A0A060VNI3_ONCMY Loading...

Kelch-like family member 22

AlphaFold DB , UniProt , Accession A0A060VNI3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene klhl22, Length 621 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.5	Very low	33	Very low	242 Å²	242	153.8 Å²	153.8	100%	1.192	87%	0.87	S	S	*	*				0	125.4	0	-85.6	174.7	174.1	0	0	106
2	A	33.6	Very low	33.2	Very low	104 Å²	104	151.2 Å²	151.2	86%	0.86	87%	0.868	S	S	*	*			trans	22.6	138.7	153.8	0	0	0	0	0	118.3
3	D	33.8	Very low	35.3	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	86%	0.855	S	S	*	*			cis	-175.3	159.4	1.4	-159.6	-2.4	0	0	0	103.3
4	D	33.6	Very low	35.3	Very low	162 Å²	162	147.3 Å²	147.3	87%	0.866	86%	0.856	S	S	*	*			trans	169.4	93.9	145.7	-88.4	-14	0	0	0	107.5
5	G	28.9	Very low	35.4	Very low	67 Å²	67	145.7 Å²	145.7	69%	0.691	86%	0.856	S	S	*	*			trans	-80.9	152.1	166.4	0	0	0	0	0	111.1
6	E	31.9	Very low	35.8	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	85%	0.852	S	S	*	*			trans	-136.2	139.1	146.7	-105.4	-176	175.9	0	0	111.1
7	L	32	Very low	36.3	Very low	160 Å²	160	142.2 Å²	142.2	84%	0.838	85%	0.851	S	S	*	*			trans	-69.2	136.7	-159.7	-76.5	126.8	0	0	0	115.2
8	N	33.9	Very low	37.1	Very low	160 Å²	160	138.7 Å²	138.7	86%	0.856	85%	0.849	S	S	*	*			trans	-86.6	134.7	155.3	-103.3	-27.5	0	0	0	110.1
9	Q	33	Very low	37.9	Very low	187 Å²	187	141.5 Å²	141.5	87%	0.874	85%	0.851	S	S	*	*			trans	-142	127.3	150.3	-76.1	-165.2	8.5	0	0	112.1
10	M	36.3	Very low	38.9	Very low	201 Å²	201	140.4 Å²	140.4	99%	0.99	85%	0.849	S	S	*	*			trans	-112.6	149.3	165	-86.8	-168.9	-171.7	0	0	110.2
11	G	33.4	Very low	39.7	Very low	70 Å²	70	137.8 Å²	137.8	72%	0.722	85%	0.851	S	S	*	*			trans	144.4	99.1	152.4	0	0	0	0	0	113
12	S	35.8	Very low	41	Very low	122 Å²	122	137.2 Å²	137.2	85%	0.853	84%	0.836	S	S	*	*				110.3	168.4	71.1	82.1	0	0	0	0	111.3
13	P	60.4	Low	43.2	Very low	108 Å²	108	139.8 Å²	139.8	70%	0.701	83%	0.83	S	S	*	*				-119.4	169.2	-109.4	36	-18.1	0	0	0	115.4
14	T	35.7	Very low	45.7	Very low	140 Å²	140	138.7 Å²	138.7	86%	0.859	83%	0.828	S	S	*	*			trans	167.4	113.6	136.5	41	0	0	0	0	112.8
15	S	36.6	Very low	48.3	Very low	124 Å²	124	140 Å²	140	87%	0.867	82%	0.823	S	S	*	*				167.8	105.4	127.8	46.6	0	0	0	0	110.5
16	S	41.4	Very low	51.2	Low	113 Å²	113	148 Å²	148	79%	0.79	83%	0.832	S	S	*	*			trans	-63.7	149.6	162.3	54.8	0	0	0	0	109.5
17	S	44.3	Very low	54.1	Low	119 Å²	119	142.5 Å²	142.5	83%	0.832	82%	0.815	S	S	*	*			cis	-171.9	134.2	26.1	40.3	0	0	0	0	108.7
18	G	50.7	Low	56.8	Low	79 Å²	79	140.8 Å²	140.8	81%	0.814	82%	0.816	S	S	*	*			trans	163.8	32.1	166.2	0	0	0	0	0	112.9
19	Q	52.7	Low	59.5	Low	191 Å²	191	136 Å²	136	89%	0.893	80%	0.798	S	S	*	*			trans	-126.9	125.3	-176.5	-77.5	-177.3	-14.4	0	0	110.7	G21	Q19-G21 PolarHBondContact O-N 3.43Å
20	C	56.7	Low	62.3	Low	120 Å²	120	133.1 Å²	133.1	81%	0.811	78%	0.784	S	S	*	*			trans	-43.1	115.7	173.2	-171.9	0	0	0	0	110.7	R22	C20-R22 PolarHBondContact O-N 3.17Å
21	G	57.4	Low	64.8	Low	86 Å²	86	127.1 Å²	127.1	89%	0.887	76%	0.762	S	S	*	*			trans	-73.6	56	-173.8	0	0	0	0	0	114.7	Q19	Q19-G21 PolarHBondContact O-N 3.43Å
22	R	58.9	Low	67.5	Low	230 Å²	230	132.6 Å²	132.6	87%	0.868	76%	0.761	S	S	*	*			trans	-119.6	114.4	168.9	-94	-179.3	172.1	165.9	-2.3	109.6	C20	C20-R22 PolarHBondContact O-N 3.17Å
23	Q	80.8	Confident	70.2	Confident	157 Å²	157	130.4 Å²	130.4	73%	0.734	75%	0.746	S	S	*	*			trans	-114	130.1	170.5	-122.3	168	-10	0	0	108.4	Y25	Q23-Y25 HydrophobicContact CB-CE2 4.15Å; Q23-Y25 PolarHBondContact OE1-OH 2.65Å
24	T	85.8	Confident	71.8	Confident	118 Å²	118	129.8 Å²	129.8	72%	0.724	74%	0.736	S	S	*	*			trans	-111	121.9	177.9	-56.7	0	0	0	0	108.9
25	Y	88.8	Confident	74.4	Confident	190 Å²	190	125.2 Å²	125.2	75%	0.745	71%	0.706	S	S	*	*			trans	-99.9	136.5	174.3	-61.1	-90.9	0	0	0	109.3	Q23	Q23-Y25 HydrophobicContact CB-CE2 4.15Å; Q23-Y25 PolarHBondContact OE1-OH 2.65Å
26	R	89.6	Confident	77.1	Confident	234 Å²	234	124.1 Å²	124.1	88%	0.883	69%	0.69	S	S	*	*			trans	-119.8	131.1	177.2	-64.3	-176.4	-179.4	-174	-0	109.1
27	S	91.1	Very high	79.5	Confident	83 Å²	83	120.6 Å²	120.6	58%	0.58	67%	0.672	S	S	*	*			trans	-106.7	118.8	175.1	175.9	0	0	0	0	109.8	A29 H30	S27-A29 VanDerWaalsContact C-N 3.28Å; S27-A29 PolarHBondContact OG-N 2.97Å; S27-H30 PolarHBondContact OG-N 3.2Å
28	C	88.5	Confident	81.9	Confident	125 Å²	125	116.6 Å²	116.6	85%	0.845	64%	0.641	S	S	*	*	S	Bend	trans	-74.6	-19.3	176.7	-55.8	0	0	0	0	112.8
29	A	91.7	Very high	83.8	Confident	60 Å²	60	116.3 Å²	116.3	50%	0.496	62%	0.618	S	S	.	*	S	Bend	trans	-85.7	-19.4	-179.1	0	0	0	0	0	113.3	S27 S31 R32 S33	S27-A29 VanDerWaalsContact C-N 3.28Å; S27-A29 PolarHBondContact OG-N 2.97Å; A29-S31 PolarHBondContact O-N 2.75Å; A29-R32 PolarHBondContact O-N 3.18Å; A29-S33 PolarHBondContact O-N 3.14Å; A29-S33 PolarHBondContact O-OG 3.15Å
30	H	92.6	Very high	85.7	Confident	125 Å²	125	109.1 Å²	109.1	58%	0.579	60%	0.595	S	S	*	*	H	α-helix	trans	-61.3	-42.4	-170.6	179.8	56.9	0	0	0	113.4	S27 S33 L34	S27-H30 PolarHBondContact OG-N 3.2Å; H30-S33 PolarHBondContact O-N 3.05Å; H30-L34 WeakPolarHBondContact O-CB 3.17Å; H30-L34 PolarHBondContact O-N 3.22Å
31	S	88.6	Confident	87.5	Confident	75 Å²	75	106 Å²	106	52%	0.524	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-45.3	179.8	48.6	0	0	0	0	112.3	A29 L34 L35	A29-S31 PolarHBondContact O-N 2.75Å; S31-L34 PolarHBondContact O-N 2.75Å; S31-L35 PolarHBondContact O-N 2.74Å
32	R	89.8	Confident	89.1	Confident	186 Å²	186	103.8 Å²	103.8	70%	0.702	54%	0.535	S	S	*	.	H	α-helix	trans	-62.8	-49.6	177.1	-174.3	177.5	-71.4	170.2	-3.7	111.3	A29 L34 L35 D36	A29-R32 PolarHBondContact O-N 3.18Å; R32-L34 PolarHBondContact O-N 3.43Å; R32-L35 PolarHBondContact O-N 3.34Å; R32-L35 VanDerWaalsContact O-N 3.12Å; R32-D36 VanDerWaalsContact O-CG 3.25Å; R32-D36 PolarHBondContact O-N 3.32Å
33	S	92.6	Very high	90.6	Very high	76 Å²	76	99.6 Å²	99.6	53%	0.531	53%	0.525	S	S	.	.	H	α-helix	trans	-62.4	-31.2	178.3	-59.4	0	0	0	0	113.2	A29 H30 G37	A29-S33 PolarHBondContact O-N 3.14Å; A29-S33 PolarHBondContact O-OG 3.15Å; H30-S33 PolarHBondContact O-N 3.05Å; S33-G37 PolarHBondContact O-N 3.17Å; S33-G37 VanDerWaalsContact O-N 3.11Å
34	L	92.7	Very high	91.1	Very high	95 Å²	95	94.5 Å²	94.5	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-66.9	-46.6	173.5	178.3	63.7	0	0	0	111.3	H30 S31 R32 G37 L38	H30-L34 WeakPolarHBondContact O-CB 3.17Å; H30-L34 PolarHBondContact O-N 3.22Å; S31-L34 PolarHBondContact O-N 2.75Å; R32-L34 PolarHBondContact O-N 3.43Å; L34-G37 PolarHBondContact O-N 3.47Å; L34-L38 HydrophobicContact CD1-CD1 4.44Å; L34-L38 HydrophobicContact CG-CD1 4.14Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 2.8Å
35	L	92	Very high	91.4	Very high	44 Å²	44	91 Å²	91	23%	0.23	50%	0.502	C	S	.	.	H	α-helix	trans	-63.2	-43.9	176.5	-74	170	0	0	0	111.8	S31 R32 G37 L38 F39 S109	S31-L35 PolarHBondContact O-N 2.74Å; R32-L35 PolarHBondContact O-N 3.34Å; R32-L35 VanDerWaalsContact O-N 3.12Å; L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 3.02Å; L35-L38 HydrophobicContact CD2-CD1 4.45Å; L35-L38 PolarHBondContact O-N 3.01Å; L35-L38 VanDerWaalsContact O-N 3.11Å; L35-F39 WeakPolarHBondContact O-CB 3.32Å; L35-F39 PolarHBondContact O-N 2.88Å; L35-S109 WeakPolarHBondContact CD1-OG 3.44Å
36	D	92.3	Very high	91.5	Very high	100 Å²	100	86.2 Å²	86.2	54%	0.535	49%	0.489	S	S	.	.	H	α-helix	trans	-56.3	-42.5	174.7	-65.5	-26.3	0	0	0	111.3	R32 G40	R32-D36 VanDerWaalsContact O-CG 3.25Å; R32-D36 PolarHBondContact O-N 3.32Å; D36-G40 PolarHBondContact O-N 3.29Å
37	G	93	Very high	91.5	Very high	40 Å²	40	81 Å²	81	41%	0.412	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-44.4	175.4	0	0	0	0	0	113	S33 L34 L35 G40 L41	S33-G37 PolarHBondContact O-N 3.17Å; S33-G37 VanDerWaalsContact O-N 3.11Å; L34-G37 PolarHBondContact O-N 3.47Å; L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 3.02Å; G37-G40 PolarHBondContact O-N 3.08Å; G37-L41 WeakPolarHBondContact O-CG 3.42Å; G37-L41 PolarHBondContact O-N 3.45Å
38	L	92.7	Very high	91.6	Very high	34 Å²	34	79.4 Å²	79.4	18%	0.178	46%	0.46	C	S	.	.	H	α-helix	trans	-64.8	-40.5	177.3	-72.2	166.7	0	0	0	112	L34 L35 G40 L41 R42 L65 Y107	L34-L38 HydrophobicContact CD1-CD1 4.44Å; L34-L38 HydrophobicContact CG-CD1 4.14Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 2.8Å; L35-L38 HydrophobicContact CD2-CD1 4.45Å; L35-L38 PolarHBondContact O-N 3.01Å; L35-L38 VanDerWaalsContact O-N 3.11Å; L38-G40 VanDerWaalsContact C-N 3.35Å; L38-L41 PolarHBondContact O-N 2.83Å; L38-R42 PolarHBondContact O-N 3.44Å; L38-L65 HydrophobicContact CD1-CD1 3.82Å; L38-L65 HydrophobicContact CD1-CD2 4.49Å; L38-Y107 HydrophobicContact CB-CD1 4.19Å
39	F	92.4	Very high	91.8	Very high	73 Å²	73	77 Å²	77	32%	0.32	44%	0.439	S	S	.	.	H	α-helix	trans	-63	-42.1	173.6	-178.2	-115.4	0	0	0	111.4	L35 L41 R42 Q43 T108	L35-F39 WeakPolarHBondContact O-CB 3.32Å; L35-F39 PolarHBondContact O-N 2.88Å; F39-L41 PolarHBondContact O-N 3.27Å; F39-R42 WeakPolarHBondContact O-CB 3.28Å; F39-R42 PolarHBondContact O-N 2.87Å; F39-Q43 HydrophobicContact CE1-CG 4.4Å; F39-Q43 HydrophobicContact CZ-CG 4.32Å; F39-Q43 PolarHBondContact O-N 2.79Å; F39-T108 HydrophobicContact CD2-CG2 3.63Å; F39-T108 HydrophobicContact CE2-CG2 3.61Å; F39-T108 HydrophobicContact CG-CG2 4.28Å; F39-T108 HydrophobicContact CZ-CG2 4.23Å
40	G	92.5	Very high	91.9	Very high	40 Å²	40	74.2 Å²	74.2	41%	0.412	42%	0.416	S	S	.	.	H	α-helix	trans	-59.4	-41.7	172.8	0	0	0	0	0	113.4	D36 G37 L38 Q43 G44	D36-G40 PolarHBondContact O-N 3.29Å; G37-G40 PolarHBondContact O-N 3.08Å; L38-G40 VanDerWaalsContact C-N 3.35Å; G40-Q43 PolarHBondContact O-N 3.49Å; G40-G44 PolarHBondContact O-N 3.43Å
41	L	93.6	Very high	92	Very high	55 Å²	55	69.6 Å²	69.6	29%	0.288	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-42.1	174.7	-70.1	172.7	0	0	0	112.1	G37 L38 F39 G44 G45 I46 L47	G37-L41 WeakPolarHBondContact O-CG 3.42Å; G37-L41 PolarHBondContact O-N 3.45Å; L38-L41 PolarHBondContact O-N 2.83Å; F39-L41 PolarHBondContact O-N 3.27Å; L41-G44 PolarHBondContact O-N 3.03Å; L41-G45 PolarHBondContact O-N 2.79Å; L41-G45 VanDerWaalsContact O-N 3.13Å; L41-I46 HydrophobicContact CD2-CB 4.23Å; L41-I46 PolarHBondContact O-N 3.31Å; L41-I46 VanDerWaalsContact O-N 3.08Å; L41-L47 HydrophobicContact CD1-CD1 4.32Å; L41-L47 HydrophobicContact CD2-CD1 4.44Å
42	R	91.8	Very high	92.2	Very high	40 Å²	40	66 Å²	66	15%	0.151	37%	0.371	C	S	.	.	H	α-helix	trans	-62.3	-46.4	176.7	-176.7	179.7	179.7	-152.6	-9.4	111.8	L38 F39 G44 G45 F48 D104 Y107	L38-R42 PolarHBondContact O-N 3.44Å; F39-R42 WeakPolarHBondContact O-CB 3.28Å; F39-R42 PolarHBondContact O-N 2.87Å; R42-G44 VanDerWaalsContact C-N 3.29Å; R42-G44 PolarHBondContact O-N 2.85Å; R42-G45 PolarHBondContact O-N 3.43Å; R42-G45 VanDerWaalsContact O-N 3.16Å; R42-F48 HydrophobicContact CB-CE1 4.4Å; R42-F48 HydrophobicContact CB-CZ 4.39Å; R42-F48 HydrophobicContact CG-CE1 4.08Å; R42-F48 HydrophobicContact CG-CZ 3.92Å; R42-D104 IonicContact CZ-OD1 3.13Å; R42-D104 IonicContact NH1-OD1 2.69Å; R42-D104 PolarHBondContact NH1-OD1 3.41Å; R42-D104 IonicContact NH2-OD1 2.73Å; R42-D104 PolarHBondContact NH2-OD1 2.8Å; R42-Y107 HydrophobicContact CB-CD1 4Å; R42-Y107 HydrophobicContact CB-CE1 3.86Å; R42-Y107 VanDerWaalsContact CD-CD2 3.49Å; R42-Y107 HydrophobicContact CG-CE1 4.34Å
43	Q	90.4	Very high	92.5	Very high	142 Å²	142	59.5 Å²	59.5	66%	0.664	35%	0.349	S	S	*	.	H	α-helix	trans	-62.8	-36.6	176.9	-72	-165.9	1.8	0	0	112.5	F39 G40 G45	F39-Q43 HydrophobicContact CE1-CG 4.4Å; F39-Q43 HydrophobicContact CZ-CG 4.32Å; F39-Q43 PolarHBondContact O-N 2.79Å; G40-Q43 PolarHBondContact O-N 3.49Å; Q43-G45 PolarHBondContact O-N 3.18Å
44	G	90.9	Very high	92.6	Very high	50 Å²	50	55.9 Å²	55.9	52%	0.515	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.8	176.9	0	0	0	0	0	114.7	G40 L41 R42 I46	G40-G44 PolarHBondContact O-N 3.43Å; L41-G44 PolarHBondContact O-N 3.03Å; R42-G44 VanDerWaalsContact C-N 3.29Å; R42-G44 PolarHBondContact O-N 2.85Å; G44-I46 VanDerWaalsContact C-N 3.31Å; G44-I46 VanDerWaalsContact O-CG1 3.31Å; G44-I46 WeakPolarHBondContact O-CG1 3.31Å; G44-I46 PolarHBondContact O-N 3.12Å
45	G	90.9	Very high	92.6	Very high	44 Å²	44	57.4 Å²	57.4	45%	0.454	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	29.7	-176.7	0	0	0	0	0	114.2	L41 R42 Q43 F48	L41-G45 PolarHBondContact O-N 2.79Å; L41-G45 VanDerWaalsContact O-N 3.13Å; R42-G45 PolarHBondContact O-N 3.43Å; R42-G45 VanDerWaalsContact O-N 3.16Å; Q43-G45 PolarHBondContact O-N 3.18Å; G45-F48 VanDerWaalsContact CA-CE2 3.5Å
46	I	91.5	Very high	92.5	Very high	90 Å²	90	58.4 Å²	58.4	46%	0.462	35%	0.35	S	S	.	.			trans	-105.9	141.7	-170	-39.7	-177.3	0	0	0	109.7	L41 G44 F48 H62	L41-I46 HydrophobicContact CD2-CB 4.23Å; L41-I46 PolarHBondContact O-N 3.31Å; L41-I46 VanDerWaalsContact O-N 3.08Å; G44-I46 VanDerWaalsContact C-N 3.31Å; G44-I46 VanDerWaalsContact O-CG1 3.31Å; G44-I46 WeakPolarHBondContact O-CG1 3.31Å; G44-I46 PolarHBondContact O-N 3.12Å; I46-F48 VanDerWaalsContact C-N 3.27Å; I46-F48 PolarHBondContact O-N 3.16Å; I46-H62 PolarHBondContact O-NE2 3.14Å
47	L	90.5	Very high	92.6	Very high	124 Å²	124	58.8 Å²	58.8	65%	0.649	35%	0.347	S	S	*	.	S	Bend	trans	66.4	13.4	173.8	-55.6	-180	0	0	0	116.5	L41 D49 H62	L41-L47 HydrophobicContact CD1-CD1 4.32Å; L41-L47 HydrophobicContact CD2-CD1 4.44Å; L47-D49 PolarHBondContact O-N 3.42Å; L47-H62 PolarHBondContact O-CD2 3Å
48	F	92.7	Very high	92.7	Very high	49 Å²	49	60.8 Å²	60.8	22%	0.215	35%	0.352	C	S	.	.			trans	-60	129.1	171	-64.8	-46.4	0	0	0	111.8	R42 G45 I46 Q60 A61 H62	R42-F48 HydrophobicContact CB-CE1 4.4Å; R42-F48 HydrophobicContact CB-CZ 4.39Å; R42-F48 HydrophobicContact CG-CE1 4.08Å; R42-F48 HydrophobicContact CG-CZ 3.92Å; G45-F48 VanDerWaalsContact CA-CE2 3.5Å; I46-F48 VanDerWaalsContact C-N 3.27Å; I46-F48 PolarHBondContact O-N 3.16Å; F48-Q60 HydrophobicContact CB-CB 4.18Å; F48-Q60 HydrophobicContact CD1-CB 4.05Å; F48-Q60 HydrophobicContact CD2-CB 3.35Å; F48-Q60 HydrophobicContact CD2-CG 4.07Å; F48-Q60 HydrophobicContact CE1-CB 4.19Å; F48-Q60 HydrophobicContact CE2-CB 3.48Å; F48-Q60 VanDerWaalsContact CE2-CB 3.48Å; F48-Q60 HydrophobicContact CE2-CG 4.32Å; F48-Q60 HydrophobicContact CG-CB 3.63Å; F48-Q60 HydrophobicContact CZ-CB 3.92Å; F48-A61 WeakPolarHBondContact CD1-O 3.36Å; F48-H62 AromaticContact CD1-CE1 3.57Å; F48-H62 AromaticContact CD1-ND1 3.89Å; F48-H62 AromaticContact CD1-NE2 3.83Å; F48-H62 AromaticContact CE1-CE1 3.57Å; F48-H62 AromaticContact CE1-ND1 3.92Å
49	D	92.2	Very high	92.9	Very high	74 Å²	74	59.7 Å²	59.7	40%	0.396	35%	0.346	S	S	.	.			trans	-124	4.6	-176.3	62.1	-5.4	0	0	0	112.5	L47 A61 H62 R63	L47-D49 PolarHBondContact O-N 3.42Å; D49-A61 PolarHBondContact N-O 3.28Å; D49-H62 VanDerWaalsContact OD1-CA 3.28Å; D49-H62 WeakPolarHBondContact OD1-CA 3.17Å; D49-R63 PolarHBondContact O-NE 3.46Å; D49-R63 WeakPolarHBondContact OD1-CG 3.49Å; D49-R63 PolarHBondContact OD1-N 2.99Å; D49-R63 WeakPolarHBondContact OD2-CB 3.43Å
50	V	93.3	Very high	93	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.4	172.9	65	0	0	0	0	111.9	L52 A61 R63 L66 F77 I89	V50-L52 HydrophobicContact CG2-CD2 4.23Å; V50-A61 HydrophobicContact CG1-CB 4.12Å; V50-A61 WeakPolarHBondContact CG1-O 3.27Å; V50-A61 PolarHBondContact N-O 3.23Å; V50-A61 PolarHBondContact O-N 3.41Å; V50-R63 HydrophobicContact CB-CG 3.71Å; V50-R63 HydrophobicContact CG1-CG 3.7Å; V50-L66 HydrophobicContact CG1-CD1 4.22Å; V50-F77 HydrophobicContact CG2-CZ 4.29Å; V50-I89 HydrophobicContact CG2-CD1 3.63Å; V50-I89 HydrophobicContact CG2-CG1 4.02Å
51	V	94.8	Very high	93.1	Very high	28 Å²	28	59.3 Å²	59.3	17%	0.17	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.6	170.4	-175.1	0	0	0	0	108.6	M53 P58 I59 Q60 T87 E88 I89	V51-M53 HydrophobicContact CG1-SD 3.97Å; V51-P58 HydrophobicContact CG1-CB 3.53Å; V51-I59 CarbonylContact C-O 3.59Å; V51-I59 WeakPolarHBondContact CA-O 3.45Å; V51-Q60 HydrophobicContact CG2-CG 4.33Å; V51-T87 PolarHBondContact N-O 2.89Å; V51-E88 HydrophobicContact CB-CG 4.2Å; V51-E88 CarbonylContact O-C 3.58Å; V51-E88 WeakPolarHBondContact O-CA 3.4Å; V51-I89 PolarHBondContact O-N 2.89Å
52	L	94.5	Very high	93.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123	172.7	-56.1	-178.2	0	0	0	109	V50 V54 P58 I59 L66 F73 I89 V91 M99 L103	V50-L52 HydrophobicContact CG2-CD2 4.23Å; L52-V54 HydrophobicContact CB-CG2 4.4Å; L52-P58 CarbonylContact O-C 3.57Å; L52-I59 HydrophobicContact CB-CB 4.45Å; L52-I59 PolarHBondContact N-O 3.44Å; L52-I59 PolarHBondContact O-N 3.04Å; L52-L66 HydrophobicContact CD1-CD1 4.02Å; L52-L66 HydrophobicContact CD2-CD1 4.4Å; L52-L66 HydrophobicContact CG-CD1 4.46Å; L52-F73 HydrophobicContact CD1-CE1 4.26Å; L52-F73 HydrophobicContact CD1-CZ 3.83Å; L52-F73 HydrophobicContact CD2-CE1 3.9Å; L52-F73 HydrophobicContact CD2-CZ 4.32Å; L52-I89 CarbonylContact C-O 3.58Å; L52-I89 WeakPolarHBondContact CA-O 3.23Å; L52-I89 HydrophobicContact CD2-CB 4.38Å; L52-V91 HydrophobicContact CB-CG2 4.27Å; L52-V91 HydrophobicContact CD2-CG2 4.12Å; L52-M99 HydrophobicContact CD1-CE 4.43Å; L52-M99 HydrophobicContact CD1-CG 4.46Å; L52-M99 HydrophobicContact CD1-SD 4.26Å; L52-L103 HydrophobicContact CD1-CD1 4.36Å
53	M	95.1	Very high	93.1	Very high	50 Å²	50	57 Å²	57	25%	0.246	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	104.5	176.5	-62.9	-58.1	-64.5	0	0	109	V51 P58 E88 I89 P90 V91	V51-M53 HydrophobicContact CG1-SD 3.97Å; M53-P58 HydrophobicContact CE-CB 4.39Å; M53-P58 HydrophobicContact SD-CB 3.68Å; M53-E88 HydrophobicContact CG-CB 4.35Å; M53-I89 PolarHBondContact N-O 2.98Å; M53-P90 WeakPolarHBondContact O-CA 3.31Å; M53-V91 PolarHBondContact O-N 3.2Å
54	V	95.1	Very high	93.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.4	-177.9	-169	0	0	0	0	108.7	L52 G56 K57 I59 V91 V94 M99	L52-V54 HydrophobicContact CB-CG2 4.4Å; V54-G56 PolarHBondContact O-N 3.32Å; V54-G56 VanDerWaalsContact O-N 3.08Å; V54-K57 PolarHBondContact N-O 3.13Å; V54-K57 WeakPolarHBondContact O-CB 3.32Å; V54-K57 PolarHBondContact O-N 3.46Å; V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG2-CD1 3.87Å; V54-V91 HydrophobicContact CG2-CB 4.23Å; V54-V94 WeakPolarHBondContact CG1-O 3.25Å; V54-M99 HydrophobicContact CG1-CB 4.41Å; V54-M99 HydrophobicContact CG2-CB 4.12Å; V54-M99 HydrophobicContact CG2-CG 3.97Å
55	E	93.3	Very high	93.2	Very high	127 Å²	127	55.2 Å²	55.2	59%	0.593	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	33.8	-174.9	-59.8	-176.4	123.8	0	0	113.6	K57 Y96	E55-K57 PolarHBondContact O-N 3.31Å; E55-Y96 PolarHBondContact OE2-N 3.03Å
56	G	89.3	Confident	93.3	Very high	65 Å²	65	53.1 Å²	53.1	67%	0.67	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	1.8	-177.5	0	0	0	0	0	115.2	V54	V54-G56 PolarHBondContact O-N 3.32Å; V54-G56 VanDerWaalsContact O-N 3.08Å
57	K	95.3	Very high	93.3	Very high	108 Å²	108	49.6 Å²	49.6	47%	0.47	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134	175.7	-63.5	173.7	-176.4	170.2	0	110.7	V54 E55 Y96	V54-K57 PolarHBondContact N-O 3.13Å; V54-K57 WeakPolarHBondContact O-CB 3.32Å; V54-K57 PolarHBondContact O-N 3.46Å; E55-K57 PolarHBondContact O-N 3.31Å; K57-Y96 HydrophobicContact CB-CD2 3.4Å; K57-Y96 VanDerWaalsContact CB-CD2 3.4Å; K57-Y96 HydrophobicContact CB-CE2 3.54Å; K57-Y96 HydrophobicContact CB-CG 4.26Å; K57-Y96 HydrophobicContact CD-CD1 4.09Å; K57-Y96 HydrophobicContact CD-CD2 3.66Å; K57-Y96 HydrophobicContact CD-CE1 4.48Å; K57-Y96 HydrophobicContact CD-CE2 4.05Å; K57-Y96 HydrophobicContact CD-CG 3.66Å; K57-Y96 HydrophobicContact CG-CD2 4.18Å; K57-Y96 HydrophobicContact CG-CE2 4.45Å
58	P	95	Very high	93.3	Very high	81 Å²	81	47.5 Å²	47.5	53%	0.526	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.2	178.6	31	-33.1	0	0	0	112.1	V51 L52 M53	V51-P58 HydrophobicContact CG1-CB 3.53Å; L52-P58 CarbonylContact O-C 3.57Å; M53-P58 HydrophobicContact CE-CB 4.39Å; M53-P58 HydrophobicContact SD-CB 3.68Å
59	I	95.3	Very high	93.3	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.062	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.9	169.7	-49.6	171.7	0	0	0	109	V51 L52 V54 Y96 M99 L103	V51-I59 CarbonylContact C-O 3.59Å; V51-I59 WeakPolarHBondContact CA-O 3.45Å; L52-I59 HydrophobicContact CB-CB 4.45Å; L52-I59 PolarHBondContact N-O 3.44Å; L52-I59 PolarHBondContact O-N 3.04Å; V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG2-CD1 3.87Å; I59-Y96 HydrophobicContact CD1-CD2 3.74Å; I59-Y96 HydrophobicContact CD1-CE2 3.7Å; I59-Y96 HydrophobicContact CG1-CD2 3.84Å; I59-Y96 HydrophobicContact CG1-CE2 3.34Å; I59-M99 HydrophobicContact CD1-CB 4.1Å; I59-M99 HydrophobicContact CD1-CG 3.87Å; I59-L103 HydrophobicContact CB-CD1 4.29Å; I59-L103 HydrophobicContact CD1-CD1 4.45Å; I59-L103 HydrophobicContact CG2-CD1 3.36Å
60	Q	94.8	Very high	93.2	Very high	105 Å²	105	44 Å²	44	49%	0.491	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.4	178.8	-57.3	-174	-59.1	0	0	111.2	F48 V51	F48-Q60 HydrophobicContact CB-CB 4.18Å; F48-Q60 HydrophobicContact CD1-CB 4.05Å; F48-Q60 HydrophobicContact CD2-CB 3.35Å; F48-Q60 HydrophobicContact CD2-CG 4.07Å; F48-Q60 HydrophobicContact CE1-CB 4.19Å; F48-Q60 HydrophobicContact CE2-CB 3.48Å; F48-Q60 VanDerWaalsContact CE2-CB 3.48Å; F48-Q60 HydrophobicContact CE2-CG 4.32Å; F48-Q60 HydrophobicContact CG-CB 3.63Å; F48-Q60 HydrophobicContact CZ-CB 3.92Å; V51-Q60 HydrophobicContact CG2-CG 4.33Å
61	A	94.8	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	177.1	-177.7	0	0	0	0	0	112.7	F48 D49 V50 L66 L103	F48-A61 WeakPolarHBondContact CD1-O 3.36Å; D49-A61 PolarHBondContact N-O 3.28Å; V50-A61 HydrophobicContact CG1-CB 4.12Å; V50-A61 WeakPolarHBondContact CG1-O 3.27Å; V50-A61 PolarHBondContact N-O 3.23Å; V50-A61 PolarHBondContact O-N 3.41Å; A61-L66 HydrophobicContact CB-CD1 3.82Å; A61-L66 HydrophobicContact CB-CG 4.39Å; A61-L103 HydrophobicContact CB-CD2 4.09Å
62	H	93.7	Very high	92.9	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.056	29%	0.285	C	S	.	.			trans	-109.1	119.7	176.2	-60.3	96.9	0	0	0	109.9	I46 L47 F48 D49 I64 L65 L66 Y107	I46-H62 PolarHBondContact O-NE2 3.14Å; L47-H62 PolarHBondContact O-CD2 3Å; F48-H62 AromaticContact CD1-CE1 3.57Å; F48-H62 AromaticContact CD1-ND1 3.89Å; F48-H62 AromaticContact CD1-NE2 3.83Å; F48-H62 AromaticContact CE1-CE1 3.57Å; F48-H62 AromaticContact CE1-ND1 3.92Å; D49-H62 VanDerWaalsContact OD1-CA 3.28Å; D49-H62 WeakPolarHBondContact OD1-CA 3.17Å; H62-I64 VanDerWaalsContact C-N 3.3Å; H62-I64 PolarHBondContact O-N 3.32Å; H62-L65 HydrophobicContact CB-CB 4.24Å; H62-L65 PolarHBondContact O-N 3.36Å; H62-L66 PolarHBondContact O-N 2.87Å; H62-L66 VanDerWaalsContact O-N 3.12Å; H62-Y107 PolarHBondContact N-OH 2.98Å; H62-Y107 VanDerWaalsContact N-OH 3.14Å; H62-Y107 AromaticContact ND1-CE1 3.55Å; H62-Y107 AromaticContact ND1-CZ 3.54Å; H62-Y107 PolarHBondContact ND1-OH 3.34Å
63	R	91.5	Very high	92.8	Very high	35 Å²	35	50.4 Å²	50.4	13%	0.132	29%	0.286	C	S	.	.	H	α-helix	trans	-55.7	-43.2	-178.6	-73.3	170.4	155.6	-102.4	-4.9	112.6	D49 V50 L65 L66 A67 F77 E83 T84 L86	D49-R63 PolarHBondContact O-NE 3.46Å; D49-R63 WeakPolarHBondContact OD1-CG 3.49Å; D49-R63 PolarHBondContact OD1-N 2.99Å; D49-R63 WeakPolarHBondContact OD2-CB 3.43Å; V50-R63 HydrophobicContact CB-CG 3.71Å; V50-R63 HydrophobicContact CG1-CG 3.7Å; R63-L65 VanDerWaalsContact C-N 3.29Å; R63-L65 PolarHBondContact O-N 3.42Å; R63-L66 PolarHBondContact O-N 3.3Å; R63-A67 VanDerWaalsContact O-CB 3.26Å; R63-A67 WeakPolarHBondContact O-CB 3.26Å; R63-A67 PolarHBondContact O-N 2.88Å; R63-F77 HydrophobicContact CB-CD2 3.87Å; R63-F77 HydrophobicContact CB-CE2 4.22Å; R63-F77 HydrophobicContact CB-CG 4.4Å; R63-F77 HydrophobicContact CG-CD2 4.01Å; R63-F77 HydrophobicContact CG-CE2 4.09Å; R63-F77 HydrophobicContact CG-CG 4.31Å; R63-F77 HydrophobicContact CG-CZ 4.47Å; R63-E83 PolarHBondContact NH2-O 3.11Å; R63-T84 PolarHBondContact NH1-O 3.3Å; R63-T84 PolarHBondContact NH2-O 3.11Å; R63-L86 PolarHBondContact NH2-O 2.81Å
64	I	90.9	Very high	92.5	Very high	131 Å²	131	54.8 Å²	54.8	67%	0.672	30%	0.3	S	S	*	.	H	α-helix	trans	-63.2	-38.4	-177.5	-167.2	166.2	0	0	0	111.7	H62 A68	H62-I64 VanDerWaalsContact C-N 3.3Å; H62-I64 PolarHBondContact O-N 3.32Å; I64-A68 WeakPolarHBondContact O-CB 3.42Å; I64-A68 PolarHBondContact O-N 3.08Å
65	L	92.5	Very high	92.2	Very high	22 Å²	22	56.5 Å²	56.5	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-73	-44.8	-179.3	-168.3	65.1	0	0	0	110.7	L38 H62 R63 A67 A68 A69 I106 Y107	L38-L65 HydrophobicContact CD1-CD1 3.82Å; L38-L65 HydrophobicContact CD1-CD2 4.49Å; H62-L65 HydrophobicContact CB-CB 4.24Å; H62-L65 PolarHBondContact O-N 3.36Å; R63-L65 VanDerWaalsContact C-N 3.29Å; R63-L65 PolarHBondContact O-N 3.42Å; L65-A67 PolarHBondContact O-N 2.86Å; L65-A68 PolarHBondContact O-N 2.96Å; L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 2.95Å; L65-I106 HydrophobicContact CD1-CG2 4.4Å; L65-I106 HydrophobicContact CD2-CG2 3.65Å; L65-I106 HydrophobicContact CG-CG2 3.53Å; L65-Y107 HydrophobicContact CD2-CD1 3.48Å; L65-Y107 VanDerWaalsContact CD2-CD1 3.48Å; L65-Y107 HydrophobicContact CD2-CD2 3.93Å; L65-Y107 HydrophobicContact CD2-CE1 3.29Å; L65-Y107 HydrophobicContact CD2-CE2 3.76Å; L65-Y107 HydrophobicContact CD2-CG 3.8Å; L65-Y107 VanDerWaalsContact CD2-CZ 3.44Å
66	L	92.9	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-48.7	173.5	-74.3	178.5	0	0	0	111.9	V50 L52 A61 H62 R63 A68 A69 C70 F73 F77 L103 I106	V50-L66 HydrophobicContact CG1-CD1 4.22Å; L52-L66 HydrophobicContact CD1-CD1 4.02Å; L52-L66 HydrophobicContact CD2-CD1 4.4Å; L52-L66 HydrophobicContact CG-CD1 4.46Å; A61-L66 HydrophobicContact CB-CD1 3.82Å; A61-L66 HydrophobicContact CB-CG 4.39Å; H62-L66 PolarHBondContact O-N 2.87Å; H62-L66 VanDerWaalsContact O-N 3.12Å; R63-L66 PolarHBondContact O-N 3.3Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.33Å; L66-A69 PolarHBondContact O-N 3.38Å; L66-C70 VanDerWaalsContact O-CB 3.3Å; L66-C70 WeakPolarHBondContact O-CB 3.48Å; L66-C70 PolarHBondContact O-N 2.95Å; L66-F73 HydrophobicContact CB-CB 3.89Å; L66-F73 HydrophobicContact CB-CD2 3.99Å; L66-F73 HydrophobicContact CB-CG 4Å; L66-F73 HydrophobicContact CD1-CD2 4.4Å; L66-F73 HydrophobicContact CD1-CG 4.43Å; L66-F73 HydrophobicContact CD2-CD2 3.75Å; L66-F73 HydrophobicContact CD2-CE2 3.88Å; L66-F73 HydrophobicContact CD2-CG 4.49Å; L66-F73 HydrophobicContact CG-CD2 4.27Å; L66-F77 HydrophobicContact CB-CD2 4.47Å; L66-F77 HydrophobicContact CB-CE2 3.85Å; L66-F77 HydrophobicContact CD1-CE2 3.88Å; L66-F77 HydrophobicContact CD1-CZ 4.3Å; L66-L103 HydrophobicContact CD2-CD2 3.52Å; L66-L103 HydrophobicContact CG-CD2 4.39Å; L66-I106 HydrophobicContact CD2-CD1 3.86Å
67	A	91.9	Very high	92	Very high	17 Å²	17	49 Å²	49	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-69	-24.7	178.7	0	0	0	0	0	113.7	R63 L65 R74 F77	R63-A67 VanDerWaalsContact O-CB 3.26Å; R63-A67 WeakPolarHBondContact O-CB 3.26Å; R63-A67 PolarHBondContact O-N 2.88Å; L65-A67 PolarHBondContact O-N 2.86Å; A67-R74 HydrophobicContact CB-CB 4.39Å; A67-R74 WeakPolarHBondContact O-CB 3.44Å; A67-R74 WeakPolarHBondContact O-CG 3.44Å; A67-F77 HydrophobicContact CB-CD2 4.29Å
68	A	91.4	Very high	91.4	Very high	79 Å²	79	47.6 Å²	47.6	65%	0.653	27%	0.273	S	S	*	.	H	α-helix	trans	-79.5	-34.6	175.9	0	0	0	0	0	112.4	I64 L65 L66	I64-A68 WeakPolarHBondContact O-CB 3.42Å; I64-A68 PolarHBondContact O-N 3.08Å; L65-A68 PolarHBondContact O-N 2.96Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.33Å
69	A	91.1	Very high	90.5	Very high	47 Å²	47	46.4 Å²	46.4	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-94.9	-17.2	-174.9	0	0	0	0	0	114.2	L65 L66 I106	L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 2.95Å; L66-A69 PolarHBondContact O-N 3.38Å; A69-I106 HydrophobicContact CB-CD1 4.32Å; A69-I106 HydrophobicContact CB-CG1 3.95Å; A69-I106 HydrophobicContact CB-CG2 3.93Å
70	C	91.9	Very high	89.4	Confident	2 Å²	2	49 Å²	49	1%	0.014	31%	0.306	C	S	.	.			trans	-143.7	122.1	-167.6	158.1	0	0	0	0	111.6	L66 Y72 F73 R74 V128 I130	L66-C70 VanDerWaalsContact O-CB 3.3Å; L66-C70 WeakPolarHBondContact O-CB 3.48Å; L66-C70 PolarHBondContact O-N 2.95Å; C70-Y72 PolarHBondContact O-N 2.96Å; C70-F73 HydrophobicContact CB-CB 4.46Å; C70-F73 HydrophobicContact CB-CD2 3.92Å; C70-F73 PolarHBondContact O-N 3.22Å; C70-F73 WeakPolarHBondContact SG-CD2 3.47Å; C70-F73 PolarHBondContact SG-N 3.39Å; C70-F73 VanDerWaalsContact SG-N 3.36Å; C70-R74 WeakPolarHBondContact O-CB 3.17Å; C70-R74 PolarHBondContact O-N 3.49Å; C70-V128 PolarHBondContact SG-O 2.93Å; C70-I130 HydrophobicContact CB-CD1 4.37Å; C70-I130 HydrophobicContact CB-CG1 4.07Å
71	D	89.8	Confident	88.6	Confident	90 Å²	90	48.6 Å²	48.6	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-69.9	-31.2	-176.4	-80.4	-28.1	0	0	0	113.2	R74 G75 Q129	D71-R74 WeakPolarHBondContact O-CB 3.48Å; D71-R74 PolarHBondContact O-N 2.96Å; D71-R74 IonicContact OD1-NH1 3.12Å; D71-G75 PolarHBondContact O-N 2.73Å; D71-Q129 HydrophobicContact CB-CB 4.49Å
72	Y	91	Very high	87.5	Confident	73 Å²	73	59 Å²	59	29%	0.286	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-51.3	171.3	173.8	-95.9	0	0	0	111.7	C70 R74 G75 M76 V128	C70-Y72 PolarHBondContact O-N 2.96Å; Y72-R74 VanDerWaalsContact C-N 3.34Å; Y72-G75 PolarHBondContact O-N 3.21Å; Y72-M76 HydrophobicContact CD1-CE 4.3Å; Y72-M76 HydrophobicContact CE1-CE 3.39Å; Y72-M76 HydrophobicContact CE2-CE 4.37Å; Y72-M76 VanDerWaalsContact CZ-CE 3.43Å; Y72-M76 WeakPolarHBondContact O-CB 3.42Å; Y72-M76 PolarHBondContact O-N 2.82Å; Y72-M76 VanDerWaalsContact OH-CE 3.27Å; Y72-M76 WeakPolarHBondContact OH-CE 3.42Å; Y72-V128 VanDerWaalsContact CB-O 3.31Å; Y72-V128 WeakPolarHBondContact CB-O 3.48Å; Y72-V128 HydrophobicContact CD1-CG1 4.3Å
73	F	91.6	Very high	86.6	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-72.1	-29.5	177.9	-70.5	-57.1	0	0	0	112.5	L52 L66 C70 M76 F77 V91 M99 V128	L52-F73 HydrophobicContact CD1-CE1 4.26Å; L52-F73 HydrophobicContact CD1-CZ 3.83Å; L52-F73 HydrophobicContact CD2-CE1 3.9Å; L52-F73 HydrophobicContact CD2-CZ 4.32Å; L66-F73 HydrophobicContact CB-CB 3.89Å; L66-F73 HydrophobicContact CB-CD2 3.99Å; L66-F73 HydrophobicContact CB-CG 4Å; L66-F73 HydrophobicContact CD1-CD2 4.4Å; L66-F73 HydrophobicContact CD1-CG 4.43Å; L66-F73 HydrophobicContact CD2-CD2 3.75Å; L66-F73 HydrophobicContact CD2-CE2 3.88Å; L66-F73 HydrophobicContact CD2-CG 4.49Å; L66-F73 HydrophobicContact CG-CD2 4.27Å; C70-F73 HydrophobicContact CB-CB 4.46Å; C70-F73 HydrophobicContact CB-CD2 3.92Å; C70-F73 PolarHBondContact O-N 3.22Å; C70-F73 WeakPolarHBondContact SG-CD2 3.47Å; C70-F73 PolarHBondContact SG-N 3.39Å; C70-F73 VanDerWaalsContact SG-N 3.36Å; F73-M76 HydrophobicContact CD1-SD 4.22Å; F73-M76 PolarHBondContact O-N 3.49Å; F73-F77 HydrophobicContact CB-CD2 4.15Å; F73-F77 HydrophobicContact CB-CE2 3.84Å; F73-F77 HydrophobicContact CB-CZ 4.4Å; F73-F77 HydrophobicContact CD1-CE1 4.44Å; F73-F77 AromaticContact CD1-CE2 3.93Å; F73-F77 HydrophobicContact CD1-CE2 3.93Å; F73-F77 AromaticContact CD1-CZ 3.68Å; F73-F77 HydrophobicContact CD1-CZ 3.68Å; F73-F77 HydrophobicContact CE1-CZ 4.39Å; F73-F77 HydrophobicContact CG-CE2 4.13Å; F73-F77 HydrophobicContact CG-CZ 4.35Å; F73-F77 WeakPolarHBondContact O-CB 3.38Å; F73-F77 WeakPolarHBondContact O-CD2 3.5Å; F73-F77 WeakPolarHBondContact O-CG 3.46Å; F73-F77 PolarHBondContact O-N 2.96Å; F73-V91 HydrophobicContact CE1-CG2 4.33Å; F73-V91 HydrophobicContact CZ-CG2 4.43Å; F73-M99 HydrophobicContact CE2-CE 4.34Å; F73-M99 HydrophobicContact CZ-CE 3.83Å; F73-M99 HydrophobicContact CZ-SD 4.42Å; F73-V128 HydrophobicContact CE2-CG1 4.21Å; F73-V128 HydrophobicContact CZ-CG1 4.5Å
74	R	90.4	Very high	85.8	Confident	143 Å²	143	62.3 Å²	62.3	54%	0.54	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-49.1	172	-166.2	179.8	-166	160.6	7.5	111.4	A67 C70 D71 Y72 M76 F77 A78	A67-R74 HydrophobicContact CB-CB 4.39Å; A67-R74 WeakPolarHBondContact O-CB 3.44Å; A67-R74 WeakPolarHBondContact O-CG 3.44Å; C70-R74 WeakPolarHBondContact O-CB 3.17Å; C70-R74 PolarHBondContact O-N 3.49Å; D71-R74 WeakPolarHBondContact O-CB 3.48Å; D71-R74 PolarHBondContact O-N 2.96Å; D71-R74 IonicContact OD1-NH1 3.12Å; Y72-R74 VanDerWaalsContact C-N 3.34Å; R74-M76 VanDerWaalsContact C-N 3.28Å; R74-M76 PolarHBondContact O-N 2.75Å; R74-F77 PolarHBondContact O-N 2.69Å; R74-A78 WeakPolarHBondContact O-CA 3.3Å; R74-A78 VanDerWaalsContact O-CB 3.32Å; R74-A78 WeakPolarHBondContact O-CB 3.36Å; R74-A78 PolarHBondContact O-N 3.12Å
75	G	88.2	Confident	85.1	Confident	35 Å²	35	64.8 Å²	64.8	36%	0.361	37%	0.374	S	S	.	.	H	α-helix	trans	-58.9	-42	173.7	0	0	0	0	0	111.6	D71 Y72 G79	D71-G75 PolarHBondContact O-N 2.73Å; Y72-G75 PolarHBondContact O-N 3.21Å; G75-G79 WeakPolarHBondContact O-CA 3.34Å; G75-G79 PolarHBondContact O-N 3.05Å
76	M	88.5	Confident	84.7	Confident	16 Å²	16	67.6 Å²	67.6	8%	0.079	39%	0.389	C	S	.	.	H	α-helix	trans	-65	-45.8	179.4	-168	178.5	-71.5	0	0	114.2	Y72 F73 R74 E83 I89	Y72-M76 HydrophobicContact CD1-CE 4.3Å; Y72-M76 HydrophobicContact CE1-CE 3.39Å; Y72-M76 HydrophobicContact CE2-CE 4.37Å; Y72-M76 VanDerWaalsContact CZ-CE 3.43Å; Y72-M76 WeakPolarHBondContact O-CB 3.42Å; Y72-M76 PolarHBondContact O-N 2.82Å; Y72-M76 VanDerWaalsContact OH-CE 3.27Å; Y72-M76 WeakPolarHBondContact OH-CE 3.42Å; F73-M76 HydrophobicContact CD1-SD 4.22Å; F73-M76 PolarHBondContact O-N 3.49Å; R74-M76 VanDerWaalsContact C-N 3.28Å; R74-M76 PolarHBondContact O-N 2.75Å; M76-E83 HydrophobicContact CG-CB 3.55Å; M76-E83 HydrophobicContact CG-CG 4.02Å; M76-E83 HydrophobicContact SD-CB 4.17Å; M76-E83 HydrophobicContact SD-CG 4.28Å; M76-I89 HydrophobicContact CE-CG2 4.35Å; M76-I89 HydrophobicContact SD-CD1 4.2Å; M76-I89 HydrophobicContact SD-CG2 3.56Å; M76-I89 VanDerWaalsContact SD-CG2 3.56Å
77	F	88.8	Confident	84.3	Confident	19 Å²	19	72.4 Å²	72.4	8%	0.083	42%	0.419	C	S	.	.	H	α-helix	trans	-95.9	-25.5	-171.3	-57.4	-25.7	0	0	0	113.9	V50 R63 L66 A67 F73 R74 T84 I89	V50-F77 HydrophobicContact CG2-CZ 4.29Å; R63-F77 HydrophobicContact CB-CD2 3.87Å; R63-F77 HydrophobicContact CB-CE2 4.22Å; R63-F77 HydrophobicContact CB-CG 4.4Å; R63-F77 HydrophobicContact CG-CD2 4.01Å; R63-F77 HydrophobicContact CG-CE2 4.09Å; R63-F77 HydrophobicContact CG-CG 4.31Å; R63-F77 HydrophobicContact CG-CZ 4.47Å; L66-F77 HydrophobicContact CB-CD2 4.47Å; L66-F77 HydrophobicContact CB-CE2 3.85Å; L66-F77 HydrophobicContact CD1-CE2 3.88Å; L66-F77 HydrophobicContact CD1-CZ 4.3Å; A67-F77 HydrophobicContact CB-CD2 4.29Å; F73-F77 HydrophobicContact CB-CD2 4.15Å; F73-F77 HydrophobicContact CB-CE2 3.84Å; F73-F77 HydrophobicContact CB-CZ 4.4Å; F73-F77 HydrophobicContact CD1-CE1 4.44Å; F73-F77 AromaticContact CD1-CE2 3.93Å; F73-F77 HydrophobicContact CD1-CE2 3.93Å; F73-F77 AromaticContact CD1-CZ 3.68Å; F73-F77 HydrophobicContact CD1-CZ 3.68Å; F73-F77 HydrophobicContact CE1-CZ 4.39Å; F73-F77 HydrophobicContact CG-CE2 4.13Å; F73-F77 HydrophobicContact CG-CZ 4.35Å; F73-F77 WeakPolarHBondContact O-CB 3.38Å; F73-F77 WeakPolarHBondContact O-CD2 3.5Å; F73-F77 WeakPolarHBondContact O-CG 3.46Å; F73-F77 PolarHBondContact O-N 2.96Å; R74-F77 PolarHBondContact O-N 2.69Å; F77-T84 WeakPolarHBondContact O-CG2 3.35Å; F77-I89 HydrophobicContact CD1-CD1 4.23Å; F77-I89 HydrophobicContact CE1-CD1 3.34Å; F77-I89 HydrophobicContact CZ-CD1 4.06Å
78	A	83.2	Confident	84.3	Confident	79 Å²	79	77.4 Å²	77.4	65%	0.653	44%	0.439	S	S	*	.	H	α-helix	trans	-114.5	-7.3	-178.3	0	0	0	0	0	113.5	R74	R74-A78 WeakPolarHBondContact O-CA 3.3Å; R74-A78 VanDerWaalsContact O-CB 3.32Å; R74-A78 WeakPolarHBondContact O-CB 3.36Å; R74-A78 PolarHBondContact O-N 3.12Å
79	G	76.9	Confident	84.3	Confident	55 Å²	55	73.7 Å²	73.7	57%	0.567	41%	0.409	S	S	*	.	S	Bend	trans	-87.4	3	-178.9	0	0	0	0	0	115.8	G75	G75-G79 WeakPolarHBondContact O-CA 3.34Å; G75-G79 PolarHBondContact O-N 3.05Å
80	G	71.3	Confident	84.3	Confident	68 Å²	68	74.7 Å²	74.7	70%	0.701	41%	0.411	S	S	*	.			trans	78.7	18.3	178.2	0	0	0	0	0	115.1
81	L	78	Confident	84.3	Confident	95 Å²	95	74.8 Å²	74.8	50%	0.497	41%	0.412	S	S	.	.			trans	-72	162.4	174.8	-68.9	171.4	0	0	0	111.6	E83 T84	L81-E83 VanDerWaalsContact CB-OE2 3.32Å; L81-E83 WeakPolarHBondContact CB-OE2 3.34Å; L81-E83 PolarHBondContact O-N 3.29Å; L81-T84 PolarHBondContact N-OG1 2.95Å; L81-T84 WeakPolarHBondContact O-CB 3.49Å; L81-T84 PolarHBondContact O-N 3.26Å; L81-T84 PolarHBondContact O-OG1 2.95Å
82	R	71.3	Confident	84.3	Confident	220 Å²	220	77.5 Å²	77.5	83%	0.83	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-59.6	-32.5	-177.6	-77.2	177.2	66.5	170.9	-1.4	112.2	T84 Q85	R82-T84 PolarHBondContact O-N 3.34Å; R82-T84 VanDerWaalsContact O-N 3.14Å; R82-Q85 PolarHBondContact O-N 2.81Å; R82-Q85 VanDerWaalsContact O-N 3.15Å
83	E	75.1	Confident	84.1	Confident	65 Å²	65	77.1 Å²	77.1	30%	0.304	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-57.7	-21.1	176	-66.8	75.9	-172.1	0	0	112	R63 M76 L81 Q85 L86 I89	R63-E83 PolarHBondContact NH2-O 3.11Å; M76-E83 HydrophobicContact CG-CB 3.55Å; M76-E83 HydrophobicContact CG-CG 4.02Å; M76-E83 HydrophobicContact SD-CB 4.17Å; M76-E83 HydrophobicContact SD-CG 4.28Å; L81-E83 VanDerWaalsContact CB-OE2 3.32Å; L81-E83 WeakPolarHBondContact CB-OE2 3.34Å; L81-E83 PolarHBondContact O-N 3.29Å; E83-Q85 PolarHBondContact O-N 2.88Å; E83-L86 HydrophobicContact CG-CD1 4.5Å; E83-L86 PolarHBondContact O-N 3.44Å; E83-I89 HydrophobicContact CB-CD1 4.32Å
84	T	74.7	Confident	84.2	Confident	50 Å²	50	77.6 Å²	77.6	31%	0.307	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-57.2	-31.4	174.5	-48.5	0	0	0	0	112.2	R63 F77 L81 R82	R63-T84 PolarHBondContact NH1-O 3.3Å; R63-T84 PolarHBondContact NH2-O 3.11Å; F77-T84 WeakPolarHBondContact O-CG2 3.35Å; L81-T84 PolarHBondContact N-OG1 2.95Å; L81-T84 WeakPolarHBondContact O-CB 3.49Å; L81-T84 PolarHBondContact O-N 3.26Å; L81-T84 PolarHBondContact O-OG1 2.95Å; R82-T84 PolarHBondContact O-N 3.34Å; R82-T84 VanDerWaalsContact O-N 3.14Å
85	Q	75.9	Confident	84.4	Confident	183 Å²	183	72.7 Å²	72.7	86%	0.855	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-104.9	1.5	-179.2	-59.7	-153.4	-6.7	0	0	114.4	R82 E83	R82-Q85 PolarHBondContact O-N 2.81Å; R82-Q85 VanDerWaalsContact O-N 3.15Å; E83-Q85 PolarHBondContact O-N 2.88Å
86	L	84.1	Confident	84.7	Confident	81 Å²	81	74.4 Å²	74.4	42%	0.424	43%	0.425	S	S	.	.			trans	-89.6	136.7	179.9	-63.7	179.2	0	0	0	111.3	R63 E83 I89	R63-L86 PolarHBondContact NH2-O 2.81Å; E83-L86 HydrophobicContact CG-CD1 4.5Å; E83-L86 PolarHBondContact O-N 3.44Å; L86-I89 HydrophobicContact CB-CG1 4.21Å
87	T	85.4	Confident	85	Confident	102 Å²	102	77.1 Å²	77.1	63%	0.626	44%	0.442	S	S	*	.	S	Bend	trans	-84.5	-29.6	173.5	50.3	0	0	0	0	112.2	V51	V51-T87 PolarHBondContact N-O 2.89Å
88	E	92.4	Very high	85.4	Confident	122 Å²	122	76.2 Å²	76.2	57%	0.57	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.8	176.6	-67.3	-179.6	-174.7	0	0	109.7	V51 M53	V51-E88 HydrophobicContact CB-CG 4.2Å; V51-E88 CarbonylContact O-C 3.58Å; V51-E88 WeakPolarHBondContact O-CA 3.4Å; M53-E88 HydrophobicContact CG-CB 4.35Å
89	I	91	Very high	86	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116	-171.6	-59.6	-175.8	0	0	0	109.5	V50 V51 L52 M53 M76 F77 E83 L86 V91	V50-I89 HydrophobicContact CG2-CD1 3.63Å; V50-I89 HydrophobicContact CG2-CG1 4.02Å; V51-I89 PolarHBondContact O-N 2.89Å; L52-I89 CarbonylContact C-O 3.58Å; L52-I89 WeakPolarHBondContact CA-O 3.23Å; L52-I89 HydrophobicContact CD2-CB 4.38Å; M53-I89 PolarHBondContact N-O 2.98Å; M76-I89 HydrophobicContact CE-CG2 4.35Å; M76-I89 HydrophobicContact SD-CD1 4.2Å; M76-I89 HydrophobicContact SD-CG2 3.56Å; M76-I89 VanDerWaalsContact SD-CG2 3.56Å; F77-I89 HydrophobicContact CD1-CD1 4.23Å; F77-I89 HydrophobicContact CE1-CD1 3.34Å; F77-I89 HydrophobicContact CZ-CD1 4.06Å; E83-I89 HydrophobicContact CB-CD1 4.32Å; L86-I89 HydrophobicContact CB-CG1 4.21Å; I89-V91 PolarHBondContact O-N 3.32Å
90	P	90.6	Very high	86.9	Confident	68 Å²	68	71.4 Å²	71.4	44%	0.442	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.8	175	29.9	-32.6	0	0	0	110.4	M53	M53-P90 WeakPolarHBondContact O-CA 3.31Å
91	V	91	Very high	88	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.024	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.3	169.5	-173.5	0	0	0	0	108	L52 M53 V54 F73 I89 V94 M99	L52-V91 HydrophobicContact CB-CG2 4.27Å; L52-V91 HydrophobicContact CD2-CG2 4.12Å; M53-V91 PolarHBondContact O-N 3.2Å; V54-V91 HydrophobicContact CG2-CB 4.23Å; F73-V91 HydrophobicContact CE1-CG2 4.33Å; F73-V91 HydrophobicContact CZ-CG2 4.43Å; I89-V91 PolarHBondContact O-N 3.32Å; V91-V94 HydrophobicContact CG1-CG2 4.26Å; V91-M99 HydrophobicContact CB-CE 4.22Å; V91-M99 HydrophobicContact CG1-CE 3.66Å; V91-M99 HydrophobicContact CG2-CE 4.19Å
92	H	89.8	Confident	88.9	Confident	146 Å²	146	65.4 Å²	65.4	68%	0.676	34%	0.34	S	S	*	.			trans	-100.9	151.1	-178.4	-61.2	-58	0	0	0	110.7	L127	H92-L127 VanDerWaalsContact O-CD2 3.23Å; H92-L127 WeakPolarHBondContact O-CD2 3.23Å
93	G	87.5	Confident	90	Very high	66 Å²	66	55 Å²	55	68%	0.68	30%	0.301	S	S	*	.	S	Bend	trans	80.9	10.4	175.3	0	0	0	0	0	115.4
94	V	93.9	Very high	90.9	Very high	12 Å²	12	54.7 Å²	54.7	7%	0.073	30%	0.302	C	S	.	.			trans	-130.7	141.3	178.8	-176.8	0	0	0	0	109.8	V54 V91 A98 M99 A124 L127	V54-V94 WeakPolarHBondContact CG1-O 3.25Å; V91-V94 HydrophobicContact CG1-CG2 4.26Å; V94-A98 HydrophobicContact CG1-CB 4.17Å; V94-M99 HydrophobicContact CG1-CB 3.88Å; V94-M99 HydrophobicContact CG1-CE 4.42Å; V94-A124 HydrophobicContact CB-CB 4.39Å; V94-A124 HydrophobicContact CG1-CB 3.45Å; V94-A124 VanDerWaalsContact CG1-CB 3.45Å; V94-A124 HydrophobicContact CG2-CB 4.15Å; V94-L127 HydrophobicContact CG2-CD2 3.43Å; V94-L127 VanDerWaalsContact CG2-CD2 3.43Å
95	T	95.1	Very high	92	Very high	39 Å²	39	53 Å²	53	24%	0.239	29%	0.29	C	S	.	.			trans	-78.3	152.5	173.9	67.8	0	0	0	0	110.7	T97 A98 M99 E120	T95-T97 PolarHBondContact O-N 3.07Å; T95-A98 PolarHBondContact O-N 3.02Å; T95-A98 VanDerWaalsContact OG1-CB 3.23Å; T95-A98 WeakPolarHBondContact OG1-CB 3.44Å; T95-A98 PolarHBondContact OG1-N 2.93Å; T95-M99 PolarHBondContact O-N 3Å; T95-E120 WeakPolarHBondContact CB-OE2 3.26Å; T95-E120 HydrophobicContact CG2-CB 4.35Å; T95-E120 WeakPolarHBondContact CG2-OE2 3.16Å; T95-E120 PolarHBondContact OG1-OE2 3.43Å
96	Y	94.9	Very high	92.9	Very high	72 Å²	72	45 Å²	45	28%	0.282	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-39.1	177.2	177.4	-91	0	0	0	112.3	E55 K57 I59 T100	E55-Y96 PolarHBondContact OE2-N 3.03Å; K57-Y96 HydrophobicContact CB-CD2 3.4Å; K57-Y96 VanDerWaalsContact CB-CD2 3.4Å; K57-Y96 HydrophobicContact CB-CE2 3.54Å; K57-Y96 HydrophobicContact CB-CG 4.26Å; K57-Y96 HydrophobicContact CD-CD1 4.09Å; K57-Y96 HydrophobicContact CD-CD2 3.66Å; K57-Y96 HydrophobicContact CD-CE1 4.48Å; K57-Y96 HydrophobicContact CD-CE2 4.05Å; K57-Y96 HydrophobicContact CD-CG 3.66Å; K57-Y96 HydrophobicContact CG-CD2 4.18Å; K57-Y96 HydrophobicContact CG-CE2 4.45Å; I59-Y96 HydrophobicContact CD1-CD2 3.74Å; I59-Y96 HydrophobicContact CD1-CE2 3.7Å; I59-Y96 HydrophobicContact CG1-CD2 3.84Å; I59-Y96 HydrophobicContact CG1-CE2 3.34Å; Y96-T100 WeakPolarHBondContact O-CB 3.43Å; Y96-T100 PolarHBondContact O-N 3.43Å; Y96-T100 PolarHBondContact O-OG1 3.5Å
97	T	94.5	Very high	93.3	Very high	72 Å²	72	41.1 Å²	41.1	44%	0.442	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-49.7	179.8	-47.4	0	0	0	0	111.3	T95 M99 T100 K101 E120	T95-T97 PolarHBondContact O-N 3.07Å; T97-M99 PolarHBondContact O-N 2.94Å; T97-T100 PolarHBondContact O-N 2.93Å; T97-K101 PolarHBondContact O-N 3.3Å; T97-E120 WeakPolarHBondContact CB-OE1 3.43Å; T97-E120 WeakPolarHBondContact CG2-OE1 3.3Å
98	A	96.3	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-46.7	179.3	0	0	0	0	0	111.7	V94 T95 T100 K101 L102 E120 V121 A124	V94-A98 HydrophobicContact CG1-CB 4.17Å; T95-A98 PolarHBondContact O-N 3.02Å; T95-A98 VanDerWaalsContact OG1-CB 3.23Å; T95-A98 WeakPolarHBondContact OG1-CB 3.44Å; T95-A98 PolarHBondContact OG1-N 2.93Å; A98-T100 VanDerWaalsContact C-N 3.27Å; A98-T100 PolarHBondContact O-N 3.33Å; A98-K101 PolarHBondContact O-N 2.75Å; A98-L102 WeakPolarHBondContact O-CG 3.23Å; A98-L102 PolarHBondContact O-N 3.37Å; A98-E120 HydrophobicContact CB-CB 4.17Å; A98-E120 HydrophobicContact CB-CG 4.19Å; A98-E120 WeakPolarHBondContact CB-O 3.41Å; A98-V121 HydrophobicContact CB-CG2 4.33Å; A98-A124 HydrophobicContact CB-CB 3.71Å
99	M	95.8	Very high	93.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-36.6	177.3	-175.9	60.6	84.3	0	0	112	L52 V54 I59 F73 V91 V94 T95 T97 L102 L103 V128	L52-M99 HydrophobicContact CD1-CE 4.43Å; L52-M99 HydrophobicContact CD1-CG 4.46Å; L52-M99 HydrophobicContact CD1-SD 4.26Å; V54-M99 HydrophobicContact CG1-CB 4.41Å; V54-M99 HydrophobicContact CG2-CB 4.12Å; V54-M99 HydrophobicContact CG2-CG 3.97Å; I59-M99 HydrophobicContact CD1-CB 4.1Å; I59-M99 HydrophobicContact CD1-CG 3.87Å; F73-M99 HydrophobicContact CE2-CE 4.34Å; F73-M99 HydrophobicContact CZ-CE 3.83Å; F73-M99 HydrophobicContact CZ-SD 4.42Å; V91-M99 HydrophobicContact CB-CE 4.22Å; V91-M99 HydrophobicContact CG1-CE 3.66Å; V91-M99 HydrophobicContact CG2-CE 4.19Å; V94-M99 HydrophobicContact CG1-CB 3.88Å; V94-M99 HydrophobicContact CG1-CE 4.42Å; T95-M99 PolarHBondContact O-N 3Å; T97-M99 PolarHBondContact O-N 2.94Å; M99-L102 PolarHBondContact O-N 3.33Å; M99-L103 HydrophobicContact CG-CD1 4.15Å; M99-L103 WeakPolarHBondContact O-CB 3.42Å; M99-L103 WeakPolarHBondContact O-CG 3.25Å; M99-L103 PolarHBondContact O-N 3.34Å; M99-V128 HydrophobicContact CE-CG1 4.16Å
100	T	95.3	Very high	93.9	Very high	31 Å²	31	43 Å²	43	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-46.5	176.8	-57.6	0	0	0	0	111.1	Y96 T97 A98 L102 L103 D104	Y96-T100 WeakPolarHBondContact O-CB 3.43Å; Y96-T100 PolarHBondContact O-N 3.43Å; Y96-T100 PolarHBondContact O-OG1 3.5Å; T97-T100 PolarHBondContact O-N 2.93Å; A98-T100 VanDerWaalsContact C-N 3.27Å; A98-T100 PolarHBondContact O-N 3.33Å; T100-L102 PolarHBondContact O-N 3.05Å; T100-L103 WeakPolarHBondContact O-CB 3.5Å; T100-L103 PolarHBondContact O-N 3.23Å; T100-D104 PolarHBondContact O-N 3.41Å
101	K	96.3	Very high	94.1	Very high	37 Å²	37	41.6 Å²	41.6	16%	0.161	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-40.1	175.8	-78.6	-178.8	173.8	-82.4	0	112.7	T97 A98 D104 F105 L111 E112 N117 V121	T97-K101 PolarHBondContact O-N 3.3Å; A98-K101 PolarHBondContact O-N 2.75Å; K101-D104 PolarHBondContact O-N 2.84Å; K101-F105 PolarHBondContact O-N 3.03Å; K101-L111 HydrophobicContact CB-CD1 4.07Å; K101-E112 PolarHBondContact NZ-O 2.94Å; K101-N117 WeakPolarHBondContact CE-ND2 3.45Å; K101-N117 PolarHBondContact NZ-ND2 2.81Å; K101-V121 HydrophobicContact CB-CG2 4.39Å; K101-V121 HydrophobicContact CD-CG2 3.89Å
102	L	96.6	Very high	94.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-41.9	174.9	-67.9	-178.4	0	0	0	112	A98 M99 T100 F105 I106 V121 A124 A125 V128 I130 V133	A98-L102 WeakPolarHBondContact O-CG 3.23Å; A98-L102 PolarHBondContact O-N 3.37Å; M99-L102 PolarHBondContact O-N 3.33Å; T100-L102 PolarHBondContact O-N 3.05Å; L102-F105 PolarHBondContact O-N 2.76Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.36Å; L102-V121 HydrophobicContact CD2-CG1 4.12Å; L102-A124 HydrophobicContact CD1-CB 3.55Å; L102-A124 HydrophobicContact CG-CB 4.45Å; L102-A125 HydrophobicContact CD2-CB 4.04Å; L102-V128 HydrophobicContact CD1-CG2 3.71Å; L102-I130 HydrophobicContact CD2-CD1 4.45Å; L102-V133 HydrophobicContact CD2-CB 4.27Å; L102-V133 HydrophobicContact CD2-CG1 3.67Å; L102-V133 HydrophobicContact CD2-CG2 4.21Å
103	L	94.6	Very high	94.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-46.6	173.7	-79.9	166.8	0	0	0	110.7	L52 I59 A61 L66 M99 T100 F105 I106 Y107	L52-L103 HydrophobicContact CD1-CD1 4.36Å; I59-L103 HydrophobicContact CB-CD1 4.29Å; I59-L103 HydrophobicContact CD1-CD1 4.45Å; I59-L103 HydrophobicContact CG2-CD1 3.36Å; A61-L103 HydrophobicContact CB-CD2 4.09Å; L66-L103 HydrophobicContact CD2-CD2 3.52Å; L66-L103 HydrophobicContact CG-CD2 4.39Å; M99-L103 HydrophobicContact CG-CD1 4.15Å; M99-L103 WeakPolarHBondContact O-CB 3.42Å; M99-L103 WeakPolarHBondContact O-CG 3.25Å; M99-L103 PolarHBondContact O-N 3.34Å; T100-L103 WeakPolarHBondContact O-CB 3.5Å; T100-L103 PolarHBondContact O-N 3.23Å; L103-F105 VanDerWaalsContact C-N 3.28Å; L103-F105 PolarHBondContact O-N 2.87Å; L103-I106 WeakPolarHBondContact O-CB 3.35Å; L103-I106 PolarHBondContact O-N 3.47Å; L103-Y107 HydrophobicContact CD2-CE2 4.23Å; L103-Y107 VanDerWaalsContact O-CD2 3.23Å; L103-Y107 WeakPolarHBondContact O-CD2 3.35Å; L103-Y107 PolarHBondContact O-N 3.46Å
104	D	94	Very high	94.9	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	22%	0.222	S	C	.	.	H	α-helix	trans	-52.1	-50.7	175.5	-66.1	-17	0	0	0	110.6	R42 T100 K101 I106 Y107 T108	R42-D104 IonicContact CZ-OD1 3.13Å; R42-D104 IonicContact NH1-OD1 2.69Å; R42-D104 PolarHBondContact NH1-OD1 3.41Å; R42-D104 IonicContact NH2-OD1 2.73Å; R42-D104 PolarHBondContact NH2-OD1 2.8Å; T100-D104 PolarHBondContact O-N 3.41Å; K101-D104 PolarHBondContact O-N 2.84Å; D104-I106 PolarHBondContact O-N 3.49Å; D104-Y107 PolarHBondContact O-N 3.28Å; D104-T108 WeakPolarHBondContact O-CB 3.29Å; D104-T108 WeakPolarHBondContact O-CG2 3.21Å; D104-T108 PolarHBondContact O-N 3.16Å; D104-T108 PolarHBondContact O-OG1 3.26Å
105	F	96.1	Very high	94.7	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-55.1	-44.6	173.2	173.8	-101	0	0	0	113.5	K101 L102 L103 Y107 T108 S109 E110 L111 I130 E132 V133 F136	K101-F105 PolarHBondContact O-N 3.03Å; L102-F105 PolarHBondContact O-N 2.76Å; L103-F105 VanDerWaalsContact C-N 3.28Å; L103-F105 PolarHBondContact O-N 2.87Å; F105-Y107 PolarHBondContact O-N 3.07Å; F105-T108 PolarHBondContact O-N 3Å; F105-S109 WeakPolarHBondContact O-CA 3.49Å; F105-S109 PolarHBondContact O-N 3.37Å; F105-E110 VanDerWaalsContact CA-O 3.3Å; F105-E110 WeakPolarHBondContact CA-O 3.5Å; F105-L111 HydrophobicContact CB-CB 4.41Å; F105-L111 HydrophobicContact CB-CD1 4.48Å; F105-L111 HydrophobicContact CD2-CB 4.04Å; F105-I130 HydrophobicContact CD1-CG2 4.48Å; F105-I130 HydrophobicContact CE1-CG2 4.06Å; F105-E132 HydrophobicContact CZ-CB 4.33Å; F105-V133 HydrophobicContact CD1-CG2 3.38Å; F105-V133 HydrophobicContact CD2-CG2 4.38Å; F105-V133 HydrophobicContact CE1-CG2 3.49Å; F105-V133 VanDerWaalsContact CE1-CG2 3.49Å; F105-V133 HydrophobicContact CE2-CG2 4.47Å; F105-V133 HydrophobicContact CG-CG2 3.85Å; F105-V133 HydrophobicContact CZ-CG2 4.05Å; F105-F136 AromaticContact CE2-CE2 3.69Å; F105-F136 HydrophobicContact CE2-CE2 3.69Å; F105-F136 HydrophobicContact CZ-CE2 4.03Å
106	I	94.9	Very high	94.5	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-32.2	178.2	-72	167.7	0	0	0	112.2	L65 L66 A69 L102 L103 D104 I130	L65-I106 HydrophobicContact CD1-CG2 4.4Å; L65-I106 HydrophobicContact CD2-CG2 3.65Å; L65-I106 HydrophobicContact CG-CG2 3.53Å; L66-I106 HydrophobicContact CD2-CD1 3.86Å; A69-I106 HydrophobicContact CB-CD1 4.32Å; A69-I106 HydrophobicContact CB-CG1 3.95Å; A69-I106 HydrophobicContact CB-CG2 3.93Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.36Å; L103-I106 WeakPolarHBondContact O-CB 3.35Å; L103-I106 PolarHBondContact O-N 3.47Å; D104-I106 PolarHBondContact O-N 3.49Å; I106-I130 HydrophobicContact CD1-CD1 3.96Å; I106-I130 HydrophobicContact CG1-CD1 4.3Å
107	Y	94	Very high	94.4	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-91.2	-28.1	179.4	-76.3	-91.9	0	0	0	114.1	L38 R42 H62 L65 L103 D104 F105	L38-Y107 HydrophobicContact CB-CD1 4.19Å; R42-Y107 HydrophobicContact CB-CD1 4Å; R42-Y107 HydrophobicContact CB-CE1 3.86Å; R42-Y107 VanDerWaalsContact CD-CD2 3.49Å; R42-Y107 HydrophobicContact CG-CE1 4.34Å; H62-Y107 PolarHBondContact N-OH 2.98Å; H62-Y107 VanDerWaalsContact N-OH 3.14Å; H62-Y107 AromaticContact ND1-CE1 3.55Å; H62-Y107 AromaticContact ND1-CZ 3.54Å; H62-Y107 PolarHBondContact ND1-OH 3.34Å; L65-Y107 HydrophobicContact CD2-CD1 3.48Å; L65-Y107 VanDerWaalsContact CD2-CD1 3.48Å; L65-Y107 HydrophobicContact CD2-CD2 3.93Å; L65-Y107 HydrophobicContact CD2-CE1 3.29Å; L65-Y107 HydrophobicContact CD2-CE2 3.76Å; L65-Y107 HydrophobicContact CD2-CG 3.8Å; L65-Y107 VanDerWaalsContact CD2-CZ 3.44Å; L103-Y107 HydrophobicContact CD2-CE2 4.23Å; L103-Y107 VanDerWaalsContact O-CD2 3.23Å; L103-Y107 WeakPolarHBondContact O-CD2 3.35Å; L103-Y107 PolarHBondContact O-N 3.46Å; D104-Y107 PolarHBondContact O-N 3.28Å; F105-Y107 PolarHBondContact O-N 3.07Å
108	T	93.1	Very high	94.4	Very high	43 Å²	43	46.2 Å²	46.2	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-113.1	-17.6	-171.7	65.4	0	0	0	0	113.8	F39 D104 F105 E110	F39-T108 HydrophobicContact CD2-CG2 3.63Å; F39-T108 HydrophobicContact CE2-CG2 3.61Å; F39-T108 HydrophobicContact CG-CG2 4.28Å; F39-T108 HydrophobicContact CZ-CG2 4.23Å; D104-T108 WeakPolarHBondContact O-CB 3.29Å; D104-T108 WeakPolarHBondContact O-CG2 3.21Å; D104-T108 PolarHBondContact O-N 3.16Å; D104-T108 PolarHBondContact O-OG1 3.26Å; F105-T108 PolarHBondContact O-N 3Å; T108-E110 PolarHBondContact O-N 2.99Å; T108-E110 PolarHBondContact OG1-N 3.37Å; T108-E110 VanDerWaalsContact OG1-N 3.1Å; T108-E110 PolarHBondContact OG1-O 3.4Å
109	S	92.9	Very high	94.2	Very high	71 Å²	71	51.4 Å²	51.4	50%	0.497	27%	0.267	S	S	.	.	S	Bend	trans	60.4	20.7	-165.8	-54.5	0	0	0	0	114.2	L35 F105	L35-S109 WeakPolarHBondContact CD1-OG 3.44Å; F105-S109 WeakPolarHBondContact O-CA 3.49Å; F105-S109 PolarHBondContact O-N 3.37Å
110	E	94	Very high	94.1	Very high	150 Å²	150	53.7 Å²	53.7	70%	0.701	28%	0.278	S	S	*	.			trans	-120.8	138.2	179	-64	-179.1	171.9	0	0	110.7	F105 T108	F105-E110 VanDerWaalsContact CA-O 3.3Å; F105-E110 WeakPolarHBondContact CA-O 3.5Å; T108-E110 PolarHBondContact O-N 2.99Å; T108-E110 PolarHBondContact OG1-N 3.37Å; T108-E110 VanDerWaalsContact OG1-N 3.1Å; T108-E110 PolarHBondContact OG1-O 3.4Å
111	L	96.4	Very high	94.2	Very high	38 Å²	38	52.2 Å²	52.2	20%	0.199	27%	0.268	C	S	.	.			trans	-135.3	125.2	178.3	-179.4	69.3	0	0	0	110.1	K101 F105 L113 V121 V133 F136	K101-L111 HydrophobicContact CB-CD1 4.07Å; F105-L111 HydrophobicContact CB-CB 4.41Å; F105-L111 HydrophobicContact CB-CD1 4.48Å; F105-L111 HydrophobicContact CD2-CB 4.04Å; L111-L113 HydrophobicContact CD1-CD2 4.49Å; L111-L113 HydrophobicContact CD2-CD1 4.14Å; L111-L113 HydrophobicContact CD2-CD2 3.85Å; L111-L113 HydrophobicContact CD2-CG 3.95Å; L111-L113 HydrophobicContact CG-CD2 4.04Å; L111-L113 HydrophobicContact CG-CG 4.07Å; L111-V121 HydrophobicContact CD1-CG1 4.33Å; L111-V121 HydrophobicContact CD2-CG1 4.32Å; L111-V133 HydrophobicContact CD2-CB 4.38Å; L111-V133 HydrophobicContact CD2-CG1 3.57Å; L111-V133 HydrophobicContact CD2-CG2 4.26Å; L111-F136 HydrophobicContact CD2-CB 4.43Å; L111-F136 HydrophobicContact CD2-CD2 4.19Å
112	E	94.8	Very high	94.1	Very high	144 Å²	144	50.5 Å²	50.5	67%	0.673	26%	0.261	S	S	*	.			trans	-98.5	119.3	173.9	-175	-178.9	-168.5	0	0	109.9	K101 N117	K101-E112 PolarHBondContact NZ-O 2.94Å; E112-N117 PolarHBondContact O-ND2 3.43Å
113	L	95.7	Very high	93.9	Very high	31 Å²	31	52.2 Å²	52.2	16%	0.162	27%	0.271	C	S	.	.			trans	-114	140.5	178.9	-66	177.8	0	0	0	111.1	L111 N117 V121 F136 F140	L111-L113 HydrophobicContact CD1-CD2 4.49Å; L111-L113 HydrophobicContact CD2-CD1 4.14Å; L111-L113 HydrophobicContact CD2-CD2 3.85Å; L111-L113 HydrophobicContact CD2-CG 3.95Å; L111-L113 HydrophobicContact CG-CD2 4.04Å; L111-L113 HydrophobicContact CG-CG 4.07Å; L113-N117 WeakPolarHBondContact CA-OD1 3.24Å; L113-V121 HydrophobicContact CD2-CB 4.17Å; L113-V121 HydrophobicContact CD2-CG1 3.99Å; L113-V121 HydrophobicContact CD2-CG2 4.37Å; L113-F136 HydrophobicContact CD1-CB 4.18Å; L113-F140 HydrophobicContact CB-CD2 3.89Å; L113-F140 HydrophobicContact CB-CE2 4.21Å; L113-F140 HydrophobicContact CB-CG 4.09Å; L113-F140 HydrophobicContact CD1-CB 3.93Å; L113-F140 HydrophobicContact CD1-CG 4.34Å; L113-F140 WeakPolarHBondContact O-CE2 3.48Å
114	D	94.1	Very high	93.9	Very high	58 Å²	58	52.1 Å²	52.1	31%	0.31	27%	0.271	S	S	.	.			trans	-141.1	174.8	172.1	59.7	47.8	0	0	0	110	D116 N117 V118	D114-D116 PolarHBondContact O-N 2.81Å; D114-D116 WeakPolarHBondContact OD1-CA 3.45Å; D114-D116 WeakPolarHBondContact OD1-CB 3.23Å; D114-D116 PolarHBondContact OD1-N 3Å; D114-N117 PolarHBondContact N-ND2 2.64Å; D114-N117 PolarHBondContact N-OD1 3.23Å; D114-N117 VanDerWaalsContact N-OD1 3.1Å; D114-N117 PolarHBondContact O-N 3.46Å; D114-N117 WeakPolarHBondContact OD1-CB 3.5Å; D114-N117 PolarHBondContact OD1-N 3.32Å; D114-N117 PolarHBondContact OD1-ND2 3.19Å; D114-N117 VanDerWaalsContact OD1-ND2 3.12Å; D114-N117 PolarHBondContact OD2-ND2 3.12Å; D114-V118 VanDerWaalsContact O-CB 3.3Å; D114-V118 WeakPolarHBondContact O-CB 3.34Å; D114-V118 WeakPolarHBondContact O-CG1 3.32Å; D114-V118 PolarHBondContact O-N 3.34Å
115	L	89	Confident	94	Very high	111 Å²	111	49.3 Å²	49.3	58%	0.581	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.9	-179.1	-66.1	173.2	0	0	0	113.1	F140 W144	L115-F140 HydrophobicContact CD2-CE1 4.06Å; L115-F140 HydrophobicContact CD2-CZ 4.46Å; L115-W144 HydrophobicContact CD2-CB 4.32Å; L115-W144 HydrophobicContact CD2-CD2 4.41Å; L115-W144 HydrophobicContact CD2-CG 4.22Å
116	D	90.8	Very high	93.8	Very high	154 Å²	154	50.4 Å²	50.4	82%	0.824	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-30.9	-178.6	-62.1	-43.1	0	0	0	111.6	D114	D114-D116 PolarHBondContact O-N 2.81Å; D114-D116 WeakPolarHBondContact OD1-CA 3.45Å; D114-D116 WeakPolarHBondContact OD1-CB 3.23Å; D114-D116 PolarHBondContact OD1-N 3Å
117	N	93.7	Very high	93.7	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.027	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-20.9	-172.6	76.9	39.1	0	0	0	114.6	K101 E112 L113 D114 Q119 E120 V121	K101-N117 WeakPolarHBondContact CE-ND2 3.45Å; K101-N117 PolarHBondContact NZ-ND2 2.81Å; E112-N117 PolarHBondContact O-ND2 3.43Å; L113-N117 WeakPolarHBondContact CA-OD1 3.24Å; D114-N117 PolarHBondContact N-ND2 2.64Å; D114-N117 PolarHBondContact N-OD1 3.23Å; D114-N117 VanDerWaalsContact N-OD1 3.1Å; D114-N117 PolarHBondContact O-N 3.46Å; D114-N117 WeakPolarHBondContact OD1-CB 3.5Å; D114-N117 PolarHBondContact OD1-N 3.32Å; D114-N117 PolarHBondContact OD1-ND2 3.19Å; D114-N117 VanDerWaalsContact OD1-ND2 3.12Å; D114-N117 PolarHBondContact OD2-ND2 3.12Å; N117-Q119 VanDerWaalsContact C-N 3.28Å; N117-Q119 PolarHBondContact O-N 3.23Å; N117-E120 HydrophobicContact CB-CG 4.46Å; N117-E120 WeakPolarHBondContact O-CG 3.41Å; N117-E120 PolarHBondContact O-N 3.01Å; N117-V121 HydrophobicContact CB-CG2 4.46Å; N117-V121 WeakPolarHBondContact O-CG2 3.22Å; N117-V121 PolarHBondContact O-N 3.37Å
118	V	94.3	Very high	93.7	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-38.9	-169.1	62	0	0	0	0	112.8	D114 L122 C137 F140 L141	D114-V118 VanDerWaalsContact O-CB 3.3Å; D114-V118 WeakPolarHBondContact O-CB 3.34Å; D114-V118 WeakPolarHBondContact O-CG1 3.32Å; D114-V118 PolarHBondContact O-N 3.34Å; V118-L122 VanDerWaalsContact O-CB 3.23Å; V118-L122 WeakPolarHBondContact O-CB 3.23Å; V118-L122 PolarHBondContact O-N 3.1Å; V118-C137 HydrophobicContact CG2-CB 4.12Å; V118-F140 HydrophobicContact CB-CD1 3.92Å; V118-F140 HydrophobicContact CB-CE1 4.11Å; V118-F140 HydrophobicContact CG1-CD1 4.14Å; V118-F140 HydrophobicContact CG1-CE1 4.08Å; V118-F140 HydrophobicContact CG2-CD1 3.76Å; V118-F140 HydrophobicContact CG2-CE1 4.45Å; V118-F140 HydrophobicContact CG2-CG 4.46Å; V118-L141 HydrophobicContact CG1-CD2 3.78Å; V118-L141 HydrophobicContact CG2-CD1 4.49Å; V118-L141 HydrophobicContact CG2-CD2 4.05Å; V118-L141 HydrophobicContact CG2-CG 3.9Å
119	Q	92	Very high	93.6	Very high	110 Å²	110	56.2 Å²	56.2	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-67.4	-48.8	-179.2	-173.7	177.9	-12.7	0	0	111	N117 V121 L122 V123 L156	N117-Q119 VanDerWaalsContact C-N 3.28Å; N117-Q119 PolarHBondContact O-N 3.23Å; Q119-V121 VanDerWaalsContact C-N 3.33Å; Q119-V121 PolarHBondContact O-N 2.94Å; Q119-L122 PolarHBondContact O-N 3.43Å; Q119-V123 WeakPolarHBondContact O-CG2 3.06Å; Q119-V123 PolarHBondContact O-N 3.4Å; Q119-L156 HydrophobicContact CG-CD2 4.14Å
120	E	93.9	Very high	93.7	Very high	50 Å²	50	53.4 Å²	53.4	23%	0.234	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-37.3	179.7	57.9	166.4	-163.7	0	0	112.2	T95 T97 A98 N117 A124	T95-E120 WeakPolarHBondContact CB-OE2 3.26Å; T95-E120 HydrophobicContact CG2-CB 4.35Å; T95-E120 WeakPolarHBondContact CG2-OE2 3.16Å; T95-E120 PolarHBondContact OG1-OE2 3.43Å; T97-E120 WeakPolarHBondContact CB-OE1 3.43Å; T97-E120 WeakPolarHBondContact CG2-OE1 3.3Å; A98-E120 HydrophobicContact CB-CB 4.17Å; A98-E120 HydrophobicContact CB-CG 4.19Å; A98-E120 WeakPolarHBondContact CB-O 3.41Å; N117-E120 HydrophobicContact CB-CG 4.46Å; N117-E120 WeakPolarHBondContact O-CG 3.41Å; N117-E120 PolarHBondContact O-N 3.01Å; E120-A124 VanDerWaalsContact O-CB 3.29Å; E120-A124 WeakPolarHBondContact O-CB 3.19Å; E120-A124 PolarHBondContact O-N 3.11Å
121	V	96.6	Very high	93.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-42.3	175.2	176.7	0	0	0	0	110.7	A98 K101 L102 L111 L113 N117 Q119 A124 A125 V133	A98-V121 HydrophobicContact CB-CG2 4.33Å; K101-V121 HydrophobicContact CB-CG2 4.39Å; K101-V121 HydrophobicContact CD-CG2 3.89Å; L102-V121 HydrophobicContact CD2-CG1 4.12Å; L111-V121 HydrophobicContact CD1-CG1 4.33Å; L111-V121 HydrophobicContact CD2-CG1 4.32Å; L113-V121 HydrophobicContact CD2-CB 4.17Å; L113-V121 HydrophobicContact CD2-CG1 3.99Å; L113-V121 HydrophobicContact CD2-CG2 4.37Å; N117-V121 HydrophobicContact CB-CG2 4.46Å; N117-V121 WeakPolarHBondContact O-CG2 3.22Å; N117-V121 PolarHBondContact O-N 3.37Å; Q119-V121 VanDerWaalsContact C-N 3.33Å; Q119-V121 PolarHBondContact O-N 2.94Å; V121-A124 PolarHBondContact O-N 3.41Å; V121-A125 VanDerWaalsContact O-CB 3.24Å; V121-A125 WeakPolarHBondContact O-CB 3.38Å; V121-A125 PolarHBondContact O-N 2.98Å; V121-V133 HydrophobicContact CG1-CG1 3.89Å
122	L	94.7	Very high	93.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-45.8	176.7	176.2	62.1	0	0	0	112	V118 Q119 A124 A125 T126 I134 C137 L141 L162	V118-L122 VanDerWaalsContact O-CB 3.23Å; V118-L122 WeakPolarHBondContact O-CB 3.23Å; V118-L122 PolarHBondContact O-N 3.1Å; Q119-L122 PolarHBondContact O-N 3.43Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 2.75Å; L122-A125 PolarHBondContact O-N 3.27Å; L122-T126 WeakPolarHBondContact O-CB 3.48Å; L122-T126 PolarHBondContact O-N 2.9Å; L122-T126 PolarHBondContact O-OG1 2.98Å; L122-I134 HydrophobicContact CD1-CG2 4.09Å; L122-C137 HydrophobicContact CB-CB 3.95Å; L122-C137 HydrophobicContact CD1-CB 3.81Å; L122-C137 HydrophobicContact CG-CB 4.35Å; L122-L141 HydrophobicContact CD2-CD1 3.75Å; L122-L162 HydrophobicContact CD1-CD1 3.96Å; L122-L162 HydrophobicContact CD2-CD1 3.83Å; L122-L162 HydrophobicContact CG-CD1 4.34Å
123	V	92.6	Very high	93.6	Very high	37 Å²	37	51.8 Å²	51.8	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-48	176	-179.7	0	0	0	0	110	Q119 T126 L127 Y160	Q119-V123 WeakPolarHBondContact O-CG2 3.06Å; Q119-V123 PolarHBondContact O-N 3.4Å; V123-T126 PolarHBondContact O-N 3.22Å; V123-L127 PolarHBondContact O-N 3.37Å; V123-Y160 HydrophobicContact CG1-CE1 4.28Å; V123-Y160 HydrophobicContact CG2-CE1 4.24Å; V123-Y160 HydrophobicContact CG2-CE2 4.13Å; V123-Y160 WeakPolarHBondContact CG2-OH 3.2Å
124	A	95.1	Very high	93.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-50.3	-179.8	0	0	0	0	0	111.6	V94 A98 L102 E120 V121 L122 T126 L127 V128	V94-A124 HydrophobicContact CB-CB 4.39Å; V94-A124 HydrophobicContact CG1-CB 3.45Å; V94-A124 VanDerWaalsContact CG1-CB 3.45Å; V94-A124 HydrophobicContact CG2-CB 4.15Å; A98-A124 HydrophobicContact CB-CB 3.71Å; L102-A124 HydrophobicContact CD1-CB 3.55Å; L102-A124 HydrophobicContact CG-CB 4.45Å; E120-A124 VanDerWaalsContact O-CB 3.29Å; E120-A124 WeakPolarHBondContact O-CB 3.19Å; E120-A124 PolarHBondContact O-N 3.11Å; V121-A124 PolarHBondContact O-N 3.41Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 2.75Å; A124-T126 VanDerWaalsContact C-N 3.29Å; A124-T126 PolarHBondContact O-N 3.44Å; A124-L127 PolarHBondContact O-N 3.21Å; A124-L127 VanDerWaalsContact O-N 3.16Å; A124-V128 VanDerWaalsContact O-CG2 3.26Å; A124-V128 WeakPolarHBondContact O-CG2 3.49Å; A124-V128 PolarHBondContact O-N 2.91Å
125	A	95.3	Very high	93.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-37.4	-179.4	0	0	0	0	0	112.2	L102 V121 L122 Q129 I130 V133 I134	L102-A125 HydrophobicContact CD2-CB 4.04Å; V121-A125 VanDerWaalsContact O-CB 3.24Å; V121-A125 WeakPolarHBondContact O-CB 3.38Å; V121-A125 PolarHBondContact O-N 2.98Å; L122-A125 PolarHBondContact O-N 3.27Å; A125-Q129 WeakPolarHBondContact O-CA 3.43Å; A125-Q129 PolarHBondContact O-N 3.4Å; A125-I130 PolarHBondContact O-N 3.26Å; A125-V133 HydrophobicContact CB-CB 3.98Å; A125-V133 HydrophobicContact CB-CG1 3.61Å; A125-I134 HydrophobicContact CB-CG1 3.88Å
126	T	92.9	Very high	93.8	Very high	37 Å²	37	49 Å²	49	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-44.1	175.3	-55.1	0	0	0	0	111.1	L122 V123 A124 Q129 Y160	L122-T126 WeakPolarHBondContact O-CB 3.48Å; L122-T126 PolarHBondContact O-N 2.9Å; L122-T126 PolarHBondContact O-OG1 2.98Å; V123-T126 PolarHBondContact O-N 3.22Å; A124-T126 VanDerWaalsContact C-N 3.29Å; A124-T126 PolarHBondContact O-N 3.44Å; T126-Q129 PolarHBondContact O-N 3.22Å; T126-Y160 HydrophobicContact CG2-CD1 4.1Å
127	L	92.6	Very high	94	Very high	71 Å²	71	41.7 Å²	41.7	37%	0.372	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-45.2	177.5	-174.9	74.7	0	0	0	112	H92 V94 V123 A124 Q129	H92-L127 VanDerWaalsContact O-CD2 3.23Å; H92-L127 WeakPolarHBondContact O-CD2 3.23Å; V94-L127 HydrophobicContact CG2-CD2 3.43Å; V94-L127 VanDerWaalsContact CG2-CD2 3.43Å; V123-L127 PolarHBondContact O-N 3.37Å; A124-L127 PolarHBondContact O-N 3.21Å; A124-L127 VanDerWaalsContact O-N 3.16Å; L127-Q129 VanDerWaalsContact C-N 3.29Å
128	V	92.6	Very high	94	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-82.7	-7.1	-179.9	-57.4	0	0	0	0	112.8	C70 Y72 F73 M99 L102 A124 I130	C70-V128 PolarHBondContact SG-O 2.93Å; Y72-V128 VanDerWaalsContact CB-O 3.31Å; Y72-V128 WeakPolarHBondContact CB-O 3.48Å; Y72-V128 HydrophobicContact CD1-CG1 4.3Å; F73-V128 HydrophobicContact CE2-CG1 4.21Å; F73-V128 HydrophobicContact CZ-CG1 4.5Å; M99-V128 HydrophobicContact CE-CG1 4.16Å; L102-V128 HydrophobicContact CD1-CG2 3.71Å; A124-V128 VanDerWaalsContact O-CG2 3.26Å; A124-V128 WeakPolarHBondContact O-CG2 3.49Å; A124-V128 PolarHBondContact O-N 2.91Å; V128-I130 HydrophobicContact CG2-CD1 3.63Å; V128-I130 HydrophobicContact CG2-CG1 3.73Å
129	Q	92.8	Very high	94	Very high	108 Å²	108	45.1 Å²	45.1	51%	0.505	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	53.9	177.7	-52.2	177	-29.8	0	0	113.4	D71 A125 T126 L127	D71-Q129 HydrophobicContact CB-CB 4.49Å; A125-Q129 WeakPolarHBondContact O-CA 3.43Å; A125-Q129 PolarHBondContact O-N 3.4Å; T126-Q129 PolarHBondContact O-N 3.22Å; L127-Q129 VanDerWaalsContact C-N 3.29Å
130	I	94.2	Very high	94.1	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.056	21%	0.21	C	C	.	.			trans	-104	92.2	170.7	-58.8	171.9	0	0	0	108.8	C70 L102 F105 I106 A125 V128 E132 V133 I134	C70-I130 HydrophobicContact CB-CD1 4.37Å; C70-I130 HydrophobicContact CB-CG1 4.07Å; L102-I130 HydrophobicContact CD2-CD1 4.45Å; F105-I130 HydrophobicContact CD1-CG2 4.48Å; F105-I130 HydrophobicContact CE1-CG2 4.06Å; I106-I130 HydrophobicContact CD1-CD1 3.96Å; I106-I130 HydrophobicContact CG1-CD1 4.3Å; A125-I130 PolarHBondContact O-N 3.26Å; V128-I130 HydrophobicContact CG2-CD1 3.63Å; V128-I130 HydrophobicContact CG2-CG1 3.73Å; I130-E132 PolarHBondContact O-N 2.93Å; I130-V133 HydrophobicContact CB-CB 4.36Å; I130-V133 HydrophobicContact CB-CG2 4.38Å; I130-V133 HydrophobicContact CG2-CB 3.94Å; I130-V133 HydrophobicContact CG2-CG2 3.57Å; I130-V133 PolarHBondContact O-N 3.37Å; I130-I134 WeakPolarHBondContact O-CG1 3.35Å; I130-I134 PolarHBondContact O-N 3.43Å; I130-I134 VanDerWaalsContact O-N 3.12Å
131	E	92.6	Very high	94.1	Very high	168 Å²	168	40.2 Å²	40.2	79%	0.785	20%	0.203	S	C	*	.	H	α-helix	trans	-59.4	-39.3	-172.5	-65.9	-171.4	165.8	0	0	113.9	V133 I134 G135	E131-V133 VanDerWaalsContact C-N 3.34Å; E131-V133 PolarHBondContact O-N 2.99Å; E131-I134 WeakPolarHBondContact O-CB 3.4Å; E131-I134 PolarHBondContact O-N 2.79Å; E131-G135 PolarHBondContact O-N 2.81Å
132	E	94.4	Very high	93.8	Very high	130 Å²	130	43.1 Å²	43.1	61%	0.607	22%	0.216	S	C	*	.	H	α-helix	trans	-61	-42.9	178.7	-70.7	-179.4	171.9	0	0	111.9	F105 I130 G135 F136	F105-E132 HydrophobicContact CZ-CB 4.33Å; I130-E132 PolarHBondContact O-N 2.93Å; E132-G135 WeakPolarHBondContact O-CA 3.3Å; E132-G135 PolarHBondContact O-N 3.45Å; E132-F136 HydrophobicContact CB-CE2 4.4Å; E132-F136 HydrophobicContact CB-CZ 4.37Å; E132-F136 WeakPolarHBondContact O-CD2 3.43Å; E132-F136 VanDerWaalsContact O-CG 3.3Å; E132-F136 WeakPolarHBondContact O-CG 3.09Å; E132-F136 PolarHBondContact O-N 3.38Å
133	V	95.6	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-39.6	177.9	175.4	0	0	0	0	111.1	L102 F105 L111 V121 A125 I130 E131 G135 F136 C137	L102-V133 HydrophobicContact CD2-CB 4.27Å; L102-V133 HydrophobicContact CD2-CG1 3.67Å; L102-V133 HydrophobicContact CD2-CG2 4.21Å; F105-V133 HydrophobicContact CD1-CG2 3.38Å; F105-V133 HydrophobicContact CD2-CG2 4.38Å; F105-V133 HydrophobicContact CE1-CG2 3.49Å; F105-V133 VanDerWaalsContact CE1-CG2 3.49Å; F105-V133 HydrophobicContact CE2-CG2 4.47Å; F105-V133 HydrophobicContact CG-CG2 3.85Å; F105-V133 HydrophobicContact CZ-CG2 4.05Å; L111-V133 HydrophobicContact CD2-CB 4.38Å; L111-V133 HydrophobicContact CD2-CG1 3.57Å; L111-V133 HydrophobicContact CD2-CG2 4.26Å; V121-V133 HydrophobicContact CG1-CG1 3.89Å; A125-V133 HydrophobicContact CB-CB 3.98Å; A125-V133 HydrophobicContact CB-CG1 3.61Å; I130-V133 HydrophobicContact CB-CB 4.36Å; I130-V133 HydrophobicContact CB-CG2 4.38Å; I130-V133 HydrophobicContact CG2-CB 3.94Å; I130-V133 HydrophobicContact CG2-CG2 3.57Å; I130-V133 PolarHBondContact O-N 3.37Å; E131-V133 VanDerWaalsContact C-N 3.34Å; E131-V133 PolarHBondContact O-N 2.99Å; V133-G135 PolarHBondContact O-N 3.24Å; V133-F136 PolarHBondContact O-N 2.96Å; V133-C137 PolarHBondContact O-N 3.19Å; V133-C137 PolarHBondContact O-SG 2.99Å; V133-C137 VanDerWaalsContact O-SG 3.37Å
134	I	94.3	Very high	93.7	Very high	30 Å²	30	53.1 Å²	53.1	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-57.1	-43.4	172.7	-63	168.1	0	0	0	109.7	L122 A125 I130 E131 C137 C138 L162	L122-I134 HydrophobicContact CD1-CG2 4.09Å; A125-I134 HydrophobicContact CB-CG1 3.88Å; I130-I134 WeakPolarHBondContact O-CG1 3.35Å; I130-I134 PolarHBondContact O-N 3.43Å; I130-I134 VanDerWaalsContact O-N 3.12Å; E131-I134 WeakPolarHBondContact O-CB 3.4Å; E131-I134 PolarHBondContact O-N 2.79Å; I134-C137 PolarHBondContact O-N 3.39Å; I134-C138 WeakPolarHBondContact O-CB 3.41Å; I134-C138 PolarHBondContact O-N 3.1Å; I134-C138 PolarHBondContact O-SG 2.91Å; I134-L162 HydrophobicContact CG2-CD2 3.57Å
135	G	93.8	Very high	93.6	Very high	21 Å²	21	53.9 Å²	53.9	22%	0.216	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-50.9	174.2	0	0	0	0	0	112.8	E131 E132 V133 C137 C138 D139	E131-G135 PolarHBondContact O-N 2.81Å; E132-G135 WeakPolarHBondContact O-CA 3.3Å; E132-G135 PolarHBondContact O-N 3.45Å; V133-G135 PolarHBondContact O-N 3.24Å; G135-C137 PolarHBondContact O-N 2.73Å; G135-C138 WeakPolarHBondContact O-CB 3.5Å; G135-C138 PolarHBondContact O-N 3.12Å; G135-C138 VanDerWaalsContact O-N 3.16Å; G135-D139 PolarHBondContact O-N 3.45Å
136	F	95.6	Very high	93.4	Very high	92 Å²	92	57 Å²	57	40%	0.404	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-42.3	178.1	-57.2	-28.6	0	0	0	112.7	F105 L111 L113 E132 V133 D139 F140	F105-F136 AromaticContact CE2-CE2 3.69Å; F105-F136 HydrophobicContact CE2-CE2 3.69Å; F105-F136 HydrophobicContact CZ-CE2 4.03Å; L111-F136 HydrophobicContact CD2-CB 4.43Å; L111-F136 HydrophobicContact CD2-CD2 4.19Å; L113-F136 HydrophobicContact CD1-CB 4.18Å; E132-F136 HydrophobicContact CB-CE2 4.4Å; E132-F136 HydrophobicContact CB-CZ 4.37Å; E132-F136 WeakPolarHBondContact O-CD2 3.43Å; E132-F136 VanDerWaalsContact O-CG 3.3Å; E132-F136 WeakPolarHBondContact O-CG 3.09Å; E132-F136 PolarHBondContact O-N 3.38Å; V133-F136 PolarHBondContact O-N 2.96Å; F136-D139 PolarHBondContact O-N 3.39Å; F136-F140 WeakPolarHBondContact O-CB 3.19Å; F136-F140 PolarHBondContact O-N 3.45Å
137	C	94.9	Very high	93.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-41.9	175.2	-69.3	0	0	0	0	111.7	V118 L122 V133 I134 G135 F140 L141	V118-C137 HydrophobicContact CG2-CB 4.12Å; L122-C137 HydrophobicContact CB-CB 3.95Å; L122-C137 HydrophobicContact CD1-CB 3.81Å; L122-C137 HydrophobicContact CG-CB 4.35Å; V133-C137 PolarHBondContact O-N 3.19Å; V133-C137 PolarHBondContact O-SG 2.99Å; V133-C137 VanDerWaalsContact O-SG 3.37Å; I134-C137 PolarHBondContact O-N 3.39Å; G135-C137 PolarHBondContact O-N 2.73Å; C137-F140 PolarHBondContact O-N 2.97Å; C137-L141 WeakPolarHBondContact O-CB 3.31Å; C137-L141 VanDerWaalsContact O-CG 3.27Å; C137-L141 WeakPolarHBondContact O-CG 3.27Å; C137-L141 PolarHBondContact O-N 3.34Å
138	C	94	Very high	93.3	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.034	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-41.3	176.3	-68.4	0	0	0	0	112	I134 G135 F142 L165	I134-C138 WeakPolarHBondContact O-CB 3.41Å; I134-C138 PolarHBondContact O-N 3.1Å; I134-C138 PolarHBondContact O-SG 2.91Å; G135-C138 WeakPolarHBondContact O-CB 3.5Å; G135-C138 PolarHBondContact O-N 3.12Å; G135-C138 VanDerWaalsContact O-N 3.16Å; C138-F142 WeakPolarHBondContact O-CB 3.4Å; C138-F142 PolarHBondContact O-N 2.83Å; C138-L165 HydrophobicContact CB-CB 4.3Å
139	D	93.4	Very high	93.2	Very high	77 Å²	77	59.7 Å²	59.7	41%	0.412	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-45.4	176.3	-73.5	-20.2	0	0	0	111.4	G135 F136 F142 S143 K168	G135-D139 PolarHBondContact O-N 3.45Å; F136-D139 PolarHBondContact O-N 3.39Å; D139-F142 PolarHBondContact O-N 3.17Å; D139-S143 PolarHBondContact O-N 3.42Å; D139-S143 PolarHBondContact O-OG 2.98Å; D139-K168 IonicContact OD1-NZ 3.85Å; D139-K168 PolarHBondContact OD1-NZ 3.17Å
140	F	94.4	Very high	93.2	Very high	40 Å²	40	54.6 Å²	54.6	18%	0.175	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-50.1	176.7	-176.5	-87.4	0	0	0	112	L113 L115 V118 F136 C137 F142 S143 W144	L113-F140 HydrophobicContact CB-CD2 3.89Å; L113-F140 HydrophobicContact CB-CE2 4.21Å; L113-F140 HydrophobicContact CB-CG 4.09Å; L113-F140 HydrophobicContact CD1-CB 3.93Å; L113-F140 HydrophobicContact CD1-CG 4.34Å; L113-F140 WeakPolarHBondContact O-CE2 3.48Å; L115-F140 HydrophobicContact CD2-CE1 4.06Å; L115-F140 HydrophobicContact CD2-CZ 4.46Å; V118-F140 HydrophobicContact CB-CD1 3.92Å; V118-F140 HydrophobicContact CB-CE1 4.11Å; V118-F140 HydrophobicContact CG1-CD1 4.14Å; V118-F140 HydrophobicContact CG1-CE1 4.08Å; V118-F140 HydrophobicContact CG2-CD1 3.76Å; V118-F140 HydrophobicContact CG2-CE1 4.45Å; V118-F140 HydrophobicContact CG2-CG 4.46Å; F136-F140 WeakPolarHBondContact O-CB 3.19Å; F136-F140 PolarHBondContact O-N 3.45Å; C137-F140 PolarHBondContact O-N 2.97Å; F140-F142 PolarHBondContact O-N 2.95Å; F140-S143 PolarHBondContact O-N 3.32Å; F140-W144 AromaticContact CE1-CD1 3.91Å; F140-W144 AromaticContact CE2-CD1 3.98Å; F140-W144 AromaticContact CE2-NE1 3.68Å; F140-W144 AromaticContact CZ-CD1 3.77Å; F140-W144 AromaticContact CZ-NE1 3.66Å; F140-W144 PolarHBondContact O-N 2.98Å
141	L	93.2	Very high	93.2	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.089	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-39.1	177.9	-74.2	172.7	0	0	0	111.6	V118 L122 C137 W144 L145 V153 L156 L165	V118-L141 HydrophobicContact CG1-CD2 3.78Å; V118-L141 HydrophobicContact CG2-CD1 4.49Å; V118-L141 HydrophobicContact CG2-CD2 4.05Å; V118-L141 HydrophobicContact CG2-CG 3.9Å; L122-L141 HydrophobicContact CD2-CD1 3.75Å; C137-L141 WeakPolarHBondContact O-CB 3.31Å; C137-L141 VanDerWaalsContact O-CG 3.27Å; C137-L141 WeakPolarHBondContact O-CG 3.27Å; C137-L141 PolarHBondContact O-N 3.34Å; L141-W144 PolarHBondContact O-N 3.17Å; L141-L145 PolarHBondContact O-N 3.23Å; L141-V153 HydrophobicContact CB-CG1 4.42Å; L141-L156 HydrophobicContact CD1-CD1 4.46Å; L141-L165 HydrophobicContact CB-CD1 4.46Å; L141-L165 HydrophobicContact CD1-CD2 4.05Å
142	F	91.9	Very high	93.1	Very high	61 Å²	61	53.2 Å²	53.2	27%	0.268	28%	0.276	S	S	.	.	H	α-helix	trans	-71.4	-37.7	178.1	-174.1	-105.9	0	0	0	113.1	C138 D139 F140 W144 L145 L165 K168	C138-F142 WeakPolarHBondContact O-CB 3.4Å; C138-F142 PolarHBondContact O-N 2.83Å; D139-F142 PolarHBondContact O-N 3.17Å; F140-F142 PolarHBondContact O-N 2.95Å; F142-W144 PolarHBondContact O-N 3.13Å; F142-L145 HydrophobicContact CD2-CB 4.42Å; F142-L145 HydrophobicContact CD2-CD2 3.85Å; F142-L145 HydrophobicContact CE2-CD2 3.83Å; F142-L145 VanDerWaalsContact O-CB 3.26Å; F142-L145 WeakPolarHBondContact O-CB 3.39Å; F142-L145 PolarHBondContact O-N 2.92Å; F142-L145 VanDerWaalsContact O-N 3.13Å; F142-L165 HydrophobicContact CB-CD1 4.33Å; F142-K168 HydrophobicContact CB-CD 4.1Å; F142-K168 HydrophobicContact CD1-CD 3.93Å; F142-K168 HydrophobicContact CD2-CB 3.53Å; F142-K168 HydrophobicContact CD2-CD 4.09Å; F142-K168 HydrophobicContact CD2-CG 4.36Å; F142-K168 HydrophobicContact CE1-CD 4.39Å; F142-K168 HydrophobicContact CE2-CB 3.56Å; F142-K168 HydrophobicContact CE2-CG 4.42Å; F142-K168 WeakPolarHBondContact CE2-O 3.41Å; F142-K168 HydrophobicContact CG-CB 4.09Å; F142-K168 HydrophobicContact CG-CD 3.74Å; F142-K168 HydrophobicContact CG-CG 4.46Å; F142-K168 HydrophobicContact CZ-CB 4.12Å
143	S	93.4	Very high	93	Very high	99 Å²	99	47.3 Å²	47.3	69%	0.692	25%	0.249	S	C	*	.	H	α-helix	trans	-63.3	-23.4	176.8	-68.5	0	0	0	0	113.6	D139 F140	D139-S143 PolarHBondContact O-N 3.42Å; D139-S143 PolarHBondContact O-OG 2.98Å; F140-S143 PolarHBondContact O-N 3.32Å
144	W	91.3	Very high	92.9	Very high	147 Å²	147	47.5 Å²	47.5	56%	0.557	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	11.1	176.4	-71.5	93.7	0	0	0	113.3	L115 F140 L141 F142 D146 N149	L115-W144 HydrophobicContact CD2-CB 4.32Å; L115-W144 HydrophobicContact CD2-CD2 4.41Å; L115-W144 HydrophobicContact CD2-CG 4.22Å; F140-W144 AromaticContact CE1-CD1 3.91Å; F140-W144 AromaticContact CE2-CD1 3.98Å; F140-W144 AromaticContact CE2-NE1 3.68Å; F140-W144 AromaticContact CZ-CD1 3.77Å; F140-W144 AromaticContact CZ-NE1 3.66Å; F140-W144 PolarHBondContact O-N 2.98Å; L141-W144 PolarHBondContact O-N 3.17Å; F142-W144 PolarHBondContact O-N 3.13Å; W144-D146 PolarHBondContact O-N 2.9Å; W144-N149 PolarHBondContact O-ND2 2.92Å
145	L	92.1	Very high	92.8	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.089	27%	0.268	C	S	.	.			trans	-69.5	129.7	179.8	-170.6	74.3	0	0	0	111.2	L141 F142 N149 I150 V153 V169 Y172	L141-L145 PolarHBondContact O-N 3.23Å; F142-L145 HydrophobicContact CD2-CB 4.42Å; F142-L145 HydrophobicContact CD2-CD2 3.85Å; F142-L145 HydrophobicContact CE2-CD2 3.83Å; F142-L145 VanDerWaalsContact O-CB 3.26Å; F142-L145 WeakPolarHBondContact O-CB 3.39Å; F142-L145 PolarHBondContact O-N 2.92Å; F142-L145 VanDerWaalsContact O-N 3.13Å; L145-N149 WeakPolarHBondContact CA-OD1 3.4Å; L145-I150 HydrophobicContact CD1-CB 4.21Å; L145-I150 HydrophobicContact CD1-CG1 4.19Å; L145-V153 HydrophobicContact CD1-CB 3.76Å; L145-V153 HydrophobicContact CD1-CG1 3.98Å; L145-V153 HydrophobicContact CD1-CG2 3.77Å; L145-V169 HydrophobicContact CD1-CG2 4.43Å; L145-V169 HydrophobicContact CD2-CG2 4.21Å; L145-Y172 HydrophobicContact CD2-CD1 4.08Å; L145-Y172 HydrophobicContact CD2-CD2 3.83Å; L145-Y172 HydrophobicContact CD2-CE2 4.45Å; L145-Y172 HydrophobicContact CD2-CG 3.61Å; L145-Y172 HydrophobicContact CG-CD2 4.45Å; L145-Y172 HydrophobicContact CG-CG 4.47Å
146	D	92.4	Very high	92.7	Very high	66 Å²	66	52 Å²	52	35%	0.353	26%	0.263	S	S	.	.			trans	-142.2	175.4	173.7	66.8	39.9	0	0	0	111.9	W144 S148 N149 I150	W144-D146 PolarHBondContact O-N 2.9Å; D146-S148 PolarHBondContact O-N 3.37Å; D146-S148 VanDerWaalsContact O-N 3.09Å; D146-S148 VanDerWaalsContact OD1-CA 3.3Å; D146-S148 WeakPolarHBondContact OD1-CA 3.42Å; D146-S148 VanDerWaalsContact OD1-CB 3.27Å; D146-S148 WeakPolarHBondContact OD1-CB 3.3Å; D146-S148 PolarHBondContact OD1-N 3.41Å; D146-S148 PolarHBondContact OD1-OG 3.43Å; D146-N149 PolarHBondContact N-OD1 3.29Å; D146-N149 PolarHBondContact O-N 3.16Å; D146-N149 PolarHBondContact O-OD1 2.92Å; D146-N149 PolarHBondContact OD1-N 2.91Å; D146-I150 WeakPolarHBondContact O-CB 3.46Å; D146-I150 PolarHBondContact O-N 2.94Å; D146-I150 VanDerWaalsContact O-N 3.15Å
147	D	92.1	Very high	92.5	Very high	44 Å²	44	47.7 Å²	47.7	24%	0.235	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.6	179.7	-73	-11.2	0	0	0	113.6	Y172 F180 T183 V185	D147-Y172 PolarHBondContact OD1-OH 2.76Å; D147-F180 HydrophobicContact CB-CD2 4.11Å; D147-F180 WeakPolarHBondContact OD1-CD2 3.35Å; D147-T183 HydrophobicContact CB-CG2 4.28Å; D147-V185 WeakPolarHBondContact O-CG1 3.42Å; D147-V185 WeakPolarHBondContact O-CG2 3.4Å
148	S	90.2	Very high	92.4	Very high	88 Å²	88	53 Å²	53	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-34.1	-176.9	78	0	0	0	0	113.3	D146	D146-S148 PolarHBondContact O-N 3.37Å; D146-S148 VanDerWaalsContact O-N 3.09Å; D146-S148 VanDerWaalsContact OD1-CA 3.3Å; D146-S148 WeakPolarHBondContact OD1-CA 3.42Å; D146-S148 VanDerWaalsContact OD1-CB 3.27Å; D146-S148 WeakPolarHBondContact OD1-CB 3.3Å; D146-S148 PolarHBondContact OD1-N 3.41Å; D146-S148 PolarHBondContact OD1-OG 3.43Å
149	N	90.5	Very high	92.2	Very high	33 Å²	33	57.8 Å²	57.8	18%	0.176	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-5.3	-175.2	68.9	19.5	0	0	0	114.3	W144 L145 D146 L151 E152 V153	W144-N149 PolarHBondContact O-ND2 2.92Å; L145-N149 WeakPolarHBondContact CA-OD1 3.4Å; D146-N149 PolarHBondContact N-OD1 3.29Å; D146-N149 PolarHBondContact O-N 3.16Å; D146-N149 PolarHBondContact O-OD1 2.92Å; D146-N149 PolarHBondContact OD1-N 2.91Å; N149-L151 VanDerWaalsContact C-N 3.28Å; N149-L151 PolarHBondContact O-N 3.46Å; N149-E152 WeakPolarHBondContact O-CB 3.32Å; N149-E152 PolarHBondContact O-N 3.4Å; N149-V153 PolarHBondContact O-N 3.3Å; N149-V153 VanDerWaalsContact O-N 3.11Å
150	I	93.6	Very high	92	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.2	-37.9	-175.9	-167.2	168.6	0	0	0	114.3	L145 D146 E152 D154 V169 Y172 I173 F180 V185	L145-I150 HydrophobicContact CD1-CB 4.21Å; L145-I150 HydrophobicContact CD1-CG1 4.19Å; D146-I150 WeakPolarHBondContact O-CB 3.46Å; D146-I150 PolarHBondContact O-N 2.94Å; D146-I150 VanDerWaalsContact O-N 3.15Å; I150-E152 VanDerWaalsContact C-N 3.3Å; I150-E152 PolarHBondContact O-N 3.45Å; I150-D154 WeakPolarHBondContact O-CB 3.14Å; I150-D154 PolarHBondContact O-N 3.09Å; I150-V169 HydrophobicContact CD1-CG1 4.19Å; I150-V169 HydrophobicContact CG1-CG1 3.84Å; I150-Y172 HydrophobicContact CD1-CD1 3.63Å; I150-Y172 HydrophobicContact CD1-CE1 4.05Å; I150-I173 HydrophobicContact CD1-CD1 4.03Å; I150-I173 HydrophobicContact CD1-CG1 3.47Å; I150-I173 VanDerWaalsContact CD1-CG1 3.47Å; I150-F180 HydrophobicContact CD1-CZ 4.28Å; I150-F180 HydrophobicContact CG2-CE2 3.64Å; I150-F180 HydrophobicContact CG2-CZ 3.68Å; I150-V185 HydrophobicContact CG2-CG1 3.69Å
151	L	92.6	Very high	91.9	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-35.8	177.7	-72.9	173.6	0	0	0	112.5	N149 K155 V185 Q188 L189	N149-L151 VanDerWaalsContact C-N 3.28Å; N149-L151 PolarHBondContact O-N 3.46Å; L151-K155 WeakPolarHBondContact O-CB 3.42Å; L151-K155 WeakPolarHBondContact O-CD 3.18Å; L151-K155 WeakPolarHBondContact O-CG 3.46Å; L151-K155 PolarHBondContact O-N 3.41Å; L151-K155 VanDerWaalsContact O-N 3.09Å; L151-V185 HydrophobicContact CB-CG1 4.47Å; L151-V185 HydrophobicContact CD1-CB 4.39Å; L151-V185 HydrophobicContact CD1-CG1 3.47Å; L151-V185 VanDerWaalsContact CD1-CG1 3.47Å; L151-V185 HydrophobicContact CD2-CG1 4.43Å; L151-V185 HydrophobicContact CG-CG1 3.47Å; L151-V185 VanDerWaalsContact CG-CG1 3.47Å; L151-Q188 HydrophobicContact CD1-CB 3.77Å; L151-L189 HydrophobicContact CD2-CD2 3.38Å; L151-L189 HydrophobicContact CD2-CG 3.81Å
152	E	91.1	Very high	91.8	Very high	133 Å²	133	57.7 Å²	57.7	62%	0.621	31%	0.308	S	S	*	.	H	α-helix	trans	-73.9	-46.5	-178.4	-60.9	-175.1	167.6	0	0	109.8	N149 I150 D154 K155 L156	N149-E152 WeakPolarHBondContact O-CB 3.32Å; N149-E152 PolarHBondContact O-N 3.4Å; I150-E152 VanDerWaalsContact C-N 3.3Å; I150-E152 PolarHBondContact O-N 3.45Å; E152-D154 VanDerWaalsContact C-N 3.3Å; E152-D154 PolarHBondContact O-N 2.9Å; E152-K155 PolarHBondContact O-N 3.11Å; E152-L156 VanDerWaalsContact O-CG 3.31Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.42Å
153	V	92.9	Very high	91.7	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-40.2	176.1	-178.2	0	0	0	0	111.2	L141 L145 N149 L156 A157 L165 V169	L141-V153 HydrophobicContact CB-CG1 4.42Å; L145-V153 HydrophobicContact CD1-CB 3.76Å; L145-V153 HydrophobicContact CD1-CG1 3.98Å; L145-V153 HydrophobicContact CD1-CG2 3.77Å; N149-V153 PolarHBondContact O-N 3.3Å; N149-V153 VanDerWaalsContact O-N 3.11Å; V153-L156 WeakPolarHBondContact O-CB 3.5Å; V153-L156 PolarHBondContact O-N 2.97Å; V153-A157 PolarHBondContact O-N 3.17Å; V153-L165 HydrophobicContact CG1-CD1 3.87Å; V153-L165 HydrophobicContact CG1-CD2 3.93Å; V153-L165 HydrophobicContact CG1-CG 4.03Å; V153-V169 HydrophobicContact CG1-CG2 3.91Å
154	D	92.9	Very high	91.6	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-45.2	177.5	-162.4	51.7	0	0	0	112.5	I150 E152 L156 A157 D158 V169 K193	I150-D154 WeakPolarHBondContact O-CB 3.14Å; I150-D154 PolarHBondContact O-N 3.09Å; E152-D154 VanDerWaalsContact C-N 3.3Å; E152-D154 PolarHBondContact O-N 2.9Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 2.87Å; D154-A157 WeakPolarHBondContact O-CB 3.49Å; D154-A157 PolarHBondContact O-N 3.06Å; D154-A157 VanDerWaalsContact O-N 3.17Å; D154-D158 PolarHBondContact O-N 2.58Å; D154-V169 HydrophobicContact CB-CG1 4.17Å; D154-K193 WeakPolarHBondContact OD1-CE 3.45Å; D154-K193 IonicContact OD1-NZ 2.58Å; D154-K193 PolarHBondContact OD1-NZ 3.33Å; D154-K193 WeakPolarHBondContact OD2-CD 3.36Å; D154-K193 WeakPolarHBondContact OD2-CE 3.46Å; D154-K193 IonicContact OD2-NZ 3.73Å; D154-K193 PolarHBondContact OD2-NZ 3.21Å
155	K	91.9	Very high	91.6	Very high	122 Å²	122	57.2 Å²	57.2	53%	0.53	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-39.7	174.7	-73.9	166.8	-170	170	0	111.7	L151 E152 A157 D158 V159	L151-K155 WeakPolarHBondContact O-CB 3.42Å; L151-K155 WeakPolarHBondContact O-CD 3.18Å; L151-K155 WeakPolarHBondContact O-CG 3.46Å; L151-K155 PolarHBondContact O-N 3.41Å; L151-K155 VanDerWaalsContact O-N 3.09Å; E152-K155 PolarHBondContact O-N 3.11Å; K155-A157 VanDerWaalsContact C-N 3.33Å; K155-D158 PolarHBondContact O-N 3.2Å; K155-V159 WeakPolarHBondContact O-CB 3.39Å; K155-V159 WeakPolarHBondContact O-CG2 3.42Å; K155-V159 PolarHBondContact O-N 3.32Å
156	L	91.3	Very high	91.7	Very high	23 Å²	23	57.2 Å²	57.2	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-44.4	174.9	-72.5	171.1	0	0	0	110.7	Q119 L141 E152 V153 D154 D158 V159 Y160	Q119-L156 HydrophobicContact CG-CD2 4.14Å; L141-L156 HydrophobicContact CD1-CD1 4.46Å; E152-L156 VanDerWaalsContact O-CG 3.31Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.42Å; V153-L156 WeakPolarHBondContact O-CB 3.5Å; V153-L156 PolarHBondContact O-N 2.97Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 2.87Å; L156-D158 VanDerWaalsContact C-N 3.34Å; L156-D158 PolarHBondContact O-N 2.92Å; L156-V159 PolarHBondContact O-N 3.31Å; L156-Y160 HydrophobicContact CD2-CD2 4.33Å; L156-Y160 HydrophobicContact CD2-CE2 3.78Å; L156-Y160 VanDerWaalsContact O-CD2 3.23Å; L156-Y160 WeakPolarHBondContact O-CD2 3.33Å; L156-Y160 PolarHBondContact O-N 3.03Å; L156-Y160 VanDerWaalsContact O-N 3.11Å
157	A	92.9	Very high	91.7	Very high	2 Å²	2	57 Å²	57	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-44.7	177.4	0	0	0	0	0	111.9	V153 D154 K155 G161 L162 L165	V153-A157 PolarHBondContact O-N 3.17Å; D154-A157 WeakPolarHBondContact O-CB 3.49Å; D154-A157 PolarHBondContact O-N 3.06Å; D154-A157 VanDerWaalsContact O-N 3.17Å; K155-A157 VanDerWaalsContact C-N 3.33Å; A157-G161 CarbonylContact O-C 3.52Å; A157-G161 WeakPolarHBondContact O-CA 3.47Å; A157-G161 PolarHBondContact O-N 3.29Å; A157-L162 HydrophobicContact CB-CB 4.35Å; A157-L162 PolarHBondContact O-N 2.79Å; A157-L165 HydrophobicContact CB-CB 4.19Å; A157-L165 HydrophobicContact CB-CD2 4.11Å; A157-L165 HydrophobicContact CB-CG 4.09Å
158	D	91.7	Very high	91.7	Very high	111 Å²	111	57.8 Å²	57.8	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-66.9	-45.7	178.8	-75.2	-15.3	0	0	0	112.6	D154 K155 L156 Y160 G161	D154-D158 PolarHBondContact O-N 2.58Å; K155-D158 PolarHBondContact O-N 3.2Å; L156-D158 VanDerWaalsContact C-N 3.34Å; L156-D158 PolarHBondContact O-N 2.92Å; D158-Y160 VanDerWaalsContact C-N 3.33Å; D158-Y160 PolarHBondContact O-N 3.49Å; D158-G161 PolarHBondContact O-N 3.16Å
159	V	91.1	Very high	91.9	Very high	106 Å²	106	53.6 Å²	53.6	64%	0.642	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-38.7	-177.5	168	0	0	0	0	111.9	K155 L156	K155-V159 WeakPolarHBondContact O-CB 3.39Å; K155-V159 WeakPolarHBondContact O-CG2 3.42Å; K155-V159 PolarHBondContact O-N 3.32Å; L156-V159 PolarHBondContact O-N 3.31Å
160	Y	89.3	Confident	92.1	Very high	71 Å²	71	54.6 Å²	54.6	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-99	2.9	-178.4	-62.4	-66.8	0	0	0	113.6	V123 T126 L156 D158 L162	V123-Y160 HydrophobicContact CG1-CE1 4.28Å; V123-Y160 HydrophobicContact CG2-CE1 4.24Å; V123-Y160 HydrophobicContact CG2-CE2 4.13Å; V123-Y160 WeakPolarHBondContact CG2-OH 3.2Å; T126-Y160 HydrophobicContact CG2-CD1 4.1Å; L156-Y160 HydrophobicContact CD2-CD2 4.33Å; L156-Y160 HydrophobicContact CD2-CE2 3.78Å; L156-Y160 VanDerWaalsContact O-CD2 3.23Å; L156-Y160 WeakPolarHBondContact O-CD2 3.33Å; L156-Y160 PolarHBondContact O-N 3.03Å; L156-Y160 VanDerWaalsContact O-N 3.11Å; D158-Y160 VanDerWaalsContact C-N 3.33Å; D158-Y160 PolarHBondContact O-N 3.49Å; Y160-L162 VanDerWaalsContact C-N 3.3Å; Y160-L162 PolarHBondContact O-N 3.24Å
161	G	90.4	Very high	92.2	Very high	42 Å²	42	56.3 Å²	56.3	43%	0.433	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	28.7	179.4	0	0	0	0	0	114.3	A157 D158 Q163	A157-G161 CarbonylContact O-C 3.52Å; A157-G161 WeakPolarHBondContact O-CA 3.47Å; A157-G161 PolarHBondContact O-N 3.29Å; D158-G161 PolarHBondContact O-N 3.16Å; G161-Q163 PolarHBondContact O-N 2.99Å
162	L	91.6	Very high	92.3	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.094	31%	0.305	C	S	.	.			trans	-78.9	80.2	-174.6	-53.4	172.4	0	0	0	111.2	L122 I134 A157 Y160 Q164 L165 G166	L122-L162 HydrophobicContact CD1-CD1 3.96Å; L122-L162 HydrophobicContact CD2-CD1 3.83Å; L122-L162 HydrophobicContact CG-CD1 4.34Å; I134-L162 HydrophobicContact CG2-CD2 3.57Å; A157-L162 HydrophobicContact CB-CB 4.35Å; A157-L162 PolarHBondContact O-N 2.79Å; Y160-L162 VanDerWaalsContact C-N 3.3Å; Y160-L162 PolarHBondContact O-N 3.24Å; L162-Q164 VanDerWaalsContact C-N 3.29Å; L162-Q164 PolarHBondContact O-N 2.87Å; L162-L165 HydrophobicContact CB-CB 4.01Å; L162-L165 HydrophobicContact CD1-CD2 4.05Å; L162-L165 PolarHBondContact O-N 2.7Å; L162-G166 PolarHBondContact O-N 3.44Å
163	Q	91.1	Very high	92.6	Very high	157 Å²	157	51.3 Å²	51.3	73%	0.734	28%	0.276	S	S	*	.	H	α-helix	trans	-55.8	-40	-175	-60.9	-57.2	-52.7	0	0	113.4	G161 G166 A167	G161-Q163 PolarHBondContact O-N 2.99Å; Q163-G166 PolarHBondContact O-N 2.53Å; Q163-A167 WeakPolarHBondContact O-CB 3.38Å; Q163-A167 PolarHBondContact O-N 2.72Å
164	Q	89.4	Confident	92.7	Very high	141 Å²	141	51.2 Å²	51.2	66%	0.659	28%	0.275	S	S	*	.	H	α-helix	trans	-66.6	-42.5	-179.9	-66.3	-177.3	-0.9	0	0	112.3	L162 A167 K168	L162-Q164 VanDerWaalsContact C-N 3.29Å; L162-Q164 PolarHBondContact O-N 2.87Å; Q164-A167 PolarHBondContact O-N 2.89Å; Q164-K168 WeakPolarHBondContact O-CG 3.41Å; Q164-K168 PolarHBondContact O-N 2.67Å
165	L	92.8	Very high	92.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-43.9	176.7	-177.1	59.5	0	0	0	110.6	C138 L141 F142 V153 A157 L162 A167 K168 V169	C138-L165 HydrophobicContact CB-CB 4.3Å; L141-L165 HydrophobicContact CB-CD1 4.46Å; L141-L165 HydrophobicContact CD1-CD2 4.05Å; F142-L165 HydrophobicContact CB-CD1 4.33Å; V153-L165 HydrophobicContact CG1-CD1 3.87Å; V153-L165 HydrophobicContact CG1-CD2 3.93Å; V153-L165 HydrophobicContact CG1-CG 4.03Å; A157-L165 HydrophobicContact CB-CB 4.19Å; A157-L165 HydrophobicContact CB-CD2 4.11Å; A157-L165 HydrophobicContact CB-CG 4.09Å; L162-L165 HydrophobicContact CB-CB 4.01Å; L162-L165 HydrophobicContact CD1-CD2 4.05Å; L162-L165 PolarHBondContact O-N 2.7Å; L165-A167 VanDerWaalsContact C-N 3.33Å; L165-A167 PolarHBondContact O-N 3.38Å; L165-K168 WeakPolarHBondContact O-CB 3.42Å; L165-K168 PolarHBondContact O-N 3.42Å; L165-K168 VanDerWaalsContact O-N 3.17Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 3.32Å
166	G	93.4	Very high	93	Very high	17 Å²	17	54.6 Å²	54.6	18%	0.175	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-42	175.5	0	0	0	0	0	112.9	L162 Q163 V169 H170	L162-G166 PolarHBondContact O-N 3.44Å; Q163-G166 PolarHBondContact O-N 2.53Å; G166-V169 PolarHBondContact O-N 2.95Å; G166-H170 WeakPolarHBondContact O-CB 3.5Å; G166-H170 PolarHBondContact O-N 2.94Å
167	A	92.6	Very high	93.2	Very high	62 Å²	62	53.6 Å²	53.6	51%	0.512	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-41	175	0	0	0	0	0	112.4	Q163 Q164 L165 H170 S171	Q163-A167 WeakPolarHBondContact O-CB 3.38Å; Q163-A167 PolarHBondContact O-N 2.72Å; Q164-A167 PolarHBondContact O-N 2.89Å; L165-A167 VanDerWaalsContact C-N 3.33Å; L165-A167 PolarHBondContact O-N 3.38Å; A167-H170 PolarHBondContact O-N 3.15Å; A167-S171 PolarHBondContact O-N 2.87Å
168	K	92.6	Very high	93.2	Very high	60 Å²	60	58.5 Å²	58.5	26%	0.261	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-43.5	175.3	-74.7	-176.8	-178.3	-175.9	0	112.1	D139 F142 Q164 L165 S171 Y172	D139-K168 IonicContact OD1-NZ 3.85Å; D139-K168 PolarHBondContact OD1-NZ 3.17Å; F142-K168 HydrophobicContact CB-CD 4.1Å; F142-K168 HydrophobicContact CD1-CD 3.93Å; F142-K168 HydrophobicContact CD2-CB 3.53Å; F142-K168 HydrophobicContact CD2-CD 4.09Å; F142-K168 HydrophobicContact CD2-CG 4.36Å; F142-K168 HydrophobicContact CE1-CD 4.39Å; F142-K168 HydrophobicContact CE2-CB 3.56Å; F142-K168 HydrophobicContact CE2-CG 4.42Å; F142-K168 WeakPolarHBondContact CE2-O 3.41Å; F142-K168 HydrophobicContact CG-CB 4.09Å; F142-K168 HydrophobicContact CG-CD 3.74Å; F142-K168 HydrophobicContact CG-CG 4.46Å; F142-K168 HydrophobicContact CZ-CB 4.12Å; Q164-K168 WeakPolarHBondContact O-CG 3.41Å; Q164-K168 PolarHBondContact O-N 2.67Å; L165-K168 WeakPolarHBondContact O-CB 3.42Å; L165-K168 PolarHBondContact O-N 3.42Å; L165-K168 VanDerWaalsContact O-N 3.17Å; K168-S171 PolarHBondContact O-N 2.79Å; K168-Y172 PolarHBondContact O-N 3.07Å
169	V	95.1	Very high	93.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-45.7	173.5	171.2	0	0	0	0	110.7	L145 I150 V153 D154 L165 G166 S171 Y172 I173	L145-V169 HydrophobicContact CD1-CG2 4.43Å; L145-V169 HydrophobicContact CD2-CG2 4.21Å; I150-V169 HydrophobicContact CD1-CG1 4.19Å; I150-V169 HydrophobicContact CG1-CG1 3.84Å; V153-V169 HydrophobicContact CG1-CG2 3.91Å; D154-V169 HydrophobicContact CB-CG1 4.17Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 3.32Å; G166-V169 PolarHBondContact O-N 2.95Å; V169-S171 VanDerWaalsContact C-N 3.35Å; V169-S171 PolarHBondContact O-N 3.09Å; V169-Y172 WeakPolarHBondContact O-CB 3.4Å; V169-Y172 PolarHBondContact O-N 3.41Å; V169-Y172 VanDerWaalsContact O-N 3.17Å; V169-I173 HydrophobicContact CG1-CD1 4.28Å; V169-I173 WeakPolarHBondContact O-CG1 3.47Å; V169-I173 PolarHBondContact O-N 3.17Å
170	H	94.5	Very high	93.6	Very high	54 Å²	54	51.8 Å²	51.8	25%	0.25	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-46.9	176.1	-173.7	82.3	0	0	0	111.8	G166 A167 Y172 I173 L174	G166-H170 WeakPolarHBondContact O-CB 3.5Å; G166-H170 PolarHBondContact O-N 2.94Å; A167-H170 PolarHBondContact O-N 3.15Å; H170-Y172 VanDerWaalsContact C-N 3.32Å; H170-Y172 PolarHBondContact O-N 3.15Å; H170-I173 PolarHBondContact O-N 3.42Å; H170-L174 VanDerWaalsContact CD2-CD1 3.49Å; H170-L174 WeakPolarHBondContact CD2-CD1 3.27Å; H170-L174 WeakPolarHBondContact O-CG 3.46Å; H170-L174 PolarHBondContact O-N 2.96Å
171	S	94.6	Very high	93.9	Very high	35 Å²	35	48.6 Å²	48.6	25%	0.245	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-37.5	176.2	-173.6	0	0	0	0	112.9	A167 K168 V169 L174 R175	A167-S171 PolarHBondContact O-N 2.87Å; K168-S171 PolarHBondContact O-N 2.79Å; V169-S171 VanDerWaalsContact C-N 3.35Å; V169-S171 PolarHBondContact O-N 3.09Å; S171-L174 PolarHBondContact O-N 3.38Å; S171-R175 WeakPolarHBondContact O-CG 3.4Å; S171-R175 PolarHBondContact O-N 3.34Å; S171-R175 VanDerWaalsContact O-N 3.13Å
172	Y	95.6	Very high	94.2	Very high	44 Å²	44	51.9 Å²	51.9	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-45	174.2	-178.9	-85.2	0	0	0	111.8	L145 D147 I150 K168 V169 H170 R175 N176	L145-Y172 HydrophobicContact CD2-CD1 4.08Å; L145-Y172 HydrophobicContact CD2-CD2 3.83Å; L145-Y172 HydrophobicContact CD2-CE2 4.45Å; L145-Y172 HydrophobicContact CD2-CG 3.61Å; L145-Y172 HydrophobicContact CG-CD2 4.45Å; L145-Y172 HydrophobicContact CG-CG 4.47Å; D147-Y172 PolarHBondContact OD1-OH 2.76Å; I150-Y172 HydrophobicContact CD1-CD1 3.63Å; I150-Y172 HydrophobicContact CD1-CE1 4.05Å; K168-Y172 PolarHBondContact O-N 3.07Å; V169-Y172 WeakPolarHBondContact O-CB 3.4Å; V169-Y172 PolarHBondContact O-N 3.41Å; V169-Y172 VanDerWaalsContact O-N 3.17Å; H170-Y172 VanDerWaalsContact C-N 3.32Å; H170-Y172 PolarHBondContact O-N 3.15Å; Y172-R175 PolarHBondContact O-N 3.5Å; Y172-N176 HydrophobicContact CE1-CB 4.39Å; Y172-N176 PolarHBondContact O-N 3.02Å; Y172-N176 VanDerWaalsContact O-N 3.08Å; Y172-N176 PolarHBondContact O-ND2 2.57Å
173	I	96.6	Very high	94.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-45	178.3	-58.1	169.8	0	0	0	110.3	I150 V169 H170 R175 N176 I177 F180 L189 V197	I150-I173 HydrophobicContact CD1-CD1 4.03Å; I150-I173 HydrophobicContact CD1-CG1 3.47Å; I150-I173 VanDerWaalsContact CD1-CG1 3.47Å; V169-I173 HydrophobicContact CG1-CD1 4.28Å; V169-I173 WeakPolarHBondContact O-CG1 3.47Å; V169-I173 PolarHBondContact O-N 3.17Å; H170-I173 PolarHBondContact O-N 3.42Å; I173-R175 PolarHBondContact O-N 3.3Å; I173-N176 PolarHBondContact O-N 2.93Å; I173-I177 HydrophobicContact CG2-CD1 4.24Å; I173-I177 PolarHBondContact O-N 3.03Å; I173-F180 HydrophobicContact CG1-CE1 4.33Å; I173-F180 HydrophobicContact CG2-CD1 4.03Å; I173-F180 HydrophobicContact CG2-CE1 4.16Å; I173-L189 HydrophobicContact CD1-CD1 4.33Å; I173-V197 HydrophobicContact CB-CG1 4.48Å; I173-V197 HydrophobicContact CB-CG2 4.38Å; I173-V197 HydrophobicContact CG2-CB 4.41Å; I173-V197 HydrophobicContact CG2-CG1 3.63Å; I173-V197 HydrophobicContact CG2-CG2 4.02Å
174	L	95.9	Very high	94.5	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-38.4	179.2	-70.7	171.1	0	0	0	112.5	H170 S171 V197 E202 L203 E204	H170-L174 VanDerWaalsContact CD2-CD1 3.49Å; H170-L174 WeakPolarHBondContact CD2-CD1 3.27Å; H170-L174 WeakPolarHBondContact O-CG 3.46Å; H170-L174 PolarHBondContact O-N 2.96Å; S171-L174 PolarHBondContact O-N 3.38Å; L174-V197 HydrophobicContact CD2-CB 4.5Å; L174-V197 HydrophobicContact CD2-CG1 4Å; L174-E202 HydrophobicContact CD1-CB 3.87Å; L174-L203 HydrophobicContact CD2-CB 4.16Å; L174-L203 HydrophobicContact CD2-CD1 3.82Å; L174-E204 PolarHBondContact O-N 2.89Å
175	R	94.6	Very high	94.7	Very high	145 Å²	145	46.6 Å²	46.6	55%	0.547	24%	0.235	S	C	.	.	H	α-helix	trans	-75.1	-35.2	179.7	-77.9	173.1	178.8	170.9	8.4	114.3	S171 Y172 I173 E204	S171-R175 WeakPolarHBondContact O-CG 3.4Å; S171-R175 PolarHBondContact O-N 3.34Å; S171-R175 VanDerWaalsContact O-N 3.13Å; Y172-R175 PolarHBondContact O-N 3.5Å; I173-R175 PolarHBondContact O-N 3.3Å; R175-E204 HydrophobicContact CG-CG 4.3Å; R175-E204 VanDerWaalsContact CG-OE1 3.23Å; R175-E204 WeakPolarHBondContact CG-OE1 3.41Å; R175-E204 IonicContact NE-OE1 3.63Å
176	N	95.2	Very high	94.9	Very high	53 Å²	53	46.6 Å²	46.6	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-110.3	12.1	-169.9	-62.3	-73.8	0	0	0	113.1	Y172 I173 Q178 T179 F180	Y172-N176 HydrophobicContact CE1-CB 4.39Å; Y172-N176 PolarHBondContact O-N 3.02Å; Y172-N176 VanDerWaalsContact O-N 3.08Å; Y172-N176 PolarHBondContact O-ND2 2.57Å; I173-N176 PolarHBondContact O-N 2.93Å; N176-Q178 PolarHBondContact O-N 2.93Å; N176-T179 PolarHBondContact O-N 3.25Å; N176-T179 VanDerWaalsContact O-N 3.13Å; N176-T179 PolarHBondContact O-OG1 3.13Å; N176-F180 HydrophobicContact CB-CB 4.49Å; N176-F180 WeakPolarHBondContact O-CB 3.4Å; N176-F180 PolarHBondContact O-N 3.49Å
177	I	95.7	Very high	95	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-54.3	-34.1	-173.5	-167.3	61.6	0	0	0	113.3	I173 T179 S181 Y186 V197 L198 L203 V205 A214	I173-I177 HydrophobicContact CG2-CD1 4.24Å; I173-I177 PolarHBondContact O-N 3.03Å; I177-T179 PolarHBondContact O-N 3.05Å; I177-S181 WeakPolarHBondContact O-CB 3.35Å; I177-S181 PolarHBondContact O-N 2.8Å; I177-S181 PolarHBondContact O-OG 3.37Å; I177-Y186 HydrophobicContact CD1-CD2 4.44Å; I177-Y186 HydrophobicContact CD1-CE2 3.74Å; I177-V197 HydrophobicContact CD1-CG1 4.22Å; I177-L198 HydrophobicContact CD1-CD2 4.19Å; I177-L198 HydrophobicContact CG1-CD2 4.11Å; I177-L203 HydrophobicContact CB-CD1 3.92Å; I177-L203 HydrophobicContact CG1-CD1 4.13Å; I177-L203 HydrophobicContact CG2-CD1 3.7Å; I177-L203 HydrophobicContact CG2-CG 4.16Å; I177-V205 HydrophobicContact CG2-CG1 3.7Å; I177-A214 HydrophobicContact CG1-CB 4.05Å
178	Q	93	Very high	95.1	Very high	106 Å²	106	51.9 Å²	51.9	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-44.5	-178.6	-170.4	-176.9	30.8	0	0	112	N176 E210	N176-Q178 PolarHBondContact O-N 2.93Å; Q178-E210 PolarHBondContact NE2-OE1 3.08Å
179	T	94.8	Very high	95.2	Very high	76 Å²	76	49.2 Å²	49.2	47%	0.466	23%	0.23	S	C	.	.	H	α-helix	trans	-86	-45.3	178	51.8	0	0	0	0	111	N176 I177 S181 R182	N176-T179 PolarHBondContact O-N 3.25Å; N176-T179 VanDerWaalsContact O-N 3.13Å; N176-T179 PolarHBondContact O-OG1 3.13Å; I177-T179 PolarHBondContact O-N 3.05Å; T179-S181 VanDerWaalsContact C-N 3.33Å; T179-S181 PolarHBondContact O-N 3.24Å; T179-R182 WeakPolarHBondContact O-CB 3.3Å; T179-R182 PolarHBondContact O-N 3.23Å; T179-R182 VanDerWaalsContact O-N 3.17Å
180	F	96	Very high	95.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-36.9	-174.7	179.1	-118.8	0	0	0	112.5	D147 I150 I173 N176 R182 T183 V185 Y186 L189	D147-F180 HydrophobicContact CB-CD2 4.11Å; D147-F180 WeakPolarHBondContact OD1-CD2 3.35Å; I150-F180 HydrophobicContact CD1-CZ 4.28Å; I150-F180 HydrophobicContact CG2-CE2 3.64Å; I150-F180 HydrophobicContact CG2-CZ 3.68Å; I173-F180 HydrophobicContact CG1-CE1 4.33Å; I173-F180 HydrophobicContact CG2-CD1 4.03Å; I173-F180 HydrophobicContact CG2-CE1 4.16Å; N176-F180 HydrophobicContact CB-CB 4.49Å; N176-F180 WeakPolarHBondContact O-CB 3.4Å; N176-F180 PolarHBondContact O-N 3.49Å; F180-R182 PolarHBondContact O-N 2.93Å; F180-T183 HydrophobicContact CD2-CG2 4.38Å; F180-T183 WeakPolarHBondContact O-CB 3.26Å; F180-T183 WeakPolarHBondContact O-CG2 3.42Å; F180-T183 PolarHBondContact O-N 2.88Å; F180-T183 PolarHBondContact O-OG1 3.14Å; F180-V185 HydrophobicContact CE2-CB 4.19Å; F180-V185 HydrophobicContact CE2-CG1 4.04Å; F180-V185 HydrophobicContact CZ-CG1 4.28Å; F180-Y186 AromaticContact CD1-CD2 3.85Å; F180-Y186 HydrophobicContact CD1-CD2 3.85Å; F180-Y186 HydrophobicContact CD1-CG 4.48Å; F180-Y186 AromaticContact CE1-CD2 3.69Å; F180-Y186 HydrophobicContact CE1-CD2 3.69Å; F180-Y186 HydrophobicContact CE1-CG 4.35Å; F180-Y186 WeakPolarHBondContact O-CB 3.36Å; F180-L189 HydrophobicContact CE1-CD1 3.51Å; F180-L189 HydrophobicContact CZ-CD1 3.79Å
181	S	96.7	Very high	95.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.021	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.5	178.9	66.3	0	0	0	0	113.7	I177 T179 T183 Y186 H217	I177-S181 WeakPolarHBondContact O-CB 3.35Å; I177-S181 PolarHBondContact O-N 2.8Å; I177-S181 PolarHBondContact O-OG 3.37Å; T179-S181 VanDerWaalsContact C-N 3.33Å; T179-S181 PolarHBondContact O-N 3.24Å; S181-T183 VanDerWaalsContact C-N 3.31Å; S181-Y186 VanDerWaalsContact O-CD1 3.28Å; S181-Y186 WeakPolarHBondContact O-CD1 3.43Å; S181-H217 WeakPolarHBondContact O-CB 3.36Å; S181-H217 PolarHBondContact OG-ND1 2.67Å
182	R	95.9	Very high	95.2	Very high	112 Å²	112	56 Å²	56	42%	0.423	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.1	179.3	-62.8	172.2	161.5	-123.4	-19.5	112.5	T179 F180 R187 P222 E226	T179-R182 WeakPolarHBondContact O-CB 3.3Å; T179-R182 PolarHBondContact O-N 3.23Å; T179-R182 VanDerWaalsContact O-N 3.17Å; F180-R182 PolarHBondContact O-N 2.93Å; R182-R187 PolarHBondContact O-NH2 3.46Å; R182-P222 HydrophobicContact CB-CG 4.14Å; R182-P222 WeakPolarHBondContact O-CG 3.33Å; R182-E226 IonicContact CZ-OE1 2.81Å; R182-E226 IonicContact NH1-OE1 3.64Å; R182-E226 PolarHBondContact NH1-OE1 3.48Å; R182-E226 IonicContact NH2-OE1 3.78Å; R182-E226 PolarHBondContact NH2-OE1 3.45Å
183	T	95.7	Very high	95.2	Very high	33 Å²	33	55.5 Å²	55.5	20%	0.202	27%	0.267	C	S	.	.	S	Bend	trans	-74.6	158	-176.1	71.3	0	0	0	0	112.5	D147 F180 S181 V185 Y186 R187	D147-T183 HydrophobicContact CB-CG2 4.28Å; F180-T183 HydrophobicContact CD2-CG2 4.38Å; F180-T183 WeakPolarHBondContact O-CB 3.26Å; F180-T183 WeakPolarHBondContact O-CG2 3.42Å; F180-T183 PolarHBondContact O-N 2.88Å; F180-T183 PolarHBondContact O-OG1 3.14Å; S181-T183 VanDerWaalsContact C-N 3.31Å; T183-V185 VanDerWaalsContact C-N 3.26Å; T183-Y186 PolarHBondContact OG1-N 3.24Å; T183-R187 PolarHBondContact O-NH2 3.46Å
184	E	93.4	Very high	95.2	Very high	142 Å²	142	55.5 Å²	55.5	66%	0.664	27%	0.267	S	S	*	.	H	α-helix	trans	-69.3	-28.3	170.2	-65.7	-171.3	167.8	0	0	112.6	Y186 R187	E184-Y186 VanDerWaalsContact C-N 3.32Å; E184-Y186 PolarHBondContact O-N 2.84Å; E184-R187 PolarHBondContact O-N 3.44Å
185	V	95.3	Very high	95.2	Very high	29 Å²	29	56.4 Å²	56.4	18%	0.176	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-41.2	179.9	-178.9	0	0	0	0	110.9	D147 I150 L151 F180 T183 R187 Q188	D147-V185 WeakPolarHBondContact O-CG1 3.42Å; D147-V185 WeakPolarHBondContact O-CG2 3.4Å; I150-V185 HydrophobicContact CG2-CG1 3.69Å; L151-V185 HydrophobicContact CB-CG1 4.47Å; L151-V185 HydrophobicContact CD1-CB 4.39Å; L151-V185 HydrophobicContact CD1-CG1 3.47Å; L151-V185 VanDerWaalsContact CD1-CG1 3.47Å; L151-V185 HydrophobicContact CD2-CG1 4.43Å; L151-V185 HydrophobicContact CG-CG1 3.47Å; L151-V185 VanDerWaalsContact CG-CG1 3.47Å; F180-V185 HydrophobicContact CE2-CB 4.19Å; F180-V185 HydrophobicContact CE2-CG1 4.04Å; F180-V185 HydrophobicContact CZ-CG1 4.28Å; T183-V185 VanDerWaalsContact C-N 3.26Å; V185-R187 VanDerWaalsContact C-N 3.31Å; V185-R187 PolarHBondContact O-N 3.34Å; V185-Q188 WeakPolarHBondContact O-CB 3.48Å; V185-Q188 PolarHBondContact O-N 3.37Å
186	Y	96.1	Very high	95.3	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-57.1	-40.6	175.7	173.3	-109.1	0	0	0	113.3	I177 F180 S181 T183 E184 Q188 L189 V194 A214 H217 Y218	I177-Y186 HydrophobicContact CD1-CD2 4.44Å; I177-Y186 HydrophobicContact CD1-CE2 3.74Å; F180-Y186 AromaticContact CD1-CD2 3.85Å; F180-Y186 HydrophobicContact CD1-CD2 3.85Å; F180-Y186 HydrophobicContact CD1-CG 4.48Å; F180-Y186 AromaticContact CE1-CD2 3.69Å; F180-Y186 HydrophobicContact CE1-CD2 3.69Å; F180-Y186 HydrophobicContact CE1-CG 4.35Å; F180-Y186 WeakPolarHBondContact O-CB 3.36Å; S181-Y186 VanDerWaalsContact O-CD1 3.28Å; S181-Y186 WeakPolarHBondContact O-CD1 3.43Å; T183-Y186 PolarHBondContact OG1-N 3.24Å; E184-Y186 VanDerWaalsContact C-N 3.32Å; E184-Y186 PolarHBondContact O-N 2.84Å; Y186-Q188 PolarHBondContact O-N 3.38Å; Y186-L189 HydrophobicContact CD2-CD1 4.11Å; Y186-L189 WeakPolarHBondContact O-CB 3.4Å; Y186-L189 PolarHBondContact O-N 3.07Å; Y186-V194 HydrophobicContact CE2-CG1 3.79Å; Y186-V194 HydrophobicContact CE2-CG2 4.18Å; Y186-V194 VanDerWaalsContact OH-CG1 3.22Å; Y186-V194 WeakPolarHBondContact OH-CG1 3.37Å; Y186-A214 VanDerWaalsContact CE1-O 3.26Å; Y186-A214 WeakPolarHBondContact CE1-O 3.37Å; Y186-A214 PolarHBondContact OH-O 2.95Å; Y186-H217 HydrophobicContact CE1-CB 4.4Å; Y186-Y218 HydrophobicContact CD1-CD2 4.37Å; Y186-Y218 HydrophobicContact CE1-CD2 4.1Å; Y186-Y218 HydrophobicContact CE1-CG 4.46Å
187	R	95	Very high	95.4	Very high	62 Å²	62	49.9 Å²	49.9	23%	0.234	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-19.1	178.3	-71	179.6	-90.3	-87.5	-5.2	113.4	R182 T183 E184 V185 H217 Y220	R182-R187 PolarHBondContact O-NH2 3.46Å; T183-R187 PolarHBondContact O-NH2 3.46Å; E184-R187 PolarHBondContact O-N 3.44Å; V185-R187 VanDerWaalsContact C-N 3.31Å; V185-R187 PolarHBondContact O-N 3.34Å; R187-H217 WeakPolarHBondContact CD-O 3.39Å; R187-H217 WeakPolarHBondContact CG-O 3.21Å; R187-H217 PolarHBondContact NH1-O 3.26Å; R187-Y220 PolarHBondContact NH1-O 2.87Å
188	Q	95.1	Very high	95.4	Very high	127 Å²	127	49.8 Å²	49.8	59%	0.593	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.3	178.8	-60.8	175.5	22.9	0	0	112.7	L151 V185 Y186	L151-Q188 HydrophobicContact CD1-CB 3.77Å; V185-Q188 WeakPolarHBondContact O-CB 3.48Å; V185-Q188 PolarHBondContact O-N 3.37Å; Y186-Q188 PolarHBondContact O-N 3.38Å
189	L	94.3	Very high	95.5	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-66.3	148.9	177.1	-77.3	170.6	0	0	0	111.7	L151 I173 F180 Y186 K193 V194 Y218	L151-L189 HydrophobicContact CD2-CD2 3.38Å; L151-L189 HydrophobicContact CD2-CG 3.81Å; I173-L189 HydrophobicContact CD1-CD1 4.33Å; F180-L189 HydrophobicContact CE1-CD1 3.51Å; F180-L189 HydrophobicContact CZ-CD1 3.79Å; Y186-L189 HydrophobicContact CD2-CD1 4.11Å; Y186-L189 WeakPolarHBondContact O-CB 3.4Å; Y186-L189 PolarHBondContact O-N 3.07Å; L189-K193 HydrophobicContact CD2-CD 4.29Å; L189-V194 HydrophobicContact CB-CG2 3.61Å; L189-V194 HydrophobicContact CD1-CG2 4.24Å; L189-Y218 PolarHBondContact O-OH 3.28Å
190	P	94.1	Very high	95.6	Very high	64 Å²	64	44.9 Å²	44.9	42%	0.416	23%	0.233	S	C	.	.			trans	-55.5	134.5	172.5	-24	33.7	0	0	0	111.4	E192 K193 V194	P190-E192 VanDerWaalsContact C-N 3.27Å; P190-E192 PolarHBondContact O-N 3.22Å; P190-K193 HydrophobicContact CB-CB 4.24Å; P190-K193 WeakPolarHBondContact O-CB 3.47Å; P190-K193 PolarHBondContact O-N 3.24Å; P190-V194 PolarHBondContact O-N 3.2Å; P190-V194 VanDerWaalsContact O-N 3.14Å
191	P	95.6	Very high	95.5	Very high	55 Å²	55	48.6 Å²	48.6	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-33.6	-174.8	22.7	-33.6	0	0	0	112.9	K193 V194 L195 Y218 M238	P191-K193 VanDerWaalsContact C-N 3.29Å; P191-K193 PolarHBondContact O-N 3.05Å; P191-V194 PolarHBondContact O-N 3.45Å; P191-L195 WeakPolarHBondContact O-CB 3.4Å; P191-L195 PolarHBondContact O-N 3.17Å; P191-Y218 WeakPolarHBondContact CA-OH 3.09Å; P191-Y218 HydrophobicContact CB-CE1 4.37Å; P191-M238 HydrophobicContact CB-CE 4.26Å
192	E	95.3	Very high	95.4	Very high	112 Å²	112	53.6 Å²	53.6	52%	0.523	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-37.7	175.4	-57.6	-53.9	148.7	0	0	111.8	P190 S196 R237	P190-E192 VanDerWaalsContact C-N 3.27Å; P190-E192 PolarHBondContact O-N 3.22Å; E192-S196 WeakPolarHBondContact O-CB 3.44Å; E192-S196 PolarHBondContact O-N 3.15Å; E192-S196 PolarHBondContact O-OG 3.44Å; E192-R237 IonicContact OE1-CZ 3.01Å; E192-R237 VanDerWaalsContact OE1-CZ 3.23Å; E192-R237 IonicContact OE1-NH1 2.64Å; E192-R237 PolarHBondContact OE1-NH1 2.99Å; E192-R237 IonicContact OE1-NH2 2.89Å; E192-R237 PolarHBondContact OE1-NH2 2.67Å; E192-R237 IonicContact OE2-CZ 2.6Å; E192-R237 IonicContact OE2-NH1 2.87Å; E192-R237 IonicContact OE2-NH2 2.87Å; E192-R237 PolarHBondContact OE2-NH2 3.18Å
193	K	94.4	Very high	95.3	Very high	35 Å²	35	48.5 Å²	48.5	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-68.8	-46.6	179.1	-171.1	168.8	-169.4	124.2	0	110.7	D154 L189 P190 P191 L195 S196 V197	D154-K193 WeakPolarHBondContact OD1-CE 3.45Å; D154-K193 IonicContact OD1-NZ 2.58Å; D154-K193 PolarHBondContact OD1-NZ 3.33Å; D154-K193 WeakPolarHBondContact OD2-CD 3.36Å; D154-K193 WeakPolarHBondContact OD2-CE 3.46Å; D154-K193 IonicContact OD2-NZ 3.73Å; D154-K193 PolarHBondContact OD2-NZ 3.21Å; L189-K193 HydrophobicContact CD2-CD 4.29Å; P190-K193 HydrophobicContact CB-CB 4.24Å; P190-K193 WeakPolarHBondContact O-CB 3.47Å; P190-K193 PolarHBondContact O-N 3.24Å; P191-K193 VanDerWaalsContact C-N 3.29Å; P191-K193 PolarHBondContact O-N 3.05Å; K193-L195 PolarHBondContact O-N 3.41Å; K193-S196 PolarHBondContact O-N 3.03Å; K193-S196 PolarHBondContact O-OG 2.85Å; K193-V197 WeakPolarHBondContact O-CG2 3.41Å; K193-V197 PolarHBondContact O-N 2.86Å
194	V	96.8	Very high	95.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-46.1	176.6	-179.7	0	0	0	0	110.9	Y186 L189 P190 P191 S196 V197 L198 Y218 M238	Y186-V194 HydrophobicContact CE2-CG1 3.79Å; Y186-V194 HydrophobicContact CE2-CG2 4.18Å; Y186-V194 VanDerWaalsContact OH-CG1 3.22Å; Y186-V194 WeakPolarHBondContact OH-CG1 3.37Å; L189-V194 HydrophobicContact CB-CG2 3.61Å; L189-V194 HydrophobicContact CD1-CG2 4.24Å; P190-V194 PolarHBondContact O-N 3.2Å; P190-V194 VanDerWaalsContact O-N 3.14Å; P191-V194 PolarHBondContact O-N 3.45Å; V194-S196 VanDerWaalsContact C-N 3.31Å; V194-S196 PolarHBondContact O-N 3.41Å; V194-V197 PolarHBondContact O-N 3.37Å; V194-L198 HydrophobicContact CG1-CD1 3.86Å; V194-L198 HydrophobicContact CG1-CG 4.16Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 WeakPolarHBondContact O-CG 3.41Å; V194-L198 PolarHBondContact O-N 2.97Å; V194-Y218 HydrophobicContact CB-CD2 4.36Å; V194-Y218 HydrophobicContact CB-CE2 4.29Å; V194-Y218 HydrophobicContact CG1-CD2 4.07Å; V194-Y218 HydrophobicContact CG1-CE2 4.5Å; V194-Y218 HydrophobicContact CG1-CG 4.4Å; V194-Y218 HydrophobicContact CG2-CD2 3.91Å; V194-Y218 HydrophobicContact CG2-CE2 3.63Å; V194-M238 HydrophobicContact CB-SD 3.84Å; V194-M238 HydrophobicContact CG1-CG 4.31Å; V194-M238 HydrophobicContact CG1-SD 3.56Å; V194-M238 VanDerWaalsContact CG1-SD 3.56Å
195	L	97.1	Very high	95.1	Very high	24 Å²	24	44.3 Å²	44.3	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-41	177.1	-171.3	68	0	0	0	111.7	P191 K193 S199 M238 A241	P191-L195 WeakPolarHBondContact O-CB 3.4Å; P191-L195 PolarHBondContact O-N 3.17Å; K193-L195 PolarHBondContact O-N 3.41Å; L195-S199 WeakPolarHBondContact O-CB 3.22Å; L195-S199 PolarHBondContact O-N 3.01Å; L195-S199 PolarHBondContact O-OG 3.35Å; L195-M238 HydrophobicContact CB-CE 4.08Å; L195-M238 HydrophobicContact CB-SD 4.23Å; L195-M238 HydrophobicContact CD1-CE 4.34Å; L195-A241 HydrophobicContact CD1-CB 4.03Å
196	S	95.9	Very high	94.8	Very high	58 Å²	58	46 Å²	46	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-42.5	177.2	75.9	0	0	0	0	112.6	E192 K193 V194 S199 S200	E192-S196 WeakPolarHBondContact O-CB 3.44Å; E192-S196 PolarHBondContact O-N 3.15Å; E192-S196 PolarHBondContact O-OG 3.44Å; K193-S196 PolarHBondContact O-N 3.03Å; K193-S196 PolarHBondContact O-OG 2.85Å; V194-S196 VanDerWaalsContact C-N 3.31Å; V194-S196 PolarHBondContact O-N 3.41Å; S196-S199 PolarHBondContact O-N 3.2Å; S196-S200 PolarHBondContact O-N 3.41Å
197	V	96.9	Very high	94.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-52.3	176.9	166.1	0	0	0	0	110	I173 L174 I177 K193 V194 S199 S200 L203	I173-V197 HydrophobicContact CB-CG1 4.48Å; I173-V197 HydrophobicContact CB-CG2 4.38Å; I173-V197 HydrophobicContact CG2-CB 4.41Å; I173-V197 HydrophobicContact CG2-CG1 3.63Å; I173-V197 HydrophobicContact CG2-CG2 4.02Å; L174-V197 HydrophobicContact CD2-CB 4.5Å; L174-V197 HydrophobicContact CD2-CG1 4Å; I177-V197 HydrophobicContact CD1-CG1 4.22Å; K193-V197 WeakPolarHBondContact O-CG2 3.41Å; K193-V197 PolarHBondContact O-N 2.86Å; V194-V197 PolarHBondContact O-N 3.37Å; V197-S199 PolarHBondContact O-N 3.18Å; V197-S200 VanDerWaalsContact O-CB 3.28Å; V197-S200 WeakPolarHBondContact O-CB 3.42Å; V197-S200 PolarHBondContact O-N 2.9Å; V197-S200 VanDerWaalsContact O-N 3.13Å; V197-L203 HydrophobicContact CG1-CD1 3.87Å
198	L	96.8	Very high	94.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-23.7	-178.8	-66	-179.4	0	0	0	112.6	I177 V194 L203 V211 A214 A215 M238 A241 R292	I177-L198 HydrophobicContact CD1-CD2 4.19Å; I177-L198 HydrophobicContact CG1-CD2 4.11Å; V194-L198 HydrophobicContact CG1-CD1 3.86Å; V194-L198 HydrophobicContact CG1-CG 4.16Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 WeakPolarHBondContact O-CG 3.41Å; V194-L198 PolarHBondContact O-N 2.97Å; L198-L203 HydrophobicContact CD2-CD2 4.46Å; L198-V211 HydrophobicContact CB-CG1 4.45Å; L198-V211 HydrophobicContact CD2-CG1 4.21Å; L198-A214 HydrophobicContact CD2-CB 3.94Å; L198-A215 HydrophobicContact CD1-CB 4.04Å; L198-M238 HydrophobicContact CD1-CB 4.09Å; L198-A241 HydrophobicContact CB-CB 3.59Å; L198-R292 PolarHBondContact O-NH1 2.73Å; L198-R292 PolarHBondContact O-NH2 3.17Å
199	S	95.4	Very high	94.5	Very high	55 Å²	55	42.3 Å²	42.3	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-85.6	-14.8	177.5	-58.4	0	0	0	0	113.3	L195 S196 V197 R243 R292	L195-S199 WeakPolarHBondContact O-CB 3.22Å; L195-S199 PolarHBondContact O-N 3.01Å; L195-S199 PolarHBondContact O-OG 3.35Å; S196-S199 PolarHBondContact O-N 3.2Å; V197-S199 PolarHBondContact O-N 3.18Å; S199-R243 PolarHBondContact O-NH2 3.42Å; S199-R243 VanDerWaalsContact O-NH2 3.17Å; S199-R292 VanDerWaalsContact C-NH1 3.34Å; S199-R292 PolarHBondContact O-NH1 3.08Å
200	S	95.3	Very high	94.6	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	25%	0.247	C	C	.	.			trans	-64	146	-175.3	-173.3	0	0	0	0	113	S196 V197 E202 R292	S196-S200 PolarHBondContact O-N 3.41Å; V197-S200 VanDerWaalsContact O-CB 3.28Å; V197-S200 WeakPolarHBondContact O-CB 3.42Å; V197-S200 PolarHBondContact O-N 2.9Å; V197-S200 VanDerWaalsContact O-N 3.13Å; S200-E202 VanDerWaalsContact C-N 3.3Å; S200-E202 PolarHBondContact OG-N 3.41Å; S200-R292 PolarHBondContact O-NH1 3.13Å; S200-R292 VanDerWaalsContact O-NH1 3.14Å
201	D	94	Very high	94.7	Very high	78 Å²	78	40.6 Å²	40.6	42%	0.417	23%	0.228	S	C	.	.	S	Bend	trans	-78.6	-15.3	168.3	-71.3	-39.3	0	0	0	112.5	L203 R243 R292 S293	D201-L203 VanDerWaalsContact C-N 3.33Å; D201-R243 IonicContact OD1-CZ 2.71Å; D201-R243 IonicContact OD1-NH1 3.45Å; D201-R243 PolarHBondContact OD1-NH1 3.45Å; D201-R243 IonicContact OD1-NH2 3Å; D201-R243 PolarHBondContact OD1-NH2 2.54Å; D201-R292 CarbonylContact O-C 3.45Å; D201-S293 CarbonylContact O-C 3.59Å; D201-S293 WeakPolarHBondContact O-CA 3.48Å; D201-S293 PolarHBondContact O-N 3.01Å
202	E	94.2	Very high	94.7	Very high	108 Å²	108	39.1 Å²	39.1	51%	0.505	22%	0.215	S	C	.	.	S	Bend	trans	-89.1	-0.2	178.1	-59.3	-173.1	176.4	0	0	113.1	L174 S200 E204	L174-E202 HydrophobicContact CD1-CB 3.87Å; S200-E202 VanDerWaalsContact C-N 3.3Å; S200-E202 PolarHBondContact OG-N 3.41Å; E202-E204 PolarHBondContact O-N 2.92Å
203	L	94.9	Very high	94.7	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.205	C	C	.	.			trans	-63.2	119.1	179.9	-171.1	69.7	0	0	0	110.2	L174 I177 V197 L198 D201 V205 V211	L174-L203 HydrophobicContact CD2-CB 4.16Å; L174-L203 HydrophobicContact CD2-CD1 3.82Å; I177-L203 HydrophobicContact CB-CD1 3.92Å; I177-L203 HydrophobicContact CG1-CD1 4.13Å; I177-L203 HydrophobicContact CG2-CD1 3.7Å; I177-L203 HydrophobicContact CG2-CG 4.16Å; V197-L203 HydrophobicContact CG1-CD1 3.87Å; L198-L203 HydrophobicContact CD2-CD2 4.46Å; D201-L203 VanDerWaalsContact C-N 3.33Å; L203-V205 HydrophobicContact CD2-CG1 4.13Å; L203-V205 HydrophobicContact CD2-CG2 4.38Å; L203-V205 HydrophobicContact CG-CG1 4.07Å; L203-V205 HydrophobicContact CG-CG2 4.46Å; L203-V205 PolarHBondContact O-N 2.9Å; L203-V205 VanDerWaalsContact O-N 3.07Å; L203-V211 HydrophobicContact CD2-CG1 4.28Å; L203-V211 HydrophobicContact CD2-CG2 3.78Å
204	E	92.1	Very high	94.9	Very high	76 Å²	76	35.3 Å²	35.3	36%	0.355	20%	0.198	S	C	.	.			trans	-85.3	85.5	-176.2	-61.1	-160.8	-151.3	0	0	110.6	L174 R175 E202 R594	L174-E204 PolarHBondContact O-N 2.89Å; R175-E204 HydrophobicContact CG-CG 4.3Å; R175-E204 VanDerWaalsContact CG-OE1 3.23Å; R175-E204 WeakPolarHBondContact CG-OE1 3.41Å; R175-E204 IonicContact NE-OE1 3.63Å; E202-E204 PolarHBondContact O-N 2.92Å; E204-R594 IonicContact OE2-NH1 2.72Å; E204-R594 IonicContact OE2-NH2 3.69Å
205	V	91.8	Very high	94.9	Very high	11 Å²	11	35.2 Å²	35.2	7%	0.067	20%	0.198	C	C	.	.			trans	-124.7	150.8	176	-71.6	0	0	0	0	111.7	I177 L203 E210 V211	I177-V205 HydrophobicContact CG2-CG1 3.7Å; L203-V205 HydrophobicContact CD2-CG1 4.13Å; L203-V205 HydrophobicContact CD2-CG2 4.38Å; L203-V205 HydrophobicContact CG-CG1 4.07Å; L203-V205 HydrophobicContact CG-CG2 4.46Å; L203-V205 PolarHBondContact O-N 2.9Å; L203-V205 VanDerWaalsContact O-N 3.07Å; V205-E210 WeakPolarHBondContact CA-OE2 3.32Å; V205-E210 HydrophobicContact CB-CB 4.26Å; V205-E210 WeakPolarHBondContact CB-OE2 3.19Å; V205-E210 HydrophobicContact CG1-CB 4.03Å; V205-V211 HydrophobicContact CB-CG2 4.34Å; V205-V211 HydrophobicContact CG1-CG2 4.09Å; V205-V211 HydrophobicContact CG2-CG2 3.76Å
206	S	89	Confident	94.8	Very high	65 Å²	65	34.3 Å²	34.3	46%	0.455	19%	0.193	S	C	.	.	S	Bend	trans	-82.1	-24.5	176.2	-55.9	0	0	0	0	112.2	E210	S206-E210 PolarHBondContact N-OE2 3.22Å
207	S	92.3	Very high	94.9	Very high	51 Å²	51	31.6 Å²	31.6	36%	0.357	17%	0.174	S	C	.	.	S	Bend	trans	-157.6	159.4	178.7	70	0	0	0	0	112.2	N209 E210	S207-N209 PolarHBondContact O-N 2.92Å; S207-N209 VanDerWaalsContact O-N 3.16Å; S207-N209 PolarHBondContact OG-N 3.13Å; S207-E210 PolarHBondContact O-N 3.32Å; S207-E210 VanDerWaalsContact O-N 3.12Å
208	E	94.6	Very high	94.9	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-14.8	172	-75.6	-59.7	134.9	0	0	113.5	E210 V211 Y212 R243 L246 M247 R292	E208-E210 VanDerWaalsContact C-N 3.28Å; E208-E210 PolarHBondContact O-N 3.11Å; E208-V211 PolarHBondContact O-N 3.36Å; E208-Y212 PolarHBondContact O-N 2.91Å; E208-R243 HydrophobicContact CG-CB 3.93Å; E208-R243 WeakPolarHBondContact OE2-CB 3.28Å; E208-R243 PolarHBondContact OE2-N 2.8Å; E208-L246 HydrophobicContact CG-CB 3.74Å; E208-L246 HydrophobicContact CG-CD1 4.49Å; E208-M247 HydrophobicContact CB-CG 3.59Å; E208-R292 WeakPolarHBondContact OE1-CD 3.09Å; E208-R292 IonicContact OE1-CZ 2.72Å; E208-R292 IonicContact OE1-NE 3.65Å; E208-R292 PolarHBondContact OE1-NE 3.45Å; E208-R292 IonicContact OE1-NH2 2.65Å; E208-R292 IonicContact OE2-CZ 2.53Å; E208-R292 IonicContact OE2-NE 2.74Å; E208-R292 PolarHBondContact OE2-NE 2.99Å; E208-R292 IonicContact OE2-NH2 3.15Å; E208-R292 PolarHBondContact OE2-NH2 3.5Å
209	N	94.6	Very high	94.8	Very high	51 Å²	51	36.5 Å²	36.5	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-64	-36.4	172.4	-174.3	79.3	0	0	0	111.5	S207 V211 Y212 E213 M247	S207-N209 PolarHBondContact O-N 2.92Å; S207-N209 VanDerWaalsContact O-N 3.16Å; S207-N209 PolarHBondContact OG-N 3.13Å; N209-V211 VanDerWaalsContact C-N 3.3Å; N209-V211 PolarHBondContact O-N 2.69Å; N209-Y212 WeakPolarHBondContact O-CB 3.39Å; N209-Y212 PolarHBondContact O-N 3.13Å; N209-E213 PolarHBondContact ND2-OE1 2.8Å; N209-E213 WeakPolarHBondContact O-CG 3.48Å; N209-E213 PolarHBondContact O-N 3.48Å; N209-M247 HydrophobicContact CB-CE 4.46Å
210	E	94.9	Very high	94.8	Very high	31 Å²	31	35.3 Å²	35.3	15%	0.145	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-34.8	176	-64.2	175.6	172.7	0	0	111.4	Q178 V205 S206 S207 E208 E213 A214	Q178-E210 PolarHBondContact NE2-OE1 3.08Å; V205-E210 WeakPolarHBondContact CA-OE2 3.32Å; V205-E210 HydrophobicContact CB-CB 4.26Å; V205-E210 WeakPolarHBondContact CB-OE2 3.19Å; V205-E210 HydrophobicContact CG1-CB 4.03Å; S206-E210 PolarHBondContact N-OE2 3.22Å; S207-E210 PolarHBondContact O-N 3.32Å; S207-E210 VanDerWaalsContact O-N 3.12Å; E208-E210 VanDerWaalsContact C-N 3.28Å; E208-E210 PolarHBondContact O-N 3.11Å; E210-E213 PolarHBondContact O-N 3.18Å; E210-A214 VanDerWaalsContact O-CB 3.29Å; E210-A214 WeakPolarHBondContact O-CB 3.34Å; E210-A214 PolarHBondContact O-N 2.85Å
211	V	96.6	Very high	94.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-68.4	-42.2	174.5	-170.2	0	0	0	0	110.7	L198 L203 V205 E208 N209 A214 A215 V242	L198-V211 HydrophobicContact CB-CG1 4.45Å; L198-V211 HydrophobicContact CD2-CG1 4.21Å; L203-V211 HydrophobicContact CD2-CG1 4.28Å; L203-V211 HydrophobicContact CD2-CG2 3.78Å; V205-V211 HydrophobicContact CB-CG2 4.34Å; V205-V211 HydrophobicContact CG1-CG2 4.09Å; V205-V211 HydrophobicContact CG2-CG2 3.76Å; E208-V211 PolarHBondContact O-N 3.36Å; N209-V211 VanDerWaalsContact C-N 3.3Å; N209-V211 PolarHBondContact O-N 2.69Å; V211-A214 PolarHBondContact O-N 2.92Å; V211-A215 WeakPolarHBondContact O-CB 3.3Å; V211-A215 PolarHBondContact O-N 2.65Å; V211-V242 HydrophobicContact CG1-CG2 4.29Å
212	Y	96.1	Very high	94.7	Very high	23 Å²	23	33.3 Å²	33.3	9%	0.09	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-46.7	174.2	174.8	-103.8	0	0	0	111.6	E208 N209 A215 L216 L239 F244 M247 L255	E208-Y212 PolarHBondContact O-N 2.91Å; N209-Y212 WeakPolarHBondContact O-CB 3.39Å; N209-Y212 PolarHBondContact O-N 3.13Å; Y212-A215 PolarHBondContact O-N 2.74Å; Y212-L216 HydrophobicContact CD1-CD1 4.19Å; Y212-L216 HydrophobicContact CE1-CD1 3.53Å; Y212-L216 HydrophobicContact CE1-CG 4.38Å; Y212-L216 HydrophobicContact CE2-CD1 4.3Å; Y212-L216 HydrophobicContact CE2-CG 4.43Å; Y212-L216 WeakPolarHBondContact O-CG 3.34Å; Y212-L216 PolarHBondContact O-N 3.13Å; Y212-L239 HydrophobicContact CD2-CD2 3.66Å; Y212-L239 HydrophobicContact CE2-CD2 3.73Å; Y212-F244 AromaticContact CD2-CE1 3.99Å; Y212-F244 HydrophobicContact CD2-CE1 3.99Å; Y212-F244 HydrophobicContact CD2-CZ 4.34Å; Y212-F244 HydrophobicContact CE2-CE1 4.28Å; Y212-M247 HydrophobicContact CD1-CE 4.47Å; Y212-M247 HydrophobicContact CG-CE 4.25Å; Y212-L255 HydrophobicContact CE2-CD2 4.3Å
213	E	95.8	Very high	94.6	Very high	66 Å²	66	35.2 Å²	35.2	31%	0.308	18%	0.183	S	C	.	.	H	α-helix	trans	-62.9	-46.3	175.4	-73.5	175.6	-165.1	0	0	112	N209 E210 A215 L216 H217	N209-E213 PolarHBondContact ND2-OE1 2.8Å; N209-E213 WeakPolarHBondContact O-CG 3.48Å; N209-E213 PolarHBondContact O-N 3.48Å; E210-E213 PolarHBondContact O-N 3.18Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 3.14Å; E213-L216 CarbonylContact O-C 3.55Å; E213-L216 PolarHBondContact O-N 3.32Å; E213-L216 VanDerWaalsContact O-N 3.08Å; E213-H217 VanDerWaalsContact O-CG 3.24Å; E213-H217 PolarHBondContact O-N 3.24Å; E213-H217 PolarHBondContact O-ND1 3.01Å
214	A	97.4	Very high	94.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-35.6	177.1	0	0	0	0	0	112.6	I177 Y186 L198 E210 V211 Y218	I177-A214 HydrophobicContact CG1-CB 4.05Å; Y186-A214 VanDerWaalsContact CE1-O 3.26Å; Y186-A214 WeakPolarHBondContact CE1-O 3.37Å; Y186-A214 PolarHBondContact OH-O 2.95Å; L198-A214 HydrophobicContact CD2-CB 3.94Å; E210-A214 VanDerWaalsContact O-CB 3.29Å; E210-A214 WeakPolarHBondContact O-CB 3.34Å; E210-A214 PolarHBondContact O-N 2.85Å; V211-A214 PolarHBondContact O-N 2.92Å; A214-Y218 PolarHBondContact O-N 2.84Å
215	A	97.1	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-39.8	173.2	0	0	0	0	0	111.8	L198 V211 Y212 E213 H219 M238 L239 V242	L198-A215 HydrophobicContact CD1-CB 4.04Å; V211-A215 WeakPolarHBondContact O-CB 3.3Å; V211-A215 PolarHBondContact O-N 2.65Å; Y212-A215 PolarHBondContact O-N 2.74Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 3.14Å; A215-H219 PolarHBondContact O-CD2 3.35Å; A215-M238 HydrophobicContact CB-CB 3.77Å; A215-L239 HydrophobicContact CB-CD2 3.84Å; A215-V242 HydrophobicContact CB-CG2 4.1Å
216	L	96.2	Very high	94.5	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-39.7	175	-69.1	-177.7	0	0	0	112.7	Y212 E213 Y218 H219 Y220 V225 L232 L236 L239	Y212-L216 HydrophobicContact CD1-CD1 4.19Å; Y212-L216 HydrophobicContact CE1-CD1 3.53Å; Y212-L216 HydrophobicContact CE1-CG 4.38Å; Y212-L216 HydrophobicContact CE2-CD1 4.3Å; Y212-L216 HydrophobicContact CE2-CG 4.43Å; Y212-L216 WeakPolarHBondContact O-CG 3.34Å; Y212-L216 PolarHBondContact O-N 3.13Å; E213-L216 CarbonylContact O-C 3.55Å; E213-L216 PolarHBondContact O-N 3.32Å; E213-L216 VanDerWaalsContact O-N 3.08Å; L216-Y218 PolarHBondContact O-N 3.25Å; L216-Y218 VanDerWaalsContact O-N 3.13Å; L216-H219 PolarHBondContact O-N 3.36Å; L216-Y220 PolarHBondContact O-N 3.17Å; L216-V225 HydrophobicContact CB-CG1 4.28Å; L216-V225 HydrophobicContact CB-CG2 3.85Å; L216-V225 HydrophobicContact CD1-CG1 4.13Å; L216-L232 HydrophobicContact CD2-CD2 3.85Å; L216-L236 HydrophobicContact CD2-CD1 3.94Å; L216-L239 HydrophobicContact CD2-CD1 4.48Å; L216-L239 HydrophobicContact CD2-CD2 4.14Å; L216-L239 HydrophobicContact CG-CD2 4.46Å
217	H	97	Very high	94.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-19.9	179.2	-66.3	149.1	0	0	0	113.7	S181 Y186 R187 E213 H219 Y220	S181-H217 WeakPolarHBondContact O-CB 3.36Å; S181-H217 PolarHBondContact OG-ND1 2.67Å; Y186-H217 HydrophobicContact CE1-CB 4.4Å; R187-H217 WeakPolarHBondContact CD-O 3.39Å; R187-H217 WeakPolarHBondContact CG-O 3.21Å; R187-H217 PolarHBondContact NH1-O 3.26Å; E213-H217 VanDerWaalsContact O-CG 3.24Å; E213-H217 PolarHBondContact O-N 3.24Å; E213-H217 PolarHBondContact O-ND1 3.01Å; H217-H219 VanDerWaalsContact C-N 3.3Å; H217-Y220 CarbonylContact C-O 3.56Å; H217-Y220 WeakPolarHBondContact CA-O 3.36Å
218	Y	97	Very high	94.2	Very high	38 Å²	38	43 Å²	43	15%	0.149	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-31.6	172.3	-169.8	-105.7	0	0	0	112	Y186 L189 P191 V194 A214 L216 M238	Y186-Y218 HydrophobicContact CD1-CD2 4.37Å; Y186-Y218 HydrophobicContact CE1-CD2 4.1Å; Y186-Y218 HydrophobicContact CE1-CG 4.46Å; L189-Y218 PolarHBondContact O-OH 3.28Å; P191-Y218 WeakPolarHBondContact CA-OH 3.09Å; P191-Y218 HydrophobicContact CB-CE1 4.37Å; V194-Y218 HydrophobicContact CB-CD2 4.36Å; V194-Y218 HydrophobicContact CB-CE2 4.29Å; V194-Y218 HydrophobicContact CG1-CD2 4.07Å; V194-Y218 HydrophobicContact CG1-CE2 4.5Å; V194-Y218 HydrophobicContact CG1-CG 4.4Å; V194-Y218 HydrophobicContact CG2-CD2 3.91Å; V194-Y218 HydrophobicContact CG2-CE2 3.63Å; A214-Y218 PolarHBondContact O-N 2.84Å; L216-Y218 PolarHBondContact O-N 3.25Å; L216-Y218 VanDerWaalsContact O-N 3.13Å; Y218-M238 HydrophobicContact CD1-CG 3.49Å; Y218-M238 VanDerWaalsContact CD1-CG 3.49Å; Y218-M238 HydrophobicContact CD1-SD 4.21Å; Y218-M238 HydrophobicContact CE1-CG 4.25Å; Y218-M238 HydrophobicContact CE1-SD 4.47Å; Y218-M238 HydrophobicContact CG-CG 3.82Å
219	H	94.3	Very high	93.8	Very high	67 Å²	67	49 Å²	49	31%	0.31	24%	0.243	S	C	.	.	H	α-helix	trans	-100.9	-24.8	-176.2	-64.1	-68.3	0	0	0	113.6	A215 L216 H217 L236	A215-H219 PolarHBondContact O-CD2 3.35Å; L216-H219 PolarHBondContact O-N 3.36Å; H217-H219 VanDerWaalsContact C-N 3.3Å; H219-L236 HydrophobicContact CB-CD2 3.78Å
220	Y	94.9	Very high	93.6	Very high	29 Å²	29	47.6 Å²	47.6	11%	0.114	24%	0.236	C	C	.	.	S	Bend	trans	-132.8	159.5	-174.9	-58.7	-76.4	0	0	0	111.6	R187 L216 H217 V230 S231 L236	R187-Y220 PolarHBondContact NH1-O 2.87Å; L216-Y220 PolarHBondContact O-N 3.17Å; H217-Y220 CarbonylContact C-O 3.56Å; H217-Y220 WeakPolarHBondContact CA-O 3.36Å; Y220-V230 HydrophobicContact CD1-CG1 4.29Å; Y220-V230 HydrophobicContact CD2-CB 4.09Å; Y220-V230 HydrophobicContact CD2-CG1 3.75Å; Y220-V230 HydrophobicContact CE2-CB 4.08Å; Y220-V230 HydrophobicContact CE2-CG1 4.26Å; Y220-V230 HydrophobicContact CG-CB 4.38Å; Y220-V230 HydrophobicContact CG-CG1 3.77Å; Y220-S231 PolarHBondContact OH-N 2.95Å; Y220-S231 PolarHBondContact OH-O 3.45Å; Y220-L236 HydrophobicContact CE2-CD1 4.09Å; Y220-L236 HydrophobicContact CE2-CD2 3.82Å
221	S	93.8	Very high	93.3	Very high	35 Å²	35	48.5 Å²	48.5	25%	0.245	25%	0.246	C	C	.	.			trans	-69.8	156.1	172.2	78.5	0	0	0	0	111	E223 Q224 V225	S221-E223 PolarHBondContact O-N 2.98Å; S221-Q224 WeakPolarHBondContact O-CB 3.22Å; S221-Q224 PolarHBondContact O-N 3.23Å; S221-Q224 VanDerWaalsContact O-N 3.09Å; S221-Q224 WeakPolarHBondContact OG-CG 3.18Å; S221-Q224 PolarHBondContact OG-N 3.01Å; S221-Q224 PolarHBondContact OG-OE1 3.47Å; S221-V225 PolarHBondContact O-N 2.95Å; S221-V225 VanDerWaalsContact O-N 3.12Å
222	P	93.6	Very high	92.8	Very high	25 Å²	25	49.2 Å²	49.2	16%	0.162	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-39.5	177.9	-21.6	34.7	0	0	0	111.7	R182 Q224 V225 E226	R182-P222 HydrophobicContact CB-CG 4.14Å; R182-P222 WeakPolarHBondContact O-CG 3.33Å; P222-Q224 VanDerWaalsContact C-N 3.3Å; P222-Q224 PolarHBondContact O-N 3.27Å; P222-V225 PolarHBondContact O-N 2.73Å; P222-E226 WeakPolarHBondContact O-CB 3.39Å; P222-E226 WeakPolarHBondContact O-CG 3.48Å; P222-E226 PolarHBondContact O-N 3.07Å
223	E	93.3	Very high	92	Very high	149 Å²	149	54.1 Å²	54.1	70%	0.696	27%	0.274	S	S	*	.	H	α-helix	trans	-58.6	-40.9	176.2	-62.7	177.6	175.4	0	0	112	S221 T227	S221-E223 PolarHBondContact O-N 2.98Å; E223-T227 WeakPolarHBondContact O-CB 3.47Å; E223-T227 WeakPolarHBondContact O-CG2 3.19Å; E223-T227 PolarHBondContact O-N 3.26Å; E223-T227 PolarHBondContact O-OG1 3Å
224	Q	93.3	Very high	91.3	Very high	73 Å²	73	55.4 Å²	55.4	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-67.8	-40	177.5	-71.7	174.3	-53.9	0	0	112	S221 P222 D228 Q229	S221-Q224 WeakPolarHBondContact O-CB 3.22Å; S221-Q224 PolarHBondContact O-N 3.23Å; S221-Q224 VanDerWaalsContact O-N 3.09Å; S221-Q224 WeakPolarHBondContact OG-CG 3.18Å; S221-Q224 PolarHBondContact OG-N 3.01Å; S221-Q224 PolarHBondContact OG-OE1 3.47Å; P222-Q224 VanDerWaalsContact C-N 3.3Å; P222-Q224 PolarHBondContact O-N 3.27Å; Q224-D228 PolarHBondContact O-N 2.99Å; Q224-D228 VanDerWaalsContact O-N 3.17Å; Q224-Q229 PolarHBondContact O-N 2.9Å
225	V	91.9	Very high	90.6	Very high	20 Å²	20	62.2 Å²	62.2	12%	0.121	32%	0.319	C	S	.	.	H	α-helix	trans	-67.6	-46.4	178	179.2	0	0	0	0	110.6	L216 S221 P222 T227 D228 V230	L216-V225 HydrophobicContact CB-CG1 4.28Å; L216-V225 HydrophobicContact CB-CG2 3.85Å; L216-V225 HydrophobicContact CD1-CG1 4.13Å; S221-V225 PolarHBondContact O-N 2.95Å; S221-V225 VanDerWaalsContact O-N 3.12Å; P222-V225 PolarHBondContact O-N 2.73Å; V225-T227 PolarHBondContact O-N 3.34Å; V225-D228 PolarHBondContact O-N 2.83Å; V225-V230 HydrophobicContact CG2-CG1 4.01Å
226	E	90.7	Very high	90.4	Very high	116 Å²	116	62.9 Å²	62.9	54%	0.542	32%	0.323	S	S	.	.	H	α-helix	trans	-68.6	-34.3	-178.6	-69.5	178.3	170.1	0	0	112.9	R182 P222 D228	R182-E226 IonicContact CZ-OE1 2.81Å; R182-E226 IonicContact NH1-OE1 3.64Å; R182-E226 PolarHBondContact NH1-OE1 3.48Å; R182-E226 IonicContact NH2-OE1 3.78Å; R182-E226 PolarHBondContact NH2-OE1 3.45Å; P222-E226 WeakPolarHBondContact O-CB 3.39Å; P222-E226 WeakPolarHBondContact O-CG 3.48Å; P222-E226 PolarHBondContact O-N 3.07Å; E226-D228 VanDerWaalsContact C-N 3.28Å
227	T	89.8	Confident	90.2	Very high	81 Å²	81	66.5 Å²	66.5	50%	0.497	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.1	175.1	61.6	0	0	0	0	113.9	E223 V225 Q229	E223-T227 WeakPolarHBondContact O-CB 3.47Å; E223-T227 WeakPolarHBondContact O-CG2 3.19Å; E223-T227 PolarHBondContact O-N 3.26Å; E223-T227 PolarHBondContact O-OG1 3Å; V225-T227 PolarHBondContact O-N 3.34Å; T227-Q229 PolarHBondContact O-N 3.17Å; T227-Q229 WeakPolarHBondContact OG1-CG 3.41Å
228	D	85.3	Confident	90.1	Very high	80 Å²	80	66.5 Å²	66.5	43%	0.428	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	27.5	177.5	-156.6	36.8	0	0	0	114.8	Q224 V225 E226 V230 R258	Q224-D228 PolarHBondContact O-N 2.99Å; Q224-D228 VanDerWaalsContact O-N 3.17Å; V225-D228 PolarHBondContact O-N 2.83Å; E226-D228 VanDerWaalsContact C-N 3.28Å; D228-V230 VanDerWaalsContact C-N 3.28Å; D228-V230 PolarHBondContact O-N 2.8Å; D228-R258 IonicContact OD1-CZ 3.23Å; D228-R258 IonicContact OD1-NH1 2.75Å; D228-R258 PolarHBondContact OD1-NH1 3.01Å; D228-R258 IonicContact OD1-NH2 2.84Å; D228-R258 PolarHBondContact OD1-NH2 3.06Å; D228-R258 IonicContact OD2-CZ 3.17Å; D228-R258 IonicContact OD2-NE 3.19Å; D228-R258 IonicContact OD2-NH1 3.64Å; D228-R258 PolarHBondContact OD2-NH1 3.04Å; D228-R258 IonicContact OD2-NH2 3.58Å; D228-R258 PolarHBondContact OD2-NH2 3.08Å
229	Q	87.3	Confident	90	Very high	136 Å²	136	65.2 Å²	65.2	64%	0.636	33%	0.332	S	S	*	.			trans	-91.5	45.8	178.5	-62.5	-175.2	16.2	0	0	112	Q224 T227	Q224-Q229 PolarHBondContact O-N 2.9Å; T227-Q229 PolarHBondContact O-N 3.17Å; T227-Q229 WeakPolarHBondContact OG1-CG 3.41Å
230	V	88.6	Confident	90	Very high	22 Å²	22	67.2 Å²	67.2	13%	0.133	34%	0.341	C	S	.	.			trans	-109.9	144.3	-178	-63.3	0	0	0	0	112.2	Y220 V225 D228 L232	Y220-V230 HydrophobicContact CD1-CG1 4.29Å; Y220-V230 HydrophobicContact CD2-CB 4.09Å; Y220-V230 HydrophobicContact CD2-CG1 3.75Å; Y220-V230 HydrophobicContact CE2-CB 4.08Å; Y220-V230 HydrophobicContact CE2-CG1 4.26Å; Y220-V230 HydrophobicContact CG-CB 4.38Å; Y220-V230 HydrophobicContact CG-CG1 3.77Å; V225-V230 HydrophobicContact CG2-CG1 4.01Å; D228-V230 VanDerWaalsContact C-N 3.28Å; D228-V230 PolarHBondContact O-N 2.8Å; V230-L232 HydrophobicContact CG2-CD2 3.86Å; V230-L232 HydrophobicContact CG2-CG 4.05Å
231	S	88.6	Confident	90	Very high	51 Å²	51	66 Å²	66	36%	0.357	34%	0.337	S	S	.	.			trans	-96.5	94	176.3	173.8	0	0	0	0	110.6	Y220 Q233 D234	Y220-S231 PolarHBondContact OH-N 2.95Å; Y220-S231 PolarHBondContact OH-O 3.45Å; S231-Q233 PolarHBondContact O-N 3.37Å; S231-Q233 VanDerWaalsContact O-N 3.11Å; S231-D234 WeakPolarHBondContact CB-OD2 3.46Å; S231-D234 PolarHBondContact OG-OD2 2.84Å
232	L	86.4	Confident	90	Very high	16 Å²	16	64.4 Å²	64.4	8%	0.084	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	12.8	-179.3	-57	178	0	0	0	114.1	L216 V230 L236 L255 L259 L264	L216-L232 HydrophobicContact CD2-CD2 3.85Å; V230-L232 HydrophobicContact CG2-CD2 3.86Å; V230-L232 HydrophobicContact CG2-CG 4.05Å; L232-L236 HydrophobicContact CD2-CD1 4.08Å; L232-L255 HydrophobicContact CD1-CD1 3.74Å; L232-L259 HydrophobicContact CB-CD2 3.54Å; L232-L259 HydrophobicContact CD1-CD2 3.84Å; L232-L259 HydrophobicContact CG-CD2 4.36Å; L232-L264 HydrophobicContact CB-CD2 4.19Å
233	Q	80.2	Confident	90.1	Very high	125 Å²	125	63.9 Å²	63.9	58%	0.584	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-15.9	175.6	-65.5	-164.8	34.4	0	0	112.9	S231 N260	S231-Q233 PolarHBondContact O-N 3.37Å; S231-Q233 VanDerWaalsContact O-N 3.11Å; Q233-N260 PolarHBondContact NE2-ND2 3.31Å
234	D	81.4	Confident	90.3	Very high	93 Å²	93	57.4 Å²	57.4	50%	0.497	29%	0.29	S	S	.	.	S	Bend	trans	-76.1	161.1	-179.9	-61.7	-48	0	0	0	111.3	S231 L236	S231-D234 WeakPolarHBondContact CB-OD2 3.46Å; S231-D234 PolarHBondContact OG-OD2 2.84Å; D234-L236 HydrophobicContact CB-CD2 4.34Å; D234-L236 PolarHBondContact O-N 2.86Å
235	N	82.4	Confident	90.3	Very high	145 Å²	145	54.8 Å²	54.8	78%	0.775	28%	0.28	S	S	*	.			trans	-75.4	89.4	175.2	-172.4	15.1	0	0	0	110.4	R237	N235-R237 PolarHBondContact O-N 2.77Å
236	L	91.7	Very high	90.4	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.073	28%	0.281	C	S	.	.			trans	-91.4	81.4	-179.6	-57.5	175.9	0	0	0	109.9	L216 H219 Y220 L232 D234 M238 L239	L216-L236 HydrophobicContact CD2-CD1 3.94Å; H219-L236 HydrophobicContact CB-CD2 3.78Å; Y220-L236 HydrophobicContact CE2-CD1 4.09Å; Y220-L236 HydrophobicContact CE2-CD2 3.82Å; L232-L236 HydrophobicContact CD2-CD1 4.08Å; D234-L236 HydrophobicContact CB-CD2 4.34Å; D234-L236 PolarHBondContact O-N 2.86Å; L236-M238 PolarHBondContact O-N 2.99Å; L236-M238 VanDerWaalsContact O-N 3.08Å; L236-L239 HydrophobicContact CB-CD1 3.72Å; L236-L239 HydrophobicContact CB-CG 3.88Å; L236-L239 HydrophobicContact CD1-CD1 3.79Å; L236-L239 HydrophobicContact CG-CD1 4.37Å; L236-L239 WeakPolarHBondContact O-CB 3.45Å; L236-L239 PolarHBondContact O-N 3.13Å
237	R	93	Very high	90.6	Very high	80 Å²	80	49.8 Å²	49.8	30%	0.302	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-50.9	-36.2	-174.1	-173.3	-178	173.5	-162.9	-5.6	113.6	E192 N235 L239 E240	E192-R237 IonicContact OE1-CZ 3.01Å; E192-R237 VanDerWaalsContact OE1-CZ 3.23Å; E192-R237 IonicContact OE1-NH1 2.64Å; E192-R237 PolarHBondContact OE1-NH1 2.99Å; E192-R237 IonicContact OE1-NH2 2.89Å; E192-R237 PolarHBondContact OE1-NH2 2.67Å; E192-R237 IonicContact OE2-CZ 2.6Å; E192-R237 IonicContact OE2-NH1 2.87Å; E192-R237 IonicContact OE2-NH2 2.87Å; E192-R237 PolarHBondContact OE2-NH2 3.18Å; N235-R237 PolarHBondContact O-N 2.77Å; R237-L239 PolarHBondContact O-N 2.79Å; R237-E240 WeakPolarHBondContact O-CB 3.09Å; R237-E240 WeakPolarHBondContact O-CG 3.26Å; R237-E240 PolarHBondContact O-N 3.15Å; R237-E240 VanDerWaalsContact O-N 3.11Å
238	M	95.7	Very high	90.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-65.6	-19.6	-178.3	-61.4	-56.2	101.5	0	0	113.2	P191 V194 L195 L198 A215 Y218 L236 E240 A241	P191-M238 HydrophobicContact CB-CE 4.26Å; V194-M238 HydrophobicContact CB-SD 3.84Å; V194-M238 HydrophobicContact CG1-CG 4.31Å; V194-M238 HydrophobicContact CG1-SD 3.56Å; V194-M238 VanDerWaalsContact CG1-SD 3.56Å; L195-M238 HydrophobicContact CB-CE 4.08Å; L195-M238 HydrophobicContact CB-SD 4.23Å; L195-M238 HydrophobicContact CD1-CE 4.34Å; L198-M238 HydrophobicContact CD1-CB 4.09Å; A215-M238 HydrophobicContact CB-CB 3.77Å; Y218-M238 HydrophobicContact CD1-CG 3.49Å; Y218-M238 VanDerWaalsContact CD1-CG 3.49Å; Y218-M238 HydrophobicContact CD1-SD 4.21Å; Y218-M238 HydrophobicContact CE1-CG 4.25Å; Y218-M238 HydrophobicContact CE1-SD 4.47Å; Y218-M238 HydrophobicContact CG-CG 3.82Å; L236-M238 PolarHBondContact O-N 2.99Å; L236-M238 VanDerWaalsContact O-N 3.08Å; M238-E240 PolarHBondContact O-N 3.34Å; M238-A241 PolarHBondContact O-N 2.8Å
239	L	94.5	Very high	91.2	Very high	12 Å²	12	50 Å²	50	6%	0.063	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-69.4	-17.5	175.4	-65	-177.7	0	0	0	113.3	Y212 A215 L216 L236 R237 A241 V242 L264	Y212-L239 HydrophobicContact CD2-CD2 3.66Å; Y212-L239 HydrophobicContact CE2-CD2 3.73Å; A215-L239 HydrophobicContact CB-CD2 3.84Å; L216-L239 HydrophobicContact CD2-CD1 4.48Å; L216-L239 HydrophobicContact CD2-CD2 4.14Å; L216-L239 HydrophobicContact CG-CD2 4.46Å; L236-L239 HydrophobicContact CB-CD1 3.72Å; L236-L239 HydrophobicContact CB-CG 3.88Å; L236-L239 HydrophobicContact CD1-CD1 3.79Å; L236-L239 HydrophobicContact CG-CD1 4.37Å; L236-L239 WeakPolarHBondContact O-CB 3.45Å; L236-L239 PolarHBondContact O-N 3.13Å; R237-L239 PolarHBondContact O-N 2.79Å; L239-A241 PolarHBondContact O-N 3.13Å; L239-V242 HydrophobicContact CD2-CG2 4.17Å; L239-V242 WeakPolarHBondContact O-CB 3.28Å; L239-V242 PolarHBondContact O-N 3.15Å; L239-V242 VanDerWaalsContact O-N 3.13Å; L239-L264 HydrophobicContact CD1-CD1 4.02Å; L239-L264 HydrophobicContact CD1-CD2 3.78Å; L239-L264 HydrophobicContact CD1-CG 4.47Å
240	E	92.7	Very high	91.6	Very high	108 Å²	108	48.8 Å²	48.8	51%	0.505	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-61.8	-26.1	174.3	-66.1	175	-172.2	0	0	112.2	R237 M238 V242	R237-E240 WeakPolarHBondContact O-CB 3.09Å; R237-E240 WeakPolarHBondContact O-CG 3.26Å; R237-E240 PolarHBondContact O-N 3.15Å; R237-E240 VanDerWaalsContact O-N 3.11Å; M238-E240 PolarHBondContact O-N 3.34Å; E240-V242 VanDerWaalsContact C-N 3.35Å
241	A	94.9	Very high	91.9	Very high	4 Å²	4	50 Å²	50	3%	0.033	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-76.9	-19.4	177.7	0	0	0	0	0	113.3	L195 L198 M238 L239 R292	L195-A241 HydrophobicContact CD1-CB 4.03Å; L198-A241 HydrophobicContact CB-CB 3.59Å; M238-A241 PolarHBondContact O-N 2.8Å; L239-A241 PolarHBondContact O-N 3.13Å; A241-R292 PolarHBondContact O-NH2 2.85Å
242	V	95.7	Very high	92.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	24%	0.235	C	C	.	.			trans	-75.1	128.8	-171	-179.7	0	0	0	0	111	V211 A215 L239 E240 F244 M247	V211-V242 HydrophobicContact CG1-CG2 4.29Å; A215-V242 HydrophobicContact CB-CG2 4.1Å; L239-V242 HydrophobicContact CD2-CG2 4.17Å; L239-V242 WeakPolarHBondContact O-CB 3.28Å; L239-V242 PolarHBondContact O-N 3.15Å; L239-V242 VanDerWaalsContact O-N 3.13Å; E240-V242 VanDerWaalsContact C-N 3.35Å; V242-F244 HydrophobicContact CB-CD2 4.29Å; V242-F244 HydrophobicContact CB-CE1 4.37Å; V242-F244 HydrophobicContact CB-CE2 3.82Å; V242-F244 HydrophobicContact CB-CZ 3.85Å; V242-F244 HydrophobicContact CG1-CD1 4.01Å; V242-F244 HydrophobicContact CG1-CD2 4.22Å; V242-F244 HydrophobicContact CG1-CE1 3.81Å; V242-F244 HydrophobicContact CG1-CE2 4.04Å; V242-F244 HydrophobicContact CG1-CG 4.2Å; V242-F244 HydrophobicContact CG1-CZ 3.82Å; V242-F244 WeakPolarHBondContact O-CD2 3.33Å; V242-F244 PolarHBondContact O-N 3.39Å; V242-F244 VanDerWaalsContact O-N 3.12Å; V242-M247 HydrophobicContact CG1-SD 4.06Å
243	R	95.5	Very high	92.7	Very high	13 Å²	13	51.6 Å²	51.6	5%	0.049	25%	0.254	C	S	.	.			trans	-90	72.5	179.4	-59.5	176.4	-171.2	-177.6	3.4	110.1	S199 D201 E208 C245 L246 L288 Q290 P291 R292	S199-R243 PolarHBondContact O-NH2 3.42Å; S199-R243 VanDerWaalsContact O-NH2 3.17Å; D201-R243 IonicContact OD1-CZ 2.71Å; D201-R243 IonicContact OD1-NH1 3.45Å; D201-R243 PolarHBondContact OD1-NH1 3.45Å; D201-R243 IonicContact OD1-NH2 3Å; D201-R243 PolarHBondContact OD1-NH2 2.54Å; E208-R243 HydrophobicContact CG-CB 3.93Å; E208-R243 WeakPolarHBondContact OE2-CB 3.28Å; E208-R243 PolarHBondContact OE2-N 2.8Å; R243-C245 PolarHBondContact O-N 2.83Å; R243-L246 HydrophobicContact CB-CD1 4.07Å; R243-L246 HydrophobicContact CB-CG 4.32Å; R243-L246 PolarHBondContact O-N 3.2Å; R243-L288 WeakPolarHBondContact CB-O 3.18Å; R243-L288 HydrophobicContact CG-CD2 4.34Å; R243-Q290 WeakPolarHBondContact CD-O 3.32Å; R243-Q290 PolarHBondContact NH1-O 3.36Å; R243-P291 VanDerWaalsContact NH1-C 3.31Å; R243-P291 PolarHBondContact NH1-O 2.84Å; R243-R292 VanDerWaalsContact CZ-CG 3.49Å
244	F	95.8	Very high	93.4	Very high	13 Å²	13	53.6 Å²	53.6	6%	0.057	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-51.4	-31	-175.2	-67.6	-78.2	0	0	0	114.1	Y212 V242 L246 M247 L252 L255 L264 F267 V268 A271	Y212-F244 AromaticContact CD2-CE1 3.99Å; Y212-F244 HydrophobicContact CD2-CE1 3.99Å; Y212-F244 HydrophobicContact CD2-CZ 4.34Å; Y212-F244 HydrophobicContact CE2-CE1 4.28Å; V242-F244 HydrophobicContact CB-CD2 4.29Å; V242-F244 HydrophobicContact CB-CE1 4.37Å; V242-F244 HydrophobicContact CB-CE2 3.82Å; V242-F244 HydrophobicContact CB-CZ 3.85Å; V242-F244 HydrophobicContact CG1-CD1 4.01Å; V242-F244 HydrophobicContact CG1-CD2 4.22Å; V242-F244 HydrophobicContact CG1-CE1 3.81Å; V242-F244 HydrophobicContact CG1-CE2 4.04Å; V242-F244 HydrophobicContact CG1-CG 4.2Å; V242-F244 HydrophobicContact CG1-CZ 3.82Å; V242-F244 WeakPolarHBondContact O-CD2 3.33Å; V242-F244 PolarHBondContact O-N 3.39Å; V242-F244 VanDerWaalsContact O-N 3.12Å; F244-L246 PolarHBondContact O-N 2.84Å; F244-L246 VanDerWaalsContact O-N 3.1Å; F244-M247 HydrophobicContact CD1-SD 3.53Å; F244-M247 VanDerWaalsContact CD1-SD 3.53Å; F244-M247 HydrophobicContact CE1-SD 4.04Å; F244-M247 HydrophobicContact CG-SD 4.42Å; F244-M247 PolarHBondContact O-N 3.37Å; F244-M247 VanDerWaalsContact O-N 3.12Å; F244-L252 HydrophobicContact CB-CD2 4.13Å; F244-L252 HydrophobicContact CD1-CD2 4.06Å; F244-L252 WeakPolarHBondContact O-CD1 3.36Å; F244-L255 HydrophobicContact CE1-CD2 4.19Å; F244-L264 HydrophobicContact CE1-CD1 4.02Å; F244-L264 HydrophobicContact CE2-CD1 3.96Å; F244-L264 HydrophobicContact CZ-CD1 3.39Å; F244-F267 HydrophobicContact CD2-CB 4.17Å; F244-F267 HydrophobicContact CE2-CB 4.37Å; F244-V268 HydrophobicContact CD1-CG2 4.14Å; F244-V268 HydrophobicContact CE1-CG2 4.26Å; F244-A271 HydrophobicContact CB-CB 3.69Å
245	C	95	Very high	94	Very high	19 Å²	19	49.6 Å²	49.6	13%	0.128	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-64.4	-9.2	176.4	-62.5	0	0	0	0	115	R243 Y274 T289	R243-C245 PolarHBondContact O-N 2.83Å; C245-Y274 HydrophobicContact CB-CD1 3.86Å; C245-Y274 HydrophobicContact CB-CE1 4.18Å; C245-Y274 HydrophobicContact CB-CG 4.24Å; C245-T289 HydrophobicContact CB-CG2 3.94Å
246	L	93.9	Very high	94.7	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.141	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-113.2	4.2	178	-56.4	179.4	0	0	0	112.7	E208 R243 F244 T289 Q290	E208-L246 HydrophobicContact CG-CB 3.74Å; E208-L246 HydrophobicContact CG-CD1 4.49Å; R243-L246 HydrophobicContact CB-CD1 4.07Å; R243-L246 HydrophobicContact CB-CG 4.32Å; R243-L246 PolarHBondContact O-N 3.2Å; F244-L246 PolarHBondContact O-N 2.84Å; F244-L246 VanDerWaalsContact O-N 3.1Å; L246-T289 WeakPolarHBondContact CD2-O 3.33Å; L246-Q290 VanDerWaalsContact CD1-O 3.22Å; L246-Q290 WeakPolarHBondContact CD1-O 3.29Å
247	M	94.9	Very high	94.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.02	24%	0.241	C	C	.	.	S	Bend	trans	-80.5	157.8	170.4	-66.2	-179.8	72.5	0	0	110.5	E208 N209 Y212 V242 F244 K249 V251 L252 H275	E208-M247 HydrophobicContact CB-CG 3.59Å; N209-M247 HydrophobicContact CB-CE 4.46Å; Y212-M247 HydrophobicContact CD1-CE 4.47Å; Y212-M247 HydrophobicContact CG-CE 4.25Å; V242-M247 HydrophobicContact CG1-SD 4.06Å; F244-M247 HydrophobicContact CD1-SD 3.53Å; F244-M247 VanDerWaalsContact CD1-SD 3.53Å; F244-M247 HydrophobicContact CE1-SD 4.04Å; F244-M247 HydrophobicContact CG-SD 4.42Å; F244-M247 PolarHBondContact O-N 3.37Å; F244-M247 VanDerWaalsContact O-N 3.12Å; M247-K249 PolarHBondContact O-N 2.89Å; M247-V251 HydrophobicContact CE-CG1 3.82Å; M247-L252 HydrophobicContact CB-CD1 4.38Å; M247-L252 HydrophobicContact CB-CD2 4.01Å; M247-L252 HydrophobicContact CB-CG 4.02Å; M247-L252 HydrophobicContact SD-CD2 4.16Å; M247-H275 PolarHBondContact O-CE1 3.05Å; M247-H275 PolarHBondContact O-NE2 2.78Å
248	D	92.6	Very high	94.7	Very high	88 Å²	88	50.5 Å²	50.5	47%	0.471	25%	0.249	S	C	.	.			trans	-61.3	137	174.7	176.8	-95.1	0	0	0	111.6	Q250 V251 L252	D248-Q250 VanDerWaalsContact C-N 3.27Å; D248-Q250 PolarHBondContact O-N 2.85Å; D248-Q250 WeakPolarHBondContact OD1-CA 3.29Å; D248-Q250 WeakPolarHBondContact OD1-CB 3.4Å; D248-Q250 PolarHBondContact OD1-N 2.87Å; D248-V251 HydrophobicContact CB-CB 4.39Å; D248-V251 HydrophobicContact CB-CG2 3.99Å; D248-V251 WeakPolarHBondContact O-CB 3.14Å; D248-V251 PolarHBondContact O-N 3.33Å; D248-V251 VanDerWaalsContact O-N 3.1Å; D248-V251 PolarHBondContact OD1-N 2.96Å; D248-L252 PolarHBondContact O-N 2.97Å
249	K	94.3	Very high	94.5	Very high	76 Å²	76	50.7 Å²	50.7	33%	0.33	25%	0.25	S	C	.	.	H	α-helix	trans	-58.7	-37.6	-176.7	-175.2	178.7	-176.6	171	0	112.3	M247 L252 Q253 L272 H275	M247-K249 PolarHBondContact O-N 2.89Å; K249-L252 PolarHBondContact O-N 3.05Å; K249-Q253 VanDerWaalsContact O-CG 3.29Å; K249-Q253 WeakPolarHBondContact O-CG 3.18Å; K249-Q253 PolarHBondContact O-N 3.37Å; K249-L272 HydrophobicContact CG-CD2 4.33Å; K249-H275 HydrophobicContact CD-CB 4.08Å; K249-H275 HydrophobicContact CG-CB 4.28Å
250	Q	95.2	Very high	94.2	Very high	112 Å²	112	54.8 Å²	54.8	52%	0.523	27%	0.272	S	S	.	.	H	α-helix	trans	-70.1	-36.8	-179.7	-51.4	-179	15	0	0	111	D248 Q253 R254	D248-Q250 VanDerWaalsContact C-N 3.27Å; D248-Q250 PolarHBondContact O-N 2.85Å; D248-Q250 WeakPolarHBondContact OD1-CA 3.29Å; D248-Q250 WeakPolarHBondContact OD1-CB 3.4Å; D248-Q250 PolarHBondContact OD1-N 2.87Å; Q250-Q253 PolarHBondContact O-N 2.81Å; Q250-R254 WeakPolarHBondContact O-CG 3.28Å; Q250-R254 PolarHBondContact O-N 3.13Å; Q250-R254 VanDerWaalsContact O-N 3.09Å
251	V	94.8	Very high	94.1	Very high	46 Å²	46	56.4 Å²	56.4	28%	0.279	28%	0.279	S	S	.	.	H	α-helix	trans	-62.4	-47.3	174.5	178.2	0	0	0	0	110.1	M247 D248 Q253 R254 L255	M247-V251 HydrophobicContact CE-CG1 3.82Å; D248-V251 HydrophobicContact CB-CB 4.39Å; D248-V251 HydrophobicContact CB-CG2 3.99Å; D248-V251 WeakPolarHBondContact O-CB 3.14Å; D248-V251 PolarHBondContact O-N 3.33Å; D248-V251 VanDerWaalsContact O-N 3.1Å; D248-V251 PolarHBondContact OD1-N 2.96Å; V251-Q253 VanDerWaalsContact C-N 3.35Å; V251-Q253 PolarHBondContact O-N 2.91Å; V251-R254 PolarHBondContact O-N 3.26Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 PolarHBondContact O-N 2.95Å
252	L	96.7	Very high	93.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-41	176.3	-67.3	171.1	0	0	0	112.6	F244 M247 D248 K249 L255 F256 V268 A271 L272 H275	F244-L252 HydrophobicContact CB-CD2 4.13Å; F244-L252 HydrophobicContact CD1-CD2 4.06Å; F244-L252 WeakPolarHBondContact O-CD1 3.36Å; M247-L252 HydrophobicContact CB-CD1 4.38Å; M247-L252 HydrophobicContact CB-CD2 4.01Å; M247-L252 HydrophobicContact CB-CG 4.02Å; M247-L252 HydrophobicContact SD-CD2 4.16Å; D248-L252 PolarHBondContact O-N 2.97Å; K249-L252 PolarHBondContact O-N 3.05Å; L252-L255 PolarHBondContact O-N 2.77Å; L252-F256 WeakPolarHBondContact O-CB 3.42Å; L252-F256 PolarHBondContact O-N 3.45Å; L252-V268 HydrophobicContact CB-CG1 4.28Å; L252-V268 HydrophobicContact CD2-CG1 4.16Å; L252-V268 WeakPolarHBondContact O-CG1 3.19Å; L252-A271 HydrophobicContact CD1-CB 3.88Å; L252-A271 HydrophobicContact CD2-CB 4.29Å; L252-L272 HydrophobicContact CB-CD2 3.69Å; L252-L272 HydrophobicContact CB-CG 4.11Å; L252-L272 HydrophobicContact CD1-CD2 4.49Å; L252-H275 WeakPolarHBondContact CD1-NE2 3.32Å
253	Q	96.9	Very high	93.5	Very high	102 Å²	102	61.4 Å²	61.4	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-43.4	177.6	-76.1	174.2	-27.6	0	0	112.2	K249 Q250 V251 G257 L272	K249-Q253 VanDerWaalsContact O-CG 3.29Å; K249-Q253 WeakPolarHBondContact O-CG 3.18Å; K249-Q253 PolarHBondContact O-N 3.37Å; Q250-Q253 PolarHBondContact O-N 2.81Å; V251-Q253 VanDerWaalsContact C-N 3.35Å; V251-Q253 PolarHBondContact O-N 2.91Å; Q253-G257 PolarHBondContact O-N 3.34Å; Q253-G257 VanDerWaalsContact O-N 3.11Å; Q253-L272 HydrophobicContact CG-CD2 3.7Å
254	R	94.8	Very high	93.3	Very high	167 Å²	167	61.5 Å²	61.5	63%	0.63	31%	0.313	S	S	*	.	H	α-helix	trans	-63.8	-44.5	175.6	-67.4	176	-151.2	168.9	7.9	111	Q250 V251 G257 R258	Q250-R254 WeakPolarHBondContact O-CG 3.28Å; Q250-R254 PolarHBondContact O-N 3.13Å; Q250-R254 VanDerWaalsContact O-N 3.09Å; V251-R254 PolarHBondContact O-N 3.26Å; R254-G257 PolarHBondContact O-N 2.83Å; R254-R258 WeakPolarHBondContact O-CG 3.42Å; R254-R258 PolarHBondContact O-N 2.81Å
255	L	94	Very high	93.3	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-49	177.1	-180	58.2	0	0	0	111.1	Y212 L232 F244 V251 L252 G257 R258 L259 V268	Y212-L255 HydrophobicContact CE2-CD2 4.3Å; L232-L255 HydrophobicContact CD1-CD1 3.74Å; F244-L255 HydrophobicContact CE1-CD2 4.19Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 PolarHBondContact O-N 2.95Å; L252-L255 PolarHBondContact O-N 2.77Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 2.94Å; L255-R258 PolarHBondContact O-N 3.36Å; L255-L259 HydrophobicContact CD1-CD1 4.13Å; L255-L259 HydrophobicContact CD1-CD2 4.46Å; L255-L259 HydrophobicContact CD1-CG 4.24Å; L255-L259 HydrophobicContact CG-CD1 3.99Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 2.9Å; L255-V268 HydrophobicContact CD2-CG2 3.6Å; L255-V268 HydrophobicContact CG-CG2 4.05Å
256	F	95.6	Very high	93.1	Very high	72 Å²	72	65.9 Å²	65.9	32%	0.316	33%	0.334	S	S	.	.	H	α-helix	trans	-56.8	-41.4	178.2	-175.6	-96.7	0	0	0	112.8	L252 R258 L259 K265 V268 A269 L272	L252-F256 WeakPolarHBondContact O-CB 3.42Å; L252-F256 PolarHBondContact O-N 3.45Å; F256-R258 VanDerWaalsContact C-N 3.26Å; F256-R258 PolarHBondContact O-N 3.39Å; F256-L259 PolarHBondContact O-N 3.12Å; F256-K265 HydrophobicContact CD2-CG 3.81Å; F256-K265 HydrophobicContact CE2-CD 4.17Å; F256-K265 VanDerWaalsContact CE2-CE 3.49Å; F256-K265 HydrophobicContact CE2-CG 3.55Å; F256-K265 VanDerWaalsContact CZ-CE 3.47Å; F256-K265 HydrophobicContact CZ-CG 4.39Å; F256-V268 HydrophobicContact CB-CG1 3.8Å; F256-V268 HydrophobicContact CD2-CG1 4.3Å; F256-A269 HydrophobicContact CD2-CB 4.32Å; F256-A269 HydrophobicContact CE2-CB 3.82Å; F256-L272 HydrophobicContact CB-CD1 3.83Å; F256-L272 HydrophobicContact CD2-CD1 4.24Å; F256-L272 HydrophobicContact CG-CD1 3.95Å
257	G	93.4	Very high	93.1	Very high	66 Å²	66	69.6 Å²	69.6	68%	0.68	35%	0.349	S	S	*	.	H	α-helix	trans	-66.4	-25.4	178.5	0	0	0	0	0	114.1	Q253 R254 L255	Q253-G257 PolarHBondContact O-N 3.34Å; Q253-G257 VanDerWaalsContact O-N 3.11Å; R254-G257 PolarHBondContact O-N 2.83Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 2.94Å
258	R	91.3	Very high	93.1	Very high	120 Å²	120	69.4 Å²	69.4	45%	0.453	35%	0.348	S	S	.	.	H	α-helix	trans	-85.6	-22.7	178.2	-70.3	175.6	57.4	-159.1	-9.6	113.7	D228 R254 L255 F256	D228-R258 IonicContact OD1-CZ 3.23Å; D228-R258 IonicContact OD1-NH1 2.75Å; D228-R258 PolarHBondContact OD1-NH1 3.01Å; D228-R258 IonicContact OD1-NH2 2.84Å; D228-R258 PolarHBondContact OD1-NH2 3.06Å; D228-R258 IonicContact OD2-CZ 3.17Å; D228-R258 IonicContact OD2-NE 3.19Å; D228-R258 IonicContact OD2-NH1 3.64Å; D228-R258 PolarHBondContact OD2-NH1 3.04Å; D228-R258 IonicContact OD2-NH2 3.58Å; D228-R258 PolarHBondContact OD2-NH2 3.08Å; R254-R258 WeakPolarHBondContact O-CG 3.42Å; R254-R258 PolarHBondContact O-N 2.81Å; L255-R258 PolarHBondContact O-N 3.36Å; F256-R258 VanDerWaalsContact C-N 3.26Å; F256-R258 PolarHBondContact O-N 3.39Å
259	L	91	Very high	93.3	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.026	34%	0.337	C	S	.	.			trans	-82.8	134.9	-174.8	-66.5	169.8	0	0	0	112	L232 L255 F256 L264 K265 V268	L232-L259 HydrophobicContact CB-CD2 3.54Å; L232-L259 HydrophobicContact CD1-CD2 3.84Å; L232-L259 HydrophobicContact CG-CD2 4.36Å; L255-L259 HydrophobicContact CD1-CD1 4.13Å; L255-L259 HydrophobicContact CD1-CD2 4.46Å; L255-L259 HydrophobicContact CD1-CG 4.24Å; L255-L259 HydrophobicContact CG-CD1 3.99Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 2.9Å; F256-L259 PolarHBondContact O-N 3.12Å; L259-L264 HydrophobicContact CD1-CB 4.47Å; L259-L264 HydrophobicContact CD1-CD2 4.1Å; L259-L264 HydrophobicContact CD1-CG 3.85Å; L259-L264 HydrophobicContact CD2-CD2 3.84Å; L259-L264 HydrophobicContact CD2-CG 4.39Å; L259-K265 HydrophobicContact CB-CB 3.97Å; L259-K265 HydrophobicContact CB-CD 4.04Å; L259-K265 HydrophobicContact CB-CG 4.07Å; L259-K265 HydrophobicContact CD1-CB 4.16Å; L259-K265 WeakPolarHBondContact O-CD 3.36Å; L259-K265 WeakPolarHBondContact O-CE 3.41Å; L259-K265 PolarHBondContact O-NZ 2.9Å; L259-V268 HydrophobicContact CD1-CG2 4.15Å
260	N	88.9	Confident	93.3	Very high	98 Å²	98	64.5 Å²	64.5	52%	0.524	33%	0.333	S	S	.	.			trans	-78.3	174.3	160.6	-70	-37.1	0	0	0	110.1	Q233 C262 K265	Q233-N260 PolarHBondContact NE2-ND2 3.31Å; N260-C262 PolarHBondContact O-N 3.03Å; N260-C262 PolarHBondContact O-SG 2.67Å; N260-K265 VanDerWaalsContact O-CD 3.28Å; N260-K265 WeakPolarHBondContact O-CD 3.44Å
261	Q	89.9	Confident	93.4	Very high	141 Å²	141	59.2 Å²	59.2	66%	0.659	31%	0.309	S	S	*	.	S	Bend	trans	-62	111.2	179.4	-170.6	62	39.3	0	0	110.4	D266	Q261-D266 PolarHBondContact NE2-OD1 2.88Å
262	C	88.9	Confident	93.5	Very high	15 Å²	15	57.9 Å²	57.9	10%	0.101	30%	0.3	C	S	.	.	S	Bend	trans	-156.6	164.6	178.9	67	0	0	0	0	109.6	N260 L264 K265 D266	N260-C262 PolarHBondContact O-N 3.03Å; N260-C262 PolarHBondContact O-SG 2.67Å; C262-L264 VanDerWaalsContact C-N 3.25Å; C262-L264 PolarHBondContact O-N 3.08Å; C262-K265 VanDerWaalsContact O-CB 3.31Å; C262-K265 WeakPolarHBondContact O-CB 3.23Å; C262-K265 PolarHBondContact O-N 3.36Å; C262-D266 PolarHBondContact O-N 3.35Å
263	P	89.9	Confident	93.4	Very high	96 Å²	96	64.5 Å²	64.5	62%	0.623	33%	0.325	S	S	*	.	H	α-helix	trans	-55.5	-37.7	179.7	-27.4	35.9	0	0	0	113.9	K265 D266 F267	P263-K265 VanDerWaalsContact C-N 3.28Å; P263-K265 PolarHBondContact O-N 2.86Å; P263-D266 WeakPolarHBondContact O-CB 3.36Å; P263-D266 PolarHBondContact O-N 2.83Å; P263-D266 VanDerWaalsContact O-N 3.11Å; P263-F267 WeakPolarHBondContact O-CD2 3.4Å; P263-F267 PolarHBondContact O-N 2.94Å; P263-F267 VanDerWaalsContact O-N 3.1Å
264	L	92.3	Very high	93.4	Very high	15 Å²	15	60.2 Å²	60.2	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-39.2	175.7	179.1	61.6	0	0	0	112.1	L232 L239 F244 L259 C262 D266 F267 V268	L232-L264 HydrophobicContact CB-CD2 4.19Å; L239-L264 HydrophobicContact CD1-CD1 4.02Å; L239-L264 HydrophobicContact CD1-CD2 3.78Å; L239-L264 HydrophobicContact CD1-CG 4.47Å; F244-L264 HydrophobicContact CE1-CD1 4.02Å; F244-L264 HydrophobicContact CE2-CD1 3.96Å; F244-L264 HydrophobicContact CZ-CD1 3.39Å; L259-L264 HydrophobicContact CD1-CB 4.47Å; L259-L264 HydrophobicContact CD1-CD2 4.1Å; L259-L264 HydrophobicContact CD1-CG 3.85Å; L259-L264 HydrophobicContact CD2-CD2 3.84Å; L259-L264 HydrophobicContact CD2-CG 4.39Å; C262-L264 VanDerWaalsContact C-N 3.25Å; C262-L264 PolarHBondContact O-N 3.08Å; L264-D266 VanDerWaalsContact C-N 3.26Å; L264-D266 PolarHBondContact O-N 2.91Å; L264-F267 PolarHBondContact O-N 2.84Å; L264-V268 HydrophobicContact CD1-CG2 4.28Å; L264-V268 HydrophobicContact CG-CG2 4.47Å; L264-V268 VanDerWaalsContact O-CG2 3.32Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.4Å
265	K	94.1	Very high	93.3	Very high	39 Å²	39	53.8 Å²	53.8	17%	0.17	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-36.6	177	-170	169.2	-173.7	164.1	0	111.6	F256 L259 N260 C262 P263 V268 A269	F256-K265 HydrophobicContact CD2-CG 3.81Å; F256-K265 HydrophobicContact CE2-CD 4.17Å; F256-K265 VanDerWaalsContact CE2-CE 3.49Å; F256-K265 HydrophobicContact CE2-CG 3.55Å; F256-K265 VanDerWaalsContact CZ-CE 3.47Å; F256-K265 HydrophobicContact CZ-CG 4.39Å; L259-K265 HydrophobicContact CB-CB 3.97Å; L259-K265 HydrophobicContact CB-CD 4.04Å; L259-K265 HydrophobicContact CB-CG 4.07Å; L259-K265 HydrophobicContact CD1-CB 4.16Å; L259-K265 WeakPolarHBondContact O-CD 3.36Å; L259-K265 WeakPolarHBondContact O-CE 3.41Å; L259-K265 PolarHBondContact O-NZ 2.9Å; N260-K265 VanDerWaalsContact O-CD 3.28Å; N260-K265 WeakPolarHBondContact O-CD 3.44Å; C262-K265 VanDerWaalsContact O-CB 3.31Å; C262-K265 WeakPolarHBondContact O-CB 3.23Å; C262-K265 PolarHBondContact O-N 3.36Å; P263-K265 VanDerWaalsContact C-N 3.28Å; P263-K265 PolarHBondContact O-N 2.86Å; K265-V268 PolarHBondContact O-N 3.03Å; K265-A269 VanDerWaalsContact O-CB 3.28Å; K265-A269 WeakPolarHBondContact O-CB 3.48Å; K265-A269 PolarHBondContact O-N 2.93Å
266	D	92.6	Very high	93.3	Very high	86 Å²	86	59.8 Å²	59.8	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-69	-38.9	177.5	-60.2	-33.2	0	0	0	111.4	Q261 C262 P263 L264 A269 A270	Q261-D266 PolarHBondContact NE2-OD1 2.88Å; C262-D266 PolarHBondContact O-N 3.35Å; P263-D266 WeakPolarHBondContact O-CB 3.36Å; P263-D266 PolarHBondContact O-N 2.83Å; P263-D266 VanDerWaalsContact O-N 3.11Å; L264-D266 VanDerWaalsContact C-N 3.26Å; L264-D266 PolarHBondContact O-N 2.91Å; D266-A269 PolarHBondContact O-N 3.24Å; D266-A270 WeakPolarHBondContact O-CB 3.5Å; D266-A270 PolarHBondContact O-N 3.36Å
267	F	93.1	Very high	93.2	Very high	105 Å²	105	59.5 Å²	59.5	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-46.5	172.8	-63.8	-44	0	0	0	112.3	F244 P263 L264 A269 A270 A271	F244-F267 HydrophobicContact CD2-CB 4.17Å; F244-F267 HydrophobicContact CE2-CB 4.37Å; P263-F267 WeakPolarHBondContact O-CD2 3.4Å; P263-F267 PolarHBondContact O-N 2.94Å; P263-F267 VanDerWaalsContact O-N 3.1Å; L264-F267 PolarHBondContact O-N 2.84Å; F267-A269 VanDerWaalsContact C-N 3.32Å; F267-A269 PolarHBondContact O-N 3Å; F267-A270 WeakPolarHBondContact O-CB 3.33Å; F267-A270 PolarHBondContact O-N 2.7Å; F267-A271 PolarHBondContact O-N 2.88Å
268	V	95.9	Very high	93.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-38.9	177.1	177.5	0	0	0	0	110.8	F244 L252 L255 F256 L259 L264 K265 A270 A271 L272	F244-V268 HydrophobicContact CD1-CG2 4.14Å; F244-V268 HydrophobicContact CE1-CG2 4.26Å; L252-V268 HydrophobicContact CB-CG1 4.28Å; L252-V268 HydrophobicContact CD2-CG1 4.16Å; L252-V268 WeakPolarHBondContact O-CG1 3.19Å; L255-V268 HydrophobicContact CD2-CG2 3.6Å; L255-V268 HydrophobicContact CG-CG2 4.05Å; F256-V268 HydrophobicContact CB-CG1 3.8Å; F256-V268 HydrophobicContact CD2-CG1 4.3Å; L259-V268 HydrophobicContact CD1-CG2 4.15Å; L264-V268 HydrophobicContact CD1-CG2 4.28Å; L264-V268 HydrophobicContact CG-CG2 4.47Å; L264-V268 VanDerWaalsContact O-CG2 3.32Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.4Å; K265-V268 PolarHBondContact O-N 3.03Å; V268-A270 VanDerWaalsContact C-N 3.33Å; V268-A270 PolarHBondContact O-N 3.38Å; V268-A271 PolarHBondContact O-N 3.32Å; V268-L272 HydrophobicContact CG1-CD1 4.32Å; V268-L272 WeakPolarHBondContact O-CG 3.36Å; V268-L272 PolarHBondContact O-N 3.29Å
269	A	96.1	Very high	93.1	Very high	28 Å²	28	57.5 Å²	57.5	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-40.4	174.2	0	0	0	0	0	112.2	F256 K265 D266 F267 L272 R273	F256-A269 HydrophobicContact CD2-CB 4.32Å; F256-A269 HydrophobicContact CE2-CB 3.82Å; K265-A269 VanDerWaalsContact O-CB 3.28Å; K265-A269 WeakPolarHBondContact O-CB 3.48Å; K265-A269 PolarHBondContact O-N 2.93Å; D266-A269 PolarHBondContact O-N 3.24Å; F267-A269 VanDerWaalsContact C-N 3.32Å; F267-A269 PolarHBondContact O-N 3Å; A269-L272 PolarHBondContact O-N 2.76Å; A269-R273 WeakPolarHBondContact O-CG 3.44Å; A269-R273 PolarHBondContact O-N 2.96Å
270	A	94.7	Very high	93.2	Very high	32 Å²	32	61.4 Å²	61.4	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-41.5	175.6	0	0	0	0	0	112.1	D266 F267 V268 R273 Y274	D266-A270 WeakPolarHBondContact O-CB 3.5Å; D266-A270 PolarHBondContact O-N 3.36Å; F267-A270 WeakPolarHBondContact O-CB 3.33Å; F267-A270 PolarHBondContact O-N 2.7Å; V268-A270 VanDerWaalsContact C-N 3.33Å; V268-A270 PolarHBondContact O-N 3.38Å; A270-R273 PolarHBondContact O-N 3.26Å; A270-Y274 PolarHBondContact O-N 3.46Å
271	A	96	Very high	93.5	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-45.3	173.6	0	0	0	0	0	111.8	F244 L252 F267 V268 R273 Y274 H275	F244-A271 HydrophobicContact CB-CB 3.69Å; L252-A271 HydrophobicContact CD1-CB 3.88Å; L252-A271 HydrophobicContact CD2-CB 4.29Å; F267-A271 PolarHBondContact O-N 2.88Å; V268-A271 PolarHBondContact O-N 3.32Å; A271-R273 VanDerWaalsContact C-N 3.34Å; A271-R273 PolarHBondContact O-N 3.49Å; A271-Y274 WeakPolarHBondContact O-CA 3.45Å; A271-Y274 VanDerWaalsContact O-CB 3.3Å; A271-Y274 WeakPolarHBondContact O-CB 3.43Å; A271-Y274 PolarHBondContact O-N 3.3Å; A271-H275 PolarHBondContact O-CD2 3.31Å; A271-H275 PolarHBondContact O-N 3.09Å
272	L	97	Very high	93.7	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-43.7	176.5	-74	171.2	0	0	0	112.3	K249 L252 Q253 F256 V268 A269 Y274 H275 E276	K249-L272 HydrophobicContact CG-CD2 4.33Å; L252-L272 HydrophobicContact CB-CD2 3.69Å; L252-L272 HydrophobicContact CB-CG 4.11Å; L252-L272 HydrophobicContact CD1-CD2 4.49Å; Q253-L272 HydrophobicContact CG-CD2 3.7Å; F256-L272 HydrophobicContact CB-CD1 3.83Å; F256-L272 HydrophobicContact CD2-CD1 4.24Å; F256-L272 HydrophobicContact CG-CD1 3.95Å; V268-L272 HydrophobicContact CG1-CD1 4.32Å; V268-L272 WeakPolarHBondContact O-CG 3.36Å; V268-L272 PolarHBondContact O-N 3.29Å; A269-L272 PolarHBondContact O-N 2.76Å; L272-Y274 VanDerWaalsContact C-N 3.3Å; L272-Y274 PolarHBondContact O-N 2.8Å; L272-H275 PolarHBondContact O-N 2.97Å; L272-H275 VanDerWaalsContact O-N 3.16Å; L272-E276 WeakPolarHBondContact O-CG 3.34Å; L272-E276 PolarHBondContact O-N 2.82Å
273	R	95.9	Very high	94	Very high	140 Å²	140	52.5 Å²	52.5	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-59.4	-40.4	173.1	-77.7	170.6	21.1	-121.8	-13.2	112.3	A269 A270 A271 H275 E276 Q277	A269-R273 WeakPolarHBondContact O-CG 3.44Å; A269-R273 PolarHBondContact O-N 2.96Å; A270-R273 PolarHBondContact O-N 3.26Å; A271-R273 VanDerWaalsContact C-N 3.34Å; A271-R273 PolarHBondContact O-N 3.49Å; R273-H275 VanDerWaalsContact C-N 3.31Å; R273-H275 PolarHBondContact O-N 2.92Å; R273-E276 PolarHBondContact O-N 3.46Å; R273-E276 VanDerWaalsContact O-N 3.15Å; R273-Q277 WeakPolarHBondContact O-CG 3.45Å; R273-Q277 PolarHBondContact O-N 2.91Å; R273-Q277 VanDerWaalsContact O-N 3.09Å
274	Y	95.1	Very high	94.1	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-39.3	175.7	179.3	-92.1	0	0	0	111.8	C245 A270 A271 L272 E276 Q277 Q281 L284 Q285 T289 R374	C245-Y274 HydrophobicContact CB-CD1 3.86Å; C245-Y274 HydrophobicContact CB-CE1 4.18Å; C245-Y274 HydrophobicContact CB-CG 4.24Å; A270-Y274 PolarHBondContact O-N 3.46Å; A271-Y274 WeakPolarHBondContact O-CA 3.45Å; A271-Y274 VanDerWaalsContact O-CB 3.3Å; A271-Y274 WeakPolarHBondContact O-CB 3.43Å; A271-Y274 PolarHBondContact O-N 3.3Å; L272-Y274 VanDerWaalsContact C-N 3.3Å; L272-Y274 PolarHBondContact O-N 2.8Å; Y274-E276 VanDerWaalsContact C-N 3.35Å; Y274-Q277 PolarHBondContact O-N 3.2Å; Y274-Q281 HydrophobicContact CD1-CG 4.15Å; Y274-Q281 HydrophobicContact CD2-CG 4.26Å; Y274-Q281 HydrophobicContact CE1-CB 4.28Å; Y274-Q281 HydrophobicContact CE1-CG 3.69Å; Y274-Q281 HydrophobicContact CE2-CB 4Å; Y274-Q281 HydrophobicContact CE2-CG 3.83Å; Y274-Q281 HydrophobicContact CG-CG 4.41Å; Y274-Q281 PolarHBondContact O-NE2 3.45Å; Y274-Q281 WeakPolarHBondContact OH-CB 3.46Å; Y274-L284 HydrophobicContact CD2-CB 4.08Å; Y274-L284 HydrophobicContact CD2-CD1 4.33Å; Y274-L284 HydrophobicContact CE2-CB 3.91Å; Y274-Q285 PolarHBondContact OH-NE2 2.82Å; Y274-T289 HydrophobicContact CD2-CG2 4.23Å; Y274-T289 HydrophobicContact CE2-CG2 3.78Å; Y274-R374 PolarHBondContact OH-NH1 3.07Å
275	H	94.1	Very high	94.1	Very high	33 Å²	33	52.6 Å²	52.6	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-69.5	-27.9	173.3	-74.5	-81.9	0	0	0	113.9	M247 K249 L252 A271 L272 R273 Q277	M247-H275 PolarHBondContact O-CE1 3.05Å; M247-H275 PolarHBondContact O-NE2 2.78Å; K249-H275 HydrophobicContact CD-CB 4.08Å; K249-H275 HydrophobicContact CG-CB 4.28Å; L252-H275 WeakPolarHBondContact CD1-NE2 3.32Å; A271-H275 PolarHBondContact O-CD2 3.31Å; A271-H275 PolarHBondContact O-N 3.09Å; L272-H275 PolarHBondContact O-N 2.97Å; L272-H275 VanDerWaalsContact O-N 3.16Å; R273-H275 VanDerWaalsContact C-N 3.31Å; R273-H275 PolarHBondContact O-N 2.92Å; H275-Q277 VanDerWaalsContact C-N 3.34Å
276	E	93.9	Very high	94	Very high	135 Å²	135	52 Å²	52	63%	0.631	26%	0.258	S	S	*	.	H	α-helix	trans	-75.6	-25.4	175.8	-71	169.9	175.9	0	0	112.4	L272 R273 Y274 E278	L272-E276 WeakPolarHBondContact O-CG 3.34Å; L272-E276 PolarHBondContact O-N 2.82Å; R273-E276 PolarHBondContact O-N 3.46Å; R273-E276 VanDerWaalsContact O-N 3.15Å; Y274-E276 VanDerWaalsContact C-N 3.35Å; E276-E278 PolarHBondContact O-N 3.02Å
277	Q	92.8	Very high	93.7	Very high	65 Å²	65	53.4 Å²	53.4	30%	0.304	27%	0.271	S	S	.	.			trans	-99.7	52.1	-177.4	-65.2	178.1	-23.6	0	0	111.8	R273 Y274 H275 L279 W280 Q281 L284	R273-Q277 WeakPolarHBondContact O-CG 3.45Å; R273-Q277 PolarHBondContact O-N 2.91Å; R273-Q277 VanDerWaalsContact O-N 3.09Å; Y274-Q277 PolarHBondContact O-N 3.2Å; H275-Q277 VanDerWaalsContact C-N 3.34Å; Q277-L279 VanDerWaalsContact C-N 3.28Å; Q277-L279 PolarHBondContact O-N 3.02Å; Q277-L279 VanDerWaalsContact O-N 3.15Å; Q277-W280 HydrophobicContact CB-CB 4.2Å; Q277-W280 HydrophobicContact CB-CD2 4.48Å; Q277-W280 HydrophobicContact CB-CE3 4.13Å; Q277-W280 VanDerWaalsContact CD-CE3 3.42Å; Q277-W280 HydrophobicContact CG-CE3 3.94Å; Q277-W280 HydrophobicContact CG-CZ3 4.38Å; Q277-W280 VanDerWaalsContact NE2-CZ3 3.27Å; Q277-W280 PolarHBondContact O-N 3.42Å; Q277-Q281 PolarHBondContact O-N 3.01Å; Q277-L284 HydrophobicContact CB-CD1 4.45Å
278	E	91.4	Very high	93.4	Very high	87 Å²	87	52.6 Å²	52.6	41%	0.407	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-51.5	-44.3	-171.4	-157	-159.4	149.8	0	0	113	E276 W280 Q281 R370	E276-E278 PolarHBondContact O-N 3.02Å; E278-W280 VanDerWaalsContact C-N 3.32Å; E278-W280 PolarHBondContact O-N 3.38Å; E278-Q281 PolarHBondContact O-N 2.66Å; E278-R370 VanDerWaalsContact O-CZ 3.28Å; E278-R370 PolarHBondContact O-NH1 2.84Å; E278-R370 PolarHBondContact O-NH2 2.87Å; E278-R370 IonicContact OE1-NH2 2.93Å; E278-R370 PolarHBondContact OE1-NH2 3.12Å
279	L	90.6	Very high	93.3	Very high	58 Å²	58	53 Å²	53	30%	0.304	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67	-28.8	179.9	-68.8	172.8	0	0	0	113.6	Q277 P282 R370 I381 N423	Q277-L279 VanDerWaalsContact C-N 3.28Å; Q277-L279 PolarHBondContact O-N 3.02Å; Q277-L279 VanDerWaalsContact O-N 3.15Å; L279-P282 WeakPolarHBondContact O-CD 3.29Å; L279-R370 PolarHBondContact O-NH1 3.05Å; L279-I381 HydrophobicContact CD2-CG2 4.17Å; L279-N423 HydrophobicContact CD1-CB 4.12Å
280	W	93.7	Very high	93	Very high	87 Å²	87	54 Å²	54	33%	0.33	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-89.5	-10.5	-178.4	-62.2	-12.8	0	0	0	113.5	Q277 E278 P282 I283 L284 H421	Q277-W280 HydrophobicContact CB-CB 4.2Å; Q277-W280 HydrophobicContact CB-CD2 4.48Å; Q277-W280 HydrophobicContact CB-CE3 4.13Å; Q277-W280 VanDerWaalsContact CD-CE3 3.42Å; Q277-W280 HydrophobicContact CG-CE3 3.94Å; Q277-W280 HydrophobicContact CG-CZ3 4.38Å; Q277-W280 VanDerWaalsContact NE2-CZ3 3.27Å; Q277-W280 PolarHBondContact O-N 3.42Å; E278-W280 VanDerWaalsContact C-N 3.32Å; E278-W280 PolarHBondContact O-N 3.38Å; W280-P282 VanDerWaalsContact C-N 3.28Å; W280-P282 VanDerWaalsContact O-N 3.15Å; W280-I283 HydrophobicContact CB-CD1 4.28Å; W280-I283 HydrophobicContact CB-CG1 4.08Å; W280-I283 HydrophobicContact CG-CD1 4.35Å; W280-I283 WeakPolarHBondContact O-CG1 3.34Å; W280-I283 PolarHBondContact O-N 3.14Å; W280-L284 HydrophobicContact CB-CD1 3.8Å; W280-L284 HydrophobicContact CB-CG 4.14Å; W280-L284 WeakPolarHBondContact O-CG 3.22Å; W280-L284 PolarHBondContact O-N 2.91Å; W280-H421 PolarHBondContact NE1-O 3.49Å
281	Q	94.6	Very high	92.9	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.037	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-47.6	-44.6	178.1	-67	-176.4	1.7	0	0	113.5	Y274 Q277 E278 I283 L284 Q285 F349	Y274-Q281 HydrophobicContact CD1-CG 4.15Å; Y274-Q281 HydrophobicContact CD2-CG 4.26Å; Y274-Q281 HydrophobicContact CE1-CB 4.28Å; Y274-Q281 HydrophobicContact CE1-CG 3.69Å; Y274-Q281 HydrophobicContact CE2-CB 4Å; Y274-Q281 HydrophobicContact CE2-CG 3.83Å; Y274-Q281 HydrophobicContact CG-CG 4.41Å; Y274-Q281 PolarHBondContact O-NE2 3.45Å; Y274-Q281 WeakPolarHBondContact OH-CB 3.46Å; Q277-Q281 PolarHBondContact O-N 3.01Å; E278-Q281 PolarHBondContact O-N 2.66Å; Q281-I283 PolarHBondContact O-N 2.81Å; Q281-I283 VanDerWaalsContact O-N 3.15Å; Q281-L284 PolarHBondContact O-N 2.79Å; Q281-L284 VanDerWaalsContact O-N 3.07Å; Q281-Q285 PolarHBondContact O-NE2 2.93Å; Q281-F349 HydrophobicContact CB-CE1 4.48Å; Q281-F349 HydrophobicContact CB-CZ 3.96Å
282	P	94.6	Very high	92.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59.4	-28.7	177.7	-23.6	35.5	0	0	0	114.3	L279 W280 N347 F349 Y351	L279-P282 WeakPolarHBondContact O-CD 3.29Å; W280-P282 VanDerWaalsContact C-N 3.28Å; W280-P282 VanDerWaalsContact O-N 3.15Å; P282-N347 WeakPolarHBondContact O-CB 3.49Å; P282-N347 PolarHBondContact O-ND2 3.12Å; P282-F349 HydrophobicContact CB-CB 4.35Å; P282-F349 HydrophobicContact CB-CD2 3.65Å; P282-F349 HydrophobicContact CB-CE2 4.14Å; P282-F349 HydrophobicContact CB-CG 4.05Å; P282-F349 HydrophobicContact CG-CB 4.14Å; P282-F349 HydrophobicContact CG-CD1 4.05Å; P282-F349 HydrophobicContact CG-CD2 3.7Å; P282-F349 HydrophobicContact CG-CE1 4.36Å; P282-F349 HydrophobicContact CG-CE2 4.07Å; P282-F349 HydrophobicContact CG-CG 3.69Å; P282-F349 HydrophobicContact CG-CZ 4.37Å; P282-Y351 WeakPolarHBondContact CB-OH 3.32Å; P282-Y351 WeakPolarHBondContact CG-OH 3.3Å
283	I	94.8	Very high	92.4	Very high	58 Å²	58	53.1 Å²	53.1	30%	0.297	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-99	-4.7	179.3	60.1	169.3	0	0	0	113.2	W280 Q281 P420 H421	W280-I283 HydrophobicContact CB-CD1 4.28Å; W280-I283 HydrophobicContact CB-CG1 4.08Å; W280-I283 HydrophobicContact CG-CD1 4.35Å; W280-I283 WeakPolarHBondContact O-CG1 3.34Å; W280-I283 PolarHBondContact O-N 3.14Å; Q281-I283 PolarHBondContact O-N 2.81Å; Q281-I283 VanDerWaalsContact O-N 3.15Å; I283-P420 HydrophobicContact CG2-CB 3.86Å; I283-P420 HydrophobicContact CG2-CG 4.22Å; I283-H421 HydrophobicContact CD1-CB 3.81Å
284	L	93.8	Very high	92.1	Very high	69 Å²	69	50.7 Å²	50.7	36%	0.361	26%	0.262	S	S	.	.	S	Bend	trans	-102.8	28.3	176.8	-64.8	176	0	0	0	111.9	Y274 Q277 W280 Q281	Y274-L284 HydrophobicContact CD2-CB 4.08Å; Y274-L284 HydrophobicContact CD2-CD1 4.33Å; Y274-L284 HydrophobicContact CE2-CB 3.91Å; Q277-L284 HydrophobicContact CB-CD1 4.45Å; W280-L284 HydrophobicContact CB-CD1 3.8Å; W280-L284 HydrophobicContact CB-CG 4.14Å; W280-L284 WeakPolarHBondContact O-CG 3.22Å; W280-L284 PolarHBondContact O-N 2.91Å; Q281-L284 PolarHBondContact O-N 2.79Å; Q281-L284 VanDerWaalsContact O-N 3.07Å
285	Q	92.4	Very high	92	Very high	44 Å²	44	52.1 Å²	52.1	21%	0.206	27%	0.268	C	S	.	.			trans	-75.3	140.6	-178.7	-69.3	-49.9	-60.3	0	0	112.9	Y274 Q281 T289 N347 F349	Y274-Q285 PolarHBondContact OH-NE2 2.82Å; Q281-Q285 PolarHBondContact O-NE2 2.93Å; Q285-T289 WeakPolarHBondContact CA-OG1 3.22Å; Q285-T289 PolarHBondContact OE1-O 3.07Å; Q285-T289 PolarHBondContact OE1-OG1 3.04Å; Q285-N347 HydrophobicContact CB-CB 4.31Å; Q285-N347 HydrophobicContact CG-CB 3.67Å; Q285-F349 HydrophobicContact CG-CE2 4.46Å
286	G	90.6	Very high	92	Very high	28 Å²	28	53.9 Å²	53.9	29%	0.289	28%	0.279	S	S	.	.			trans	-160.4	-175.7	171.4	0	0	0	0	0	111.1	L288 T289	G286-L288 PolarHBondContact O-N 2.82Å; G286-L288 VanDerWaalsContact O-N 3.08Å; G286-T289 PolarHBondContact N-OG1 2.82Å; G286-T289 PolarHBondContact O-N 3.17Å; G286-T289 PolarHBondContact O-OG1 3.23Å
287	P	87.2	Confident	92.2	Very high	115 Å²	115	47.4 Å²	47.4	75%	0.747	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.7	-177.4	-27.4	35.6	0	0	0	114.2
288	L	87.1	Confident	92.4	Very high	87 Å²	87	44.3 Å²	44.3	46%	0.455	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.6	-178.1	-59.1	178.7	0	0	0	114.7	R243 G286	R243-L288 WeakPolarHBondContact CB-O 3.18Å; R243-L288 HydrophobicContact CG-CD2 4.34Å; G286-L288 PolarHBondContact O-N 2.82Å; G286-L288 VanDerWaalsContact O-N 3.08Å
289	T	92	Very high	92.7	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-3.7	-178.5	64.1	0	0	0	0	113.1	C245 L246 Y274 Q285 G286	C245-T289 HydrophobicContact CB-CG2 3.94Å; L246-T289 WeakPolarHBondContact CD2-O 3.33Å; Y274-T289 HydrophobicContact CD2-CG2 4.23Å; Y274-T289 HydrophobicContact CE2-CG2 3.78Å; Q285-T289 WeakPolarHBondContact CA-OG1 3.22Å; Q285-T289 PolarHBondContact OE1-O 3.07Å; Q285-T289 PolarHBondContact OE1-OG1 3.04Å; G286-T289 PolarHBondContact N-OG1 2.82Å; G286-T289 PolarHBondContact O-N 3.17Å; G286-T289 PolarHBondContact O-OG1 3.23Å
290	Q	91.3	Very high	92.9	Very high	49 Å²	49	37.5 Å²	37.5	23%	0.229	20%	0.201	C	C	.	.	S	Bend	trans	-89.7	137.2	177.3	-71	-64.2	-22.2	0	0	110.7	R243 L246	R243-Q290 WeakPolarHBondContact CD-O 3.32Å; R243-Q290 PolarHBondContact NH1-O 3.36Å; L246-Q290 VanDerWaalsContact CD1-O 3.22Å; L246-Q290 WeakPolarHBondContact CD1-O 3.29Å
291	P	92	Very high	92.9	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.026	19%	0.186	C	C	.	.			trans	-55.7	146.6	173.6	-27	37.3	0	0	0	112.7	R243 S293 R374	R243-P291 VanDerWaalsContact NH1-C 3.31Å; R243-P291 PolarHBondContact NH1-O 2.84Å; P291-S293 VanDerWaalsContact C-N 3.31Å; P291-S293 PolarHBondContact O-N 3.48Å; P291-R374 HydrophobicContact CG-CB 4.31Å; P291-R374 HydrophobicContact CG-CG 3.55Å
292	R	91.5	Very high	92.7	Very high	15 Å²	15	34 Å²	34	6%	0.057	19%	0.193	C	C	.	.	S	Bend	trans	-73.7	91	164.1	-67.3	-177.1	-159.8	-80	0.1	109	L198 S199 S200 D201 E208 A241 R243	L198-R292 PolarHBondContact O-NH1 2.73Å; L198-R292 PolarHBondContact O-NH2 3.17Å; S199-R292 VanDerWaalsContact C-NH1 3.34Å; S199-R292 PolarHBondContact O-NH1 3.08Å; S200-R292 PolarHBondContact O-NH1 3.13Å; S200-R292 VanDerWaalsContact O-NH1 3.14Å; D201-R292 CarbonylContact O-C 3.45Å; E208-R292 WeakPolarHBondContact OE1-CD 3.09Å; E208-R292 IonicContact OE1-CZ 2.72Å; E208-R292 IonicContact OE1-NE 3.65Å; E208-R292 PolarHBondContact OE1-NE 3.45Å; E208-R292 IonicContact OE1-NH2 2.65Å; E208-R292 IonicContact OE2-CZ 2.53Å; E208-R292 IonicContact OE2-NE 2.74Å; E208-R292 PolarHBondContact OE2-NE 2.99Å; E208-R292 IonicContact OE2-NH2 3.15Å; E208-R292 PolarHBondContact OE2-NH2 3.5Å; A241-R292 PolarHBondContact O-NH2 2.85Å; R243-R292 VanDerWaalsContact CZ-CG 3.49Å
293	S	91.4	Very high	92.5	Very high	13 Å²	13	34.7 Å²	34.7	9%	0.091	20%	0.2	C	C	.	.			trans	-160.2	148.9	178.4	-175.3	0	0	0	0	109.6	D201 P291 F295 L591 L592	D201-S293 CarbonylContact O-C 3.59Å; D201-S293 WeakPolarHBondContact O-CA 3.48Å; D201-S293 PolarHBondContact O-N 3.01Å; P291-S293 VanDerWaalsContact C-N 3.31Å; P291-S293 PolarHBondContact O-N 3.48Å; S293-F295 WeakPolarHBondContact OG-CB 3.1Å; S293-F295 PolarHBondContact OG-N 3.26Å; S293-L591 VanDerWaalsContact O-CD1 3.28Å; S293-L591 WeakPolarHBondContact O-CD1 2.93Å; S293-L592 WeakPolarHBondContact CB-O 3.4Å; S293-L592 PolarHBondContact OG-O 3.05Å
294	N	90.2	Very high	92.2	Very high	88 Å²	88	33.5 Å²	33.5	47%	0.471	19%	0.194	S	C	.	.			trans	-114.3	7.6	163.1	60.1	-0.3	0	0	0	111.7	N296	N294-N296 PolarHBondContact O-N 3.26Å; N294-N296 VanDerWaalsContact O-N 3.13Å
295	F	91.9	Very high	91.9	Very high	42 Å²	42	33.2 Å²	33.2	18%	0.184	19%	0.19	C	C	.	.			trans	-83.4	89	-178.9	-98	-103.4	0	0	0	111.1	S293 C297 H321 W324 L592 I597	S293-F295 WeakPolarHBondContact OG-CB 3.1Å; S293-F295 PolarHBondContact OG-N 3.26Å; F295-C297 PolarHBondContact O-N 3.37Å; F295-H321 HydrophobicContact CD1-CB 4.25Å; F295-H321 AromaticContact CD1-CD2 3.41Å; F295-H321 VanDerWaalsContact CD1-CD2 3.41Å; F295-H321 WeakPolarHBondContact CD1-CD2 3.48Å; F295-H321 AromaticContact CD1-CE1 3.87Å; F295-H321 AromaticContact CD1-CG 3.59Å; F295-H321 AromaticContact CD1-ND1 3.88Å; F295-H321 AromaticContact CD1-NE2 3.61Å; F295-H321 HydrophobicContact CE1-CB 4.26Å; F295-H321 AromaticContact CE1-CD2 3.79Å; F295-H321 AromaticContact CE1-CE1 3.53Å; F295-H321 AromaticContact CE1-CG 3.57Å; F295-H321 AromaticContact CE1-ND1 3.41Å; F295-H321 WeakPolarHBondContact CE1-ND1 3.41Å; F295-H321 AromaticContact CE1-NE2 3.78Å; F295-W324 HydrophobicContact CD1-CZ2 4.26Å; F295-W324 HydrophobicContact CE1-CZ2 4.23Å; F295-W324 AromaticContact CE1-NE1 3.71Å; F295-L592 PolarHBondContact O-N 2.96Å; F295-L592 VanDerWaalsContact O-N 3.14Å; F295-I597 HydrophobicContact CB-CD1 3.38Å; F295-I597 HydrophobicContact CD1-CD1 3.88Å; F295-I597 HydrophobicContact CD2-CD1 4.36Å; F295-I597 HydrophobicContact CG-CD1 3.63Å
296	N	95.2	Very high	91.5	Very high	69 Å²	69	33.7 Å²	33.7	37%	0.369	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	109.2	168.7	-72.1	-68.3	0	0	0	109.5	N294 H321 L541 V589	N294-N296 PolarHBondContact O-N 3.26Å; N294-N296 VanDerWaalsContact O-N 3.13Å; N296-H321 PolarHBondContact O-CD2 3.11Å; N296-L541 HydrophobicContact CB-CD1 3.68Å; N296-V589 HydrophobicContact CB-CG1 3.9Å
297	C	96.8	Very high	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.4	-178	-64	0	0	0	0	110.7	F295 L299 V319 Y320 V589 V590 L592	F295-C297 PolarHBondContact O-N 3.37Å; C297-L299 HydrophobicContact CB-CD2 4.39Å; C297-V319 HydrophobicContact CB-CG1 4.06Å; C297-Y320 CarbonylContact C-O 3.54Å; C297-Y320 WeakPolarHBondContact CA-O 3.36Å; C297-V589 WeakPolarHBondContact O-CA 3.27Å; C297-V590 PolarHBondContact N-O 3.04Å; C297-V590 PolarHBondContact O-N 2.97Å; C297-L592 HydrophobicContact CB-CD1 3.73Å; C297-L592 HydrophobicContact CB-CG 3.97Å
298	I	98.1	Very high	89.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.1	167.2	-57.1	178.5	0	0	0	107.8	V319 Y320 W327 A539 Y546 L548 C588 V589	I298-V319 CarbonylContact O-C 3.45Å; I298-V319 WeakPolarHBondContact O-CA 3.32Å; I298-Y320 HydrophobicContact CD1-CD1 4.05Å; I298-Y320 HydrophobicContact CG1-CD1 4.47Å; I298-Y320 PolarHBondContact N-O 3.29Å; I298-Y320 PolarHBondContact O-N 2.83Å; I298-W327 HydrophobicContact CB-CH2 4.32Å; I298-W327 HydrophobicContact CG2-CH2 3.84Å; I298-W327 HydrophobicContact CG2-CZ3 4.32Å; I298-A539 HydrophobicContact CD1-CB 4.43Å; I298-A539 HydrophobicContact CG1-CB 4.31Å; I298-A539 HydrophobicContact CG2-CB 3.65Å; I298-Y546 HydrophobicContact CD1-CD1 3.45Å; I298-Y546 VanDerWaalsContact CD1-CD1 3.45Å; I298-Y546 HydrophobicContact CD1-CD2 3.59Å; I298-Y546 HydrophobicContact CD1-CE1 3.76Å; I298-Y546 HydrophobicContact CD1-CE2 3.89Å; I298-Y546 HydrophobicContact CD1-CG 3.37Å; I298-L548 HydrophobicContact CG2-CD1 3.87Å; I298-C588 CarbonylContact C-O 3.59Å; I298-C588 WeakPolarHBondContact CA-O 3.36Å; I298-V589 HydrophobicContact CG1-CG2 4.02Å
299	L	97.2	Very high	87.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.4	172.9	-55.9	-167.7	0	0	0	110.3	C297 F301 F317 Q318 V319 Y371 A587 C588 V590 L592	C297-L299 HydrophobicContact CB-CD2 4.39Å; L299-F301 HydrophobicContact CB-CD2 4.3Å; L299-F301 HydrophobicContact CB-CE2 3.56Å; L299-F301 HydrophobicContact CB-CZ 3.81Å; L299-F301 HydrophobicContact CD1-CE1 4.42Å; L299-F301 HydrophobicContact CD1-CE2 3.88Å; L299-F301 HydrophobicContact CD1-CZ 3.44Å; L299-F301 VanDerWaalsContact CD1-CZ 3.44Å; L299-F301 HydrophobicContact CG-CE2 4.38Å; L299-F301 HydrophobicContact CG-CZ 4.27Å; L299-F317 HydrophobicContact CD1-CE2 4.15Å; L299-F317 HydrophobicContact CD2-CD2 4.49Å; L299-F317 HydrophobicContact CD2-CE2 4.07Å; L299-Q318 CarbonylContact C-O 3.56Å; L299-Q318 WeakPolarHBondContact CA-O 3.36Å; L299-V319 HydrophobicContact CD2-CB 4.05Å; L299-V319 HydrophobicContact CD2-CG1 3.62Å; L299-V319 HydrophobicContact CD2-CG2 3.8Å; L299-Y371 HydrophobicContact CD1-CD1 4.49Å; L299-Y371 HydrophobicContact CD1-CE1 3.97Å; L299-A587 WeakPolarHBondContact O-CA 3.41Å; L299-A587 WeakPolarHBondContact O-CB 3.12Å; L299-C588 PolarHBondContact N-O 2.57Å; L299-C588 PolarHBondContact O-N 3.21Å; L299-V590 HydrophobicContact CD1-CG2 3.25Å; L299-V590 HydrophobicContact CD2-CG2 4.44Å; L299-V590 HydrophobicContact CG-CG2 3.62Å; L299-L592 HydrophobicContact CD1-CD2 4.35Å; L299-L592 HydrophobicContact CD2-CD1 4.24Å
300	G	95.2	Very high	85.4	Confident	1 Å²	1	35 Å²	35	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.2	173.4	0	0	0	0	0	110.8	F317 Q318 A586	G300-F317 WeakPolarHBondContact O-CB 3.34Å; G300-Q318 PolarHBondContact N-O 3.22Å; G300-Q318 PolarHBondContact O-N 3.25Å; G300-A586 CarbonylContact C-O 3.59Å; G300-A586 WeakPolarHBondContact CA-O 3.45Å
301	F	93.8	Very high	83.4	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.2	-178.5	-59.2	-76	0	0	0	113	L299 F317 I343 V350 L352 Y371 W378 L585 A586	L299-F301 HydrophobicContact CB-CD2 4.3Å; L299-F301 HydrophobicContact CB-CE2 3.56Å; L299-F301 HydrophobicContact CB-CZ 3.81Å; L299-F301 HydrophobicContact CD1-CE1 4.42Å; L299-F301 HydrophobicContact CD1-CE2 3.88Å; L299-F301 HydrophobicContact CD1-CZ 3.44Å; L299-F301 VanDerWaalsContact CD1-CZ 3.44Å; L299-F301 HydrophobicContact CG-CE2 4.38Å; L299-F301 HydrophobicContact CG-CZ 4.27Å; F301-F317 HydrophobicContact CD1-CB 3.5Å; F301-F317 VanDerWaalsContact CD1-CB 3.5Å; F301-F317 HydrophobicContact CD1-CD1 4.33Å; F301-F317 AromaticContact CD1-CD2 3.96Å; F301-F317 HydrophobicContact CD1-CD2 3.96Å; F301-F317 AromaticContact CD1-CG 3.68Å; F301-F317 HydrophobicContact CD1-CG 3.68Å; F301-F317 HydrophobicContact CE1-CB 3.87Å; F301-F317 AromaticContact CE1-CD1 3.99Å; F301-F317 HydrophobicContact CE1-CD1 3.99Å; F301-F317 AromaticContact CE1-CD2 3.42Å; F301-F317 HydrophobicContact CE1-CD2 3.42Å; F301-F317 VanDerWaalsContact CE1-CD2 3.42Å; F301-F317 HydrophobicContact CE1-CE1 4.39Å; F301-F317 AromaticContact CE1-CE2 3.87Å; F301-F317 HydrophobicContact CE1-CE2 3.87Å; F301-F317 AromaticContact CE1-CG 3.48Å; F301-F317 HydrophobicContact CE1-CG 3.48Å; F301-F317 VanDerWaalsContact CE1-CG 3.48Å; F301-F317 HydrophobicContact CE1-CZ 4.33Å; F301-F317 HydrophobicContact CG-CB 4.41Å; F301-F317 HydrophobicContact CZ-CD2 4.09Å; F301-F317 HydrophobicContact CZ-CE2 4.29Å; F301-I343 HydrophobicContact CD2-CD1 3.96Å; F301-I343 HydrophobicContact CE2-CD1 4.45Å; F301-V350 HydrophobicContact CD2-CG1 4.38Å; F301-V350 HydrophobicContact CE2-CB 4.4Å; F301-V350 HydrophobicContact CE2-CG1 3.87Å; F301-V350 HydrophobicContact CE2-CG2 4.25Å; F301-L352 HydrophobicContact CB-CD1 3.81Å; F301-L352 HydrophobicContact CB-CD2 4.38Å; F301-L352 HydrophobicContact CG-CD1 4.11Å; F301-Y371 HydrophobicContact CZ-CD1 4.08Å; F301-Y371 HydrophobicContact CZ-CE1 4.29Å; F301-W378 HydrophobicContact CD1-CH2 4.22Å; F301-W378 AromaticContact CD1-CZ2 3.63Å; F301-W378 HydrophobicContact CD1-CZ2 3.63Å; F301-W378 HydrophobicContact CE1-CH2 4.16Å; F301-W378 AromaticContact CE1-CZ2 3.47Å; F301-W378 HydrophobicContact CE1-CZ2 3.47Å; F301-W378 VanDerWaalsContact CE1-CZ2 3.47Å; F301-W378 HydrophobicContact CG-CZ2 4.34Å; F301-W378 HydrophobicContact CZ-CH2 4.37Å; F301-W378 HydrophobicContact CZ-CZ2 4.04Å; F301-L585 WeakPolarHBondContact O-CD1 3.45Å; F301-A586 PolarHBondContact N-O 2.78Å; F301-A586 PolarHBondContact O-N 2.88Å
302	G	90.5	Very high	81.4	Confident	17 Å²	17	44.1 Å²	44.1	18%	0.175	26%	0.264	C	S	.	.			trans	66.3	-142.2	173.8	0	0	0	0	0	113.3	M338	G302-M338 VanDerWaalsContact CA-O 3.27Å; G302-M338 WeakPolarHBondContact CA-O 3.36Å
303	G	89.6	Confident	79.7	Confident	15 Å²	15	45.7 Å²	45.7	16%	0.155	28%	0.277	C	S	.	.			trans	92.4	171.8	-176.1	0	0	0	0	0	114	M338 S583 G584	G303-M338 PolarHBondContact N-O 3.17Å; G303-S583 CarbonylContact C-O 3.56Å; G303-S583 WeakPolarHBondContact CA-O 3.48Å; G303-G584 WeakPolarHBondContact CA-O 3.12Å
304	M	88.5	Confident	78.3	Confident	34 Å²	34	51.4 Å²	51.4	17%	0.167	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118	177.3	-69.2	-179.3	-82.8	0	0	110	R558 I582 S583	M304-R558 WeakPolarHBondContact O-CD 3.41Å; M304-R558 PolarHBondContact O-NE 2.94Å; M304-I582 WeakPolarHBondContact O-CA 3.34Å; M304-S583 PolarHBondContact N-O 2.75Å; M304-S583 PolarHBondContact O-N 2.95Å; M304-S583 VanDerWaalsContact O-N 3.07Å
305	F	86.9	Confident	77.6	Confident	63 Å²	63	51 Å²	51	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	152.8	178.9	-66.6	-90.7	0	0	0	111.7	L310 D580 R581 I582	F305-L310 HydrophobicContact CD1-CD1 3.51Å; F305-L310 HydrophobicContact CD2-CD1 4.33Å; F305-L310 HydrophobicContact CE1-CD1 3.55Å; F305-L310 HydrophobicContact CE2-CD1 4.4Å; F305-L310 HydrophobicContact CG-CD1 3.9Å; F305-L310 HydrophobicContact CZ-CD1 4.01Å; F305-D580 WeakPolarHBondContact CB-OD2 3.25Å; F305-D580 HydrophobicContact CD1-CB 4.04Å; F305-R581 CarbonylContact C-O 3.57Å; F305-R581 WeakPolarHBondContact CA-O 3.21Å; F305-I582 HydrophobicContact CD1-CB 4.18Å; F305-I582 HydrophobicContact CD1-CD1 4.21Å; F305-I582 HydrophobicContact CD1-CG1 4.15Å; F305-I582 HydrophobicContact CE1-CB 4.12Å; F305-I582 HydrophobicContact CE1-CD1 3.47Å; F305-I582 VanDerWaalsContact CE1-CD1 3.47Å; F305-I582 HydrophobicContact CE1-CG1 3.91Å; F305-I582 HydrophobicContact CE2-CD1 3.85Å; F305-I582 HydrophobicContact CE2-CG1 4.31Å; F305-I582 HydrophobicContact CG-CG1 4.49Å; F305-I582 HydrophobicContact CZ-CD1 3.26Å; F305-I582 HydrophobicContact CZ-CG1 4Å
306	S	83.9	Confident	77.2	Confident	53 Å²	53	51.2 Å²	51.2	37%	0.371	30%	0.301	S	S	.	.	S	Bend	trans	-84.9	-35.7	176.1	-74.9	0	0	0	0	112.8	R581	S306-R581 PolarHBondContact N-O 2.83Å
307	S	71.4	Confident	77	Confident	48 Å²	48	48.2 Å²	48.2	34%	0.336	28%	0.284	S	S	.	.	S	Bend	trans	-76.2	132.6	170.2	82.5	0	0	0	0	109	S309 D580	S307-S309 PolarHBondContact O-N 3.38Å; S307-S309 VanDerWaalsContact O-N 3.08Å; S307-D580 WeakPolarHBondContact CB-OD2 3.33Å; S307-D580 PolarHBondContact N-OD1 3.1Å; S307-D580 PolarHBondContact N-OD2 2.95Å; S307-D580 PolarHBondContact OG-OD2 3.35Å
308	G	57.7	Low	76.8	Confident	58 Å²	58	49.1 Å²	49.1	60%	0.598	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	18.5	168.4	0	0	0	0	0	112.9	T311	G308-T311 VanDerWaalsContact O-CG2 3.27Å; G308-T311 WeakPolarHBondContact O-CG2 3.39Å; G308-T311 PolarHBondContact O-OG1 3.36Å
309	S	48.3	Very low	76.7	Confident	101 Å²	101	49.1 Å²	49.1	71%	0.706	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-33.1	-170.9	-170.5	0	0	0	0	112.8	S307 T311	S307-S309 PolarHBondContact O-N 3.38Å; S307-S309 VanDerWaalsContact O-N 3.08Å; S309-T311 PolarHBondContact O-N 3.11Å; S309-T311 VanDerWaalsContact O-N 3.1Å
310	L	52.5	Low	76.6	Confident	60 Å²	60	50 Å²	50	31%	0.314	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-77.1	11.1	174.6	-68.1	166.2	0	0	0	112.9	F305 E312 L316	F305-L310 HydrophobicContact CD1-CD1 3.51Å; F305-L310 HydrophobicContact CD2-CD1 4.33Å; F305-L310 HydrophobicContact CE1-CD1 3.55Å; F305-L310 HydrophobicContact CE2-CD1 4.4Å; F305-L310 HydrophobicContact CG-CD1 3.9Å; F305-L310 HydrophobicContact CZ-CD1 4.01Å; L310-E312 VanDerWaalsContact C-N 3.32Å; L310-E312 PolarHBondContact O-N 2.96Å; L310-L316 HydrophobicContact CD2-CD1 3.95Å
311	T	49.2	Very low	76.6	Confident	63 Å²	63	51.3 Å²	51.3	39%	0.387	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-79.3	-6.4	-167.5	55.5	0	0	0	0	115.4	G308 S309	G308-T311 VanDerWaalsContact O-CG2 3.27Å; G308-T311 WeakPolarHBondContact O-CG2 3.39Å; G308-T311 PolarHBondContact O-OG1 3.36Å; S309-T311 PolarHBondContact O-N 3.11Å; S309-T311 VanDerWaalsContact O-N 3.1Å
312	E	50.4	Low	76.6	Confident	182 Å²	182	53.7 Å²	53.7	85%	0.85	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-104.8	-15.5	-173.6	-67.4	-166.4	166.4	0	0	115.7	L310	L310-E312 VanDerWaalsContact C-N 3.32Å; L310-E312 PolarHBondContact O-N 2.96Å
313	S	54.3	Low	76.7	Confident	49 Å²	49	56.7 Å²	56.7	34%	0.343	33%	0.332	S	S	.	.			trans	-113.2	104.1	179.4	-174.7	0	0	0	0	111.2	E315	S313-E315 PolarHBondContact O-N 3.11Å
314	E	62.5	Low	76.8	Confident	133 Å²	133	57.7 Å²	57.7	62%	0.621	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	16.5	173.7	-62.1	-167.7	145	0	0	113.4	A335	E314-A335 CarbonylContact O-C 3.51Å; E314-A335 WeakPolarHBondContact O-CB 3.33Å
315	E	75.1	Confident	76.9	Confident	78 Å²	78	58.3 Å²	58.3	36%	0.364	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-10.7	-167.6	-59.6	-173.9	154	0	0	113	S313 T331 A332	S313-E315 PolarHBondContact O-N 3.11Å; E315-T331 HydrophobicContact CB-CG2 4.28Å; E315-T331 CarbonylContact O-C 3.55Å; E315-T331 WeakPolarHBondContact O-CA 3.22Å; E315-A332 WeakPolarHBondContact CB-O 3.38Å; E315-A332 PolarHBondContact O-N 2.89Å
316	L	85.3	Confident	77.2	Confident	48 Å²	48	58.8 Å²	58.8	25%	0.251	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	138.3	-170.9	-63	168.6	0	0	0	113.6	L310 T329 L330 T331 W603	L310-L316 HydrophobicContact CD2-CD1 3.95Å; L316-T329 HydrophobicContact CB-CG2 3.78Å; L316-T329 HydrophobicContact CD1-CG2 4.5Å; L316-T329 HydrophobicContact CD2-CG2 3.47Å; L316-T329 VanDerWaalsContact CD2-CG2 3.47Å; L316-T329 HydrophobicContact CG-CG2 4.09Å; L316-L330 CarbonylContact C-O 3.58Å; L316-L330 VanDerWaalsContact CA-O 3.27Å; L316-L330 WeakPolarHBondContact CA-O 3.4Å; L316-T331 HydrophobicContact CD2-CG2 3.24Å; L316-T331 HydrophobicContact CG-CG2 4.13Å; L316-W603 HydrophobicContact CD2-CZ2 4.37Å
317	F	90.5	Very high	77.6	Confident	5 Å²	5	57 Å²	57	2%	0.022	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156	169.1	65.9	-84.3	0	0	0	111.7	L299 G300 F301 V319 T329 L330 A332 Y371	L299-F317 HydrophobicContact CD1-CE2 4.15Å; L299-F317 HydrophobicContact CD2-CD2 4.49Å; L299-F317 HydrophobicContact CD2-CE2 4.07Å; G300-F317 WeakPolarHBondContact O-CB 3.34Å; F301-F317 HydrophobicContact CD1-CB 3.5Å; F301-F317 VanDerWaalsContact CD1-CB 3.5Å; F301-F317 HydrophobicContact CD1-CD1 4.33Å; F301-F317 AromaticContact CD1-CD2 3.96Å; F301-F317 HydrophobicContact CD1-CD2 3.96Å; F301-F317 AromaticContact CD1-CG 3.68Å; F301-F317 HydrophobicContact CD1-CG 3.68Å; F301-F317 HydrophobicContact CE1-CB 3.87Å; F301-F317 AromaticContact CE1-CD1 3.99Å; F301-F317 HydrophobicContact CE1-CD1 3.99Å; F301-F317 AromaticContact CE1-CD2 3.42Å; F301-F317 HydrophobicContact CE1-CD2 3.42Å; F301-F317 VanDerWaalsContact CE1-CD2 3.42Å; F301-F317 HydrophobicContact CE1-CE1 4.39Å; F301-F317 AromaticContact CE1-CE2 3.87Å; F301-F317 HydrophobicContact CE1-CE2 3.87Å; F301-F317 AromaticContact CE1-CG 3.48Å; F301-F317 HydrophobicContact CE1-CG 3.48Å; F301-F317 VanDerWaalsContact CE1-CG 3.48Å; F301-F317 HydrophobicContact CE1-CZ 4.33Å; F301-F317 HydrophobicContact CG-CB 4.41Å; F301-F317 HydrophobicContact CZ-CD2 4.09Å; F301-F317 HydrophobicContact CZ-CE2 4.29Å; F317-V319 HydrophobicContact CD2-CG2 3.84Å; F317-V319 HydrophobicContact CE2-CG2 3.56Å; F317-V319 HydrophobicContact CZ-CG2 4.45Å; F317-T329 WeakPolarHBondContact O-CA 3.45Å; F317-T329 WeakPolarHBondContact O-CG2 3.12Å; F317-L330 HydrophobicContact CD1-CB 4.21Å; F317-L330 WeakPolarHBondContact CD1-O 3.35Å; F317-L330 HydrophobicContact CD2-CB 4.44Å; F317-L330 HydrophobicContact CE1-CB 3.59Å; F317-L330 HydrophobicContact CE2-CB 3.87Å; F317-L330 HydrophobicContact CE2-CD1 4.06Å; F317-L330 HydrophobicContact CZ-CB 3.4Å; F317-L330 VanDerWaalsContact CZ-CB 3.4Å; F317-L330 HydrophobicContact CZ-CD1 3.75Å; F317-L330 HydrophobicContact CZ-CG 4.21Å; F317-L330 PolarHBondContact N-O 3.31Å; F317-L330 PolarHBondContact O-N 2.95Å; F317-A332 HydrophobicContact CE1-CB 3.89Å; F317-Y371 HydrophobicContact CZ-CE2 4.41Å; F317-Y371 AromaticContact CZ-CZ 3.93Å; F317-Y371 WeakPolarHBondContact CZ-OH 3.41Å
318	Q	92.7	Very high	78.6	Confident	20 Å²	20	55.9 Å²	55.9	9%	0.093	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	141.6	-176.2	-63.8	-63.4	-63	0	0	111	L299 G300 W327 R328 T329 F578	L299-Q318 CarbonylContact C-O 3.56Å; L299-Q318 WeakPolarHBondContact CA-O 3.36Å; G300-Q318 PolarHBondContact N-O 3.22Å; G300-Q318 PolarHBondContact O-N 3.25Å; Q318-W327 HydrophobicContact CB-CE3 3.85Å; Q318-W327 HydrophobicContact CB-CZ3 4.19Å; Q318-R328 CarbonylContact C-O 3.47Å; Q318-R328 WeakPolarHBondContact CA-O 3.45Å; Q318-T329 PolarHBondContact NE2-OG1 2.98Å; Q318-F578 HydrophobicContact CB-CE1 4.13Å; Q318-F578 HydrophobicContact CG-CD1 4.34Å; Q318-F578 HydrophobicContact CG-CE1 4.05Å
319	V	95.3	Very high	80	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.4	-179.1	-170.7	0	0	0	0	109.3	C297 I298 L299 F317 W324 R328 L330 L592	C297-V319 HydrophobicContact CB-CG1 4.06Å; I298-V319 CarbonylContact O-C 3.45Å; I298-V319 WeakPolarHBondContact O-CA 3.32Å; L299-V319 HydrophobicContact CD2-CB 4.05Å; L299-V319 HydrophobicContact CD2-CG1 3.62Å; L299-V319 HydrophobicContact CD2-CG2 3.8Å; F317-V319 HydrophobicContact CD2-CG2 3.84Å; F317-V319 HydrophobicContact CE2-CG2 3.56Å; F317-V319 HydrophobicContact CZ-CG2 4.45Å; V319-W324 HydrophobicContact CB-CZ3 4.39Å; V319-W324 HydrophobicContact CG1-CH2 3.95Å; V319-W324 HydrophobicContact CG1-CZ3 3.82Å; V319-R328 PolarHBondContact N-O 3.37Å; V319-R328 PolarHBondContact O-N 3.49Å; V319-L330 HydrophobicContact CG2-CB 3.96Å; V319-L330 HydrophobicContact CG2-CD1 3.69Å; V319-L330 HydrophobicContact CG2-CG 3.7Å; V319-L592 HydrophobicContact CG1-CD1 3.79Å
320	Y	95.9	Very high	82	Confident	17 Å²	17	49.6 Å²	49.6	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.9	177.6	175	-98.3	0	0	0	111.6	C297 I298 P322 E326 W327 Y546 T576	C297-Y320 CarbonylContact C-O 3.54Å; C297-Y320 WeakPolarHBondContact CA-O 3.36Å; I298-Y320 HydrophobicContact CD1-CD1 4.05Å; I298-Y320 HydrophobicContact CG1-CD1 4.47Å; I298-Y320 PolarHBondContact N-O 3.29Å; I298-Y320 PolarHBondContact O-N 2.83Å; Y320-P322 HydrophobicContact CE1-CB 4.48Å; Y320-P322 HydrophobicContact CE1-CG 4.19Å; Y320-E326 WeakPolarHBondContact CD2-O 3.47Å; Y320-W327 HydrophobicContact CD2-CD2 4.25Å; Y320-W327 HydrophobicContact CD2-CG 4.37Å; Y320-W327 HydrophobicContact CG-CD2 4.23Å; Y320-W327 HydrophobicContact CG-CE3 4.39Å; Y320-W327 HydrophobicContact CG-CH2 4.31Å; Y320-W327 HydrophobicContact CG-CZ2 4.15Å; Y320-W327 HydrophobicContact CG-CZ3 4.44Å; Y320-Y546 HydrophobicContact CE1-CE1 4.04Å; Y320-T576 HydrophobicContact CE2-CG2 4.42Å
321	H	95.4	Very high	83.6	Confident	30 Å²	30	49 Å²	49	14%	0.139	27%	0.267	C	S	.	.			trans	-123.4	137.9	164.2	-173.4	-96.4	0	0	0	108.4	F295 N296 S323 W324	F295-H321 HydrophobicContact CD1-CB 4.25Å; F295-H321 AromaticContact CD1-CD2 3.41Å; F295-H321 VanDerWaalsContact CD1-CD2 3.41Å; F295-H321 WeakPolarHBondContact CD1-CD2 3.48Å; F295-H321 AromaticContact CD1-CE1 3.87Å; F295-H321 AromaticContact CD1-CG 3.59Å; F295-H321 AromaticContact CD1-ND1 3.88Å; F295-H321 AromaticContact CD1-NE2 3.61Å; F295-H321 HydrophobicContact CE1-CB 4.26Å; F295-H321 AromaticContact CE1-CD2 3.79Å; F295-H321 AromaticContact CE1-CE1 3.53Å; F295-H321 AromaticContact CE1-CG 3.57Å; F295-H321 AromaticContact CE1-ND1 3.41Å; F295-H321 WeakPolarHBondContact CE1-ND1 3.41Å; F295-H321 AromaticContact CE1-NE2 3.78Å; N296-H321 PolarHBondContact O-CD2 3.11Å; H321-S323 PolarHBondContact CE1-OG 3.28Å; H321-S323 WeakPolarHBondContact ND1-CB 3.48Å; H321-S323 PolarHBondContact ND1-N 3.04Å; H321-S323 PolarHBondContact ND1-OG 3.07Å; H321-S323 PolarHBondContact O-N 2.94Å; H321-W324 HydrophobicContact CB-CD2 3.57Å; H321-W324 VanDerWaalsContact CB-CE2 3.49Å; H321-W324 HydrophobicContact CB-CE3 3.86Å; H321-W324 HydrophobicContact CB-CG 4.07Å; H321-W324 HydrophobicContact CB-CH2 4.01Å; H321-W324 HydrophobicContact CB-CZ2 3.71Å; H321-W324 HydrophobicContact CB-CZ3 4.09Å; H321-W324 PolarHBondContact O-N 3.14Å
322	P	92.6	Very high	85.4	Confident	53 Å²	53	46.1 Å²	46.1	34%	0.344	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-53	-32.4	-178.2	-29.2	35.8	0	0	0	114.6	Y320 W324 L541	Y320-P322 HydrophobicContact CE1-CB 4.48Å; Y320-P322 HydrophobicContact CE1-CG 4.19Å; P322-W324 VanDerWaalsContact C-N 3.26Å; P322-W324 PolarHBondContact O-N 2.99Å; P322-L541 HydrophobicContact CG-CD2 3.58Å
323	S	92.4	Very high	86.9	Confident	81 Å²	81	40.1 Å²	40.1	57%	0.566	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-73.9	-10.8	-179.5	80.4	0	0	0	0	114.8	H321	H321-S323 PolarHBondContact CE1-OG 3.28Å; H321-S323 WeakPolarHBondContact ND1-CB 3.48Å; H321-S323 PolarHBondContact ND1-N 3.04Å; H321-S323 PolarHBondContact ND1-OG 3.07Å; H321-S323 PolarHBondContact O-N 2.94Å
324	W	92.4	Very high	88.1	Confident	36 Å²	36	43.5 Å²	43.5	14%	0.136	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-87.9	-27.6	-178.4	-59.3	-19.1	0	0	0	112.6	F295 V319 H321 P322 E326 R328 I597	F295-W324 HydrophobicContact CD1-CZ2 4.26Å; F295-W324 HydrophobicContact CE1-CZ2 4.23Å; F295-W324 AromaticContact CE1-NE1 3.71Å; V319-W324 HydrophobicContact CB-CZ3 4.39Å; V319-W324 HydrophobicContact CG1-CH2 3.95Å; V319-W324 HydrophobicContact CG1-CZ3 3.82Å; H321-W324 HydrophobicContact CB-CD2 3.57Å; H321-W324 VanDerWaalsContact CB-CE2 3.49Å; H321-W324 HydrophobicContact CB-CE3 3.86Å; H321-W324 HydrophobicContact CB-CG 4.07Å; H321-W324 HydrophobicContact CB-CH2 4.01Å; H321-W324 HydrophobicContact CB-CZ2 3.71Å; H321-W324 HydrophobicContact CB-CZ3 4.09Å; H321-W324 PolarHBondContact O-N 3.14Å; P322-W324 VanDerWaalsContact C-N 3.26Å; P322-W324 PolarHBondContact O-N 2.99Å; W324-E326 HydrophobicContact CB-CG 4.44Å; W324-E326 PolarHBondContact O-N 2.76Å; W324-E326 VanDerWaalsContact O-N 3.11Å; W324-R328 HydrophobicContact CE3-CG 3.79Å; W324-R328 HydrophobicContact CZ3-CB 4.42Å; W324-R328 HydrophobicContact CZ3-CG 4.02Å; W324-I597 HydrophobicContact CZ2-CG2 3.82Å
325	G	89.9	Confident	89	Confident	47 Å²	47	37.8 Å²	37.8	49%	0.485	22%	0.217	S	C	.	.	S	Bend	trans	70.5	-5.3	-175.4	0	0	0	0	0	115	T576	G325-T576 WeakPolarHBondContact O-CG2 3.23Å; G325-T576 PolarHBondContact O-OG1 2.78Å
326	E	92.9	Very high	89.3	Confident	72 Å²	72	34.7 Å²	34.7	34%	0.336	20%	0.204	S	C	.	.	S	Bend	trans	-136.3	151.6	-177.5	69.9	-165.5	157.1	0	0	111.7	Y320 W324 R328	Y320-E326 WeakPolarHBondContact CD2-O 3.47Å; W324-E326 HydrophobicContact CB-CG 4.44Å; W324-E326 PolarHBondContact O-N 2.76Å; W324-E326 VanDerWaalsContact O-N 3.11Å; E326-R328 HydrophobicContact CG-CG 4.49Å; E326-R328 IonicContact OE1-CZ 2.7Å; E326-R328 IonicContact OE1-NE 2.96Å; E326-R328 IonicContact OE1-NH2 3.87Å; E326-R328 PolarHBondContact OE1-NH2 2.7Å
327	W	93.6	Very high	89	Confident	16 Å²	16	38.8 Å²	38.8	6%	0.061	22%	0.216	C	C	.	.			trans	-82.3	135.3	168.6	-74	89.6	0	0	0	109.5	I298 Q318 Y320 L548 V562 T576 F578	I298-W327 HydrophobicContact CB-CH2 4.32Å; I298-W327 HydrophobicContact CG2-CH2 3.84Å; I298-W327 HydrophobicContact CG2-CZ3 4.32Å; Q318-W327 HydrophobicContact CB-CE3 3.85Å; Q318-W327 HydrophobicContact CB-CZ3 4.19Å; Y320-W327 HydrophobicContact CD2-CD2 4.25Å; Y320-W327 HydrophobicContact CD2-CG 4.37Å; Y320-W327 HydrophobicContact CG-CD2 4.23Å; Y320-W327 HydrophobicContact CG-CE3 4.39Å; Y320-W327 HydrophobicContact CG-CH2 4.31Å; Y320-W327 HydrophobicContact CG-CZ2 4.15Å; Y320-W327 HydrophobicContact CG-CZ3 4.44Å; W327-L548 HydrophobicContact CH2-CD1 3.74Å; W327-L548 HydrophobicContact CH2-CD2 3.87Å; W327-L548 HydrophobicContact CH2-CG 4.44Å; W327-L548 HydrophobicContact CZ2-CD1 4.37Å; W327-L548 HydrophobicContact CZ2-CD2 3.68Å; W327-V562 HydrophobicContact CZ2-CG2 4.1Å; W327-T576 PolarHBondContact NE1-O 2.74Å; W327-F578 HydrophobicContact CB-CD1 4.48Å; W327-F578 AromaticContact CD2-CD1 3.79Å; W327-F578 HydrophobicContact CD2-CD1 3.79Å; W327-F578 AromaticContact CD2-CE1 3.38Å; W327-F578 HydrophobicContact CD2-CE1 3.38Å; W327-F578 HydrophobicContact CD2-CZ 4.22Å; W327-F578 AromaticContact CE2-CE1 3.53Å; W327-F578 AromaticContact CE2-CZ 3.94Å; W327-F578 HydrophobicContact CE3-CD1 4.27Å; W327-F578 AromaticContact CE3-CE1 3.51Å; W327-F578 HydrophobicContact CE3-CE1 3.51Å; W327-F578 HydrophobicContact CE3-CZ 4.31Å; W327-F578 AromaticContact CG-CD1 3.86Å; W327-F578 HydrophobicContact CG-CD1 3.86Å; W327-F578 AromaticContact CG-CE1 3.98Å; W327-F578 HydrophobicContact CG-CE1 3.98Å; W327-F578 AromaticContact CH2-CE1 3.97Å; W327-F578 HydrophobicContact CH2-CE1 3.97Å; W327-F578 AromaticContact CH2-CZ 3.94Å; W327-F578 HydrophobicContact CH2-CZ 3.94Å; W327-F578 AromaticContact CZ2-CE1 3.85Å; W327-F578 HydrophobicContact CZ2-CE1 3.85Å; W327-F578 AromaticContact CZ2-CZ 3.82Å; W327-F578 HydrophobicContact CZ2-CZ 3.82Å; W327-F578 AromaticContact CZ3-CE1 3.8Å; W327-F578 HydrophobicContact CZ3-CE1 3.8Å; W327-F578 HydrophobicContact CZ3-CZ 4.17Å
328	R	91.6	Very high	88.8	Confident	25 Å²	25	38.8 Å²	38.8	9%	0.094	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	161.5	175.6	-52.3	-153.3	159.6	133	3.3	110.5	Q318 V319 W324 E326 A600 E604	Q318-R328 CarbonylContact C-O 3.47Å; Q318-R328 WeakPolarHBondContact CA-O 3.45Å; V319-R328 PolarHBondContact N-O 3.37Å; V319-R328 PolarHBondContact O-N 3.49Å; W324-R328 HydrophobicContact CE3-CG 3.79Å; W324-R328 HydrophobicContact CZ3-CB 4.42Å; W324-R328 HydrophobicContact CZ3-CG 4.02Å; E326-R328 HydrophobicContact CG-CG 4.49Å; E326-R328 IonicContact OE1-CZ 2.7Å; E326-R328 IonicContact OE1-NE 2.96Å; E326-R328 IonicContact OE1-NH2 3.87Å; E326-R328 PolarHBondContact OE1-NH2 2.7Å; R328-A600 HydrophobicContact CB-CB 4.3Å; R328-E604 WeakPolarHBondContact CD-OE1 3.41Å; R328-E604 WeakPolarHBondContact CG-OE1 3.39Å; R328-E604 IonicContact CZ-OE2 3.36Å; R328-E604 IonicContact NE-OE1 3.57Å; R328-E604 PolarHBondContact NE-OE1 3.37Å; R328-E604 IonicContact NE-OE2 3.63Å; R328-E604 PolarHBondContact NE-OE2 2.85Å; R328-E604 IonicContact NH2-OE2 3.65Å
329	T	87.9	Confident	88.6	Confident	22 Å²	22	37.8 Å²	37.8	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.6	174.1	-51.6	0	0	0	0	110.2	L316 F317 Q318	L316-T329 HydrophobicContact CB-CG2 3.78Å; L316-T329 HydrophobicContact CD1-CG2 4.5Å; L316-T329 HydrophobicContact CD2-CG2 3.47Å; L316-T329 VanDerWaalsContact CD2-CG2 3.47Å; L316-T329 HydrophobicContact CG-CG2 4.09Å; F317-T329 WeakPolarHBondContact O-CA 3.45Å; F317-T329 WeakPolarHBondContact O-CG2 3.12Å; Q318-T329 PolarHBondContact NE2-OG1 2.98Å
330	L	89	Confident	88.5	Confident	5 Å²	5	39 Å²	39	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.5	171.1	-80.6	-175.4	0	0	0	110.3	L316 F317 V319 V596 Q599 A600	L316-L330 CarbonylContact C-O 3.58Å; L316-L330 VanDerWaalsContact CA-O 3.27Å; L316-L330 WeakPolarHBondContact CA-O 3.4Å; F317-L330 HydrophobicContact CD1-CB 4.21Å; F317-L330 WeakPolarHBondContact CD1-O 3.35Å; F317-L330 HydrophobicContact CD2-CB 4.44Å; F317-L330 HydrophobicContact CE1-CB 3.59Å; F317-L330 HydrophobicContact CE2-CB 3.87Å; F317-L330 HydrophobicContact CE2-CD1 4.06Å; F317-L330 HydrophobicContact CZ-CB 3.4Å; F317-L330 VanDerWaalsContact CZ-CB 3.4Å; F317-L330 HydrophobicContact CZ-CD1 3.75Å; F317-L330 HydrophobicContact CZ-CG 4.21Å; F317-L330 PolarHBondContact N-O 3.31Å; F317-L330 PolarHBondContact O-N 2.95Å; V319-L330 HydrophobicContact CG2-CB 3.96Å; V319-L330 HydrophobicContact CG2-CD1 3.69Å; V319-L330 HydrophobicContact CG2-CG 3.7Å; L330-V596 HydrophobicContact CD1-CG1 3.62Å; L330-Q599 HydrophobicContact CD2-CB 4Å; L330-A600 HydrophobicContact CD1-CB 4.47Å; L330-A600 VanDerWaalsContact CD2-CA 3.46Å; L330-A600 HydrophobicContact CD2-CB 3.6Å; L330-A600 HydrophobicContact CG-CB 3.97Å
331	T	87.7	Confident	88.4	Confident	47 Å²	47	38.8 Å²	38.8	29%	0.288	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.5	166.4	52.9	0	0	0	0	110.7	E315 L316 N376	E315-T331 HydrophobicContact CB-CG2 4.28Å; E315-T331 CarbonylContact O-C 3.55Å; E315-T331 WeakPolarHBondContact O-CA 3.22Å; L316-T331 HydrophobicContact CD2-CG2 3.24Å; L316-T331 HydrophobicContact CG-CG2 4.13Å; T331-N376 PolarHBondContact O-ND2 2.98Å
332	A	86.4	Confident	88.5	Confident	2 Å²	2	37.5 Å²	37.5	2%	0.017	21%	0.212	C	C	.	.			trans	-135.9	132	166.3	0	0	0	0	0	109.4	E315 F317 Q334 A335 Y371 N376	E315-A332 WeakPolarHBondContact CB-O 3.38Å; E315-A332 PolarHBondContact O-N 2.89Å; F317-A332 HydrophobicContact CE1-CB 3.89Å; A332-Q334 PolarHBondContact O-N 2.88Å; A332-A335 WeakPolarHBondContact O-CB 3.14Å; A332-A335 PolarHBondContact O-N 2.94Å; A332-Y371 HydrophobicContact CB-CE2 4.11Å; A332-N376 WeakPolarHBondContact CB-OD1 3.14Å
333	A	81.3	Confident	88.7	Confident	56 Å²	56	36.7 Å²	36.7	46%	0.463	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136.9	176.7	0	0	0	0	0	110.2	A335	A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 3.17Å
334	Q	80.1	Confident	89	Confident	120 Å²	120	33.3 Å²	33.3	56%	0.561	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	22.9	179.6	-46.2	175.2	23.9	0	0	115.1	A332 W369 W378	A332-Q334 PolarHBondContact O-N 2.88Å; Q334-W369 HydrophobicContact CB-CZ3 4.33Å; Q334-W378 HydrophobicContact CB-CB 4.41Å
335	A	80.6	Confident	89.2	Confident	13 Å²	13	34 Å²	34	11%	0.107	19%	0.19	C	C	.	.			trans	-60.9	138.8	175.4	0	0	0	0	0	111.2	E314 A332 A333 R337	E314-A335 CarbonylContact O-C 3.51Å; E314-A335 WeakPolarHBondContact O-CB 3.33Å; A332-A335 WeakPolarHBondContact O-CB 3.14Å; A332-A335 PolarHBondContact O-N 2.94Å; A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 3.17Å; A335-R337 PolarHBondContact O-N 3.12Å
336	P	81.3	Confident	89.6	Confident	13 Å²	13	32 Å²	32	8%	0.084	17%	0.168	C	C	.	.			trans	-79.4	122.9	180	27.9	-32.7	0	0	0	112.4	M338 L352 W369	P336-M338 HydrophobicContact CB-CE 3.51Å; P336-M338 HydrophobicContact CG-CE 4.5Å; P336-M338 PolarHBondContact O-N 2.82Å; P336-L352 HydrophobicContact CG-CB 4.43Å; P336-L352 HydrophobicContact CG-CD1 3.54Å; P336-W369 HydrophobicContact CB-CD2 4.31Å; P336-W369 HydrophobicContact CB-CG 4.1Å; P336-W369 HydrophobicContact CG-CB 4.27Å; P336-W369 HydrophobicContact CG-CD2 4.41Å; P336-W369 HydrophobicContact CG-CG 3.91Å
337	R	78.5	Confident	89.7	Confident	134 Å²	134	32.3 Å²	32.3	51%	0.506	17%	0.172	S	C	.	.			trans	-85.4	85.5	171.3	-170.5	-177.1	177.7	-161.8	1.7	111.8	A335	A335-R337 PolarHBondContact O-N 3.12Å
338	M	86.9	Confident	89.9	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.025	18%	0.175	C	C	.	.			trans	-141.2	157.2	178.2	-62.2	-176.9	-82.7	0	0	110.9	G302 G303 P336 Q341 D356 E365	G302-M338 VanDerWaalsContact CA-O 3.27Å; G302-M338 WeakPolarHBondContact CA-O 3.36Å; G303-M338 PolarHBondContact N-O 3.17Å; P336-M338 HydrophobicContact CB-CE 3.51Å; P336-M338 HydrophobicContact CG-CE 4.5Å; P336-M338 PolarHBondContact O-N 2.82Å; M338-Q341 VanDerWaalsContact CB-CD 3.44Å; M338-Q341 HydrophobicContact CB-CG 3.55Å; M338-Q341 PolarHBondContact O-NE2 2.95Å; M338-D356 CarbonylContact C-O 3.53Å; M338-D356 VanDerWaalsContact CA-O 3.25Å; M338-D356 WeakPolarHBondContact CA-O 3.43Å; M338-D356 WeakPolarHBondContact CB-O 3.47Å; M338-E365 HydrophobicContact SD-CB 4.11Å; M338-E365 HydrophobicContact SD-CG 4.07Å
339	S	89.9	Confident	90.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-115.4	166.9	170.3	76.8	0	0	0	0	110.7	Q341 D356 N358 G584	S339-Q341 PolarHBondContact O-N 3.28Å; S339-Q341 VanDerWaalsContact O-N 3.08Å; S339-D356 PolarHBondContact N-O 2.75Å; S339-D356 PolarHBondContact O-N 2.82Å; S339-N358 WeakPolarHBondContact CB-ND2 3.42Å; S339-N358 PolarHBondContact OG-ND2 2.83Å; S339-G584 WeakPolarHBondContact CA-O 3.22Å
340	N	92.2	Very high	90.6	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.134	16%	0.164	C	C	.	.	S	Bend	trans	51.1	36.1	179.3	-58	-12.1	0	0	0	111.8	G355 D390 G584	N340-G355 WeakPolarHBondContact O-CA 3.24Å; N340-D390 WeakPolarHBondContact CB-OD1 3.39Å; N340-D390 PolarHBondContact ND2-OD1 2.77Å; N340-G584 PolarHBondContact N-O 2.96Å; N340-G584 WeakPolarHBondContact OD1-CA 3.48Å
341	Q	93.9	Very high	91.1	Very high	13 Å²	13	30.3 Å²	30.3	6%	0.061	16%	0.163	C	C	.	.			trans	-75.5	144.6	176.1	-61.4	-178.9	76.2	0	0	109	M338 S339 L352 A586	M338-Q341 VanDerWaalsContact CB-CD 3.44Å; M338-Q341 HydrophobicContact CB-CG 3.55Å; M338-Q341 PolarHBondContact O-NE2 2.95Å; S339-Q341 PolarHBondContact O-N 3.28Å; S339-Q341 VanDerWaalsContact O-N 3.08Å; Q341-L352 HydrophobicContact CB-CD2 4.37Å; Q341-A586 HydrophobicContact CB-CB 4.3Å
342	G	96.6	Very high	91.5	Very high	3 Å²	3	28 Å²	28	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134.2	164.5	0	0	0	0	0	109.5	L352 I353 V393	G342-L352 WeakPolarHBondContact O-CA 3.35Å; G342-I353 PolarHBondContact N-O 3.34Å; G342-I353 PolarHBondContact O-N 3.38Å; G342-V393 VanDerWaalsContact CA-CG2 3.48Å
343	I	97.9	Very high	92.1	Very high	36 Å²	36	28 Å²	28	19%	0.185	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.3	179	-170.3	165.5	0	0	0	111.3	F301 V350 Y351 L352 A586 C588	F301-I343 HydrophobicContact CD2-CD1 3.96Å; F301-I343 HydrophobicContact CE2-CD1 4.45Å; I343-V350 HydrophobicContact CD1-CG1 3.76Å; I343-V350 HydrophobicContact CG1-CG1 3.79Å; I343-Y351 VanDerWaalsContact CA-O 3.32Å; I343-Y351 WeakPolarHBondContact CA-O 3.45Å; I343-L352 HydrophobicContact CB-CD2 3.96Å; I343-L352 HydrophobicContact CD1-CD2 3.85Å; I343-L352 HydrophobicContact CG1-CD2 3.84Å; I343-A586 HydrophobicContact CB-CB 4.01Å; I343-A586 HydrophobicContact CD1-CB 4Å; I343-A586 HydrophobicContact CG2-CB 4.21Å; I343-C588 HydrophobicContact CD1-CB 3.79Å; I343-C588 HydrophobicContact CG1-CB 4.3Å
344	A	97.5	Very high	92.8	Very high	9 Å²	9	25.3 Å²	25.3	7%	0.074	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.2	175.3	0	0	0	0	0	110.3	V350 Y351 V393 V395 I400	A344-V350 CarbonylContact O-C 3.54Å; A344-V350 WeakPolarHBondContact O-CA 3.31Å; A344-Y351 PolarHBondContact N-O 2.92Å; A344-Y351 PolarHBondContact O-N 2.8Å; A344-V393 HydrophobicContact CB-CG1 3.64Å; A344-V395 HydrophobicContact CB-CG2 3.47Å; A344-V395 VanDerWaalsContact CB-CG2 3.47Å; A344-I400 HydrophobicContact CB-CG2 4.32Å
345	V	98.1	Very high	93.5	Very high	51 Å²	51	19.6 Å²	19.6	31%	0.309	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.6	170.5	-178.5	0	0	0	0	108.7	F349 V350 V395 C588 V590	V345-F349 WeakPolarHBondContact CA-O 3.47Å; V345-V350 HydrophobicContact CG2-CG2 4.38Å; V345-V395 WeakPolarHBondContact O-CG2 3.26Å; V345-C588 HydrophobicContact CG2-CB 3.53Å; V345-V590 HydrophobicContact CG1-CG1 4.12Å; V345-V590 HydrophobicContact CG2-CG1 4.2Å
346	L	97.6	Very high	93.9	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.031	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.9	174	173.1	65.8	0	0	0	108.4	N348 F349 Y351 V395 P420	L346-N348 VanDerWaalsContact C-N 3.31Å; L346-N348 PolarHBondContact O-N 3.3Å; L346-F349 PolarHBondContact N-O 2.93Å; L346-F349 PolarHBondContact O-N 3.47Å; L346-Y351 HydrophobicContact CB-CD2 4.34Å; L346-Y351 HydrophobicContact CB-CE2 3.83Å; L346-V395 HydrophobicContact CB-CG1 4.26Å; L346-V395 HydrophobicContact CB-CG2 4.32Å; L346-V395 HydrophobicContact CD1-CG1 3.72Å; L346-P420 HydrophobicContact CD2-CG 3.66Å
347	N	95.9	Very high	94.1	Very high	78 Å²	78	22.4 Å²	22.4	42%	0.417	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	48.7	176.9	-60.3	-27.6	0	0	0	113.5	P282 Q285 F349	P282-N347 WeakPolarHBondContact O-CB 3.49Å; P282-N347 PolarHBondContact O-ND2 3.12Å; Q285-N347 HydrophobicContact CB-CB 4.31Å; Q285-N347 HydrophobicContact CG-CB 3.67Å; N347-F349 VanDerWaalsContact C-N 3.28Å; N347-F349 VanDerWaalsContact O-CD2 3.31Å; N347-F349 WeakPolarHBondContact O-CD2 3.27Å; N347-F349 PolarHBondContact O-N 3.41Å
348	N	96.3	Very high	94	Very high	22 Å²	22	19 Å²	19	12%	0.118	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	3.9	-177.2	-157.1	43.2	0	0	0	116.2	L346 P373 V590 L591	L346-N348 VanDerWaalsContact C-N 3.31Å; L346-N348 PolarHBondContact O-N 3.3Å; N348-P373 VanDerWaalsContact O-CD 3.22Å; N348-P373 WeakPolarHBondContact O-CD 3.1Å; N348-P373 WeakPolarHBondContact O-CG 3.42Å; N348-V590 WeakPolarHBondContact OD1-CB 3.37Å; N348-L591 PolarHBondContact ND2-O 3.28Å; N348-L591 PolarHBondContact OD1-N 3.02Å
349	F	97.3	Very high	93.2	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.5	170.1	-65.5	-98.5	0	0	0	110.1	Q281 P282 Q285 V345 L346 N347 Y351 R370 D372	Q281-F349 HydrophobicContact CB-CE1 4.48Å; Q281-F349 HydrophobicContact CB-CZ 3.96Å; P282-F349 HydrophobicContact CB-CB 4.35Å; P282-F349 HydrophobicContact CB-CD2 3.65Å; P282-F349 HydrophobicContact CB-CE2 4.14Å; P282-F349 HydrophobicContact CB-CG 4.05Å; P282-F349 HydrophobicContact CG-CB 4.14Å; P282-F349 HydrophobicContact CG-CD1 4.05Å; P282-F349 HydrophobicContact CG-CD2 3.7Å; P282-F349 HydrophobicContact CG-CE1 4.36Å; P282-F349 HydrophobicContact CG-CE2 4.07Å; P282-F349 HydrophobicContact CG-CG 3.69Å; P282-F349 HydrophobicContact CG-CZ 4.37Å; Q285-F349 HydrophobicContact CG-CE2 4.46Å; V345-F349 WeakPolarHBondContact CA-O 3.47Å; L346-F349 PolarHBondContact N-O 2.93Å; L346-F349 PolarHBondContact O-N 3.47Å; N347-F349 VanDerWaalsContact C-N 3.28Å; N347-F349 VanDerWaalsContact O-CD2 3.31Å; N347-F349 WeakPolarHBondContact O-CD2 3.27Å; N347-F349 PolarHBondContact O-N 3.41Å; F349-Y351 HydrophobicContact CB-CE2 3.86Å; F349-Y351 WeakPolarHBondContact O-CD2 3.03Å; F349-R370 HydrophobicContact CB-CG 4.15Å; F349-R370 HydrophobicContact CD1-CG 4.41Å; F349-D372 HydrophobicContact CD1-CB 4.07Å; F349-D372 HydrophobicContact CE1-CB 3.84Å
350	V	97.9	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.4	177.6	-170.5	0	0	0	0	109.3	F301 I343 A344 V345 R370 Y371 V590	F301-V350 HydrophobicContact CD2-CG1 4.38Å; F301-V350 HydrophobicContact CE2-CB 4.4Å; F301-V350 HydrophobicContact CE2-CG1 3.87Å; F301-V350 HydrophobicContact CE2-CG2 4.25Å; I343-V350 HydrophobicContact CD1-CG1 3.76Å; I343-V350 HydrophobicContact CG1-CG1 3.79Å; A344-V350 CarbonylContact O-C 3.54Å; A344-V350 WeakPolarHBondContact O-CA 3.31Å; V345-V350 HydrophobicContact CG2-CG2 4.38Å; V350-R370 CarbonylContact O-C 3.51Å; V350-R370 VanDerWaalsContact O-CA 3.25Å; V350-R370 WeakPolarHBondContact O-CA 3.39Å; V350-Y371 HydrophobicContact CB-CD1 4.4Å; V350-Y371 HydrophobicContact CG2-CD1 4.07Å; V350-Y371 PolarHBondContact N-O 3.04Å; V350-Y371 PolarHBondContact O-N 3.16Å; V350-V590 HydrophobicContact CG2-CG1 3.41Å; V350-V590 VanDerWaalsContact CG2-CG1 3.41Å
351	Y	98.1	Very high	91.7	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.4	175.9	-69.1	-101.4	0	0	0	109.2	P282 I343 A344 L346 F349 W369 R370 I381 I400 Y418	P282-Y351 WeakPolarHBondContact CB-OH 3.32Å; P282-Y351 WeakPolarHBondContact CG-OH 3.3Å; I343-Y351 VanDerWaalsContact CA-O 3.32Å; I343-Y351 WeakPolarHBondContact CA-O 3.45Å; A344-Y351 PolarHBondContact N-O 2.92Å; A344-Y351 PolarHBondContact O-N 2.8Å; L346-Y351 HydrophobicContact CB-CD2 4.34Å; L346-Y351 HydrophobicContact CB-CE2 3.83Å; F349-Y351 HydrophobicContact CB-CE2 3.86Å; F349-Y351 WeakPolarHBondContact O-CD2 3.03Å; Y351-W369 CarbonylContact C-O 3.6Å; Y351-W369 VanDerWaalsContact CA-O 3.31Å; Y351-W369 WeakPolarHBondContact CA-O 3.32Å; Y351-R370 HydrophobicContact CD1-CB 4.08Å; Y351-R370 HydrophobicContact CD1-CG 4.19Å; Y351-R370 HydrophobicContact CD2-CG 4.49Å; Y351-R370 HydrophobicContact CE1-CB 3.97Å; Y351-R370 HydrophobicContact CE1-CG 3.82Å; Y351-R370 HydrophobicContact CE2-CG 4.1Å; Y351-I381 HydrophobicContact CD1-CD1 3.83Å; Y351-I381 HydrophobicContact CE1-CD1 4.07Å; Y351-I400 HydrophobicContact CD1-CD1 3.31Å; Y351-I400 HydrophobicContact CD2-CD1 3.61Å; Y351-I400 HydrophobicContact CE1-CD1 3.51Å; Y351-I400 HydrophobicContact CE2-CD1 3.84Å; Y351-I400 HydrophobicContact CG-CD1 3.33Å; Y351-Y418 HydrophobicContact CE1-CE1 4.2Å
352	L	97.6	Very high	91.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.6	172.1	-68.2	-179.4	0	0	0	108.9	F301 P336 Q341 G342 I343 C368 W369 W378 A586	F301-L352 HydrophobicContact CB-CD1 3.81Å; F301-L352 HydrophobicContact CB-CD2 4.38Å; F301-L352 HydrophobicContact CG-CD1 4.11Å; P336-L352 HydrophobicContact CG-CB 4.43Å; P336-L352 HydrophobicContact CG-CD1 3.54Å; Q341-L352 HydrophobicContact CB-CD2 4.37Å; G342-L352 WeakPolarHBondContact O-CA 3.35Å; I343-L352 HydrophobicContact CB-CD2 3.96Å; I343-L352 HydrophobicContact CD1-CD2 3.85Å; I343-L352 HydrophobicContact CG1-CD2 3.84Å; L352-C368 CarbonylContact O-C 3.57Å; L352-C368 WeakPolarHBondContact O-CA 3.41Å; L352-W369 HydrophobicContact CB-CB 4.41Å; L352-W369 PolarHBondContact N-O 3.27Å; L352-W369 PolarHBondContact O-N 2.86Å; L352-W378 HydrophobicContact CB-CH2 4.47Å; L352-W378 HydrophobicContact CB-CZ3 4.3Å; L352-W378 HydrophobicContact CD1-CH2 3.24Å; L352-W378 HydrophobicContact CD1-CZ2 3.99Å; L352-W378 HydrophobicContact CD1-CZ3 3.81Å; L352-W378 HydrophobicContact CG-CH2 3.67Å; L352-W378 HydrophobicContact CG-CZ3 3.96Å; L352-A586 HydrophobicContact CD2-CB 3.87Å
353	I	97.9	Very high	91	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.9	-168	-52.8	-55.2	0	0	0	108.1	G342 C368 I381 L384 H391 V393 I400 A402 W425	G342-I353 PolarHBondContact N-O 3.34Å; G342-I353 PolarHBondContact O-N 3.38Å; I353-C368 HydrophobicContact CD1-CB 3.76Å; I353-I381 HydrophobicContact CD1-CD1 4.07Å; I353-L384 HydrophobicContact CG2-CD1 3.86Å; I353-L384 HydrophobicContact CG2-CD2 4.01Å; I353-L384 HydrophobicContact CG2-CG 4.05Å; I353-H391 PolarHBondContact O-CE1 3.17Å; I353-H391 PolarHBondContact O-NE2 2.83Å; I353-V393 HydrophobicContact CB-CG2 3.98Å; I353-V393 HydrophobicContact CG1-CG1 4.18Å; I353-V393 HydrophobicContact CG1-CG2 4.39Å; I353-V393 HydrophobicContact CG2-CG2 4.24Å; I353-I400 HydrophobicContact CG1-CG2 4.41Å; I353-A402 HydrophobicContact CG2-CB 4.19Å; I353-W425 HydrophobicContact CD1-CH2 4.24Å; I353-W425 HydrophobicContact CD1-CZ2 3.96Å; I353-W425 HydrophobicContact CG1-CH2 4.34Å; I353-W425 HydrophobicContact CG2-CH2 3.77Å; I353-W425 HydrophobicContact CG2-CZ2 3.99Å
354	G	96.1	Very high	90.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.			trans	57.1	-142	179.5	0	0	0	0	0	113.5	E365 R367	G354-E365 WeakPolarHBondContact CA-O 3.46Å; G354-R367 PolarHBondContact N-O 2.98Å
355	G	94.4	Very high	90.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.			trans	105.2	-171.6	-179.9	0	0	0	0	0	113.7	N340 A364 E365 H388	N340-G355 WeakPolarHBondContact O-CA 3.24Å; G355-A364 CarbonylContact O-C 3.58Å; G355-A364 WeakPolarHBondContact O-CA 3.39Å; G355-E365 PolarHBondContact O-N 3.02Å; G355-H388 PolarHBondContact N-O 2.78Å
356	D	90.8	Very high	90.4	Very high	9 Å²	9	35 Å²	35	5%	0.048	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-105.2	123.9	-179.3	-170.2	-8.4	0	0	0	111.2	M338 S339 N358 F362 R363	M338-D356 CarbonylContact C-O 3.53Å; M338-D356 VanDerWaalsContact CA-O 3.25Å; M338-D356 WeakPolarHBondContact CA-O 3.43Å; M338-D356 WeakPolarHBondContact CB-O 3.47Å; S339-D356 PolarHBondContact N-O 2.75Å; S339-D356 PolarHBondContact O-N 2.82Å; D356-N358 VanDerWaalsContact C-N 3.3Å; D356-N358 PolarHBondContact O-N 2.66Å; D356-N358 PolarHBondContact O-ND2 2.83Å; D356-N358 VanDerWaalsContact O-ND2 3.17Å; D356-N358 PolarHBondContact OD1-N 2.82Å; D356-N358 PolarHBondContact OD2-OD1 3.25Å; D356-F362 HydrophobicContact CB-CD2 4.47Å; D356-F362 WeakPolarHBondContact OD2-CA 3.33Å; D356-F362 WeakPolarHBondContact OD2-CD2 3.2Å; D356-R363 WeakPolarHBondContact CA-O 3.33Å; D356-R363 PolarHBondContact OD1-N 3.04Å
357	K	83.9	Confident	90.4	Very high	77 Å²	77	38.8 Å²	38.8	34%	0.335	21%	0.208	S	C	.	.			trans	-70.9	-21.7	178.1	-152.3	-167	179.6	167.9	0	113.6	T359 R363 E365	K357-T359 HydrophobicContact CB-CG2 4.47Å; K357-T359 HydrophobicContact CD-CG2 3.59Å; K357-T359 HydrophobicContact CG-CG2 3.79Å; K357-T359 PolarHBondContact O-N 2.94Å; K357-R363 HydrophobicContact CB-CB 4.48Å; K357-R363 PolarHBondContact N-O 2.79Å; K357-R363 VanDerWaalsContact N-O 3.12Å; K357-E365 HydrophobicContact CB-CG 4.16Å; K357-E365 WeakPolarHBondContact CD-OE1 3.46Å
358	N	77.2	Confident	90.4	Very high	62 Å²	62	35.1 Å²	35.1	33%	0.332	19%	0.189	S	C	.	.			trans	52.1	16.7	-178.5	-63.5	-67.3	0	0	0	116.7	S339 D356 S360	S339-N358 WeakPolarHBondContact CB-ND2 3.42Å; S339-N358 PolarHBondContact OG-ND2 2.83Å; D356-N358 VanDerWaalsContact C-N 3.3Å; D356-N358 PolarHBondContact O-N 2.66Å; D356-N358 PolarHBondContact O-ND2 2.83Å; D356-N358 VanDerWaalsContact O-ND2 3.17Å; D356-N358 PolarHBondContact OD1-N 2.82Å; D356-N358 PolarHBondContact OD2-OD1 3.25Å; N358-S360 PolarHBondContact O-N 3.03Å
359	T	70.9	Confident	90.4	Very high	86 Å²	86	35.4 Å²	35.4	53%	0.528	19%	0.188	S	C	.	.	S	Bend	trans	-73.2	-28.4	-175.5	49.6	0	0	0	0	113.4	K357	K357-T359 HydrophobicContact CB-CG2 4.47Å; K357-T359 HydrophobicContact CD-CG2 3.59Å; K357-T359 HydrophobicContact CG-CG2 3.79Å; K357-T359 PolarHBondContact O-N 2.94Å
360	S	68.6	Low	90.3	Very high	94 Å²	94	35.5 Å²	35.5	66%	0.657	19%	0.188	S	C	*	.	S	Bend	trans	-160	54.1	-174.3	60.8	0	0	0	0	110.3	N358	N358-S360 PolarHBondContact O-N 3.03Å
361	G	80.4	Confident	90.2	Very high	47 Å²	47	35.5 Å²	35.5	49%	0.485	19%	0.188	S	C	.	.	S	Bend	trans	84.1	-171.3	-167.6	0	0	0	0	0	112.8	R363	G361-R363 PolarHBondContact O-N 3.49Å
362	F	86.7	Confident	90.1	Very high	50 Å²	50	35.7 Å²	35.7	22%	0.219	19%	0.19	C	C	.	.			trans	-62.9	122.6	-175.5	173.6	-96.9	0	0	0	111.6	D356 A364 A389 R406 D407	D356-F362 HydrophobicContact CB-CD2 4.47Å; D356-F362 WeakPolarHBondContact OD2-CA 3.33Å; D356-F362 WeakPolarHBondContact OD2-CD2 3.2Å; F362-A364 HydrophobicContact CE1-CB 4.35Å; F362-A364 HydrophobicContact CZ-CB 4.04Å; F362-A389 HydrophobicContact CE2-CB 3.69Å; F362-A389 HydrophobicContact CZ-CB 3.75Å; F362-R406 HydrophobicContact CE1-CG 4.25Å; F362-R406 HydrophobicContact CE2-CG 4.41Å; F362-R406 VanDerWaalsContact CG-NH2 3.25Å; F362-R406 HydrophobicContact CZ-CG 3.63Å; F362-D407 WeakPolarHBondContact CE1-O 3.45Å
363	R	88.9	Confident	89.8	Confident	134 Å²	134	35.7 Å²	35.7	51%	0.506	19%	0.19	S	C	.	.			trans	-145.6	96.7	178.9	-168.5	168.8	-174.5	161.5	1.7	111.2	D356 K357 G361	D356-R363 WeakPolarHBondContact CA-O 3.33Å; D356-R363 PolarHBondContact OD1-N 3.04Å; K357-R363 HydrophobicContact CB-CB 4.48Å; K357-R363 PolarHBondContact N-O 2.79Å; K357-R363 VanDerWaalsContact N-O 3.12Å; G361-R363 PolarHBondContact O-N 3.49Å
364	A	93.6	Very high	89.4	Confident	9 Å²	9	36.4 Å²	36.4	7%	0.074	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-60.2	145.9	172.5	0	0	0	0	0	111.7	G355 F362 Q387 A389	G355-A364 CarbonylContact O-C 3.58Å; G355-A364 WeakPolarHBondContact O-CA 3.39Å; F362-A364 HydrophobicContact CE1-CB 4.35Å; F362-A364 HydrophobicContact CZ-CB 4.04Å; A364-Q387 HydrophobicContact CB-CB 3.74Å; A364-Q387 WeakPolarHBondContact O-CG 3.39Å; A364-A389 HydrophobicContact CB-CB 3.75Å
365	E	93.3	Very high	89	Confident	25 Å²	25	40 Å²	40	12%	0.117	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-126.2	155.1	-173.2	-80.6	-81.8	-167.3	0	0	112.4	M338 G354 G355 K357 R367 H388	M338-E365 HydrophobicContact SD-CB 4.11Å; M338-E365 HydrophobicContact SD-CG 4.07Å; G354-E365 WeakPolarHBondContact CA-O 3.46Å; G355-E365 PolarHBondContact O-N 3.02Å; K357-E365 HydrophobicContact CB-CG 4.16Å; K357-E365 WeakPolarHBondContact CD-OE1 3.46Å; E365-R367 VanDerWaalsContact CD-NH2 3.3Å; E365-R367 IonicContact OE1-CZ 3.05Å; E365-R367 IonicContact OE1-NE 3.95Å; E365-R367 IonicContact OE1-NH2 3.66Å; E365-R367 PolarHBondContact OE1-NH2 3.19Å; E365-R367 IonicContact OE2-CZ 3.61Å; E365-R367 IonicContact OE2-NE 3.6Å; E365-R367 PolarHBondContact OE2-NE 2.88Å; E365-R367 VanDerWaalsContact OE2-NE 3.09Å; E365-R367 IonicContact OE2-NH2 3.58Å; E365-H388 PolarHBondContact O-N 2.81Å; E365-H388 VanDerWaalsContact O-N 3.15Å
366	T	96	Very high	88.8	Confident	33 Å²	33	40.6 Å²	40.6	20%	0.202	21%	0.212	C	C	.	.			trans	-97.9	-13.6	171.3	53	0	0	0	0	112.9	C368 P383 L384 Q386 Q387	T366-C368 PolarHBondContact O-SG 3.28Å; T366-P383 CarbonylContact O-C 3.59Å; T366-P383 WeakPolarHBondContact O-CA 3.33Å; T366-P383 VanDerWaalsContact O-CB 3.32Å; T366-P383 WeakPolarHBondContact O-CB 3.33Å; T366-L384 HydrophobicContact CG2-CB 4.41Å; T366-L384 PolarHBondContact O-N 3.23Å; T366-Q386 WeakPolarHBondContact CG2-O 3.46Å; T366-Q387 HydrophobicContact CG2-CB 4.46Å; T366-Q387 HydrophobicContact CG2-CG 3.96Å
367	R	95.7	Very high	88.8	Confident	85 Å²	85	43.6 Å²	43.6	32%	0.321	23%	0.227	S	C	.	.			trans	-65.8	141	-171.5	-69.8	-179.9	-73.3	146.9	4.6	110.9	G354 E365	G354-R367 PolarHBondContact N-O 2.98Å; E365-R367 VanDerWaalsContact CD-NH2 3.3Å; E365-R367 IonicContact OE1-CZ 3.05Å; E365-R367 IonicContact OE1-NE 3.95Å; E365-R367 IonicContact OE1-NH2 3.66Å; E365-R367 PolarHBondContact OE1-NH2 3.19Å; E365-R367 IonicContact OE2-CZ 3.61Å; E365-R367 IonicContact OE2-NE 3.6Å; E365-R367 PolarHBondContact OE2-NE 2.88Å; E365-R367 VanDerWaalsContact OE2-NE 3.09Å; E365-R367 IonicContact OE2-NH2 3.58Å
368	C	96.8	Very high	89.3	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.3	-176.2	-64.5	0	0	0	0	109.3	L352 I353 T366 I381	L352-C368 CarbonylContact O-C 3.57Å; L352-C368 WeakPolarHBondContact O-CA 3.41Å; I353-C368 HydrophobicContact CD1-CB 3.76Å; T366-C368 PolarHBondContact O-SG 3.28Å; C368-I381 HydrophobicContact CB-CD1 3.86Å; C368-I381 HydrophobicContact CB-CG1 3.41Å; C368-I381 VanDerWaalsContact CB-CG1 3.41Å; C368-I381 PolarHBondContact O-N 3.11Å
369	W	95.9	Very high	90	Very high	28 Å²	28	38.4 Å²	38.4	11%	0.106	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148	-172.5	-57	88	0	0	0	110.2	Q334 P336 Y351 L352 W378 S380	Q334-W369 HydrophobicContact CB-CZ3 4.33Å; P336-W369 HydrophobicContact CB-CD2 4.31Å; P336-W369 HydrophobicContact CB-CG 4.1Å; P336-W369 HydrophobicContact CG-CB 4.27Å; P336-W369 HydrophobicContact CG-CD2 4.41Å; P336-W369 HydrophobicContact CG-CG 3.91Å; Y351-W369 CarbonylContact C-O 3.6Å; Y351-W369 VanDerWaalsContact CA-O 3.31Å; Y351-W369 WeakPolarHBondContact CA-O 3.32Å; L352-W369 HydrophobicContact CB-CB 4.41Å; L352-W369 PolarHBondContact N-O 3.27Å; L352-W369 PolarHBondContact O-N 2.86Å; W369-W378 HydrophobicContact CB-CE3 3.65Å; W369-W378 HydrophobicContact CB-CZ3 3.8Å; W369-S380 WeakPolarHBondContact CH2-OG 3.32Å; W369-S380 WeakPolarHBondContact CZ3-OG 3.42Å
370	R	96.6	Very high	91.1	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.9	170.5	-177.4	-164.1	66.8	176.9	4.2	109.7	E278 L279 F349 V350 Y351 W378 C379 I381	E278-R370 VanDerWaalsContact O-CZ 3.28Å; E278-R370 PolarHBondContact O-NH1 2.84Å; E278-R370 PolarHBondContact O-NH2 2.87Å; E278-R370 IonicContact OE1-NH2 2.93Å; E278-R370 PolarHBondContact OE1-NH2 3.12Å; L279-R370 PolarHBondContact O-NH1 3.05Å; F349-R370 HydrophobicContact CB-CG 4.15Å; F349-R370 HydrophobicContact CD1-CG 4.41Å; V350-R370 CarbonylContact O-C 3.51Å; V350-R370 VanDerWaalsContact O-CA 3.25Å; V350-R370 WeakPolarHBondContact O-CA 3.39Å; Y351-R370 HydrophobicContact CD1-CB 4.08Å; Y351-R370 HydrophobicContact CD1-CG 4.19Å; Y351-R370 HydrophobicContact CD2-CG 4.49Å; Y351-R370 HydrophobicContact CE1-CB 3.97Å; Y351-R370 HydrophobicContact CE1-CG 3.82Å; Y351-R370 HydrophobicContact CE2-CG 4.1Å; R370-W378 VanDerWaalsContact C-CE3 3.43Å; R370-W378 CarbonylContact O-C 3.58Å; R370-W378 WeakPolarHBondContact O-CA 3.44Å; R370-C379 VanDerWaalsContact CZ-SG 3.6Å; R370-C379 PolarHBondContact N-O 3.1Å; R370-C379 PolarHBondContact NE-SG 2.85Å; R370-C379 PolarHBondContact NH2-SG 3.49Å; R370-C379 PolarHBondContact O-N 2.83Å; R370-I381 HydrophobicContact CB-CG2 3.96Å
371	Y	95.9	Very high	92.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.1	174.2	-179.8	-116.4	0	0	0	111	L299 F301 F317 A332 V350 P373 N376 I377 W378	L299-Y371 HydrophobicContact CD1-CD1 4.49Å; L299-Y371 HydrophobicContact CD1-CE1 3.97Å; F301-Y371 HydrophobicContact CZ-CD1 4.08Å; F301-Y371 HydrophobicContact CZ-CE1 4.29Å; F317-Y371 HydrophobicContact CZ-CE2 4.41Å; F317-Y371 AromaticContact CZ-CZ 3.93Å; F317-Y371 WeakPolarHBondContact CZ-OH 3.41Å; A332-Y371 HydrophobicContact CB-CE2 4.11Å; V350-Y371 HydrophobicContact CB-CD1 4.4Å; V350-Y371 HydrophobicContact CG2-CD1 4.07Å; V350-Y371 PolarHBondContact N-O 3.04Å; V350-Y371 PolarHBondContact O-N 3.16Å; Y371-P373 HydrophobicContact CD1-CB 4.3Å; Y371-P373 HydrophobicContact CE1-CB 3.81Å; Y371-N376 VanDerWaalsContact CE2-OD1 3.31Å; Y371-N376 WeakPolarHBondContact CE2-OD1 3.35Å; Y371-N376 PolarHBondContact OH-OD1 3.29Å; Y371-I377 WeakPolarHBondContact CA-O 3.48Å; Y371-I377 WeakPolarHBondContact CD2-O 3.46Å; Y371-W378 VanDerWaalsContact CB-CH2 3.49Å; Y371-W378 VanDerWaalsContact CB-CZ3 3.48Å; Y371-W378 AromaticContact CD2-CD1 3.92Å; Y371-W378 AromaticContact CD2-CD2 3.89Å; Y371-W378 HydrophobicContact CD2-CD2 3.89Å; Y371-W378 AromaticContact CD2-CE2 3.52Å; Y371-W378 HydrophobicContact CD2-CG 4.13Å; Y371-W378 AromaticContact CD2-CZ2 3.93Å; Y371-W378 HydrophobicContact CD2-CZ2 3.93Å; Y371-W378 AromaticContact CD2-NE1 3.52Å; Y371-W378 HydrophobicContact CG-CD2 4.28Å; Y371-W378 AromaticContact CG-CE2 3.94Å; Y371-W378 HydrophobicContact CG-CH2 4.22Å; Y371-W378 AromaticContact CG-CZ2 3.93Å; Y371-W378 HydrophobicContact CG-CZ2 3.93Å
372	D	94.1	Very high	93.2	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.9	169.6	-177.2	-4.4	0	0	0	109.7	F349 R374 H375 N376 I377	F349-D372 HydrophobicContact CD1-CB 4.07Å; F349-D372 HydrophobicContact CE1-CB 3.84Å; D372-R374 PolarHBondContact O-N 2.88Å; D372-R374 VanDerWaalsContact O-N 3.15Å; D372-R374 WeakPolarHBondContact OD1-CB 3.47Å; D372-R374 WeakPolarHBondContact OD1-CG 3.31Å; D372-R374 IonicContact OD1-CZ 3.54Å; D372-R374 PolarHBondContact OD1-N 2.93Å; D372-R374 IonicContact OD1-NE 3.33Å; D372-R374 PolarHBondContact OD1-NE 3.35Å; D372-R374 IonicContact OD1-NH2 3.68Å; D372-R374 IonicContact OD2-CZ 2.82Å; D372-R374 IonicContact OD2-NE 3.61Å; D372-R374 PolarHBondContact OD2-NE 2.9Å; D372-R374 IonicContact OD2-NH2 2.83Å; D372-R374 PolarHBondContact OD2-NH2 2.82Å; D372-H375 PolarHBondContact O-N 2.87Å; D372-H375 IonicContact OD1-ND1 3.73Å; D372-H375 IonicContact OD2-CE1 3.86Å; D372-H375 IonicContact OD2-ND1 3.54Å; D372-H375 PolarHBondContact OD2-ND1 3.47Å; D372-N376 WeakPolarHBondContact O-CA 3.42Å; D372-N376 PolarHBondContact O-N 2.8Å; D372-I377 HydrophobicContact CB-CG1 3.99Å; D372-I377 PolarHBondContact N-O 3.09Å; D372-I377 PolarHBondContact O-N 3.33Å
373	P	93.1	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8	-178.8	30.4	-37.1	0	0	0	114	N348 Y371 V590 L592	N348-P373 VanDerWaalsContact O-CD 3.22Å; N348-P373 WeakPolarHBondContact O-CD 3.1Å; N348-P373 WeakPolarHBondContact O-CG 3.42Å; Y371-P373 HydrophobicContact CD1-CB 4.3Å; Y371-P373 HydrophobicContact CE1-CB 3.81Å; P373-V590 HydrophobicContact CB-CG2 4.26Å; P373-L592 HydrophobicContact CB-CD2 3.64Å
374	R	89.4	Confident	94.2	Very high	15 Å²	15	31 Å²	31	6%	0.057	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-38.3	-178.1	-50	177	-70.5	157.4	9.6	110.6	Y274 P291 D372 S593	Y274-R374 PolarHBondContact OH-NH1 3.07Å; P291-R374 HydrophobicContact CG-CB 4.31Å; P291-R374 HydrophobicContact CG-CG 3.55Å; D372-R374 PolarHBondContact O-N 2.88Å; D372-R374 VanDerWaalsContact O-N 3.15Å; D372-R374 WeakPolarHBondContact OD1-CB 3.47Å; D372-R374 WeakPolarHBondContact OD1-CG 3.31Å; D372-R374 IonicContact OD1-CZ 3.54Å; D372-R374 PolarHBondContact OD1-N 2.93Å; D372-R374 IonicContact OD1-NE 3.33Å; D372-R374 PolarHBondContact OD1-NE 3.35Å; D372-R374 IonicContact OD1-NH2 3.68Å; D372-R374 IonicContact OD2-CZ 2.82Å; D372-R374 IonicContact OD2-NE 3.61Å; D372-R374 PolarHBondContact OD2-NE 2.9Å; D372-R374 IonicContact OD2-NH2 2.83Å; D372-R374 PolarHBondContact OD2-NH2 2.82Å; R374-S593 PolarHBondContact O-OG 2.93Å
375	H	86.8	Confident	94.4	Very high	76 Å²	76	35.4 Å²	35.4	35%	0.352	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-3.9	-176	-51.2	103.9	0	0	0	113.2	D372 I377	D372-H375 PolarHBondContact O-N 2.87Å; D372-H375 IonicContact OD1-ND1 3.73Å; D372-H375 IonicContact OD2-CE1 3.86Å; D372-H375 IonicContact OD2-ND1 3.54Å; D372-H375 PolarHBondContact OD2-ND1 3.47Å; H375-I377 HydrophobicContact CB-CD1 4.15Å; H375-I377 HydrophobicContact CB-CG1 4.12Å; H375-I377 HydrophobicContact CB-CG2 4.42Å
376	N	91.1	Very high	94.5	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.064	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	49.7	-178.3	-170.2	29.6	0	0	0	113	T331 A332 Y371 D372 V596 Q599	T331-N376 PolarHBondContact O-ND2 2.98Å; A332-N376 WeakPolarHBondContact CB-OD1 3.14Å; Y371-N376 VanDerWaalsContact CE2-OD1 3.31Å; Y371-N376 WeakPolarHBondContact CE2-OD1 3.35Å; Y371-N376 PolarHBondContact OH-OD1 3.29Å; D372-N376 WeakPolarHBondContact O-CA 3.42Å; D372-N376 PolarHBondContact O-N 2.8Å; N376-V596 HydrophobicContact CB-CG1 4.2Å; N376-V596 HydrophobicContact CB-CG2 3.81Å; N376-Q599 PolarHBondContact ND2-OE1 2.79Å; N376-Q599 VanDerWaalsContact ND2-OE1 3.11Å
377	I	90.6	Very high	94.5	Very high	72 Å²	72	39.1 Å²	39.1	37%	0.369	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.9	-177.7	61.8	178.2	0	0	0	112	Y371 D372 H375	Y371-I377 WeakPolarHBondContact CA-O 3.48Å; Y371-I377 WeakPolarHBondContact CD2-O 3.46Å; D372-I377 HydrophobicContact CB-CG1 3.99Å; D372-I377 PolarHBondContact N-O 3.09Å; D372-I377 PolarHBondContact O-N 3.33Å; H375-I377 HydrophobicContact CB-CD1 4.15Å; H375-I377 HydrophobicContact CB-CG1 4.12Å; H375-I377 HydrophobicContact CB-CG2 4.42Å
378	W	93.3	Very high	94.6	Very high	12 Å²	12	35 Å²	35	5%	0.045	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	147.4	171.2	-70	94.7	0	0	0	111.4	F301 Q334 L352 W369 R370 Y371	F301-W378 HydrophobicContact CD1-CH2 4.22Å; F301-W378 AromaticContact CD1-CZ2 3.63Å; F301-W378 HydrophobicContact CD1-CZ2 3.63Å; F301-W378 HydrophobicContact CE1-CH2 4.16Å; F301-W378 AromaticContact CE1-CZ2 3.47Å; F301-W378 HydrophobicContact CE1-CZ2 3.47Å; F301-W378 VanDerWaalsContact CE1-CZ2 3.47Å; F301-W378 HydrophobicContact CG-CZ2 4.34Å; F301-W378 HydrophobicContact CZ-CH2 4.37Å; F301-W378 HydrophobicContact CZ-CZ2 4.04Å; Q334-W378 HydrophobicContact CB-CB 4.41Å; L352-W378 HydrophobicContact CB-CH2 4.47Å; L352-W378 HydrophobicContact CB-CZ3 4.3Å; L352-W378 HydrophobicContact CD1-CH2 3.24Å; L352-W378 HydrophobicContact CD1-CZ2 3.99Å; L352-W378 HydrophobicContact CD1-CZ3 3.81Å; L352-W378 HydrophobicContact CG-CH2 3.67Å; L352-W378 HydrophobicContact CG-CZ3 3.96Å; W369-W378 HydrophobicContact CB-CE3 3.65Å; W369-W378 HydrophobicContact CB-CZ3 3.8Å; R370-W378 VanDerWaalsContact C-CE3 3.43Å; R370-W378 CarbonylContact O-C 3.58Å; R370-W378 WeakPolarHBondContact O-CA 3.44Å; Y371-W378 VanDerWaalsContact CB-CH2 3.49Å; Y371-W378 VanDerWaalsContact CB-CZ3 3.48Å; Y371-W378 AromaticContact CD2-CD1 3.92Å; Y371-W378 AromaticContact CD2-CD2 3.89Å; Y371-W378 HydrophobicContact CD2-CD2 3.89Å; Y371-W378 AromaticContact CD2-CE2 3.52Å; Y371-W378 HydrophobicContact CD2-CG 4.13Å; Y371-W378 AromaticContact CD2-CZ2 3.93Å; Y371-W378 HydrophobicContact CD2-CZ2 3.93Å; Y371-W378 AromaticContact CD2-NE1 3.52Å; Y371-W378 HydrophobicContact CG-CD2 4.28Å; Y371-W378 AromaticContact CG-CE2 3.94Å; Y371-W378 HydrophobicContact CG-CH2 4.22Å; Y371-W378 AromaticContact CG-CZ2 3.93Å; Y371-W378 HydrophobicContact CG-CZ2 3.93Å
379	C	92.6	Very high	94.5	Very high	18 Å²	18	35 Å²	35	12%	0.122	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.3	164.9	69.4	0	0	0	0	110.3	R370	R370-C379 VanDerWaalsContact CZ-SG 3.6Å; R370-C379 PolarHBondContact N-O 3.1Å; R370-C379 PolarHBondContact NE-SG 2.85Å; R370-C379 PolarHBondContact NH2-SG 3.49Å; R370-C379 PolarHBondContact O-N 2.83Å
380	S	93.8	Very high	94.5	Very high	71 Å²	71	34.3 Å²	34.3	50%	0.497	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.8	170.4	-53.7	0	0	0	0	110.6	W369	W369-S380 WeakPolarHBondContact CH2-OG 3.32Å; W369-S380 WeakPolarHBondContact CZ3-OG 3.42Å
381	I	96.2	Very high	94.5	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.062	18%	0.177	C	C	.	.			trans	-108.8	-178.6	168.8	64	167.9	0	0	0	109.6	L279 Y351 I353 C368 R370 Y418	L279-I381 HydrophobicContact CD2-CG2 4.17Å; Y351-I381 HydrophobicContact CD1-CD1 3.83Å; Y351-I381 HydrophobicContact CE1-CD1 4.07Å; I353-I381 HydrophobicContact CD1-CD1 4.07Å; C368-I381 HydrophobicContact CB-CD1 3.86Å; C368-I381 HydrophobicContact CB-CG1 3.41Å; C368-I381 VanDerWaalsContact CB-CG1 3.41Å; C368-I381 PolarHBondContact O-N 3.11Å; R370-I381 HydrophobicContact CB-CG2 3.96Å; I381-Y418 HydrophobicContact CD1-CD1 4.47Å; I381-Y418 HydrophobicContact CD1-CD2 4.44Å; I381-Y418 HydrophobicContact CD1-CE1 4.02Å; I381-Y418 HydrophobicContact CD1-CE2 4Å
382	K	97.9	Very high	94.6	Very high	107 Å²	107	35.3 Å²	35.3	47%	0.465	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-53.6	130.1	176.2	-170.1	76.9	-176.1	-176.9	0	110.2	Y418 N423 W425	K382-Y418 HydrophobicContact CB-CE2 4.31Å; K382-N423 WeakPolarHBondContact CB-O 3.1Å; K382-N423 WeakPolarHBondContact CB-OD1 3.41Å; K382-N423 PolarHBondContact N-OD1 2.85Å; K382-W425 PolarHBondContact O-NE1 2.87Å
383	P	98.3	Very high	94.8	Very high	58 Å²	58	35.7 Å²	35.7	38%	0.377	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-69.5	154.2	174.6	29.4	-34.8	0	0	0	110.8	T366	T366-P383 CarbonylContact O-C 3.59Å; T366-P383 WeakPolarHBondContact O-CA 3.33Å; T366-P383 VanDerWaalsContact O-CB 3.32Å; T366-P383 WeakPolarHBondContact O-CB 3.33Å
384	L	98.2	Very high	95	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-54.4	154.8	169.3	-69.7	164.3	0	0	0	111.1	I353 T366 Q386 H388 A402 E416 W425	I353-L384 HydrophobicContact CG2-CD1 3.86Å; I353-L384 HydrophobicContact CG2-CD2 4.01Å; I353-L384 HydrophobicContact CG2-CG 4.05Å; T366-L384 HydrophobicContact CG2-CB 4.41Å; T366-L384 PolarHBondContact O-N 3.23Å; L384-Q386 WeakPolarHBondContact CB-O 3.29Å; L384-H388 HydrophobicContact CD1-CB 3.83Å; L384-A402 HydrophobicContact CD2-CB 3.78Å; L384-E416 HydrophobicContact CD2-CB 4.21Å; L384-W425 HydrophobicContact CD2-CD2 3.83Å; L384-W425 HydrophobicContact CD2-CE3 3.77Å; L384-W425 HydrophobicContact CD2-CH2 3.79Å; L384-W425 HydrophobicContact CD2-CZ2 3.85Å; L384-W425 HydrophobicContact CD2-CZ3 3.75Å; L384-W425 HydrophobicContact CG-CZ2 4.43Å
385	Q	97.7	Very high	95.5	Very high	102 Å²	102	37.1 Å²	37.1	48%	0.477	19%	0.194	S	C	.	.	S	Bend	trans	-76.1	-27.8	174.8	-64.1	172	87.2	0	0	111.8	E416 W425 Y427	Q385-E416 VanDerWaalsContact CB-OE2 3.25Å; Q385-E416 WeakPolarHBondContact CB-OE2 3.33Å; Q385-E416 WeakPolarHBondContact CG-OE2 3.17Å; Q385-E416 PolarHBondContact N-OE1 3Å; Q385-E416 VanDerWaalsContact N-OE1 3.12Å; Q385-E416 PolarHBondContact N-OE2 2.99Å; Q385-E416 PolarHBondContact NE2-OE2 3.04Å; Q385-W425 HydrophobicContact CG-CB 4.42Å; Q385-Y427 HydrophobicContact CB-CE2 4.15Å; Q385-Y427 WeakPolarHBondContact CB-OH 3.17Å; Q385-Y427 HydrophobicContact CG-CE2 4.49Å
386	Q	95.5	Very high	96	Very high	49 Å²	49	33.9 Å²	33.9	23%	0.229	18%	0.179	C	C	.	.	S	Bend	trans	-126	156.4	173.6	-172.1	165	4.9	0	0	111.6	T366 L384 H388 D407 L412 E416	T366-Q386 WeakPolarHBondContact CG2-O 3.46Å; L384-Q386 WeakPolarHBondContact CB-O 3.29Å; Q386-H388 PolarHBondContact O-CD2 3.07Å; Q386-H388 VanDerWaalsContact O-CD2 3.26Å; Q386-D407 PolarHBondContact NE2-OD2 3Å; Q386-L412 HydrophobicContact CG-CD1 4.4Å; Q386-E416 PolarHBondContact N-OE1 3.44Å; Q386-E416 VanDerWaalsContact N-OE1 3.08Å
387	Q	96.1	Very high	96.2	Very high	87 Å²	87	38.5 Å²	38.5	41%	0.407	20%	0.204	S	C	.	.			trans	-71.7	130.6	175.2	-62.5	74.5	22.9	0	0	110.3	A364 T366 D407 L412	A364-Q387 HydrophobicContact CB-CB 3.74Å; A364-Q387 WeakPolarHBondContact O-CG 3.39Å; T366-Q387 HydrophobicContact CG2-CB 4.46Å; T366-Q387 HydrophobicContact CG2-CG 3.96Å; Q387-D407 HydrophobicContact CB-CB 4.1Å; Q387-D407 WeakPolarHBondContact O-CB 3.38Å; Q387-L412 WeakPolarHBondContact O-CD1 3.41Å
388	H	95.8	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-124.6	128.5	177.1	-72.8	-136.4	0	0	0	110.3	G355 E365 L384 Q386 H391 G404 E416	G355-H388 PolarHBondContact N-O 2.78Å; E365-H388 PolarHBondContact O-N 2.81Å; E365-H388 VanDerWaalsContact O-N 3.15Å; L384-H388 HydrophobicContact CD1-CB 3.83Å; Q386-H388 PolarHBondContact O-CD2 3.07Å; Q386-H388 VanDerWaalsContact O-CD2 3.26Å; H388-H391 HydrophobicContact CB-CB 4.32Å; H388-G404 PolarHBondContact ND1-O 2.91Å; H388-E416 IonicContact NE2-OE1 3.52Å
389	A	95.4	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-138.9	160.5	165.4	0	0	0	0	0	110.2	F362 A364 H391 G405 R406	F362-A389 HydrophobicContact CE2-CB 3.69Å; F362-A389 HydrophobicContact CZ-CB 3.75Å; A364-A389 HydrophobicContact CB-CB 3.75Å; A389-H391 PolarHBondContact O-N 2.82Å; A389-G405 WeakPolarHBondContact O-CA 3.43Å; A389-R406 PolarHBondContact N-O 3.31Å; A389-R406 PolarHBondContact O-N 3.46Å
390	D	96.2	Very high	97	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	20%	0.203	C	C	.	.	S	Bend	trans	50.5	39	-173.4	-57.4	-37.9	0	0	0	112	N340 R406 Y436 A437	N340-D390 WeakPolarHBondContact CB-OD1 3.39Å; N340-D390 PolarHBondContact ND2-OD1 2.77Å; D390-R406 IonicContact OD2-CZ 2.76Å; D390-R406 IonicContact OD2-NE 3.09Å; D390-R406 PolarHBondContact OD2-NE 3.28Å; D390-Y436 HydrophobicContact CB-CD2 4.2Å; D390-A437 HydrophobicContact CB-CB 4.32Å; D390-A437 PolarHBondContact O-N 2.91Å
391	H	97.6	Very high	97.2	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.065	18%	0.18	C	C	.	.			trans	-111	169.8	-176.7	68.2	-73.6	0	0	0	110.4	I353 H388 A389 V393 G404	I353-H391 PolarHBondContact O-CE1 3.17Å; I353-H391 PolarHBondContact O-NE2 2.83Å; H388-H391 HydrophobicContact CB-CB 4.32Å; A389-H391 PolarHBondContact O-N 2.82Å; H391-V393 VanDerWaalsContact CD2-CG2 3.5Å; H391-V393 WeakPolarHBondContact CD2-CG2 3.22Å; H391-V393 VanDerWaalsContact NE2-CG2 3.3Å; H391-V393 WeakPolarHBondContact NE2-CG2 3.05Å; H391-G404 WeakPolarHBondContact CB-O 3.2Å
392	C	96.8	Very high	97.3	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.068	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.3	171.5	178.5	0	0	0	0	110.6	C394 I403 H438 G440	C392-C394 VanDerWaalsContact SG-SG 3.62Å; C392-I403 HydrophobicContact CB-CB 4.49Å; C392-I403 PolarHBondContact N-O 3.32Å; C392-I403 PolarHBondContact O-N 3.35Å; C392-H438 WeakPolarHBondContact CB-NE2 3.48Å; C392-G440 WeakPolarHBondContact SG-CA 2.97Å; C392-G440 PolarHBondContact SG-N 2.92Å
393	V	98.4	Very high	97.4	Very high	14 Å²	14	28.1 Å²	28.1	9%	0.085	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.3	168.8	177.9	0	0	0	0	110	G342 A344 I353 H391 I400 Y401 A402	G342-V393 VanDerWaalsContact CA-CG2 3.48Å; A344-V393 HydrophobicContact CB-CG1 3.64Å; I353-V393 HydrophobicContact CB-CG2 3.98Å; I353-V393 HydrophobicContact CG1-CG1 4.18Å; I353-V393 HydrophobicContact CG1-CG2 4.39Å; I353-V393 HydrophobicContact CG2-CG2 4.24Å; H391-V393 VanDerWaalsContact CD2-CG2 3.5Å; H391-V393 WeakPolarHBondContact CD2-CG2 3.22Å; H391-V393 VanDerWaalsContact NE2-CG2 3.3Å; H391-V393 WeakPolarHBondContact NE2-CG2 3.05Å; V393-I400 HydrophobicContact CG1-CG2 3.5Å; V393-I400 VanDerWaalsContact CG1-CG2 3.5Å; V393-Y401 WeakPolarHBondContact CA-O 3.38Å; V393-A402 HydrophobicContact CG2-CB 4.37Å
394	C	98.1	Very high	97.4	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.054	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.6	-177.6	-79.2	0	0	0	0	110.8	C392 I400 Y401 I403 V442 M447	C392-C394 VanDerWaalsContact SG-SG 3.62Å; C394-I400 CarbonylContact O-C 3.59Å; C394-I400 WeakPolarHBondContact O-CA 3.34Å; C394-Y401 PolarHBondContact N-O 3.21Å; C394-Y401 PolarHBondContact O-N 2.81Å; C394-I403 HydrophobicContact CB-CD1 4.35Å; C394-V442 HydrophobicContact CB-CG2 3.69Å; C394-M447 HydrophobicContact CB-CG 4.07Å; C394-M447 HydrophobicContact CB-SD 3.41Å; C394-M447 WeakPolarHBondContact CB-SD 3.49Å
395	V	98.3	Very high	97.3	Very high	37 Å²	37	25 Å²	25	22%	0.224	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.6	170.1	-179	0	0	0	0	108.8	A344 V345 L346 H399 I400 V442	A344-V395 HydrophobicContact CB-CG2 3.47Å; A344-V395 VanDerWaalsContact CB-CG2 3.47Å; V345-V395 WeakPolarHBondContact O-CG2 3.26Å; L346-V395 HydrophobicContact CB-CG1 4.26Å; L346-V395 HydrophobicContact CB-CG2 4.32Å; L346-V395 HydrophobicContact CD1-CG1 3.72Å; V395-H399 WeakPolarHBondContact CA-O 3.15Å; V395-I400 HydrophobicContact CG2-CG1 4.17Å; V395-V442 VanDerWaalsContact O-CG2 3.22Å; V395-V442 WeakPolarHBondContact O-CG2 3.42Å
396	L	97.9	Very high	97.3	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.2	176.3	179.4	59.3	0	0	0	109.7	G398 H399 Y401 V442 G445 M447 Y465 P467	L396-G398 PolarHBondContact O-N 2.93Å; L396-G398 VanDerWaalsContact O-N 3.14Å; L396-H399 PolarHBondContact N-O 2.78Å; L396-H399 PolarHBondContact O-N 3.05Å; L396-Y401 HydrophobicContact CB-CD2 4.28Å; L396-Y401 HydrophobicContact CB-CE2 3.9Å; L396-V442 HydrophobicContact CD1-CG1 3.91Å; L396-G445 VanDerWaalsContact CD1-C 3.49Å; L396-G445 WeakPolarHBondContact CD1-O 2.98Å; L396-M447 HydrophobicContact CB-CG 4.15Å; L396-M447 HydrophobicContact CB-SD 4.3Å; L396-M447 HydrophobicContact CD2-CE 4.43Å; L396-M447 HydrophobicContact CD2-CG 3.68Å; L396-M447 HydrophobicContact CD2-SD 4.44Å; L396-Y465 HydrophobicContact CD2-CD1 4.48Å; L396-P467 HydrophobicContact CD2-CB 3.95Å; L396-P467 HydrophobicContact CD2-CG 3.72Å; L396-P467 HydrophobicContact CG-CG 4.29Å
397	D	95.9	Very high	97.2	Very high	108 Å²	108	21.7 Å²	21.7	58%	0.578	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	41.3	179.3	-59.7	-24.9	0	0	0	113.9	H399 P467	D397-H399 PolarHBondContact O-CE1 3.35Å; D397-H399 PolarHBondContact O-N 3.46Å; D397-H399 PolarHBondContact O-ND1 3.35Å; D397-P467 WeakPolarHBondContact OD2-CG 3.38Å
398	G	95.9	Very high	96.9	Very high	34 Å²	34	26.2 Å²	26.2	35%	0.351	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	2.2	179.4	0	0	0	0	0	115.6	L396	L396-G398 PolarHBondContact O-N 2.93Å; L396-G398 VanDerWaalsContact O-N 3.14Å
399	H	98.1	Very high	96.6	Very high	39 Å²	39	30.8 Å²	30.8	18%	0.181	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	157.9	177.7	-59.5	79.5	0	0	0	111	V395 L396 D397 Y401 R417 Y418	V395-H399 WeakPolarHBondContact CA-O 3.15Å; L396-H399 PolarHBondContact N-O 2.78Å; L396-H399 PolarHBondContact O-N 3.05Å; D397-H399 PolarHBondContact O-CE1 3.35Å; D397-H399 PolarHBondContact O-N 3.46Å; D397-H399 PolarHBondContact O-ND1 3.35Å; H399-Y401 HydrophobicContact CB-CD2 4.45Å; H399-Y401 HydrophobicContact CB-CE2 3.74Å; H399-R417 HydrophobicContact CB-CG 3.77Å; H399-Y418 WeakPolarHBondContact CA-O 3.41Å; H399-Y418 WeakPolarHBondContact CB-O 3.37Å
400	I	98.7	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.6	176.4	-61.3	164.9	0	0	0	108.5	A344 Y351 I353 V393 C394 V395 R417 Y418 W425	A344-I400 HydrophobicContact CB-CG2 4.32Å; Y351-I400 HydrophobicContact CD1-CD1 3.31Å; Y351-I400 HydrophobicContact CD2-CD1 3.61Å; Y351-I400 HydrophobicContact CE1-CD1 3.51Å; Y351-I400 HydrophobicContact CE2-CD1 3.84Å; Y351-I400 HydrophobicContact CG-CD1 3.33Å; I353-I400 HydrophobicContact CG1-CG2 4.41Å; V393-I400 HydrophobicContact CG1-CG2 3.5Å; V393-I400 VanDerWaalsContact CG1-CG2 3.5Å; C394-I400 CarbonylContact O-C 3.59Å; C394-I400 WeakPolarHBondContact O-CA 3.34Å; V395-I400 HydrophobicContact CG2-CG1 4.17Å; I400-R417 CarbonylContact O-C 3.59Å; I400-R417 WeakPolarHBondContact O-CA 3.35Å; I400-Y418 HydrophobicContact CB-CD1 4.37Å; I400-Y418 HydrophobicContact CD1-CD1 3.99Å; I400-Y418 HydrophobicContact CD1-CE1 4.48Å; I400-Y418 HydrophobicContact CG1-CD1 4.49Å; I400-Y418 PolarHBondContact N-O 3.2Å; I400-Y418 VanDerWaalsContact N-O 3.14Å; I400-Y418 PolarHBondContact O-N 3.49Å; I400-W425 HydrophobicContact CG2-CH2 4.29Å
401	Y	98.8	Very high	96.6	Very high	2 Å²	2	37 Å²	37	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.8	-177.8	-66.5	-102	0	0	0	110.1	V393 C394 L396 H399 V415 E416 R417 V428 M447 Y465	V393-Y401 WeakPolarHBondContact CA-O 3.38Å; C394-Y401 PolarHBondContact N-O 3.21Å; C394-Y401 PolarHBondContact O-N 2.81Å; L396-Y401 HydrophobicContact CB-CD2 4.28Å; L396-Y401 HydrophobicContact CB-CE2 3.9Å; H399-Y401 HydrophobicContact CB-CD2 4.45Å; H399-Y401 HydrophobicContact CB-CE2 3.74Å; Y401-V415 HydrophobicContact CD1-CG1 4.28Å; Y401-E416 CarbonylContact C-O 3.58Å; Y401-E416 VanDerWaalsContact CA-O 3.28Å; Y401-E416 WeakPolarHBondContact CA-O 3.47Å; Y401-R417 HydrophobicContact CD1-CB 3.93Å; Y401-R417 HydrophobicContact CD1-CG 4.1Å; Y401-R417 HydrophobicContact CE1-CB 3.79Å; Y401-R417 HydrophobicContact CE1-CG 3.67Å; Y401-R417 HydrophobicContact CE2-CG 4.2Å; Y401-R417 VanDerWaalsContact CZ-CD 3.42Å; Y401-R417 WeakPolarHBondContact OH-CD 3.26Å; Y401-V428 HydrophobicContact CD1-CG2 4.19Å; Y401-V428 HydrophobicContact CE1-CG2 4.18Å; Y401-M447 HydrophobicContact CD1-CE 3.55Å; Y401-M447 HydrophobicContact CD1-SD 4.44Å; Y401-M447 HydrophobicContact CD2-CE 3.88Å; Y401-M447 HydrophobicContact CD2-SD 3.82Å; Y401-M447 HydrophobicContact CE1-CE 3.97Å; Y401-M447 HydrophobicContact CE2-CE 4.3Å; Y401-M447 HydrophobicContact CG-CE 3.49Å; Y401-M447 VanDerWaalsContact CG-CE 3.49Å; Y401-M447 HydrophobicContact CG-SD 3.77Å; Y401-Y465 HydrophobicContact CE1-CE1 4.03Å
402	A	98.6	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.2	168.5	0	0	0	0	0	108.8	I353 L384 V393 V415 E416 W425	I353-A402 HydrophobicContact CG2-CB 4.19Å; L384-A402 HydrophobicContact CD2-CB 3.78Å; V393-A402 HydrophobicContact CG2-CB 4.37Å; A402-V415 WeakPolarHBondContact O-CA 3.48Å; A402-E416 PolarHBondContact N-O 2.98Å; A402-E416 PolarHBondContact O-N 3.4Å; A402-W425 HydrophobicContact CB-CH2 4.3Å; A402-W425 HydrophobicContact CB-CZ3 3.99Å
403	I	98.6	Very high	96.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.3	-164.5	-51.2	164.8	0	0	0	109.4	C392 C394 V415 L431 H438 M447 I449 W472	C392-I403 HydrophobicContact CB-CB 4.49Å; C392-I403 PolarHBondContact N-O 3.32Å; C392-I403 PolarHBondContact O-N 3.35Å; C394-I403 HydrophobicContact CB-CD1 4.35Å; I403-V415 HydrophobicContact CG1-CG1 4.01Å; I403-V415 HydrophobicContact CG2-CG2 3.99Å; I403-L431 HydrophobicContact CG2-CD1 4.11Å; I403-L431 HydrophobicContact CG2-CD2 4.42Å; I403-L431 HydrophobicContact CG2-CG 4.46Å; I403-H438 PolarHBondContact O-CE1 2.89Å; I403-H438 PolarHBondContact O-NE2 2.64Å; I403-M447 HydrophobicContact CD1-CE 4.3Å; I403-M447 HydrophobicContact CD1-SD 3.91Å; I403-I449 HydrophobicContact CD1-CG2 4.16Å; I403-I449 HydrophobicContact CG2-CD1 4.29Å; I403-I449 HydrophobicContact CG2-CG2 4.15Å; I403-W472 HydrophobicContact CD1-CH2 4.24Å; I403-W472 HydrophobicContact CG2-CH2 3.93Å; I403-W472 HydrophobicContact CG2-CZ2 3.9Å
404	G	98.1	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.8	-139.6	175.5	0	0	0	0	0	113.4	H388 H391 L412 C414	H388-G404 PolarHBondContact ND1-O 2.91Å; H391-G404 WeakPolarHBondContact CB-O 3.2Å; G404-L412 WeakPolarHBondContact CA-O 3.33Å; G404-C414 PolarHBondContact N-O 3.14Å
405	G	97.8	Very high	96.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.5	-150.4	-175.4	0	0	0	0	0	111.8	A389 L412 V435 Y436	A389-G405 WeakPolarHBondContact O-CA 3.43Å; G405-L412 WeakPolarHBondContact O-CB 3.34Å; G405-L412 PolarHBondContact O-N 3.11Å; G405-V435 WeakPolarHBondContact CA-O 3.46Å; G405-V435 PolarHBondContact N-O 3.4Å; G405-Y436 VanDerWaalsContact C-CB 3.46Å; G405-Y436 WeakPolarHBondContact O-CB 3.49Å
406	R	96.4	Very high	96.7	Very high	66 Å²	66	38.4 Å²	38.4	25%	0.249	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.3	176.2	71	-172.4	-158.6	159.6	11.4	111.9	F362 A389 D390 N410 Y436	F362-R406 HydrophobicContact CE1-CG 4.25Å; F362-R406 HydrophobicContact CE2-CG 4.41Å; F362-R406 VanDerWaalsContact CG-NH2 3.25Å; F362-R406 HydrophobicContact CZ-CG 3.63Å; A389-R406 PolarHBondContact N-O 3.31Å; A389-R406 PolarHBondContact O-N 3.46Å; D390-R406 IonicContact OD2-CZ 2.76Å; D390-R406 IonicContact OD2-NE 3.09Å; D390-R406 PolarHBondContact OD2-NE 3.28Å; R406-N410 CarbonylContact C-O 3.56Å; R406-N410 VanDerWaalsContact CA-O 3.27Å; R406-N410 WeakPolarHBondContact CA-O 3.13Å; R406-N410 WeakPolarHBondContact CB-O 3.26Å; R406-Y436 HydrophobicContact CB-CG 4.32Å; R406-Y436 HydrophobicContact CG-CD2 4.42Å; R406-Y436 HydrophobicContact CG-CG 4.44Å
407	D	94.6	Very high	96.7	Very high	14 Å²	14	41.2 Å²	41.2	8%	0.075	21%	0.209	C	C	.	.			trans	-94.7	-165.9	163.9	71.7	36.5	0	0	0	110	F362 Q386 Q387 S409 N410	F362-D407 WeakPolarHBondContact CE1-O 3.45Å; Q386-D407 PolarHBondContact NE2-OD2 3Å; Q387-D407 HydrophobicContact CB-CB 4.1Å; Q387-D407 WeakPolarHBondContact O-CB 3.38Å; D407-S409 PolarHBondContact O-N 2.74Å; D407-S409 WeakPolarHBondContact OD1-CA 3.46Å; D407-S409 PolarHBondContact OD1-N 2.96Å; D407-N410 PolarHBondContact N-O 2.55Å; D407-N410 PolarHBondContact OD1-N 2.73Å; D407-N410 PolarHBondContact OD1-ND2 3.21Å; D407-N410 PolarHBondContact OD2-ND2 2.85Å
408	Y	88.1	Confident	96.9	Very high	182 Å²	182	36.1 Å²	36.1	71%	0.714	18%	0.181	S	C	*	.	S	Bend	trans	-66	-25.3	179.8	-173.1	-100.8	0	0	0	113.9
409	S	90.1	Very high	96.9	Very high	97 Å²	97	36.3 Å²	36.3	68%	0.678	17%	0.174	S	C	*	.	S	Bend	trans	-120.1	-29.2	-169	-57.3	0	0	0	0	113.4	D407	D407-S409 PolarHBondContact O-N 2.74Å; D407-S409 WeakPolarHBondContact OD1-CA 3.46Å; D407-S409 PolarHBondContact OD1-N 2.96Å
410	N	95.3	Very high	96.9	Very high	91 Å²	91	34.5 Å²	34.5	49%	0.487	17%	0.166	S	C	.	.			trans	-131.7	145.9	-167	-49.6	-70	0	0	0	112	R406 D407 L412	R406-N410 CarbonylContact C-O 3.56Å; R406-N410 VanDerWaalsContact CA-O 3.27Å; R406-N410 WeakPolarHBondContact CA-O 3.13Å; R406-N410 WeakPolarHBondContact CB-O 3.26Å; D407-N410 PolarHBondContact N-O 2.55Å; D407-N410 PolarHBondContact OD1-N 2.73Å; D407-N410 PolarHBondContact OD1-ND2 3.21Å; D407-N410 PolarHBondContact OD2-ND2 2.85Å; N410-L412 HydrophobicContact CB-CD2 4.29Å
411	E	97.1	Very high	96.6	Very high	53 Å²	53	39.2 Å²	39.2	25%	0.248	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	140.8	160.2	-60.3	172.3	-174.3	0	0	107.8	E434 Y436 R454 G455	E411-E434 HydrophobicContact CB-CB 3.86Å; E411-E434 HydrophobicContact CB-CG 3.7Å; E411-Y436 HydrophobicContact CB-CD1 4.45Å; E411-Y436 HydrophobicContact CG-CD1 3.74Å; E411-Y436 HydrophobicContact CG-CE1 3.96Å; E411-Y436 WeakPolarHBondContact OE1-CE1 3.37Å; E411-R454 VanDerWaalsContact OE2-CA 3.32Å; E411-R454 WeakPolarHBondContact OE2-CA 3.05Å; E411-G455 VanDerWaalsContact CD-N 3.3Å; E411-G455 VanDerWaalsContact OE1-CA 3.23Å; E411-G455 WeakPolarHBondContact OE1-CA 3.39Å; E411-G455 PolarHBondContact OE1-N 2.72Å; E411-G455 PolarHBondContact OE2-N 3.35Å
412	L	97.9	Very high	96.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.8	-168.2	-55.7	178.3	0	0	0	112	Q386 Q387 G404 G405 N410 E434 V435	Q386-L412 HydrophobicContact CG-CD1 4.4Å; Q387-L412 WeakPolarHBondContact O-CD1 3.41Å; G404-L412 WeakPolarHBondContact CA-O 3.33Å; G405-L412 WeakPolarHBondContact O-CB 3.34Å; G405-L412 PolarHBondContact O-N 3.11Å; N410-L412 HydrophobicContact CB-CD2 4.29Å; L412-E434 WeakPolarHBondContact O-CA 3.26Å; L412-V435 PolarHBondContact O-N 3.02Å; L412-V435 VanDerWaalsContact O-N 3.17Å
413	E	97.6	Very high	96.4	Very high	92 Å²	92	44.4 Å²	44.4	43%	0.43	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-13	166.5	73.1	-83.8	-161.1	0	0	113	A430 L431	E413-A430 HydrophobicContact CG-CB 4.22Å; E413-A430 WeakPolarHBondContact O-CA 3.11Å; E413-A430 WeakPolarHBondContact O-CB 3.42Å; E413-L431 HydrophobicContact CB-CB 4.25Å; E413-L431 PolarHBondContact O-N 3.15Å
414	C	98.1	Very high	96.4	Very high	16 Å²	16	47.3 Å²	47.3	11%	0.108	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	150.5	-174.5	64.1	0	0	0	0	112.3	G404 Y427	G404-C414 PolarHBondContact N-O 3.14Å; C414-Y427 HydrophobicContact CB-CD1 4.21Å; C414-Y427 HydrophobicContact CB-CE1 4Å
415	V	98.6	Very high	96.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.9	174.5	-175	0	0	0	0	108	Y401 A402 I403 Y427 V428 L431 W472	Y401-V415 HydrophobicContact CD1-CG1 4.28Å; A402-V415 WeakPolarHBondContact O-CA 3.48Å; I403-V415 HydrophobicContact CG1-CG1 4.01Å; I403-V415 HydrophobicContact CG2-CG2 3.99Å; V415-Y427 WeakPolarHBondContact O-CA 3.39Å; V415-V428 HydrophobicContact CB-CG2 3.78Å; V415-V428 HydrophobicContact CG1-CG2 3.52Å; V415-V428 PolarHBondContact O-N 3.06Å; V415-L431 HydrophobicContact CG2-CG 4.23Å; V415-W472 HydrophobicContact CG2-CZ2 4.08Å
416	E	98.6	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.8	176.9	-59.9	-161.6	-124.1	0	0	109.9	L384 Q385 Q386 H388 Y401 A402 W425 E426 Y427	L384-E416 HydrophobicContact CD2-CB 4.21Å; Q385-E416 VanDerWaalsContact CB-OE2 3.25Å; Q385-E416 WeakPolarHBondContact CB-OE2 3.33Å; Q385-E416 WeakPolarHBondContact CG-OE2 3.17Å; Q385-E416 PolarHBondContact N-OE1 3Å; Q385-E416 VanDerWaalsContact N-OE1 3.12Å; Q385-E416 PolarHBondContact N-OE2 2.99Å; Q385-E416 PolarHBondContact NE2-OE2 3.04Å; Q386-E416 PolarHBondContact N-OE1 3.44Å; Q386-E416 VanDerWaalsContact N-OE1 3.08Å; H388-E416 IonicContact NE2-OE1 3.52Å; Y401-E416 CarbonylContact C-O 3.58Å; Y401-E416 VanDerWaalsContact CA-O 3.28Å; Y401-E416 WeakPolarHBondContact CA-O 3.47Å; A402-E416 PolarHBondContact N-O 2.98Å; A402-E416 PolarHBondContact O-N 3.4Å; E416-W425 HydrophobicContact CB-CD2 4.49Å; E416-W425 HydrophobicContact CB-CE3 3.61Å; E416-W425 HydrophobicContact CB-CZ3 4.16Å; E416-E426 CarbonylContact C-O 3.59Å; E416-E426 WeakPolarHBondContact CA-O 3.05Å; E416-Y427 HydrophobicContact CG-CD1 3.81Å; E416-Y427 HydrophobicContact CG-CE1 3.57Å
417	R	98.6	Very high	96.6	Very high	67 Å²	67	54.1 Å²	54.1	25%	0.253	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.3	173.8	-178.4	179.2	75.7	166.8	0.5	109.9	H399 I400 Y401 W425 E426 V428	H399-R417 HydrophobicContact CB-CG 3.77Å; I400-R417 CarbonylContact O-C 3.59Å; I400-R417 WeakPolarHBondContact O-CA 3.35Å; Y401-R417 HydrophobicContact CD1-CB 3.93Å; Y401-R417 HydrophobicContact CD1-CG 4.1Å; Y401-R417 HydrophobicContact CE1-CB 3.79Å; Y401-R417 HydrophobicContact CE1-CG 3.67Å; Y401-R417 HydrophobicContact CE2-CG 4.2Å; Y401-R417 VanDerWaalsContact CZ-CD 3.42Å; Y401-R417 WeakPolarHBondContact OH-CD 3.26Å; R417-W425 CarbonylContact O-C 3.53Å; R417-W425 WeakPolarHBondContact O-CA 3.45Å; R417-E426 HydrophobicContact CB-CG 4.31Å; R417-E426 IonicContact CZ-OE1 3.4Å; R417-E426 PolarHBondContact N-O 2.9Å; R417-E426 IonicContact NE-OE1 2.82Å; R417-E426 PolarHBondContact NE-OE1 2.94Å; R417-E426 IonicContact NH2-OE1 2.78Å; R417-E426 PolarHBondContact NH2-OE1 3.47Å; R417-E426 PolarHBondContact O-N 2.77Å; R417-V428 HydrophobicContact CB-CG1 3.65Å
418	Y	98.7	Very high	96.7	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.2	172.1	177.4	-104.2	0	0	0	110.8	Y351 I381 K382 H399 I400 P420 N423 T424 W425	Y351-Y418 HydrophobicContact CE1-CE1 4.2Å; I381-Y418 HydrophobicContact CD1-CD1 4.47Å; I381-Y418 HydrophobicContact CD1-CD2 4.44Å; I381-Y418 HydrophobicContact CD1-CE1 4.02Å; I381-Y418 HydrophobicContact CD1-CE2 4Å; K382-Y418 HydrophobicContact CB-CE2 4.31Å; H399-Y418 WeakPolarHBondContact CA-O 3.41Å; H399-Y418 WeakPolarHBondContact CB-O 3.37Å; I400-Y418 HydrophobicContact CB-CD1 4.37Å; I400-Y418 HydrophobicContact CD1-CD1 3.99Å; I400-Y418 HydrophobicContact CD1-CE1 4.48Å; I400-Y418 HydrophobicContact CG1-CD1 4.49Å; I400-Y418 PolarHBondContact N-O 3.2Å; I400-Y418 VanDerWaalsContact N-O 3.14Å; I400-Y418 PolarHBondContact O-N 3.49Å; Y418-P420 HydrophobicContact CD1-CG 4Å; Y418-P420 VanDerWaalsContact CE1-CA 3.49Å; Y418-P420 HydrophobicContact CE1-CB 3.93Å; Y418-P420 HydrophobicContact CE1-CG 3.83Å; Y418-N423 WeakPolarHBondContact CE2-OD1 3.31Å; Y418-N423 PolarHBondContact OH-OD1 3.43Å; Y418-T424 WeakPolarHBondContact CA-O 3.43Å; Y418-W425 HydrophobicContact CD2-CD2 4.09Å; Y418-W425 AromaticContact CD2-CE2 3.72Å; Y418-W425 HydrophobicContact CD2-CG 4.27Å; Y418-W425 HydrophobicContact CD2-CZ2 4.14Å; Y418-W425 AromaticContact CD2-NE1 3.66Å; Y418-W425 HydrophobicContact CG-CD2 4.35Å; Y418-W425 HydrophobicContact CG-CH2 4.41Å; Y418-W425 HydrophobicContact CG-CZ2 4.07Å
419	D	97.4	Very high	97.2	Very high	37 Å²	37	47 Å²	47	20%	0.198	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.4	168.2	-179.2	-6.1	0	0	0	109.6	H421 T422 N423 T424	D419-H421 PolarHBondContact O-N 3.03Å; D419-H421 WeakPolarHBondContact OD1-CA 3.07Å; D419-H421 WeakPolarHBondContact OD1-CB 3.47Å; D419-H421 PolarHBondContact OD1-N 2.87Å; D419-T422 WeakPolarHBondContact CB-OG1 3.16Å; D419-T422 PolarHBondContact O-N 3.41Å; D419-N423 WeakPolarHBondContact O-CA 3.25Å; D419-N423 PolarHBondContact O-N 3.45Å; D419-T424 PolarHBondContact N-O 2.6Å
420	P	96.3	Very high	97.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.7	175.8	-19.8	31	0	0	0	114.5	I283 L346 Y418	I283-P420 HydrophobicContact CG2-CB 3.86Å; I283-P420 HydrophobicContact CG2-CG 4.22Å; L346-P420 HydrophobicContact CD2-CG 3.66Å; Y418-P420 HydrophobicContact CD1-CG 4Å; Y418-P420 VanDerWaalsContact CE1-CA 3.49Å; Y418-P420 HydrophobicContact CE1-CB 3.93Å; Y418-P420 HydrophobicContact CE1-CG 3.83Å
421	H	94.1	Very high	97.7	Very high	99 Å²	99	40.8 Å²	40.8	46%	0.458	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.8	179.2	-168.1	72.6	0	0	0	111.5	W280 I283 D419	W280-H421 PolarHBondContact NE1-O 3.49Å; I283-H421 HydrophobicContact CD1-CB 3.81Å; D419-H421 PolarHBondContact O-N 3.03Å; D419-H421 WeakPolarHBondContact OD1-CA 3.07Å; D419-H421 WeakPolarHBondContact OD1-CB 3.47Å; D419-H421 PolarHBondContact OD1-N 2.87Å
422	T	95.9	Very high	97.6	Very high	73 Å²	73	45.6 Å²	45.6	45%	0.448	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-13.5	-179.6	59.4	0	0	0	0	113.2	D419 T424	D419-T422 WeakPolarHBondContact CB-OG1 3.16Å; D419-T422 PolarHBondContact O-N 3.41Å; T422-T424 VanDerWaalsContact C-N 3.33Å; T422-T424 PolarHBondContact OG1-OG1 2.81Å
423	N	96.9	Very high	97.5	Very high	38 Å²	38	51.1 Å²	51.1	20%	0.203	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	50.2	-170.9	-176.1	33.1	0	0	0	111.1	L279 K382 Y418 D419	L279-N423 HydrophobicContact CD1-CB 4.12Å; K382-N423 WeakPolarHBondContact CB-O 3.1Å; K382-N423 WeakPolarHBondContact CB-OD1 3.41Å; K382-N423 PolarHBondContact N-OD1 2.85Å; Y418-N423 WeakPolarHBondContact CE2-OD1 3.31Å; Y418-N423 PolarHBondContact OH-OD1 3.43Å; D419-N423 WeakPolarHBondContact O-CA 3.25Å; D419-N423 PolarHBondContact O-N 3.45Å
424	T	97.9	Very high	97.6	Very high	62 Å²	62	49.4 Å²	49.4	38%	0.38	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.6	179.5	58.1	0	0	0	0	111.8	Y418 D419 T422	Y418-T424 WeakPolarHBondContact CA-O 3.43Å; D419-T424 PolarHBondContact N-O 2.6Å; T422-T424 VanDerWaalsContact C-N 3.33Å; T422-T424 PolarHBondContact OG1-OG1 2.81Å
425	W	98.7	Very high	97.6	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.8	166.6	-65.6	92.3	0	0	0	110.1	I353 K382 L384 Q385 I400 A402 E416 R417 Y418	I353-W425 HydrophobicContact CD1-CH2 4.24Å; I353-W425 HydrophobicContact CD1-CZ2 3.96Å; I353-W425 HydrophobicContact CG1-CH2 4.34Å; I353-W425 HydrophobicContact CG2-CH2 3.77Å; I353-W425 HydrophobicContact CG2-CZ2 3.99Å; K382-W425 PolarHBondContact O-NE1 2.87Å; L384-W425 HydrophobicContact CD2-CD2 3.83Å; L384-W425 HydrophobicContact CD2-CE3 3.77Å; L384-W425 HydrophobicContact CD2-CH2 3.79Å; L384-W425 HydrophobicContact CD2-CZ2 3.85Å; L384-W425 HydrophobicContact CD2-CZ3 3.75Å; L384-W425 HydrophobicContact CG-CZ2 4.43Å; Q385-W425 HydrophobicContact CG-CB 4.42Å; I400-W425 HydrophobicContact CG2-CH2 4.29Å; A402-W425 HydrophobicContact CB-CH2 4.3Å; A402-W425 HydrophobicContact CB-CZ3 3.99Å; E416-W425 HydrophobicContact CB-CD2 4.49Å; E416-W425 HydrophobicContact CB-CE3 3.61Å; E416-W425 HydrophobicContact CB-CZ3 4.16Å; R417-W425 CarbonylContact O-C 3.53Å; R417-W425 WeakPolarHBondContact O-CA 3.45Å; Y418-W425 HydrophobicContact CD2-CD2 4.09Å; Y418-W425 AromaticContact CD2-CE2 3.72Å; Y418-W425 HydrophobicContact CD2-CG 4.27Å; Y418-W425 HydrophobicContact CD2-CZ2 4.14Å; Y418-W425 AromaticContact CD2-NE1 3.66Å; Y418-W425 HydrophobicContact CG-CD2 4.35Å; Y418-W425 HydrophobicContact CG-CH2 4.41Å; Y418-W425 HydrophobicContact CG-CZ2 4.07Å
426	E	98.4	Very high	97.5	Very high	80 Å²	80	49.5 Å²	49.5	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.8	169.5	73.2	-169.3	143.1	0	0	110.4	E416 R417	E416-E426 CarbonylContact C-O 3.59Å; E416-E426 WeakPolarHBondContact CA-O 3.05Å; R417-E426 HydrophobicContact CB-CG 4.31Å; R417-E426 IonicContact CZ-OE1 3.4Å; R417-E426 PolarHBondContact N-O 2.9Å; R417-E426 IonicContact NE-OE1 2.82Å; R417-E426 PolarHBondContact NE-OE1 2.94Å; R417-E426 IonicContact NH2-OE1 2.78Å; R417-E426 PolarHBondContact NH2-OE1 3.47Å; R417-E426 PolarHBondContact O-N 2.77Å
427	Y	98.6	Very high	97.5	Very high	111 Å²	111	49.6 Å²	49.6	44%	0.435	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.3	173.7	-67.9	-73.9	0	0	0	110.8	Q385 C414 V415 E416	Q385-Y427 HydrophobicContact CB-CE2 4.15Å; Q385-Y427 WeakPolarHBondContact CB-OH 3.17Å; Q385-Y427 HydrophobicContact CG-CE2 4.49Å; C414-Y427 HydrophobicContact CB-CD1 4.21Å; C414-Y427 HydrophobicContact CB-CE1 4Å; V415-Y427 WeakPolarHBondContact O-CA 3.39Å; E416-Y427 HydrophobicContact CG-CD1 3.81Å; E416-Y427 HydrophobicContact CG-CE1 3.57Å
428	V	98.4	Very high	97.5	Very high	20 Å²	20	47 Å²	47	12%	0.121	23%	0.234	C	C	.	.			trans	-109.1	-169.7	169.8	-62	0	0	0	0	109.5	Y401 V415 R417 A430	Y401-V428 HydrophobicContact CD1-CG2 4.19Å; Y401-V428 HydrophobicContact CE1-CG2 4.18Å; V415-V428 HydrophobicContact CB-CG2 3.78Å; V415-V428 HydrophobicContact CG1-CG2 3.52Å; V415-V428 PolarHBondContact O-N 3.06Å; R417-V428 HydrophobicContact CB-CG1 3.65Å; V428-A430 PolarHBondContact O-N 3.39Å; V428-A430 VanDerWaalsContact O-N 3.1Å
429	A	98.4	Very high	97.4	Very high	26 Å²	26	47.5 Å²	47.5	22%	0.215	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-58.4	121.8	-180	0	0	0	0	0	111.1	Y465 N470 W472	A429-Y465 HydrophobicContact CB-CE2 4.37Å; A429-N470 WeakPolarHBondContact CB-O 3.47Å; A429-N470 WeakPolarHBondContact CB-OD1 3.38Å; A429-N470 PolarHBondContact N-OD1 3.15Å; A429-W472 PolarHBondContact O-NE1 3.13Å
430	A	98.3	Very high	97.4	Very high	50 Å²	50	46.4 Å²	46.4	41%	0.413	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-67.3	158.5	175.9	0	0	0	0	0	111	E413 V428	E413-A430 HydrophobicContact CG-CB 4.22Å; E413-A430 WeakPolarHBondContact O-CA 3.11Å; E413-A430 WeakPolarHBondContact O-CB 3.42Å; V428-A430 PolarHBondContact O-N 3.39Å; V428-A430 VanDerWaalsContact O-N 3.1Å
431	L	97.9	Very high	97.5	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.042	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-63	152.1	165.8	-61.2	174.5	0	0	0	109.7	I403 E413 V415 R433 V435 I449 W472	I403-L431 HydrophobicContact CG2-CD1 4.11Å; I403-L431 HydrophobicContact CG2-CD2 4.42Å; I403-L431 HydrophobicContact CG2-CG 4.46Å; E413-L431 HydrophobicContact CB-CB 4.25Å; E413-L431 PolarHBondContact O-N 3.15Å; V415-L431 HydrophobicContact CG2-CG 4.23Å; L431-R433 WeakPolarHBondContact CB-O 3.41Å; L431-R433 PolarHBondContact O-N 3.03Å; L431-V435 HydrophobicContact CD1-CG1 3.41Å; L431-V435 VanDerWaalsContact CD1-CG1 3.41Å; L431-I449 HydrophobicContact CD1-CD1 3.76Å; L431-I449 HydrophobicContact CD2-CD1 3.55Å; L431-I449 HydrophobicContact CG-CD1 4.34Å; L431-W472 HydrophobicContact CD2-CD2 3.56Å; L431-W472 VanDerWaalsContact CD2-CE2 3.45Å; L431-W472 HydrophobicContact CD2-CE3 3.89Å; L431-W472 HydrophobicContact CD2-CG 4.07Å; L431-W472 HydrophobicContact CD2-CH2 4Å; L431-W472 HydrophobicContact CD2-CZ2 3.7Å; L431-W472 HydrophobicContact CD2-CZ3 4.09Å
432	K	94.8	Very high	97.7	Very high	153 Å²	153	44.1 Å²	44.1	67%	0.665	23%	0.23	S	C	*	.	S	Bend	trans	-63.6	-28	177.4	-175.3	174.3	172.4	-174.4	0	112.3	E474	K432-E474 IonicContact NZ-OE1 3.69Å; K432-E474 PolarHBondContact NZ-OE1 3.08Å
433	R	96.2	Very high	97.8	Very high	120 Å²	120	41.5 Å²	41.5	45%	0.453	21%	0.213	S	C	.	.	S	Bend	trans	-147.8	153.8	179.6	-64.8	-166	68.3	178.6	4.3	109.9	L431 R454	L431-R433 WeakPolarHBondContact CB-O 3.41Å; L431-R433 PolarHBondContact O-N 3.03Å; R433-R454 VanDerWaalsContact CB-NH2 3.31Å; R433-R454 VanDerWaalsContact CZ-CD 3.42Å
434	E	97.7	Very high	97.7	Very high	56 Å²	56	45.8 Å²	45.8	26%	0.262	24%	0.236	S	C	.	.			trans	-59.7	142.6	175.2	70.7	-70.7	179	0	0	112.2	E411 L412 R454	E411-E434 HydrophobicContact CB-CB 3.86Å; E411-E434 HydrophobicContact CB-CG 3.7Å; L412-E434 WeakPolarHBondContact O-CA 3.26Å; E434-R454 HydrophobicContact CG-CG 4.01Å; E434-R454 PolarHBondContact O-NE 2.87Å; E434-R454 PolarHBondContact O-NH2 3.05Å; E434-R454 WeakPolarHBondContact OE1-CD 3.42Å; E434-R454 VanDerWaalsContact OE1-CG 3.26Å; E434-R454 WeakPolarHBondContact OE1-CG 3.48Å; E434-R454 IonicContact OE1-NE 2.88Å
435	V	98.1	Very high	97.7	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	24%	0.236	C	C	.	.			trans	-157.9	135.8	176.9	62.2	0	0	0	0	111.7	G405 L412 L431 H438 I449 C451 R453 L459	G405-V435 WeakPolarHBondContact CA-O 3.46Å; G405-V435 PolarHBondContact N-O 3.4Å; L412-V435 PolarHBondContact O-N 3.02Å; L412-V435 VanDerWaalsContact O-N 3.17Å; L431-V435 HydrophobicContact CD1-CG1 3.41Å; L431-V435 VanDerWaalsContact CD1-CG1 3.41Å; V435-H438 HydrophobicContact CG2-CB 3.9Å; V435-H438 PolarHBondContact O-ND1 2.97Å; V435-I449 HydrophobicContact CG1-CD1 4.35Å; V435-C451 WeakPolarHBondContact CG2-O 3.18Å; V435-R453 WeakPolarHBondContact CA-O 3.38Å; V435-L459 HydrophobicContact CB-CD1 4.49Å; V435-L459 HydrophobicContact CG2-CD1 3.89Å
436	Y	98.1	Very high	97.6	Very high	14 Å²	14	47.3 Å²	47.3	6%	0.055	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-133.1	167.9	172.7	77.2	-82.7	0	0	0	111.5	D390 G405 R406 E411 H438 G452 R453 W484	D390-Y436 HydrophobicContact CB-CD2 4.2Å; G405-Y436 VanDerWaalsContact C-CB 3.46Å; G405-Y436 WeakPolarHBondContact O-CB 3.49Å; R406-Y436 HydrophobicContact CB-CG 4.32Å; R406-Y436 HydrophobicContact CG-CD2 4.42Å; R406-Y436 HydrophobicContact CG-CG 4.44Å; E411-Y436 HydrophobicContact CB-CD1 4.45Å; E411-Y436 HydrophobicContact CG-CD1 3.74Å; E411-Y436 HydrophobicContact CG-CE1 3.96Å; E411-Y436 WeakPolarHBondContact OE1-CE1 3.37Å; Y436-H438 PolarHBondContact O-N 3.31Å; Y436-H438 VanDerWaalsContact O-N 3.08Å; Y436-G452 CarbonylContact O-C 3.52Å; Y436-G452 WeakPolarHBondContact O-CA 3.21Å; Y436-R453 HydrophobicContact CD1-CB 3.91Å; Y436-R453 WeakPolarHBondContact CD1-O 3.34Å; Y436-R453 HydrophobicContact CD2-CB 4.48Å; Y436-R453 HydrophobicContact CE1-CB 3.42Å; Y436-R453 VanDerWaalsContact CE1-CB 3.42Å; Y436-R453 HydrophobicContact CE2-CB 4.06Å; Y436-R453 HydrophobicContact CG-CB 4.42Å; Y436-R453 PolarHBondContact N-O 3.28Å; Y436-R453 VanDerWaalsContact N-O 3.16Å; Y436-R453 PolarHBondContact O-N 3Å; Y436-R453 PolarHBondContact OH-NE 3.2Å; Y436-W484 HydrophobicContact CE2-CZ2 4.08Å
437	A	97.6	Very high	97.6	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	23%	0.23	C	C	.	.	S	Bend	trans	53.4	27.1	-174.8	0	0	0	0	0	113.3	D390 A483 W484	D390-A437 HydrophobicContact CB-CB 4.32Å; D390-A437 PolarHBondContact O-N 2.91Å; A437-A483 HydrophobicContact CB-CB 3.97Å; A437-A483 CarbonylContact O-C 3.57Å; A437-A483 WeakPolarHBondContact O-CA 3.31Å; A437-W484 HydrophobicContact CB-CD2 3.59Å; A437-W484 VanDerWaalsContact CB-CE2 3.48Å; A437-W484 HydrophobicContact CB-CE3 4.23Å; A437-W484 HydrophobicContact CB-CG 3.77Å; A437-W484 HydrophobicContact CB-CZ2 4.08Å; A437-W484 PolarHBondContact O-N 2.99Å
438	H	98.2	Very high	97.6	Very high	11 Å²	11	38.9 Å²	38.9	5%	0.051	21%	0.212	C	C	.	.			trans	-87.5	172.1	169.2	66	-82.1	0	0	0	109.3	C392 I403 V435 Y436 T450	C392-H438 WeakPolarHBondContact CB-NE2 3.48Å; I403-H438 PolarHBondContact O-CE1 2.89Å; I403-H438 PolarHBondContact O-NE2 2.64Å; V435-H438 HydrophobicContact CG2-CB 3.9Å; V435-H438 PolarHBondContact O-ND1 2.97Å; Y436-H438 PolarHBondContact O-N 3.31Å; Y436-H438 VanDerWaalsContact O-N 3.08Å; H438-T450 WeakPolarHBondContact CB-O 3.44Å
439	A	97.9	Very high	97.6	Very high	12 Å²	12	38 Å²	38	10%	0.099	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	168.4	170.2	0	0	0	0	0	109.2	I449 T450 H485 M487	A439-I449 VanDerWaalsContact O-CA 3.29Å; A439-I449 WeakPolarHBondContact O-CA 3.28Å; A439-T450 PolarHBondContact O-N 2.79Å; A439-H485 WeakPolarHBondContact CB-O 3.21Å; A439-M487 HydrophobicContact CB-CB 3.83Å; A439-M487 HydrophobicContact CB-CG 3.67Å; A439-M487 HydrophobicContact CB-SD 3.79Å
440	G	97.4	Very high	97.6	Very high	14 Å²	14	36.9 Å²	36.9	14%	0.144	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	164.2	177	0	0	0	0	0	112.8	C392 Y448	C392-G440 WeakPolarHBondContact SG-CA 2.97Å; C392-G440 PolarHBondContact SG-N 2.92Å; G440-Y448 CarbonylContact C-O 3.59Å; G440-Y448 WeakPolarHBondContact CA-O 3.47Å
441	A	98	Very high	97.6	Very high	9 Å²	9	34.8 Å²	34.8	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.7	177.7	0	0	0	0	0	110.1	Y448 M487 A489 V494	A441-Y448 PolarHBondContact N-O 3.21Å; A441-Y448 PolarHBondContact O-N 3.43Å; A441-M487 HydrophobicContact CB-CB 4.4Å; A441-M487 HydrophobicContact CB-CE 4.42Å; A441-A489 HydrophobicContact CB-CB 4.07Å; A441-V494 HydrophobicContact CB-CG1 4Å; A441-V494 HydrophobicContact CB-CG2 4.47Å
442	V	98.3	Very high	97.6	Very high	44 Å²	44	34.4 Å²	34.4	27%	0.267	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.5	176.7	-179.4	0	0	0	0	109.3	C394 V395 L396 K446 M447 A489	C394-V442 HydrophobicContact CB-CG2 3.69Å; V395-V442 VanDerWaalsContact O-CG2 3.22Å; V395-V442 WeakPolarHBondContact O-CG2 3.42Å; L396-V442 HydrophobicContact CD1-CG1 3.91Å; V442-K446 WeakPolarHBondContact CA-O 3.47Å; V442-M447 HydrophobicContact CG2-CG 3.85Å; V442-A489 WeakPolarHBondContact O-CB 3.46Å
443	L	97.8	Very high	97.7	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.089	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	134.8	176.3	178.3	63.6	0	0	0	109.5	G445 K446 Y448 A489 G492 V494 P518	L443-G445 VanDerWaalsContact C-N 3.28Å; L443-G445 PolarHBondContact O-N 2.73Å; L443-K446 PolarHBondContact N-O 3.15Å; L443-K446 PolarHBondContact O-N 3.14Å; L443-Y448 HydrophobicContact CB-CD2 4.27Å; L443-Y448 HydrophobicContact CB-CE2 3.96Å; L443-A489 HydrophobicContact CB-CB 4.28Å; L443-G492 WeakPolarHBondContact CD2-O 3.27Å; L443-V494 HydrophobicContact CB-CG2 3.93Å; L443-V494 HydrophobicContact CD2-CG2 3.77Å; L443-P518 HydrophobicContact CD2-CG 3.5Å; L443-P518 HydrophobicContact CG-CG 4.34Å
444	D	95.8	Very high	97.7	Very high	128 Å²	128	23.6 Å²	23.6	68%	0.684	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	43.8	177	-57.7	-27.9	0	0	0	114.2	K446	D444-K446 VanDerWaalsContact C-N 3.27Å; D444-K446 PolarHBondContact O-N 3.1Å
445	G	96.8	Very high	97.5	Very high	37 Å²	37	22.2 Å²	22.2	38%	0.381	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	16.3	178.3	0	0	0	0	0	114.6	L396 L443 P467	L396-G445 VanDerWaalsContact CD1-C 3.49Å; L396-G445 WeakPolarHBondContact CD1-O 2.98Å; L443-G445 VanDerWaalsContact C-N 3.28Å; L443-G445 PolarHBondContact O-N 2.73Å; G445-P467 WeakPolarHBondContact O-CD 3.48Å
446	K	97.9	Very high	97.2	Very high	76 Å²	76	29.9 Å²	29.9	33%	0.33	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.6	177	-59.9	-166.7	-178.2	-167.5	0	111.2	V442 L443 D444 Y448 C464 Y465	V442-K446 WeakPolarHBondContact CA-O 3.47Å; L443-K446 PolarHBondContact N-O 3.15Å; L443-K446 PolarHBondContact O-N 3.14Å; D444-K446 VanDerWaalsContact C-N 3.27Å; D444-K446 PolarHBondContact O-N 3.1Å; K446-Y448 HydrophobicContact CB-CE2 3.91Å; K446-C464 WeakPolarHBondContact CD-SG 3.28Å; K446-Y465 WeakPolarHBondContact CB-O 3.21Å
447	M	98.4	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.7	171.7	-57.9	-174.2	-73.4	0	0	109.7	C394 L396 Y401 I403 V442 C464 Y465	C394-M447 HydrophobicContact CB-CG 4.07Å; C394-M447 HydrophobicContact CB-SD 3.41Å; C394-M447 WeakPolarHBondContact CB-SD 3.49Å; L396-M447 HydrophobicContact CB-CG 4.15Å; L396-M447 HydrophobicContact CB-SD 4.3Å; L396-M447 HydrophobicContact CD2-CE 4.43Å; L396-M447 HydrophobicContact CD2-CG 3.68Å; L396-M447 HydrophobicContact CD2-SD 4.44Å; Y401-M447 HydrophobicContact CD1-CE 3.55Å; Y401-M447 HydrophobicContact CD1-SD 4.44Å; Y401-M447 HydrophobicContact CD2-CE 3.88Å; Y401-M447 HydrophobicContact CD2-SD 3.82Å; Y401-M447 HydrophobicContact CE1-CE 3.97Å; Y401-M447 HydrophobicContact CE2-CE 4.3Å; Y401-M447 HydrophobicContact CG-CE 3.49Å; Y401-M447 VanDerWaalsContact CG-CE 3.49Å; Y401-M447 HydrophobicContact CG-SD 3.77Å; I403-M447 HydrophobicContact CD1-CE 4.3Å; I403-M447 HydrophobicContact CD1-SD 3.91Å; V442-M447 HydrophobicContact CG2-CG 3.85Å; M447-C464 CarbonylContact O-C 3.33Å; M447-C464 VanDerWaalsContact O-CA 3.3Å; M447-C464 WeakPolarHBondContact O-CA 3.48Å; M447-Y465 HydrophobicContact CE-CD1 3.26Å; M447-Y465 HydrophobicContact CE-CE1 3.76Å; M447-Y465 HydrophobicContact CE-CG 3.88Å; M447-Y465 PolarHBondContact N-O 2.9Å; M447-Y465 PolarHBondContact O-N 3.06Å
448	Y	98.5	Very high	97.1	Very high	13 Å²	13	33 Å²	33	5%	0.051	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134	173.9	-61.4	-92.6	0	0	0	108.8	G440 A441 L443 K446 Y463 C464 V494 Y516 P518	G440-Y448 CarbonylContact C-O 3.59Å; G440-Y448 WeakPolarHBondContact CA-O 3.47Å; A441-Y448 PolarHBondContact N-O 3.21Å; A441-Y448 PolarHBondContact O-N 3.43Å; L443-Y448 HydrophobicContact CB-CD2 4.27Å; L443-Y448 HydrophobicContact CB-CE2 3.96Å; K446-Y448 HydrophobicContact CB-CE2 3.91Å; Y448-Y463 CarbonylContact C-O 3.54Å; Y448-Y463 VanDerWaalsContact CA-O 3.29Å; Y448-Y463 WeakPolarHBondContact CA-O 3.4Å; Y448-C464 HydrophobicContact CD1-CB 3.79Å; Y448-C464 HydrophobicContact CE1-CB 3.65Å; Y448-C464 WeakPolarHBondContact CE1-SG 3.44Å; Y448-V494 HydrophobicContact CD2-CG2 4.2Å; Y448-Y516 HydrophobicContact CD1-CD1 4.44Å; Y448-Y516 HydrophobicContact CD1-CE1 4Å; Y448-Y516 HydrophobicContact CE1-CD1 4.46Å; Y448-Y516 AromaticContact CE1-CE1 3.73Å; Y448-Y516 HydrophobicContact CE1-CE1 3.73Å; Y448-P518 HydrophobicContact CE2-CG 4.48Å; Y448-P518 WeakPolarHBondContact OH-CB 3.46Å
449	I	98.3	Very high	97.1	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.1	167.7	64.2	167.5	0	0	0	109.9	I403 L431 V435 A439 T462 Y463 W472	I403-I449 HydrophobicContact CD1-CG2 4.16Å; I403-I449 HydrophobicContact CG2-CD1 4.29Å; I403-I449 HydrophobicContact CG2-CG2 4.15Å; L431-I449 HydrophobicContact CD1-CD1 3.76Å; L431-I449 HydrophobicContact CD2-CD1 3.55Å; L431-I449 HydrophobicContact CG-CD1 4.34Å; V435-I449 HydrophobicContact CG1-CD1 4.35Å; A439-I449 VanDerWaalsContact O-CA 3.29Å; A439-I449 WeakPolarHBondContact O-CA 3.28Å; I449-T462 WeakPolarHBondContact O-CA 3.46Å; I449-Y463 HydrophobicContact CD1-CD2 4.24Å; I449-Y463 HydrophobicContact CG1-CD2 4.24Å; I449-Y463 PolarHBondContact N-O 3.22Å; I449-Y463 PolarHBondContact O-N 3.42Å; I449-W472 HydrophobicContact CD1-CH2 4.37Å; I449-W472 HydrophobicContact CD1-CZ3 4.23Å; I449-W472 HydrophobicContact CG1-CH2 4.35Å; I449-W472 HydrophobicContact CG1-CZ3 3.91Å; I449-W472 HydrophobicContact CG2-CH2 4.18Å; I449-W472 HydrophobicContact CG2-CZ3 4.38Å
450	T	98.1	Very high	97	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.6	-179	68.1	0	0	0	0	112.6	H438 A439 E461 T462 H485 M487 V496 W523	H438-T450 WeakPolarHBondContact CB-O 3.44Å; A439-T450 PolarHBondContact O-N 2.79Å; T450-E461 CarbonylContact C-O 3.57Å; T450-E461 WeakPolarHBondContact CA-O 3.47Å; T450-T462 HydrophobicContact CG2-CG2 3.81Å; T450-H485 PolarHBondContact O-CE1 3.04Å; T450-H485 PolarHBondContact O-NE2 2.83Å; T450-H485 PolarHBondContact OG1-NE2 3.23Å; T450-M487 HydrophobicContact CG2-CE 3.53Å; T450-M487 HydrophobicContact CG2-SD 3.79Å; T450-M487 PolarHBondContact OG1-SD 3.1Å; T450-V496 HydrophobicContact CG2-CG2 4.05Å; T450-V496 WeakPolarHBondContact OG1-CG2 3.48Å; T450-W523 HydrophobicContact CG2-CH2 3.77Å; T450-W523 HydrophobicContact CG2-CZ2 3.68Å
451	C	97.9	Very high	97.1	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.034	21%	0.207	C	C	.	.			trans	55.3	-139.5	168.4	-53.2	0	0	0	0	112.1	V435 L459 E461 R482	V435-C451 WeakPolarHBondContact CG2-O 3.18Å; C451-L459 WeakPolarHBondContact CA-O 3.48Å; C451-L459 WeakPolarHBondContact CB-O 3.39Å; C451-L459 PolarHBondContact SG-O 3.12Å; C451-E461 PolarHBondContact N-O 2.88Å; C451-R482 HydrophobicContact CB-CG 3.78Å; C451-R482 WeakPolarHBondContact CB-O 3.33Å
452	G	97.9	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.			trans	97	-159.1	-175.3	0	0	0	0	0	112.7	Y436 L459 R482	Y436-G452 CarbonylContact O-C 3.52Å; Y436-G452 WeakPolarHBondContact O-CA 3.21Å; G452-L459 PolarHBondContact O-N 2.98Å; G452-R482 WeakPolarHBondContact CA-O 3.46Å; G452-R482 PolarHBondContact N-O 2.71Å
453	R	97.1	Very high	97.1	Very high	25 Å²	25	36.6 Å²	36.6	9%	0.094	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.9	-175.7	-70.3	-174.4	62.3	112	7.5	112.6	V435 Y436 G455 A457 Y458 A483 W484	V435-R453 WeakPolarHBondContact CA-O 3.38Å; Y436-R453 HydrophobicContact CD1-CB 3.91Å; Y436-R453 WeakPolarHBondContact CD1-O 3.34Å; Y436-R453 HydrophobicContact CD2-CB 4.48Å; Y436-R453 HydrophobicContact CE1-CB 3.42Å; Y436-R453 VanDerWaalsContact CE1-CB 3.42Å; Y436-R453 HydrophobicContact CE2-CB 4.06Å; Y436-R453 HydrophobicContact CG-CB 4.42Å; Y436-R453 PolarHBondContact N-O 3.28Å; Y436-R453 VanDerWaalsContact N-O 3.16Å; Y436-R453 PolarHBondContact O-N 3Å; Y436-R453 PolarHBondContact OH-NE 3.2Å; R453-G455 PolarHBondContact NH2-O 2.83Å; R453-A457 VanDerWaalsContact CA-O 3.31Å; R453-A457 WeakPolarHBondContact CA-O 3.16Å; R453-Y458 HydrophobicContact CG-CD1 4.17Å; R453-Y458 HydrophobicContact CG-CE1 4.31Å; R453-Y458 VanDerWaalsContact NH1-CE2 3.26Å; R453-Y458 PolarHBondContact NH1-OH 2.9Å; R453-Y458 VanDerWaalsContact NH1-OH 3.09Å; R453-A483 HydrophobicContact CG-CB 3.5Å; R453-W484 HydrophobicContact CG-CZ3 4.39Å
454	R	95.9	Very high	97.1	Very high	22 Å²	22	36.3 Å²	36.3	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	109.8	169	-169.7	-180	-60.1	133.2	0.4	109.1	E411 R433 E434 M456 A457 L459 E461	E411-R454 VanDerWaalsContact OE2-CA 3.32Å; E411-R454 WeakPolarHBondContact OE2-CA 3.05Å; R433-R454 VanDerWaalsContact CB-NH2 3.31Å; R433-R454 VanDerWaalsContact CZ-CD 3.42Å; E434-R454 HydrophobicContact CG-CG 4.01Å; E434-R454 PolarHBondContact O-NE 2.87Å; E434-R454 PolarHBondContact O-NH2 3.05Å; E434-R454 WeakPolarHBondContact OE1-CD 3.42Å; E434-R454 VanDerWaalsContact OE1-CG 3.26Å; E434-R454 WeakPolarHBondContact OE1-CG 3.48Å; E434-R454 IonicContact OE1-NE 2.88Å; R454-M456 PolarHBondContact O-N 3.27Å; R454-A457 PolarHBondContact N-O 2.64Å; R454-A457 VanDerWaalsContact N-O 3.13Å; R454-A457 PolarHBondContact O-N 2.83Å; R454-L459 HydrophobicContact CB-CD1 4.14Å; R454-L459 HydrophobicContact CB-CD2 4.21Å; R454-E461 IonicContact CZ-OE1 2.9Å; R454-E461 IonicContact CZ-OE2 3.35Å; R454-E461 IonicContact NH1-OE1 3.97Å; R454-E461 PolarHBondContact NH1-OE1 3.35Å; R454-E461 IonicContact NH1-OE2 3.85Å; R454-E461 IonicContact NH2-OE1 3.93Å; R454-E461 IonicContact NH2-OE2 3.51Å; R454-E461 PolarHBondContact NH2-OE2 3.1Å
455	G	93.8	Very high	97.2	Very high	27 Å²	27	30.4 Å²	30.4	28%	0.278	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-117	-165.9	0	0	0	0	0	112.5	E411 R453	E411-G455 VanDerWaalsContact CD-N 3.3Å; E411-G455 VanDerWaalsContact OE1-CA 3.23Å; E411-G455 WeakPolarHBondContact OE1-CA 3.39Å; E411-G455 PolarHBondContact OE1-N 2.72Å; E411-G455 PolarHBondContact OE2-N 3.35Å; R453-G455 PolarHBondContact NH2-O 2.83Å
456	M	92	Very high	97.2	Very high	165 Å²	165	30.1 Å²	30.1	81%	0.813	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.8	179.3	-62.8	-58.4	129.1	0	0	113.9	R454	R454-M456 PolarHBondContact O-N 3.27Å
457	A	95.4	Very high	97	Very high	51 Å²	51	27.8 Å²	27.8	42%	0.421	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.3	-175.2	0	0	0	0	0	112.1	R453 R454 L459	R453-A457 VanDerWaalsContact CA-O 3.31Å; R453-A457 WeakPolarHBondContact CA-O 3.16Å; R454-A457 PolarHBondContact N-O 2.64Å; R454-A457 VanDerWaalsContact N-O 3.13Å; R454-A457 PolarHBondContact O-N 2.83Å; A457-L459 HydrophobicContact CB-CD2 4.45Å
458	Y	97.6	Very high	96.9	Very high	31 Å²	31	35.7 Å²	35.7	12%	0.122	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	143.7	159.6	-69	-93.2	0	0	0	108.7	R453 A483 W484 S500 D502	R453-Y458 HydrophobicContact CG-CD1 4.17Å; R453-Y458 HydrophobicContact CG-CE1 4.31Å; R453-Y458 VanDerWaalsContact NH1-CE2 3.26Å; R453-Y458 PolarHBondContact NH1-OH 2.9Å; R453-Y458 VanDerWaalsContact NH1-OH 3.09Å; Y458-A483 HydrophobicContact CD1-CB 3.74Å; Y458-A483 HydrophobicContact CE1-CB 3.81Å; Y458-W484 HydrophobicContact CE1-CE3 4.46Å; Y458-W484 HydrophobicContact CE1-CZ3 4.08Å; Y458-S500 WeakPolarHBondContact CD1-O 3.3Å; Y458-S500 WeakPolarHBondContact CE1-O 3.43Å; Y458-D502 HydrophobicContact CD2-CB 3.89Å; Y458-D502 HydrophobicContact CE2-CB 3.69Å
459	L	97.7	Very high	96.7	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.073	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-110.9	154.1	-171.1	-54.9	177.6	0	0	0	112.2	V435 C451 G452 R454 A457 E481 R482	V435-L459 HydrophobicContact CB-CD1 4.49Å; V435-L459 HydrophobicContact CG2-CD1 3.89Å; C451-L459 WeakPolarHBondContact CA-O 3.48Å; C451-L459 WeakPolarHBondContact CB-O 3.39Å; C451-L459 PolarHBondContact SG-O 3.12Å; G452-L459 PolarHBondContact O-N 2.98Å; R454-L459 HydrophobicContact CB-CD1 4.14Å; R454-L459 HydrophobicContact CB-CD2 4.21Å; A457-L459 HydrophobicContact CB-CD2 4.45Å; L459-E481 VanDerWaalsContact O-CA 3.26Å; L459-E481 WeakPolarHBondContact O-CA 3.41Å; L459-R482 PolarHBondContact O-N 3.46Å
460	R	97.4	Very high	96.7	Very high	85 Å²	85	43.8 Å²	43.8	32%	0.321	22%	0.223	S	C	.	.			trans	-111	-3.8	168.4	-66.9	176	60.1	-120	-10.7	113	E477 G478 E481	R460-E477 HydrophobicContact CB-CB 4.15Å; R460-E477 IonicContact CZ-OE2 3.35Å; R460-E477 IonicContact NH1-OE2 2.83Å; R460-E477 PolarHBondContact NH1-OE2 2.82Å; R460-E477 IonicContact NH2-OE2 2.79Å; R460-E477 CarbonylContact O-C 3.5Å; R460-E477 WeakPolarHBondContact O-CA 3.45Å; R460-G478 PolarHBondContact NE-O 2.77Å; R460-G478 PolarHBondContact NH2-O 3.5Å; R460-G478 PolarHBondContact O-N 3.04Å; R460-E481 WeakPolarHBondContact CD-OE2 3.5Å; R460-E481 HydrophobicContact CG-CB 3.8Å; R460-E481 VanDerWaalsContact CG-N 3.3Å
461	E	97.8	Very high	96.7	Very high	42 Å²	42	49.8 Å²	49.8	20%	0.196	25%	0.25	C	S	.	.			trans	-57.9	140	-174.4	-60.4	172.2	-166.8	0	0	110.5	T450 C451 R454 Y463	T450-E461 CarbonylContact C-O 3.57Å; T450-E461 WeakPolarHBondContact CA-O 3.47Å; C451-E461 PolarHBondContact N-O 2.88Å; R454-E461 IonicContact CZ-OE1 2.9Å; R454-E461 IonicContact CZ-OE2 3.35Å; R454-E461 IonicContact NH1-OE1 3.97Å; R454-E461 PolarHBondContact NH1-OE1 3.35Å; R454-E461 IonicContact NH1-OE2 3.85Å; R454-E461 IonicContact NH2-OE1 3.93Å; R454-E461 IonicContact NH2-OE2 3.51Å; R454-E461 PolarHBondContact NH2-OE2 3.1Å; E461-Y463 HydrophobicContact CB-CD2 4.39Å; E461-Y463 HydrophobicContact CB-CE2 3.63Å; E461-Y463 HydrophobicContact CG-CE2 4.45Å; E461-Y463 WeakPolarHBondContact OE2-CE2 3.47Å; E461-Y463 PolarHBondContact OE2-OH 3.33Å
462	T	98.1	Very high	96.7	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131	172	-61.1	0	0	0	0	108.1	I449 T450 C475 A476 W523	I449-T462 WeakPolarHBondContact O-CA 3.46Å; T450-T462 HydrophobicContact CG2-CG2 3.81Å; T462-C475 HydrophobicContact CG2-CB 3.84Å; T462-C475 PolarHBondContact O-N 2.75Å; T462-A476 WeakPolarHBondContact CB-O 3.47Å; T462-A476 PolarHBondContact OG1-O 2.64Å; T462-W523 HydrophobicContact CG2-CZ2 4.21Å
463	Y	98.1	Very high	96.7	Very high	22 Å²	22	54.2 Å²	54.2	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.4	178.6	-60.8	-84.8	0	0	0	110.8	Y448 I449 E461 A473 E474	Y448-Y463 CarbonylContact C-O 3.54Å; Y448-Y463 VanDerWaalsContact CA-O 3.29Å; Y448-Y463 WeakPolarHBondContact CA-O 3.4Å; I449-Y463 HydrophobicContact CD1-CD2 4.24Å; I449-Y463 HydrophobicContact CG1-CD2 4.24Å; I449-Y463 PolarHBondContact N-O 3.22Å; I449-Y463 PolarHBondContact O-N 3.42Å; E461-Y463 HydrophobicContact CB-CD2 4.39Å; E461-Y463 HydrophobicContact CB-CE2 3.63Å; E461-Y463 HydrophobicContact CG-CE2 4.45Å; E461-Y463 WeakPolarHBondContact OE2-CE2 3.47Å; E461-Y463 PolarHBondContact OE2-OH 3.33Å; Y463-A473 CarbonylContact C-O 3.16Å; Y463-A473 VanDerWaalsContact CA-O 3.32Å; Y463-A473 WeakPolarHBondContact CA-O 3.32Å; Y463-E474 HydrophobicContact CD1-CG 3.89Å; Y463-E474 HydrophobicContact CE1-CG 3.46Å; Y463-E474 VanDerWaalsContact CE1-CG 3.46Å
464	C	98.1	Very high	96.7	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.074	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.5	175.5	179.1	0	0	0	0	109.7	K446 M447 Y448 W472 A473 C475	K446-C464 WeakPolarHBondContact CD-SG 3.28Å; M447-C464 CarbonylContact O-C 3.33Å; M447-C464 VanDerWaalsContact O-CA 3.3Å; M447-C464 WeakPolarHBondContact O-CA 3.48Å; Y448-C464 HydrophobicContact CD1-CB 3.79Å; Y448-C464 HydrophobicContact CE1-CB 3.65Å; Y448-C464 WeakPolarHBondContact CE1-SG 3.44Å; C464-W472 CarbonylContact O-C 3.59Å; C464-W472 WeakPolarHBondContact O-CA 3.35Å; C464-A473 PolarHBondContact N-O 2.78Å; C464-A473 PolarHBondContact O-N 3.16Å; C464-C475 WeakPolarHBondContact CB-SG 3.19Å
465	Y	98.6	Very high	96.8	Very high	4 Å²	4	59 Å²	59	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.5	174.5	-179.5	-104.4	0	0	0	110.9	L396 Y401 A429 K446 M447 P467 N470 Q471 W472	L396-Y465 HydrophobicContact CD2-CD1 4.48Å; Y401-Y465 HydrophobicContact CE1-CE1 4.03Å; A429-Y465 HydrophobicContact CB-CE2 4.37Å; K446-Y465 WeakPolarHBondContact CB-O 3.21Å; M447-Y465 HydrophobicContact CE-CD1 3.26Å; M447-Y465 HydrophobicContact CE-CE1 3.76Å; M447-Y465 HydrophobicContact CE-CG 3.88Å; M447-Y465 PolarHBondContact N-O 2.9Å; M447-Y465 PolarHBondContact O-N 3.06Å; Y465-P467 HydrophobicContact CD1-CB 4.46Å; Y465-P467 VanDerWaalsContact CE1-CA 3.49Å; Y465-P467 HydrophobicContact CE1-CB 3.92Å; Y465-N470 PolarHBondContact OH-OD1 3.43Å; Y465-Q471 WeakPolarHBondContact CA-O 3.19Å; Y465-W472 AromaticContact CD2-CD1 3.84Å; Y465-W472 AromaticContact CD2-CD2 3.88Å; Y465-W472 HydrophobicContact CD2-CD2 3.88Å; Y465-W472 AromaticContact CD2-CE2 3.53Å; Y465-W472 HydrophobicContact CD2-CG 4.07Å; Y465-W472 HydrophobicContact CD2-CZ2 4.02Å; Y465-W472 AromaticContact CD2-NE1 3.49Å; Y465-W472 HydrophobicContact CG-CD2 4.28Å; Y465-W472 AromaticContact CG-CE2 3.99Å; Y465-W472 HydrophobicContact CG-CH2 4.43Å; Y465-W472 HydrophobicContact CG-CZ2 4.08Å
466	D	96.3	Very high	97	Very high	32 Å²	32	59 Å²	59	17%	0.171	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.4	169.9	-175.2	-17.1	0	0	0	109.8	Q468 H469 N470 Q471	D466-Q468 VanDerWaalsContact C-N 3.27Å; D466-Q468 PolarHBondContact O-N 2.92Å; D466-Q468 WeakPolarHBondContact OD1-CB 3.48Å; D466-Q468 PolarHBondContact OD1-N 2.79Å; D466-H469 IonicContact OD1-ND1 2.7Å; D466-H469 IonicContact OD2-CE1 3.87Å; D466-H469 IonicContact OD2-CG 3.23Å; D466-H469 IonicContact OD2-ND1 2.87Å; D466-H469 PolarHBondContact OD2-ND1 3.18Å; D466-N470 WeakPolarHBondContact O-CA 3.42Å; D466-N470 PolarHBondContact O-N 2.96Å; D466-Q471 PolarHBondContact N-O 2.8Å; D466-Q471 PolarHBondContact O-N 3.46Å
467	P	94.9	Very high	97.2	Very high	26 Å²	26	56.2 Å²	56.2	17%	0.169	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.1	-179.1	32.3	-39.2	0	0	0	113.1	L396 D397 G445 Y465	L396-P467 HydrophobicContact CD2-CB 3.95Å; L396-P467 HydrophobicContact CD2-CG 3.72Å; L396-P467 HydrophobicContact CG-CG 4.29Å; D397-P467 WeakPolarHBondContact OD2-CG 3.38Å; G445-P467 WeakPolarHBondContact O-CD 3.48Å; Y465-P467 HydrophobicContact CD1-CB 4.46Å; Y465-P467 VanDerWaalsContact CE1-CA 3.49Å; Y465-P467 HydrophobicContact CE1-CB 3.92Å
468	Q	94.9	Very high	97.1	Very high	166 Å²	166	53.8 Å²	53.8	78%	0.776	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-38.8	-177.9	-60.6	-176.4	2.1	0	0	111.4	D466	D466-Q468 VanDerWaalsContact C-N 3.27Å; D466-Q468 PolarHBondContact O-N 2.92Å; D466-Q468 WeakPolarHBondContact OD1-CB 3.48Å; D466-Q468 PolarHBondContact OD1-N 2.79Å
469	H	95.9	Very high	96.9	Very high	119 Å²	119	54.3 Å²	54.3	55%	0.551	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-9.1	-179.9	-60.8	98.8	0	0	0	112.8	D466 Q471	D466-H469 IonicContact OD1-ND1 2.7Å; D466-H469 IonicContact OD2-CE1 3.87Å; D466-H469 IonicContact OD2-CG 3.23Å; D466-H469 IonicContact OD2-ND1 2.87Å; D466-H469 PolarHBondContact OD2-ND1 3.18Å; H469-Q471 HydrophobicContact CB-CB 4.39Å; H469-Q471 HydrophobicContact CB-CG 4.48Å; H469-Q471 WeakPolarHBondContact O-CG 3.48Å
470	N	97.5	Very high	96.8	Very high	68 Å²	68	55.1 Å²	55.1	36%	0.364	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	55.4	-172.8	-176.3	23.4	0	0	0	110.8	A429 Y465 D466	A429-N470 WeakPolarHBondContact CB-O 3.47Å; A429-N470 WeakPolarHBondContact CB-OD1 3.38Å; A429-N470 PolarHBondContact N-OD1 3.15Å; Y465-N470 PolarHBondContact OH-OD1 3.43Å; D466-N470 WeakPolarHBondContact O-CA 3.42Å; D466-N470 PolarHBondContact O-N 2.96Å
471	Q	97.9	Very high	96.8	Very high	128 Å²	128	54.9 Å²	54.9	60%	0.598	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	146.5	-174.2	-76.7	177.2	17.5	0	0	112.1	Y465 D466 H469	Y465-Q471 WeakPolarHBondContact CA-O 3.19Å; D466-Q471 PolarHBondContact N-O 2.8Å; D466-Q471 PolarHBondContact O-N 3.46Å; H469-Q471 HydrophobicContact CB-CB 4.39Å; H469-Q471 HydrophobicContact CB-CG 4.48Å; H469-Q471 WeakPolarHBondContact O-CG 3.48Å
472	W	98.4	Very high	96.8	Very high	41 Å²	41	52.9 Å²	52.9	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.5	171.3	-67.9	93.9	0	0	0	110.8	I403 V415 A429 L431 I449 C464 Y465	I403-W472 HydrophobicContact CD1-CH2 4.24Å; I403-W472 HydrophobicContact CG2-CH2 3.93Å; I403-W472 HydrophobicContact CG2-CZ2 3.9Å; V415-W472 HydrophobicContact CG2-CZ2 4.08Å; A429-W472 PolarHBondContact O-NE1 3.13Å; L431-W472 HydrophobicContact CD2-CD2 3.56Å; L431-W472 VanDerWaalsContact CD2-CE2 3.45Å; L431-W472 HydrophobicContact CD2-CE3 3.89Å; L431-W472 HydrophobicContact CD2-CG 4.07Å; L431-W472 HydrophobicContact CD2-CH2 4Å; L431-W472 HydrophobicContact CD2-CZ2 3.7Å; L431-W472 HydrophobicContact CD2-CZ3 4.09Å; I449-W472 HydrophobicContact CD1-CH2 4.37Å; I449-W472 HydrophobicContact CD1-CZ3 4.23Å; I449-W472 HydrophobicContact CG1-CH2 4.35Å; I449-W472 HydrophobicContact CG1-CZ3 3.91Å; I449-W472 HydrophobicContact CG2-CH2 4.18Å; I449-W472 HydrophobicContact CG2-CZ3 4.38Å; C464-W472 CarbonylContact O-C 3.59Å; C464-W472 WeakPolarHBondContact O-CA 3.35Å; Y465-W472 AromaticContact CD2-CD1 3.84Å; Y465-W472 AromaticContact CD2-CD2 3.88Å; Y465-W472 HydrophobicContact CD2-CD2 3.88Å; Y465-W472 AromaticContact CD2-CE2 3.53Å; Y465-W472 HydrophobicContact CD2-CG 4.07Å; Y465-W472 HydrophobicContact CD2-CZ2 4.02Å; Y465-W472 AromaticContact CD2-NE1 3.49Å; Y465-W472 HydrophobicContact CG-CD2 4.28Å; Y465-W472 AromaticContact CG-CE2 3.99Å; Y465-W472 HydrophobicContact CG-CH2 4.43Å; Y465-W472 HydrophobicContact CG-CZ2 4.08Å
473	A	97.5	Very high	96.8	Very high	56 Å²	56	52.7 Å²	52.7	46%	0.463	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.6	172.8	0	0	0	0	0	110.7	Y463 C464	Y463-A473 CarbonylContact C-O 3.16Å; Y463-A473 VanDerWaalsContact CA-O 3.32Å; Y463-A473 WeakPolarHBondContact CA-O 3.32Å; C464-A473 PolarHBondContact N-O 2.78Å; C464-A473 PolarHBondContact O-N 3.16Å
474	E	97.6	Very high	96.8	Very high	123 Å²	123	53.2 Å²	53.2	58%	0.575	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	138	171.7	-73	170	-155.6	0	0	110	K432 Y463	K432-E474 IonicContact NZ-OE1 3.69Å; K432-E474 PolarHBondContact NZ-OE1 3.08Å; Y463-E474 HydrophobicContact CD1-CG 3.89Å; Y463-E474 HydrophobicContact CE1-CG 3.46Å; Y463-E474 VanDerWaalsContact CE1-CG 3.46Å
475	C	97.8	Very high	96.8	Very high	24 Å²	24	53.2 Å²	53.2	16%	0.162	27%	0.273	C	S	.	.			trans	-115.2	179.7	173.8	-58.5	0	0	0	0	110.5	T462 C464 E477 Y516 N521	T462-C475 HydrophobicContact CG2-CB 3.84Å; T462-C475 PolarHBondContact O-N 2.75Å; C464-C475 WeakPolarHBondContact CB-SG 3.19Å; C475-E477 PolarHBondContact O-N 3.15Å; C475-Y516 HydrophobicContact CB-CE2 4.4Å; C475-N521 WeakPolarHBondContact CB-OD1 3.36Å
476	A	97.8	Very high	96.8	Very high	28 Å²	28	53.2 Å²	53.2	23%	0.231	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-56.7	133.5	172.4	0	0	0	0	0	111	T462 Y516 N521 W523	T462-A476 WeakPolarHBondContact CB-O 3.47Å; T462-A476 PolarHBondContact OG1-O 2.64Å; A476-Y516 HydrophobicContact CB-CE2 4.46Å; A476-N521 WeakPolarHBondContact CB-O 3.36Å; A476-N521 PolarHBondContact N-OD1 2.88Å; A476-W523 PolarHBondContact O-NE1 3.11Å
477	E	96.9	Very high	96.9	Very high	106 Å²	106	52.5 Å²	52.5	50%	0.495	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-64.7	142.9	-179.7	-66.6	-175.1	160.9	0	0	112	R460 C475 W523	R460-E477 HydrophobicContact CB-CB 4.15Å; R460-E477 IonicContact CZ-OE2 3.35Å; R460-E477 IonicContact NH1-OE2 2.83Å; R460-E477 PolarHBondContact NH1-OE2 2.82Å; R460-E477 IonicContact NH2-OE2 2.79Å; R460-E477 CarbonylContact O-C 3.5Å; R460-E477 WeakPolarHBondContact O-CA 3.45Å; C475-E477 PolarHBondContact O-N 3.15Å; E477-W523 PolarHBondContact O-NE1 3.38Å
478	G	93.1	Very high	97	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.01	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60.1	160.5	175	0	0	0	0	0	112.6	R460 V480	R460-G478 PolarHBondContact NE-O 2.77Å; R460-G478 PolarHBondContact NH2-O 3.5Å; R460-G478 PolarHBondContact O-N 3.04Å; G478-V480 VanDerWaalsContact C-N 3.35Å; G478-V480 PolarHBondContact O-N 2.88Å
479	P	93.5	Very high	97.1	Very high	41 Å²	41	45.2 Å²	45.2	27%	0.266	24%	0.241	S	C	.	.	S	Bend	trans	-71.5	-27.4	-170.7	30.2	-38.5	0	0	0	113.8	A514 V525	P479-A514 HydrophobicContact CG-CB 3.63Å; P479-V525 HydrophobicContact CB-CG2 4.49Å
480	V	95.8	Very high	97.2	Very high	32 Å²	32	40 Å²	40	19%	0.194	22%	0.217	C	C	.	.	S	Bend	trans	-145	136.1	-175.4	168.8	0	0	0	0	109.5	G478 R482 V510	G478-V480 VanDerWaalsContact C-N 3.35Å; G478-V480 PolarHBondContact O-N 2.88Å; V480-R482 PolarHBondContact O-N 2.83Å; V480-V510 HydrophobicContact CG1-CG1 3.9Å
481	E	97.3	Very high	97.1	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	22%	0.224	S	C	.	.			trans	-61.9	132	172.5	59.2	-87	-178.7	0	0	111.3	L459 R460 N501	L459-E481 VanDerWaalsContact O-CA 3.26Å; L459-E481 WeakPolarHBondContact O-CA 3.41Å; R460-E481 WeakPolarHBondContact CD-OE2 3.5Å; R460-E481 HydrophobicContact CG-CB 3.8Å; R460-E481 VanDerWaalsContact CG-N 3.3Å; E481-N501 WeakPolarHBondContact O-CB 3.3Å
482	R	97.8	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-158.8	164.5	-178.5	67.1	-179	69.8	-154.8	8.7	113	C451 G452 L459 V480 H485 G498 S500 V510 Q512	C451-R482 HydrophobicContact CB-CG 3.78Å; C451-R482 WeakPolarHBondContact CB-O 3.33Å; G452-R482 WeakPolarHBondContact CA-O 3.46Å; G452-R482 PolarHBondContact N-O 2.71Å; L459-R482 PolarHBondContact O-N 3.46Å; V480-R482 PolarHBondContact O-N 2.83Å; R482-H485 HydrophobicContact CG-CB 4.31Å; R482-G498 WeakPolarHBondContact CD-O 3.42Å; R482-G498 PolarHBondContact NH1-O 3.28Å; R482-S500 CarbonylContact C-O 3.53Å; R482-S500 WeakPolarHBondContact CA-O 3.32Å; R482-V510 HydrophobicContact CB-CG2 4.12Å; R482-V510 VanDerWaalsContact NH1-CG1 3.32Å; R482-Q512 VanDerWaalsContact CZ-O 3.32Å; R482-Q512 PolarHBondContact NH1-O 3.42Å; R482-Q512 PolarHBondContact NH2-O 3.36Å
483	A	98.1	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-151	165.7	170.7	0	0	0	0	0	111.9	A437 R453 Y458 H485 G499 S500	A437-A483 HydrophobicContact CB-CB 3.97Å; A437-A483 CarbonylContact O-C 3.57Å; A437-A483 WeakPolarHBondContact O-CA 3.31Å; R453-A483 HydrophobicContact CG-CB 3.5Å; Y458-A483 HydrophobicContact CD1-CB 3.74Å; Y458-A483 HydrophobicContact CE1-CB 3.81Å; A483-H485 PolarHBondContact O-N 2.95Å; A483-G499 CarbonylContact O-C 3.54Å; A483-G499 VanDerWaalsContact O-CA 3.26Å; A483-G499 WeakPolarHBondContact O-CA 3.25Å; A483-S500 PolarHBondContact N-O 3.38Å; A483-S500 PolarHBondContact O-N 3.28Å; A483-S500 PolarHBondContact O-OG 3.09Å
484	W	97.6	Very high	97	Very high	32 Å²	32	37.1 Å²	37.1	12%	0.121	21%	0.205	C	C	.	.	S	Bend	trans	55	34	-171.4	-58.4	-84.5	0	0	0	112.3	Y436 A437 R453 Y458 G499 R507 E535 P536	Y436-W484 HydrophobicContact CE2-CZ2 4.08Å; A437-W484 HydrophobicContact CB-CD2 3.59Å; A437-W484 VanDerWaalsContact CB-CE2 3.48Å; A437-W484 HydrophobicContact CB-CE3 4.23Å; A437-W484 HydrophobicContact CB-CG 3.77Å; A437-W484 HydrophobicContact CB-CZ2 4.08Å; A437-W484 PolarHBondContact O-N 2.99Å; R453-W484 HydrophobicContact CG-CZ3 4.39Å; Y458-W484 HydrophobicContact CE1-CE3 4.46Å; Y458-W484 HydrophobicContact CE1-CZ3 4.08Å; W484-G499 WeakPolarHBondContact O-CA 3.48Å; W484-R507 VanDerWaalsContact CD2-NH2 3.31Å; W484-R507 VanDerWaalsContact CE3-CZ 3.44Å; W484-R507 VanDerWaalsContact CZ3-NH2 3.3Å; W484-E535 HydrophobicContact CB-CG 3.81Å; W484-E535 HydrophobicContact CG-CG 3.89Å; W484-E535 PolarHBondContact O-N 3.37Å; W484-P536 WeakPolarHBondContact O-CD 3.48Å
485	H	98.3	Very high	97.1	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.051	18%	0.179	C	C	.	.			trans	-89	168.1	174.7	60.6	-74.4	0	0	0	111.2	A439 T450 R482 A483 I497 G498	A439-H485 WeakPolarHBondContact CB-O 3.21Å; T450-H485 PolarHBondContact O-CE1 3.04Å; T450-H485 PolarHBondContact O-NE2 2.83Å; T450-H485 PolarHBondContact OG1-NE2 3.23Å; R482-H485 HydrophobicContact CG-CB 4.31Å; A483-H485 PolarHBondContact O-N 2.95Å; H485-I497 WeakPolarHBondContact CB-O 3.39Å; H485-G498 WeakPolarHBondContact CB-O 3.43Å
486	G	97.8	Very high	97.1	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	151.1	169.9	0	0	0	0	0	112.3	I497	G486-I497 PolarHBondContact N-O 2.98Å; G486-I497 PolarHBondContact O-N 3.07Å
487	M	97.9	Very high	97.1	Very high	17 Å²	17	29.5 Å²	29.5	8%	0.084	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.1	167	-79.8	176.2	72.8	0	0	111.6	A439 A441 T450 V494 Y495 V496	A439-M487 HydrophobicContact CB-CB 3.83Å; A439-M487 HydrophobicContact CB-CG 3.67Å; A439-M487 HydrophobicContact CB-SD 3.79Å; A441-M487 HydrophobicContact CB-CB 4.4Å; A441-M487 HydrophobicContact CB-CE 4.42Å; T450-M487 HydrophobicContact CG2-CE 3.53Å; T450-M487 HydrophobicContact CG2-SD 3.79Å; T450-M487 PolarHBondContact OG1-SD 3.1Å; M487-V494 HydrophobicContact CE-CG1 3.22Å; M487-Y495 VanDerWaalsContact CA-O 3.22Å; M487-Y495 WeakPolarHBondContact CA-O 3.36Å; M487-V496 HydrophobicContact CE-CG2 4.29Å; M487-V496 HydrophobicContact CG-CG2 3.73Å; M487-V496 HydrophobicContact SD-CG2 4.07Å
488	A	98	Very high	97.2	Very high	6 Å²	6	24.4 Å²	24.4	5%	0.05	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.7	176.1	0	0	0	0	0	110.4	V490 V494 Y495 V538 V540 I545	A488-V490 HydrophobicContact CB-CG2 4.48Å; A488-V494 CarbonylContact O-C 3.59Å; A488-Y495 PolarHBondContact N-O 2.7Å; A488-Y495 PolarHBondContact O-N 3.45Å; A488-V538 HydrophobicContact CB-CG1 4.1Å; A488-V540 HydrophobicContact CB-CG2 3.61Å; A488-I545 HydrophobicContact CB-CD1 4Å; A488-I545 HydrophobicContact CB-CG1 4.26Å; A488-I545 HydrophobicContact CB-CG2 3.98Å
489	A	97.8	Very high	97.4	Very high	32 Å²	32	24.4 Å²	24.4	26%	0.264	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.5	170.9	0	0	0	0	0	109.5	A441 V442 L443 R493 V494	A441-A489 HydrophobicContact CB-CB 4.07Å; V442-A489 WeakPolarHBondContact O-CB 3.46Å; L443-A489 HydrophobicContact CB-CB 4.28Å; A489-R493 CarbonylContact C-O 3.51Å; A489-R493 VanDerWaalsContact CA-O 3.29Å; A489-R493 WeakPolarHBondContact CA-O 3.31Å; A489-V494 HydrophobicContact CB-CG2 4.37Å
490	V	97.5	Very high	97.6	Very high	9 Å²	9	22.4 Å²	22.4	6%	0.055	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.5	-179.2	-171.2	0	0	0	0	108.7	A488 G492 R493 Y495 V540 I545 T567	A488-V490 HydrophobicContact CB-CG2 4.48Å; V490-G492 VanDerWaalsContact C-N 3.28Å; V490-G492 PolarHBondContact O-N 3.07Å; V490-G492 VanDerWaalsContact O-N 3.15Å; V490-R493 PolarHBondContact N-O 2.91Å; V490-R493 PolarHBondContact O-N 3.15Å; V490-Y495 HydrophobicContact CB-CD2 4.48Å; V490-Y495 HydrophobicContact CB-CE2 4.17Å; V490-V540 HydrophobicContact CG2-CB 4.46Å; V490-V540 HydrophobicContact CG2-CG1 3.61Å; V490-V540 HydrophobicContact CG2-CG2 3.92Å; V490-I545 HydrophobicContact CG2-CD1 3.84Å; V490-I545 HydrophobicContact CG2-CG1 3.67Å; V490-T567 HydrophobicContact CB-CG2 4.05Å; V490-T567 HydrophobicContact CG1-CG2 3.94Å; V490-T567 HydrophobicContact CG2-CG2 4.43Å
491	N	95.3	Very high	97.6	Very high	97 Å²	97	22 Å²	22	52%	0.519	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	43.3	172.6	-68.4	-18.9	0	0	0	114.3	R493 T567	N491-R493 VanDerWaalsContact C-N 3.31Å; N491-R493 PolarHBondContact O-N 2.84Å; N491-T567 PolarHBondContact ND2-OG1 2.88Å
492	G	96.1	Very high	97.5	Very high	43 Å²	43	22 Å²	22	44%	0.443	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	12.1	177	0	0	0	0	0	115.1	L443 V490	L443-G492 WeakPolarHBondContact CD2-O 3.27Å; V490-G492 VanDerWaalsContact C-N 3.28Å; V490-G492 PolarHBondContact O-N 3.07Å; V490-G492 VanDerWaalsContact O-N 3.15Å
493	R	97.5	Very high	97	Very high	93 Å²	93	26.8 Å²	26.8	35%	0.351	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.5	-178.3	-63.8	178.2	-179.1	-96.7	-5	111.4	A489 V490 N491 Y495 C515 Y516	A489-R493 CarbonylContact C-O 3.51Å; A489-R493 VanDerWaalsContact CA-O 3.29Å; A489-R493 WeakPolarHBondContact CA-O 3.31Å; V490-R493 PolarHBondContact N-O 2.91Å; V490-R493 PolarHBondContact O-N 3.15Å; N491-R493 VanDerWaalsContact C-N 3.31Å; N491-R493 PolarHBondContact O-N 2.84Å; R493-Y495 HydrophobicContact CB-CD2 4.48Å; R493-Y495 HydrophobicContact CB-CE2 3.84Å; R493-C515 HydrophobicContact CB-CB 4.25Å; R493-Y516 WeakPolarHBondContact CA-O 3.49Å
494	V	98.2	Very high	96.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.7	173.1	177.1	0	0	0	0	109.7	A441 L443 Y448 M487 A488 A489 C515 Y516	A441-V494 HydrophobicContact CB-CG1 4Å; A441-V494 HydrophobicContact CB-CG2 4.47Å; L443-V494 HydrophobicContact CB-CG2 3.93Å; L443-V494 HydrophobicContact CD2-CG2 3.77Å; Y448-V494 HydrophobicContact CD2-CG2 4.2Å; M487-V494 HydrophobicContact CE-CG1 3.22Å; A488-V494 CarbonylContact O-C 3.59Å; A489-V494 HydrophobicContact CB-CG2 4.37Å; V494-C515 CarbonylContact O-C 3.59Å; V494-C515 WeakPolarHBondContact O-CA 3.04Å; V494-Y516 PolarHBondContact N-O 2.98Å; V494-Y516 PolarHBondContact O-N 2.92Å
495	Y	98.6	Very high	96	Very high	10 Å²	10	39 Å²	39	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.7	-179.5	-66.2	-100.2	0	0	0	110.9	M487 A488 V490 R493 A514 C515 I545 Y565 T567	M487-Y495 VanDerWaalsContact CA-O 3.22Å; M487-Y495 WeakPolarHBondContact CA-O 3.36Å; A488-Y495 PolarHBondContact N-O 2.7Å; A488-Y495 PolarHBondContact O-N 3.45Å; V490-Y495 HydrophobicContact CB-CD2 4.48Å; V490-Y495 HydrophobicContact CB-CE2 4.17Å; R493-Y495 HydrophobicContact CB-CD2 4.48Å; R493-Y495 HydrophobicContact CB-CE2 3.84Å; Y495-A514 CarbonylContact C-O 3.52Å; Y495-A514 WeakPolarHBondContact CA-O 3.43Å; Y495-C515 HydrophobicContact CD1-CB 3.65Å; Y495-C515 HydrophobicContact CD2-CB 4.42Å; Y495-C515 HydrophobicContact CE1-CB 3.56Å; Y495-C515 HydrophobicContact CE2-CB 4.35Å; Y495-C515 HydrophobicContact CG-CB 4.09Å; Y495-I545 HydrophobicContact CD1-CD1 4.36Å; Y495-I545 HydrophobicContact CD2-CD1 3.85Å; Y495-I545 HydrophobicContact CE2-CD1 4.49Å; Y495-I545 HydrophobicContact CG-CD1 3.78Å; Y495-Y565 AromaticContact CD1-CE1 3.92Å; Y495-Y565 HydrophobicContact CD1-CE1 3.92Å; Y495-Y565 HydrophobicContact CE1-CD1 4.48Å; Y495-Y565 AromaticContact CE1-CE1 3.6Å; Y495-Y565 HydrophobicContact CE1-CE1 3.6Å; Y495-T567 HydrophobicContact CE1-CG2 4.23Å; Y495-T567 HydrophobicContact CE2-CG2 3.92Å
496	V	98.4	Very high	95.6	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.2	173.8	166.5	0	0	0	0	108.5	T450 M487 A514 W523	T450-V496 HydrophobicContact CG2-CG2 4.05Å; T450-V496 WeakPolarHBondContact OG1-CG2 3.48Å; M487-V496 HydrophobicContact CE-CG2 4.29Å; M487-V496 HydrophobicContact CG-CG2 3.73Å; M487-V496 HydrophobicContact SD-CG2 4.07Å; V496-A514 PolarHBondContact N-O 3.07Å; V496-A514 PolarHBondContact O-N 3.08Å; V496-W523 HydrophobicContact CB-CH2 4.27Å; V496-W523 HydrophobicContact CB-CZ3 4.04Å; V496-W523 HydrophobicContact CG2-CH2 3.37Å; V496-W523 HydrophobicContact CG2-CZ2 4.45Å; V496-W523 HydrophobicContact CG2-CZ3 3.62Å
497	I	98.5	Very high	95.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.4	-165.4	-61.1	164.1	0	0	0	110.4	H485 G486 V513 L529 I545 I547 W572	H485-I497 WeakPolarHBondContact CB-O 3.39Å; G486-I497 PolarHBondContact N-O 2.98Å; G486-I497 PolarHBondContact O-N 3.07Å; I497-V513 HydrophobicContact CG1-CG1 3.62Å; I497-V513 HydrophobicContact CG1-CG2 4.46Å; I497-V513 HydrophobicContact CG2-CG2 4.3Å; I497-L529 HydrophobicContact CG2-CD1 3.66Å; I497-L529 HydrophobicContact CG2-CD2 3.96Å; I497-L529 HydrophobicContact CG2-CG 3.9Å; I497-I545 HydrophobicContact CD1-CB 4.44Å; I497-I545 HydrophobicContact CD1-CD1 3.97Å; I497-I545 HydrophobicContact CD1-CG2 3.86Å; I497-I547 HydrophobicContact CB-CD1 4.14Å; I497-I547 HydrophobicContact CD1-CD1 3.86Å; I497-I547 HydrophobicContact CG2-CD1 3.68Å; I497-I547 HydrophobicContact CG2-CG1 3.81Å; I497-W572 HydrophobicContact CG2-CH2 3.94Å; I497-W572 HydrophobicContact CG2-CZ2 4.49Å
498	G	97.9	Very high	95.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.			trans	71.8	-147.5	172.8	0	0	0	0	0	113.9	R482 H485 V510 L529	R482-G498 WeakPolarHBondContact CD-O 3.42Å; R482-G498 PolarHBondContact NH1-O 3.28Å; H485-G498 WeakPolarHBondContact CB-O 3.43Å; G498-V510 WeakPolarHBondContact CA-O 3.5Å; G498-L529 VanDerWaalsContact N-CD1 3.34Å
499	G	97.8	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.			trans	83.2	-165.2	-170.9	0	0	0	0	0	113	A483 W484 V510 H533	A483-G499 CarbonylContact O-C 3.54Å; A483-G499 VanDerWaalsContact O-CA 3.26Å; A483-G499 WeakPolarHBondContact O-CA 3.25Å; W484-G499 WeakPolarHBondContact O-CA 3.48Å; G499-V510 PolarHBondContact O-N 2.94Å; G499-H533 PolarHBondContact N-O 3.29Å
500	S	97.3	Very high	95.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.6	-177.1	56.3	0	0	0	0	111.1	Y458 R482 A483 R507 R508 H553	Y458-S500 WeakPolarHBondContact CD1-O 3.3Å; Y458-S500 WeakPolarHBondContact CE1-O 3.43Å; R482-S500 CarbonylContact C-O 3.53Å; R482-S500 WeakPolarHBondContact CA-O 3.32Å; A483-S500 PolarHBondContact N-O 3.38Å; A483-S500 PolarHBondContact O-N 3.28Å; A483-S500 PolarHBondContact O-OG 3.09Å; S500-R507 VanDerWaalsContact OG-CZ 3.3Å; S500-R507 PolarHBondContact OG-NE 3Å; S500-R507 PolarHBondContact OG-NH2 3.48Å; S500-R508 CarbonylContact C-O 3.5Å; S500-R508 WeakPolarHBondContact CA-O 3.31Å; S500-R508 WeakPolarHBondContact CB-O 3.35Å; S500-H553 VanDerWaalsContact CB-CD2 3.47Å; S500-H553 WeakPolarHBondContact CB-CD2 3.34Å
501	N	96.5	Very high	95.4	Very high	22 Å²	22	54 Å²	54	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	-174.2	175.6	69.3	-7.9	0	0	0	110.7	E481 R507 R508 V510	E481-N501 WeakPolarHBondContact O-CB 3.3Å; N501-R507 VanDerWaalsContact O-CA 3.25Å; N501-R507 WeakPolarHBondContact O-CA 3.45Å; N501-R508 PolarHBondContact N-O 3.08Å; N501-R508 PolarHBondContact O-N 3.44Å; N501-V510 HydrophobicContact CB-CG2 3.7Å
502	D	94.1	Very high	95.5	Very high	79 Å²	79	52.6 Å²	52.6	42%	0.422	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.8	170	-172.5	-0.7	0	0	0	109.7	Y458 G505 Y506	Y458-D502 HydrophobicContact CD2-CB 3.89Å; Y458-D502 HydrophobicContact CE2-CB 3.69Å; D502-G505 WeakPolarHBondContact OD1-CA 3.44Å; D502-G505 PolarHBondContact OD1-N 3.04Å; D502-Y506 PolarHBondContact OD1-N 2.85Å
503	E	89.1	Confident	95.6	Very high	102 Å²	102	50.6 Å²	50.6	48%	0.477	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108.6	171.1	-162.7	-175.1	178.4	0	0	109.5	G505 Y506 R508	E503-G505 VanDerWaalsContact C-N 3.3Å; E503-G505 PolarHBondContact O-N 3.08Å; E503-Y506 PolarHBondContact N-O 2.76Å; E503-Y506 PolarHBondContact O-N 3.42Å; E503-R508 HydrophobicContact CB-CB 4.25Å; E503-R508 HydrophobicContact CB-CG 3.68Å
504	R	86.4	Confident	95.7	Very high	228 Å²	228	46.1 Å²	46.1	86%	0.86	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	36.7	178.7	-53.9	176.9	-173.9	-170.1	1.3	113.9	Y506	R504-Y506 VanDerWaalsContact C-N 3.35Å; R504-Y506 WeakPolarHBondContact O-CD2 3.43Å
505	G	86.4	Confident	95.6	Very high	60 Å²	60	46.3 Å²	46.3	62%	0.619	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	6.8	178.6	0	0	0	0	0	113.8	D502 E503	D502-G505 WeakPolarHBondContact OD1-CA 3.44Å; D502-G505 PolarHBondContact OD1-N 3.04Å; E503-G505 VanDerWaalsContact C-N 3.3Å; E503-G505 PolarHBondContact O-N 3.08Å
506	Y	90.4	Very high	95.6	Very high	150 Å²	150	46.1 Å²	46.1	59%	0.588	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120	133.2	176.5	-62.6	-82.3	0	0	0	110	D502 E503 R504 R508	D502-Y506 PolarHBondContact OD1-N 2.85Å; E503-Y506 PolarHBondContact N-O 2.76Å; E503-Y506 PolarHBondContact O-N 3.42Å; R504-Y506 VanDerWaalsContact C-N 3.35Å; R504-Y506 WeakPolarHBondContact O-CD2 3.43Å; Y506-R508 PolarHBondContact O-N 3.49Å
507	R	94.3	Very high	95.6	Very high	70 Å²	70	46.6 Å²	46.6	26%	0.264	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	124.5	172.5	-169.5	167.6	175.5	-173.5	-11.4	109.6	W484 S500 N501 H553	W484-R507 VanDerWaalsContact CD2-NH2 3.31Å; W484-R507 VanDerWaalsContact CE3-CZ 3.44Å; W484-R507 VanDerWaalsContact CZ3-NH2 3.3Å; S500-R507 VanDerWaalsContact OG-CZ 3.3Å; S500-R507 PolarHBondContact OG-NE 3Å; S500-R507 PolarHBondContact OG-NH2 3.48Å; N501-R507 VanDerWaalsContact O-CA 3.25Å; N501-R507 WeakPolarHBondContact O-CA 3.45Å; R507-H553 VanDerWaalsContact CD-CE1 3.49Å; R507-H553 WeakPolarHBondContact CD-CE1 3.37Å; R507-H553 HydrophobicContact CG-CB 4.32Å; R507-H553 PolarHBondContact NE-CE1 3.36Å; R507-H553 PolarHBondContact NE-NE2 2.72Å; R507-H553 VanDerWaalsContact NE-NE2 3.15Å; R507-H553 PolarHBondContact NH2-CE1 3.45Å; R507-H553 PolarHBondContact NH2-NE2 2.87Å
508	R	96.6	Very high	95.5	Very high	87 Å²	87	48 Å²	48	33%	0.328	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	158.3	-178.5	-68.3	-62.7	-179.1	-120.4	-2.8	111.9	S500 N501 E503 Y506 D554	S500-R508 CarbonylContact C-O 3.5Å; S500-R508 WeakPolarHBondContact CA-O 3.31Å; S500-R508 WeakPolarHBondContact CB-O 3.35Å; N501-R508 PolarHBondContact N-O 3.08Å; N501-R508 PolarHBondContact O-N 3.44Å; E503-R508 HydrophobicContact CB-CB 4.25Å; E503-R508 HydrophobicContact CB-CG 3.68Å; Y506-R508 PolarHBondContact O-N 3.49Å; R508-D554 WeakPolarHBondContact CD-OD1 3.43Å
509	D	97.8	Very high	95.3	Very high	14 Å²	14	52.5 Å²	52.5	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135.5	174.8	-66.6	-33.7	0	0	0	110.8	L511 S552 H553 D554	D509-L511 HydrophobicContact CB-CD2 4.4Å; D509-S552 WeakPolarHBondContact OD1-CA 3.45Å; D509-S552 WeakPolarHBondContact OD2-CA 3.35Å; D509-S552 VanDerWaalsContact OD2-CB 3.26Å; D509-S552 WeakPolarHBondContact OD2-CB 3.48Å; D509-S552 PolarHBondContact OD2-OG 3.23Å; D509-H553 IonicContact OD1-CD2 3.35Å; D509-H553 IonicContact OD1-CG 3.57Å; D509-H553 PolarHBondContact OD1-N 3.44Å; D509-H553 PolarHBondContact OD2-N 3.05Å; D509-D554 PolarHBondContact N-OD1 2.89Å; D509-D554 WeakPolarHBondContact OD2-CB 3.44Å; D509-D554 PolarHBondContact OD2-N 3.01Å
510	V	97.8	Very high	95.2	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.042	29%	0.294	C	S	.	.			trans	-98.3	103	174.6	-170.6	0	0	0	0	109.9	V480 R482 G498 G499 N501	V480-V510 HydrophobicContact CG1-CG1 3.9Å; R482-V510 HydrophobicContact CB-CG2 4.12Å; R482-V510 VanDerWaalsContact NH1-CG1 3.32Å; G498-V510 WeakPolarHBondContact CA-O 3.5Å; G499-V510 PolarHBondContact O-N 2.94Å; N501-V510 HydrophobicContact CB-CG2 3.7Å
511	L	98	Very high	95.3	Very high	68 Å²	68	61.5 Å²	61.5	36%	0.356	31%	0.314	S	S	.	.			trans	-84.4	-22.3	-179.5	-55.5	-176.4	0	0	0	113.3	D509 V513 P528 L529 A531	D509-L511 HydrophobicContact CB-CD2 4.4Å; L511-V513 PolarHBondContact O-N 3.17Å; L511-P528 CarbonylContact O-C 3.53Å; L511-P528 WeakPolarHBondContact O-CA 3.46Å; L511-P528 WeakPolarHBondContact O-CB 3.38Å; L511-L529 HydrophobicContact CB-CB 4.5Å; L511-L529 HydrophobicContact CD2-CB 4.3Å; L511-L529 PolarHBondContact O-N 3.16Å; L511-A531 VanDerWaalsContact CD2-C 3.48Å
512	Q	98.3	Very high	95.3	Very high	67 Å²	67	62.5 Å²	62.5	31%	0.313	32%	0.323	S	S	.	.			trans	-65.5	131.1	179.8	-170.7	-176.9	76.1	0	0	110.2	R482 V525	R482-Q512 VanDerWaalsContact CZ-O 3.32Å; R482-Q512 PolarHBondContact NH1-O 3.42Å; R482-Q512 PolarHBondContact NH2-O 3.36Å; Q512-V525 HydrophobicContact CG-CG1 3.86Å; Q512-V525 HydrophobicContact CG-CG2 4.39Å
513	V	98.5	Very high	95.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.4	177	-178.7	0	0	0	0	108.5	I497 L511 V526 L529 W572	I497-V513 HydrophobicContact CG1-CG1 3.62Å; I497-V513 HydrophobicContact CG1-CG2 4.46Å; I497-V513 HydrophobicContact CG2-CG2 4.3Å; L511-V513 PolarHBondContact O-N 3.17Å; V513-V526 HydrophobicContact CB-CG2 3.79Å; V513-V526 HydrophobicContact CG1-CG2 3.45Å; V513-V526 VanDerWaalsContact CG1-CG2 3.45Å; V513-V526 PolarHBondContact O-N 3.15Å; V513-L529 HydrophobicContact CG2-CB 4.39Å; V513-L529 HydrophobicContact CG2-CD1 4.4Å; V513-L529 HydrophobicContact CG2-CG 3.83Å; V513-W572 HydrophobicContact CG2-CZ2 4.01Å
514	A	98.3	Very high	96	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.4	175.9	0	0	0	0	0	111.5	P479 Y495 V496 W523 S524	P479-A514 HydrophobicContact CG-CB 3.63Å; Y495-A514 CarbonylContact C-O 3.52Å; Y495-A514 WeakPolarHBondContact CA-O 3.43Å; V496-A514 PolarHBondContact N-O 3.07Å; V496-A514 PolarHBondContact O-N 3.08Å; A514-W523 HydrophobicContact CB-CE3 3.87Å; A514-W523 HydrophobicContact CB-CZ3 4.46Å; A514-S524 CarbonylContact C-O 3.56Å; A514-S524 WeakPolarHBondContact CA-O 3.45Å; A514-S524 WeakPolarHBondContact CB-O 3.38Å
515	C	97.9	Very high	96.5	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.7	173	68.4	0	0	0	0	110.9	R493 V494 Y495 W523 S524	R493-C515 HydrophobicContact CB-CB 4.25Å; V494-C515 CarbonylContact O-C 3.59Å; V494-C515 WeakPolarHBondContact O-CA 3.04Å; Y495-C515 HydrophobicContact CD1-CB 3.65Å; Y495-C515 HydrophobicContact CD2-CB 4.42Å; Y495-C515 HydrophobicContact CE1-CB 3.56Å; Y495-C515 HydrophobicContact CE2-CB 4.35Å; Y495-C515 HydrophobicContact CG-CB 4.09Å; C515-W523 CarbonylContact O-C 3.53Å; C515-W523 WeakPolarHBondContact O-CA 3.29Å; C515-S524 PolarHBondContact N-O 3.17Å; C515-S524 PolarHBondContact O-N 3.09Å
516	Y	98.5	Very high	97.1	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.4	178.1	177.1	-105.1	0	0	0	110.4	Y448 C475 A476 R493 V494 P518 N521 S522 W523	Y448-Y516 HydrophobicContact CD1-CD1 4.44Å; Y448-Y516 HydrophobicContact CD1-CE1 4Å; Y448-Y516 HydrophobicContact CE1-CD1 4.46Å; Y448-Y516 AromaticContact CE1-CE1 3.73Å; Y448-Y516 HydrophobicContact CE1-CE1 3.73Å; C475-Y516 HydrophobicContact CB-CE2 4.4Å; A476-Y516 HydrophobicContact CB-CE2 4.46Å; R493-Y516 WeakPolarHBondContact CA-O 3.49Å; V494-Y516 PolarHBondContact N-O 2.98Å; V494-Y516 PolarHBondContact O-N 2.92Å; Y516-P518 HydrophobicContact CD1-CG 4.14Å; Y516-P518 HydrophobicContact CE1-CB 4.16Å; Y516-P518 HydrophobicContact CE1-CG 3.98Å; Y516-N521 PolarHBondContact OH-OD1 3.4Å; Y516-S522 WeakPolarHBondContact CA-O 3.33Å; Y516-S522 WeakPolarHBondContact CD2-O 3.31Å; Y516-W523 AromaticContact CD2-CD1 3.98Å; Y516-W523 HydrophobicContact CD2-CD2 4.06Å; Y516-W523 AromaticContact CD2-CE2 3.69Å; Y516-W523 HydrophobicContact CD2-CG 4.23Å; Y516-W523 HydrophobicContact CD2-CZ2 4.1Å; Y516-W523 AromaticContact CD2-NE1 3.64Å; Y516-W523 HydrophobicContact CG-CD2 4.42Å; Y516-W523 HydrophobicContact CG-CH2 4.38Å; Y516-W523 HydrophobicContact CG-CZ2 4.09Å
517	S	97.3	Very high	97.5	Very high	12 Å²	12	45 Å²	45	8%	0.084	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.6	171	176.3	0	0	0	0	109	A519 D520 N521 S522	S517-A519 VanDerWaalsContact C-N 3.25Å; S517-A519 PolarHBondContact O-N 3.31Å; S517-D520 WeakPolarHBondContact CB-OD2 3.43Å; S517-D520 PolarHBondContact O-N 3.21Å; S517-D520 PolarHBondContact OG-N 3.38Å; S517-D520 PolarHBondContact OG-OD2 3.23Å; S517-N521 WeakPolarHBondContact O-CA 3.37Å; S517-N521 PolarHBondContact O-N 3.39Å; S517-S522 PolarHBondContact N-O 2.75Å; S517-S522 PolarHBondContact O-N 3.28Å
518	P	95.7	Very high	97.7	Very high	31 Å²	31	45.2 Å²	45.2	20%	0.201	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.7	174.5	-24.7	33.9	0	0	0	113.6	L443 Y448 Y516 D520 N521	L443-P518 HydrophobicContact CD2-CG 3.5Å; L443-P518 HydrophobicContact CG-CG 4.34Å; Y448-P518 HydrophobicContact CE2-CG 4.48Å; Y448-P518 WeakPolarHBondContact OH-CB 3.46Å; Y516-P518 HydrophobicContact CD1-CG 4.14Å; Y516-P518 HydrophobicContact CE1-CB 4.16Å; Y516-P518 HydrophobicContact CE1-CG 3.98Å; P518-D520 VanDerWaalsContact C-N 3.32Å; P518-D520 PolarHBondContact O-N 2.77Å; P518-N521 PolarHBondContact O-N 2.71Å
519	A	95.3	Very high	97.7	Very high	95 Å²	95	41.3 Å²	41.3	79%	0.785	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-39	-179.6	0	0	0	0	0	112.1	S517	S517-A519 VanDerWaalsContact C-N 3.25Å; S517-A519 PolarHBondContact O-N 3.31Å
520	D	95.9	Very high	97.7	Very high	111 Å²	111	44.3 Å²	44.3	59%	0.594	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-8.2	-177.6	-53.1	-58.5	0	0	0	112.9	S517 P518 S522	S517-D520 WeakPolarHBondContact CB-OD2 3.43Å; S517-D520 PolarHBondContact O-N 3.21Å; S517-D520 PolarHBondContact OG-N 3.38Å; S517-D520 PolarHBondContact OG-OD2 3.23Å; P518-D520 VanDerWaalsContact C-N 3.32Å; P518-D520 PolarHBondContact O-N 2.77Å; D520-S522 VanDerWaalsContact C-N 3.27Å; D520-S522 WeakPolarHBondContact CB-OG 3.41Å; D520-S522 PolarHBondContact O-N 3.37Å
521	N	97.6	Very high	97.7	Very high	77 Å²	77	44.7 Å²	44.7	41%	0.412	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	53.9	-168.6	-176.5	27.5	0	0	0	111.2	C475 A476 Y516 S517 P518	C475-N521 WeakPolarHBondContact CB-OD1 3.36Å; A476-N521 WeakPolarHBondContact CB-O 3.36Å; A476-N521 PolarHBondContact N-OD1 2.88Å; Y516-N521 PolarHBondContact OH-OD1 3.4Å; S517-N521 WeakPolarHBondContact O-CA 3.37Å; S517-N521 PolarHBondContact O-N 3.39Å; P518-N521 PolarHBondContact O-N 2.71Å
522	S	97.9	Very high	97.6	Very high	44 Å²	44	41.6 Å²	41.6	31%	0.308	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.4	-174.8	69.4	0	0	0	0	113.4	Y516 S517 D520	Y516-S522 WeakPolarHBondContact CA-O 3.33Å; Y516-S522 WeakPolarHBondContact CD2-O 3.31Å; S517-S522 PolarHBondContact N-O 2.75Å; S517-S522 PolarHBondContact O-N 3.28Å; D520-S522 VanDerWaalsContact C-N 3.27Å; D520-S522 WeakPolarHBondContact CB-OG 3.41Å; D520-S522 PolarHBondContact O-N 3.37Å
523	W	98.4	Very high	97.6	Very high	40 Å²	40	38.4 Å²	38.4	15%	0.152	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.7	177.6	-70.6	92.7	0	0	0	111.2	T450 T462 A476 E477 V496 A514 C515 Y516	T450-W523 HydrophobicContact CG2-CH2 3.77Å; T450-W523 HydrophobicContact CG2-CZ2 3.68Å; T462-W523 HydrophobicContact CG2-CZ2 4.21Å; A476-W523 PolarHBondContact O-NE1 3.11Å; E477-W523 PolarHBondContact O-NE1 3.38Å; V496-W523 HydrophobicContact CB-CH2 4.27Å; V496-W523 HydrophobicContact CB-CZ3 4.04Å; V496-W523 HydrophobicContact CG2-CH2 3.37Å; V496-W523 HydrophobicContact CG2-CZ2 4.45Å; V496-W523 HydrophobicContact CG2-CZ3 3.62Å; A514-W523 HydrophobicContact CB-CE3 3.87Å; A514-W523 HydrophobicContact CB-CZ3 4.46Å; C515-W523 CarbonylContact O-C 3.53Å; C515-W523 WeakPolarHBondContact O-CA 3.29Å; Y516-W523 AromaticContact CD2-CD1 3.98Å; Y516-W523 HydrophobicContact CD2-CD2 4.06Å; Y516-W523 AromaticContact CD2-CE2 3.69Å; Y516-W523 HydrophobicContact CD2-CG 4.23Å; Y516-W523 HydrophobicContact CD2-CZ2 4.1Å; Y516-W523 AromaticContact CD2-NE1 3.64Å; Y516-W523 HydrophobicContact CG-CD2 4.42Å; Y516-W523 HydrophobicContact CG-CH2 4.38Å; Y516-W523 HydrophobicContact CG-CZ2 4.09Å
524	S	97.8	Very high	97.4	Very high	54 Å²	54	38.4 Å²	38.4	38%	0.378	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.9	171.7	-63	0	0	0	0	109.6	A514 C515	A514-S524 CarbonylContact C-O 3.56Å; A514-S524 WeakPolarHBondContact CA-O 3.45Å; A514-S524 WeakPolarHBondContact CB-O 3.38Å; C515-S524 PolarHBondContact N-O 3.17Å; C515-S524 PolarHBondContact O-N 3.09Å
525	V	98.1	Very high	97.3	Very high	88 Å²	88	39.5 Å²	39.5	53%	0.533	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.6	175.1	177.7	0	0	0	0	109.1	P479 Q512	P479-V525 HydrophobicContact CB-CG2 4.49Å; Q512-V525 HydrophobicContact CG-CG1 3.86Å; Q512-V525 HydrophobicContact CG-CG2 4.39Å
526	V	98.4	Very high	97.3	Very high	21 Å²	21	40 Å²	40	13%	0.127	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-178	178.1	-59.1	0	0	0	0	110.2	V513 Y565 D570	V513-V526 HydrophobicContact CB-CG2 3.79Å; V513-V526 HydrophobicContact CG1-CG2 3.45Å; V513-V526 VanDerWaalsContact CG1-CG2 3.45Å; V513-V526 PolarHBondContact O-N 3.15Å; V526-Y565 WeakPolarHBondContact CB-OH 3.27Å; V526-Y565 WeakPolarHBondContact CG2-OH 3.48Å; V526-D570 WeakPolarHBondContact CB-OD1 3.41Å
527	T	98.5	Very high	97.3	Very high	47 Å²	47	39.7 Å²	39.7	29%	0.288	25%	0.249	S	C	.	.	S	Bend	trans	-53	125.6	-178.1	-63.1	0	0	0	0	111.4	D570 W572	T527-D570 WeakPolarHBondContact CB-O 3.41Å; T527-D570 WeakPolarHBondContact CB-OD1 3.12Å; T527-D570 PolarHBondContact N-OD1 2.82Å; T527-D570 PolarHBondContact N-OD2 2.94Å; T527-D570 VanDerWaalsContact OG1-CG 3.24Å; T527-D570 PolarHBondContact OG1-O 3.42Å; T527-D570 PolarHBondContact OG1-OD1 3.45Å; T527-D570 VanDerWaalsContact OG1-OD1 3.05Å; T527-D570 PolarHBondContact OG1-OD2 3.19Å; T527-W572 PolarHBondContact O-NE1 3.04Å
528	P	98.4	Very high	97.3	Very high	75 Å²	75	40.4 Å²	40.4	49%	0.487	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-68.9	156.2	-175.5	28.9	-36.1	0	0	0	112.4	L511 W572	L511-P528 CarbonylContact O-C 3.53Å; L511-P528 WeakPolarHBondContact O-CA 3.46Å; L511-P528 WeakPolarHBondContact O-CB 3.38Å; P528-W572 VanDerWaalsContact O-CD1 3.29Å; P528-W572 PolarHBondContact O-NE1 3.08Å; P528-W572 VanDerWaalsContact O-NE1 3.13Å
529	L	97.9	Very high	97.4	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-58.9	139.2	175	-90.5	170.8	0	0	0	111.8	I497 G498 L511 V513 A531 H533 W572	I497-L529 HydrophobicContact CG2-CD1 3.66Å; I497-L529 HydrophobicContact CG2-CD2 3.96Å; I497-L529 HydrophobicContact CG2-CG 3.9Å; G498-L529 VanDerWaalsContact N-CD1 3.34Å; L511-L529 HydrophobicContact CB-CB 4.5Å; L511-L529 HydrophobicContact CD2-CB 4.3Å; L511-L529 PolarHBondContact O-N 3.16Å; V513-L529 HydrophobicContact CG2-CB 4.39Å; V513-L529 HydrophobicContact CG2-CD1 4.4Å; V513-L529 HydrophobicContact CG2-CG 3.83Å; L529-A531 VanDerWaalsContact C-N 3.3Å; L529-A531 PolarHBondContact O-N 2.83Å; L529-H533 HydrophobicContact CD1-CB 4.38Å; L529-W572 HydrophobicContact CD2-CD2 4.44Å; L529-W572 HydrophobicContact CD2-CE3 4.19Å; L529-W572 HydrophobicContact CD2-CH2 3.25Å; L529-W572 HydrophobicContact CD2-CZ2 3.6Å; L529-W572 HydrophobicContact CD2-CZ3 3.57Å; L529-W572 HydrophobicContact CG-CH2 4.03Å; L529-W572 HydrophobicContact CG-CZ2 3.95Å
530	P	97.5	Very high	97.6	Very high	77 Å²	77	37 Å²	37	50%	0.5	22%	0.222	S	C	.	.	S	Bend	trans	-66.3	-28	175.6	-22.7	33.2	0	0	0	114.3	W572	P530-W572 HydrophobicContact CG-CB 3.77Å; P530-W572 HydrophobicContact CG-CD2 4.37Å; P530-W572 HydrophobicContact CG-CG 3.92Å
531	A	96.9	Very high	97.6	Very high	16 Å²	16	33.3 Å²	33.3	13%	0.132	20%	0.203	C	C	.	.	S	Bend	trans	-156.7	166.2	175	0	0	0	0	0	112	L511 L529 H533 Y561	L511-A531 VanDerWaalsContact CD2-C 3.48Å; L529-A531 VanDerWaalsContact C-N 3.3Å; L529-A531 PolarHBondContact O-N 2.83Å; A531-H533 PolarHBondContact O-CD2 3.11Å; A531-Y561 HydrophobicContact CB-CE1 4.26Å; A531-Y561 HydrophobicContact CB-CE2 4.06Å; A531-Y561 WeakPolarHBondContact CB-OH 3.42Å
532	G	96.8	Very high	97.5	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	21%	0.214	C	C	.	.			trans	-70	124.9	-172.7	0	0	0	0	0	115.6	Y561	G532-Y561 PolarHBondContact N-OH 3.35Å; G532-Y561 PolarHBondContact O-OH 3.06Å
533	H	97.6	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.208	C	C	.	.			trans	-122.7	90.5	178.8	-85	-84.2	0	0	0	110.6	G499 L529 A531 P536 I547 G549 Y561 H563	G499-H533 PolarHBondContact N-O 3.29Å; L529-H533 HydrophobicContact CD1-CB 4.38Å; A531-H533 PolarHBondContact O-CD2 3.11Å; H533-P536 HydrophobicContact CB-CB 4.15Å; H533-P536 HydrophobicContact CB-CG 4.36Å; H533-I547 HydrophobicContact CB-CG2 3.74Å; H533-I547 PolarHBondContact CE1-O 3.15Å; H533-I547 VanDerWaalsContact CG-CG2 3.41Å; H533-I547 WeakPolarHBondContact ND1-CG2 3.36Å; H533-G549 PolarHBondContact CE1-O 3.38Å; H533-G549 VanDerWaalsContact CE1-O 3.26Å; H533-G549 PolarHBondContact ND1-O 3.29Å; H533-Y561 AromaticContact CD2-CE2 3.67Å; H533-Y561 AromaticContact CE1-CD2 3.49Å; H533-Y561 VanDerWaalsContact CE1-CD2 3.49Å; H533-Y561 WeakPolarHBondContact CE1-CD2 3.39Å; H533-Y561 AromaticContact CE1-CE2 3.48Å; H533-Y561 VanDerWaalsContact CE1-CE2 3.48Å; H533-Y561 WeakPolarHBondContact CE1-CE2 3.23Å; H533-Y561 AromaticContact NE2-CD2 3.35Å; H533-Y561 VanDerWaalsContact NE2-CD2 3.35Å; H533-Y561 WeakPolarHBondContact NE2-CD2 3.32Å; H533-Y561 AromaticContact NE2-CE2 3.24Å; H533-Y561 WeakPolarHBondContact NE2-CE2 3.48Å; H533-H563 AromaticContact CD2-ND1 3.5Å; H533-H563 PolarHBondContact CD2-ND1 2.84Å; H533-H563 AromaticContact NE2-CE1 3.82Å; H533-H563 AromaticContact NE2-CG 3.67Å; H533-H563 AromaticContact NE2-ND1 2.99Å; H533-H563 PolarHBondContact NE2-ND1 2.84Å
534	G	95.4	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-97.5	139.7	169.3	0	0	0	0	0	111.9	P536 G550 R551	G534-P536 VanDerWaalsContact C-CD 3.41Å; G534-P536 VanDerWaalsContact C-N 3.33Å; G534-G550 CarbonylContact O-C 3.43Å; G534-G550 WeakPolarHBondContact O-CA 3.32Å; G534-R551 WeakPolarHBondContact CA-O 3.45Å; G534-R551 PolarHBondContact N-O 2.95Å; G534-R551 PolarHBondContact O-N 3Å
535	E	95.9	Very high	97.4	Very high	22 Å²	22	29.3 Å²	29.3	10%	0.103	19%	0.193	C	C	.	.	S	Bend	trans	53	43.2	-172.3	-50	166	162.2	0	0	113	W484 S583 G584	W484-E535 HydrophobicContact CB-CG 3.81Å; W484-E535 HydrophobicContact CG-CG 3.89Å; W484-E535 PolarHBondContact O-N 3.37Å; E535-S583 WeakPolarHBondContact OE2-CB 3.37Å; E535-S583 PolarHBondContact OE2-OG 2.92Å; E535-G584 PolarHBondContact O-N 2.89Å
536	P	97.4	Very high	97.5	Very high	15 Å²	15	25.8 Å²	25.8	10%	0.097	17%	0.17	C	C	.	.			trans	-75.5	154.5	-178.1	34.2	-35	0	0	0	111.4	W484 H533 G534 V538 I547	W484-P536 WeakPolarHBondContact O-CD 3.48Å; H533-P536 HydrophobicContact CB-CB 4.15Å; H533-P536 HydrophobicContact CB-CG 4.36Å; G534-P536 VanDerWaalsContact C-CD 3.41Å; G534-P536 VanDerWaalsContact C-N 3.33Å; P536-V538 HydrophobicContact CG-CG2 4.24Å; P536-I547 HydrophobicContact CB-CG2 3.61Å; P536-I547 HydrophobicContact CG-CG2 4.1Å
537	G	97.9	Very high	97.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	140.3	155.7	0	0	0	0	0	109.5	L548 L585	G537-L548 PolarHBondContact N-O 2.78Å; G537-L548 WeakPolarHBondContact O-CB 3.39Å; G537-L548 PolarHBondContact O-N 2.91Å; G537-L585 VanDerWaalsContact CA-O 3.26Å; G537-L585 WeakPolarHBondContact CA-O 3.39Å
538	V	98.3	Very high	97.4	Very high	28 Å²	28	22.5 Å²	22.5	17%	0.17	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.7	176.9	-177.3	0	0	0	0	109.6	A488 P536 I545 Y546 I547 A587	A488-V538 HydrophobicContact CB-CG1 4.1Å; P536-V538 HydrophobicContact CG-CG2 4.24Å; V538-I545 HydrophobicContact CG1-CG2 3.95Å; V538-Y546 WeakPolarHBondContact CA-O 3.47Å; V538-I547 HydrophobicContact CG1-CD1 4.19Å; V538-I547 HydrophobicContact CG2-CD1 4.05Å; V538-A587 CarbonylContact O-C 3.48Å; V538-A587 VanDerWaalsContact O-O 3.06Å
539	A	98.3	Very high	97.4	Very high	3 Å²	3	19 Å²	19	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.9	175.5	0	0	0	0	0	110.3	I298 Y546 A587 V589	I298-A539 HydrophobicContact CD1-CB 4.43Å; I298-A539 HydrophobicContact CG1-CB 4.31Å; I298-A539 HydrophobicContact CG2-CB 3.65Å; A539-Y546 PolarHBondContact N-O 2.93Å; A539-Y546 PolarHBondContact O-N 3.41Å; A539-A587 HydrophobicContact CB-CB 4.45Å; A539-V589 HydrophobicContact CB-CG2 4.06Å
540	V	98.1	Very high	97.3	Very high	51 Å²	51	18.7 Å²	18.7	31%	0.309	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.3	178.9	178.2	0	0	0	0	108.9	A488 V490 L544 I545 V589	A488-V540 HydrophobicContact CB-CG2 3.61Å; V490-V540 HydrophobicContact CG2-CB 4.46Å; V490-V540 HydrophobicContact CG2-CG1 3.61Å; V490-V540 HydrophobicContact CG2-CG2 3.92Å; V540-L544 WeakPolarHBondContact CA-O 3.43Å; V540-I545 HydrophobicContact CG2-CG1 4.44Å; V540-V589 WeakPolarHBondContact O-CG2 3.42Å
541	L	97.1	Very high	97.2	Very high	34 Å²	34	18.1 Å²	18.1	18%	0.178	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.4	176	-175.7	66.5	0	0	0	108.9	N296 P322 S543 L544 Y546 V589	N296-L541 HydrophobicContact CB-CD1 3.68Å; P322-L541 HydrophobicContact CG-CD2 3.58Å; L541-S543 PolarHBondContact O-N 2.96Å; L541-L544 PolarHBondContact N-O 2.81Å; L541-L544 WeakPolarHBondContact O-CB 3.34Å; L541-L544 PolarHBondContact O-N 3.03Å; L541-L544 VanDerWaalsContact O-N 3.15Å; L541-Y546 HydrophobicContact CB-CD2 4.39Å; L541-Y546 HydrophobicContact CB-CE2 3.96Å; L541-Y546 HydrophobicContact CD2-CE2 4.44Å; L541-V589 HydrophobicContact CB-CG2 4.31Å; L541-V589 HydrophobicContact CD1-CG1 3.91Å
542	G	94.9	Very high	97.2	Very high	64 Å²	64	17.4 Å²	17.4	66%	0.66	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	-128.5	-171	0	0	0	0	0	111.6	L544	G542-L544 VanDerWaalsContact C-N 3.31Å
543	S	95.9	Very high	97	Very high	26 Å²	26	18.4 Å²	18.4	18%	0.182	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.2	176.2	58.8	0	0	0	0	113.9	L541 T567	L541-S543 PolarHBondContact O-N 2.96Å; S543-T567 WeakPolarHBondContact O-CB 3.27Å; S543-T567 WeakPolarHBondContact O-CG2 3.41Å; S543-T567 PolarHBondContact O-N 3.4Å; S543-T567 PolarHBondContact O-OG1 2.9Å
544	L	98.3	Very high	96.9	Very high	40 Å²	40	22.6 Å²	22.6	21%	0.209	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.4	-176	-55.7	-178.4	0	0	0	111.7	V540 L541 G542 Y546 V564 Y565 N566	V540-L544 WeakPolarHBondContact CA-O 3.43Å; L541-L544 PolarHBondContact N-O 2.81Å; L541-L544 WeakPolarHBondContact O-CB 3.34Å; L541-L544 PolarHBondContact O-N 3.03Å; L541-L544 VanDerWaalsContact O-N 3.15Å; G542-L544 VanDerWaalsContact C-N 3.31Å; L544-Y546 HydrophobicContact CB-CD2 4.34Å; L544-Y546 HydrophobicContact CB-CE2 3.81Å; L544-Y546 HydrophobicContact CD1-CE2 4.34Å; L544-V564 HydrophobicContact CB-CG1 3.89Å; L544-V564 HydrophobicContact CD1-CG1 4.1Å; L544-V564 HydrophobicContact CD2-CG1 4.4Å; L544-V564 HydrophobicContact CG-CG1 4.36Å; L544-Y565 WeakPolarHBondContact CA-O 3.48Å; L544-N566 HydrophobicContact CD2-CB 3.74Å
545	I	98.7	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.2	172.3	-52	172.1	0	0	0	108.8	A488 V490 Y495 I497 V538 V540 I547 V564 Y565 T567	A488-I545 HydrophobicContact CB-CD1 4Å; A488-I545 HydrophobicContact CB-CG1 4.26Å; A488-I545 HydrophobicContact CB-CG2 3.98Å; V490-I545 HydrophobicContact CG2-CD1 3.84Å; V490-I545 HydrophobicContact CG2-CG1 3.67Å; Y495-I545 HydrophobicContact CD1-CD1 4.36Å; Y495-I545 HydrophobicContact CD2-CD1 3.85Å; Y495-I545 HydrophobicContact CE2-CD1 4.49Å; Y495-I545 HydrophobicContact CG-CD1 3.78Å; I497-I545 HydrophobicContact CD1-CB 4.44Å; I497-I545 HydrophobicContact CD1-CD1 3.97Å; I497-I545 HydrophobicContact CD1-CG2 3.86Å; V538-I545 HydrophobicContact CG1-CG2 3.95Å; V540-I545 HydrophobicContact CG2-CG1 4.44Å; I545-I547 HydrophobicContact CG2-CD1 3.78Å; I545-V564 WeakPolarHBondContact O-CA 3.39Å; I545-Y565 HydrophobicContact CD1-CD1 4.19Å; I545-Y565 PolarHBondContact N-O 3.08Å; I545-Y565 PolarHBondContact O-N 2.7Å; I545-T567 HydrophobicContact CD1-CG2 3.7Å; I545-T567 HydrophobicContact CG1-CG2 3.94Å
546	Y	98.7	Very high	96.6	Very high	14 Å²	14	33 Å²	33	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.1	176.5	-72.3	-106.8	0	0	0	110	I298 Y320 V538 A539 L541 L544 V562 V564	I298-Y546 HydrophobicContact CD1-CD1 3.45Å; I298-Y546 VanDerWaalsContact CD1-CD1 3.45Å; I298-Y546 HydrophobicContact CD1-CD2 3.59Å; I298-Y546 HydrophobicContact CD1-CE1 3.76Å; I298-Y546 HydrophobicContact CD1-CE2 3.89Å; I298-Y546 HydrophobicContact CD1-CG 3.37Å; Y320-Y546 HydrophobicContact CE1-CE1 4.04Å; V538-Y546 WeakPolarHBondContact CA-O 3.47Å; A539-Y546 PolarHBondContact N-O 2.93Å; A539-Y546 PolarHBondContact O-N 3.41Å; L541-Y546 HydrophobicContact CB-CD2 4.39Å; L541-Y546 HydrophobicContact CB-CE2 3.96Å; L541-Y546 HydrophobicContact CD2-CE2 4.44Å; L544-Y546 HydrophobicContact CB-CD2 4.34Å; L544-Y546 HydrophobicContact CB-CE2 3.81Å; L544-Y546 HydrophobicContact CD1-CE2 4.34Å; Y546-V562 HydrophobicContact CD1-CG1 4.13Å; Y546-V564 HydrophobicContact CD1-CG1 4.37Å; Y546-V564 HydrophobicContact CD1-CG2 3.59Å; Y546-V564 HydrophobicContact CD2-CG1 4.22Å; Y546-V564 HydrophobicContact CE1-CB 4.49Å; Y546-V564 HydrophobicContact CE1-CG1 4.12Å; Y546-V564 HydrophobicContact CE1-CG2 3.52Å; Y546-V564 HydrophobicContact CE2-CG1 3.96Å; Y546-V564 HydrophobicContact CG-CG1 4.41Å; Y546-V564 HydrophobicContact CG-CG2 4.27Å
547	I	98.6	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.4	175.2	-47.4	-62	0	0	0	108.5	I497 H533 P536 V538 I545 V562 H563 W572	I497-I547 HydrophobicContact CB-CD1 4.14Å; I497-I547 HydrophobicContact CD1-CD1 3.86Å; I497-I547 HydrophobicContact CG2-CD1 3.68Å; I497-I547 HydrophobicContact CG2-CG1 3.81Å; H533-I547 HydrophobicContact CB-CG2 3.74Å; H533-I547 PolarHBondContact CE1-O 3.15Å; H533-I547 VanDerWaalsContact CG-CG2 3.41Å; H533-I547 WeakPolarHBondContact ND1-CG2 3.36Å; P536-I547 HydrophobicContact CB-CG2 3.61Å; P536-I547 HydrophobicContact CG-CG2 4.1Å; V538-I547 HydrophobicContact CG1-CD1 4.19Å; V538-I547 HydrophobicContact CG2-CD1 4.05Å; I545-I547 HydrophobicContact CG2-CD1 3.78Å; I547-V562 WeakPolarHBondContact O-CA 3.49Å; I547-H563 PolarHBondContact N-O 3.17Å; I547-H563 PolarHBondContact O-N 3.35Å; I547-W572 HydrophobicContact CG1-CH2 4.06Å; I547-W572 HydrophobicContact CG1-CZ3 4Å
548	L	98.1	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.5	-163.9	-51.4	-175.4	0	0	0	111.4	I298 W327 G537 G550 V562 F578 L585 A587	I298-L548 HydrophobicContact CG2-CD1 3.87Å; W327-L548 HydrophobicContact CH2-CD1 3.74Å; W327-L548 HydrophobicContact CH2-CD2 3.87Å; W327-L548 HydrophobicContact CH2-CG 4.44Å; W327-L548 HydrophobicContact CZ2-CD1 4.37Å; W327-L548 HydrophobicContact CZ2-CD2 3.68Å; G537-L548 PolarHBondContact N-O 2.78Å; G537-L548 WeakPolarHBondContact O-CB 3.39Å; G537-L548 PolarHBondContact O-N 2.91Å; L548-G550 PolarHBondContact O-N 2.93Å; L548-V562 HydrophobicContact CD2-CB 4.35Å; L548-V562 HydrophobicContact CD2-CG1 3.62Å; L548-V562 HydrophobicContact CD2-CG2 3.82Å; L548-F578 HydrophobicContact CB-CE2 3.85Å; L548-F578 HydrophobicContact CB-CZ 3.97Å; L548-F578 HydrophobicContact CD1-CZ 4.39Å; L548-L585 HydrophobicContact CB-CD2 3.98Å; L548-L585 HydrophobicContact CD1-CD2 4.09Å; L548-A587 HydrophobicContact CD1-CB 3.59Å
549	G	96.9	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.			trans	66.6	-117.6	169	0	0	0	0	0	113.5	H533 Y561 I582	H533-G549 PolarHBondContact CE1-O 3.38Å; H533-G549 VanDerWaalsContact CE1-O 3.26Å; H533-G549 PolarHBondContact ND1-O 3.29Å; G549-Y561 PolarHBondContact N-O 2.98Å; G549-Y561 VanDerWaalsContact N-O 3.17Å; G549-I582 CarbonylContact C-O 3.57Å
550	G	96.2	Very high	96.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.			trans	80	-169.9	-177.9	0	0	0	0	0	114.8	G534 L548 R558 M559 I582	G534-G550 CarbonylContact O-C 3.43Å; G534-G550 WeakPolarHBondContact O-CA 3.32Å; L548-G550 PolarHBondContact O-N 2.93Å; G550-R558 CarbonylContact O-C 3.54Å; G550-R558 WeakPolarHBondContact O-CA 3.47Å; G550-M559 WeakPolarHBondContact O-CB 3.39Å; G550-M559 PolarHBondContact O-N 2.94Å; G550-I582 CarbonylContact C-O 3.58Å; G550-I582 WeakPolarHBondContact CA-O 3.28Å; G550-I582 PolarHBondContact N-O 3.35Å
551	R	95	Very high	96	Very high	64 Å²	64	41 Å²	41	24%	0.242	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.4	179.8	-179.2	173.2	-65.6	172.5	7.1	109.4	G534 N557	G534-R551 WeakPolarHBondContact CA-O 3.45Å; G534-R551 PolarHBondContact N-O 2.95Å; G534-R551 PolarHBondContact O-N 3Å; R551-N557 WeakPolarHBondContact CA-O 3.4Å; R551-N557 WeakPolarHBondContact CG-O 3.39Å
552	S	96.5	Very high	96.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.9	164.4	160.8	0	0	0	0	108.2	D509 K555 S556 N557	D509-S552 WeakPolarHBondContact OD1-CA 3.45Å; D509-S552 WeakPolarHBondContact OD2-CA 3.35Å; D509-S552 VanDerWaalsContact OD2-CB 3.26Å; D509-S552 WeakPolarHBondContact OD2-CB 3.48Å; D509-S552 PolarHBondContact OD2-OG 3.23Å; S552-K555 WeakPolarHBondContact OG-CB 3.16Å; S552-K555 WeakPolarHBondContact OG-CG 3.26Å; S552-K555 PolarHBondContact OG-N 3.25Å; S552-K555 VanDerWaalsContact OG-N 3.14Å; S552-S556 WeakPolarHBondContact O-CA 3.22Å; S552-S556 PolarHBondContact O-N 3.09Å; S552-N557 PolarHBondContact N-O 2.99Å; S552-N557 PolarHBondContact O-N 3.4Å; S552-N557 VanDerWaalsContact O-N 3.07Å
553	H	94.2	Very high	96.2	Very high	24 Å²	24	37.2 Å²	37.2	11%	0.111	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.8	176.9	-69.9	-75.1	0	0	0	111.6	S500 R507 D509 K555 S556	S500-H553 VanDerWaalsContact CB-CD2 3.47Å; S500-H553 WeakPolarHBondContact CB-CD2 3.34Å; R507-H553 VanDerWaalsContact CD-CE1 3.49Å; R507-H553 WeakPolarHBondContact CD-CE1 3.37Å; R507-H553 HydrophobicContact CG-CB 4.32Å; R507-H553 PolarHBondContact NE-CE1 3.36Å; R507-H553 PolarHBondContact NE-NE2 2.72Å; R507-H553 VanDerWaalsContact NE-NE2 3.15Å; R507-H553 PolarHBondContact NH2-CE1 3.45Å; R507-H553 PolarHBondContact NH2-NE2 2.87Å; D509-H553 IonicContact OD1-CD2 3.35Å; D509-H553 IonicContact OD1-CG 3.57Å; D509-H553 PolarHBondContact OD1-N 3.44Å; D509-H553 PolarHBondContact OD2-N 3.05Å; H553-K555 VanDerWaalsContact C-N 3.28Å; H553-K555 PolarHBondContact O-N 3.28Å; H553-S556 PolarHBondContact O-N 3.1Å; H553-S556 VanDerWaalsContact O-N 3.08Å; H553-S556 PolarHBondContact O-OG 3.41Å
554	D	94.7	Very high	96.4	Very high	88 Å²	88	36.3 Å²	36.3	47%	0.471	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-35.3	176.1	-66.3	-9	0	0	0	111.3	R508 D509	R508-D554 WeakPolarHBondContact CD-OD1 3.43Å; D509-D554 PolarHBondContact N-OD1 2.89Å; D509-D554 WeakPolarHBondContact OD2-CB 3.44Å; D509-D554 PolarHBondContact OD2-N 3.01Å
555	K	93.6	Very high	96.4	Very high	133 Å²	133	34.5 Å²	34.5	58%	0.578	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.7	173.6	-62.8	178.3	-178.8	175.5	0	113.5	S552 H553 N557 M559	S552-K555 WeakPolarHBondContact OG-CB 3.16Å; S552-K555 WeakPolarHBondContact OG-CG 3.26Å; S552-K555 PolarHBondContact OG-N 3.25Å; S552-K555 VanDerWaalsContact OG-N 3.14Å; H553-K555 VanDerWaalsContact C-N 3.28Å; H553-K555 PolarHBondContact O-N 3.28Å; K555-N557 PolarHBondContact O-N 3.31Å; K555-M559 HydrophobicContact CB-CE 3.81Å; K555-M559 HydrophobicContact CD-CE 4.12Å; K555-M559 HydrophobicContact CD-SD 4.15Å
556	S	92.2	Very high	96.4	Very high	108 Å²	108	36.2 Å²	36.2	76%	0.755	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	41	-176.3	-66.5	0	0	0	0	114.1	S552 H553	S552-S556 WeakPolarHBondContact O-CA 3.22Å; S552-S556 PolarHBondContact O-N 3.09Å; H553-S556 PolarHBondContact O-N 3.1Å; H553-S556 VanDerWaalsContact O-N 3.08Å; H553-S556 PolarHBondContact O-OG 3.41Å
557	N	94.3	Very high	96.3	Very high	62 Å²	62	36.3 Å²	36.3	33%	0.332	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	161	-174.6	-164.7	-1	0	0	0	111.7	R551 S552 K555 M559	R551-N557 WeakPolarHBondContact CA-O 3.4Å; R551-N557 WeakPolarHBondContact CG-O 3.39Å; S552-N557 PolarHBondContact N-O 2.99Å; S552-N557 PolarHBondContact O-N 3.4Å; S552-N557 VanDerWaalsContact O-N 3.07Å; K555-N557 PolarHBondContact O-N 3.31Å; N557-M559 HydrophobicContact CB-CE 3.54Å; N557-M559 WeakPolarHBondContact O-CE 3.38Å
558	R	94.9	Very high	96.2	Very high	54 Å²	54	43.1 Å²	43.1	20%	0.204	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	152.6	166.4	-63.7	-176.5	-176.4	86	-3.6	110.5	M304 G550 R581 S583	M304-R558 WeakPolarHBondContact O-CD 3.41Å; M304-R558 PolarHBondContact O-NE 2.94Å; G550-R558 CarbonylContact O-C 3.54Å; G550-R558 WeakPolarHBondContact O-CA 3.47Å; R558-R581 HydrophobicContact CB-CB 3.69Å; R558-R581 WeakPolarHBondContact O-CB 3.5Å; R558-R581 VanDerWaalsContact O-CD 3.27Å; R558-R581 WeakPolarHBondContact O-CD 3.49Å; R558-R581 WeakPolarHBondContact O-CG 3.44Å; R558-R581 PolarHBondContact O-NH1 2.8Å; R558-S583 PolarHBondContact NE-OG 3.06Å
559	M	95.4	Very high	96.1	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.03	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-117.1	150.7	-167.9	-60.3	-64.8	128.9	0	0	110.2	G550 K555 N557 Y561 R581 I582	G550-M559 WeakPolarHBondContact O-CB 3.39Å; G550-M559 PolarHBondContact O-N 2.94Å; K555-M559 HydrophobicContact CB-CE 3.81Å; K555-M559 HydrophobicContact CD-CE 4.12Å; K555-M559 HydrophobicContact CD-SD 4.15Å; N557-M559 HydrophobicContact CB-CE 3.54Å; N557-M559 WeakPolarHBondContact O-CE 3.38Å; M559-Y561 HydrophobicContact CB-CD1 4.02Å; M559-Y561 HydrophobicContact CB-CD2 4.46Å; M559-Y561 HydrophobicContact CB-CE1 3.63Å; M559-Y561 HydrophobicContact CB-CE2 4.09Å; M559-Y561 HydrophobicContact CB-CG 4.43Å; M559-Y561 HydrophobicContact CG-CD1 4.42Å; M559-Y561 HydrophobicContact CG-CE1 3.56Å; M559-Y561 HydrophobicContact CG-CE2 4.33Å; M559-Y561 WeakPolarHBondContact CG-OH 3.36Å; M559-Y561 HydrophobicContact SD-CD1 4.18Å; M559-Y561 HydrophobicContact SD-CE1 3.27Å; M559-Y561 WeakPolarHBondContact SD-CE1 3.42Å; M559-R581 WeakPolarHBondContact O-CA 3.33Å; M559-I582 PolarHBondContact O-N 3.31Å; M559-I582 VanDerWaalsContact O-N 3.11Å
560	K	95.6	Very high	96.2	Very high	103 Å²	103	48.2 Å²	48.2	45%	0.448	25%	0.246	S	C	.	.			trans	-106.3	-17.5	176.1	64.9	170.1	-175.7	170.8	0	112.8	A577 F578 R581	K560-A577 HydrophobicContact CD-CB 4.43Å; K560-A577 HydrophobicContact CG-CB 4.34Å; K560-A577 CarbonylContact O-C 3.6Å; K560-A577 VanDerWaalsContact O-CA 3.27Å; K560-A577 WeakPolarHBondContact O-CA 3.29Å; K560-A577 WeakPolarHBondContact O-CB 3.46Å; K560-F578 HydrophobicContact CB-CB 4.46Å; K560-F578 WeakPolarHBondContact CB-O 3.38Å; K560-F578 PolarHBondContact O-N 3.31Å; K560-R581 HydrophobicContact CB-CG 4.47Å
561	Y	96.4	Very high	96.2	Very high	40 Å²	40	53.2 Å²	53.2	16%	0.157	27%	0.272	C	S	.	.			trans	-71.8	147.7	-172.8	48.8	-106.4	0	0	0	110.9	A531 G532 H533 G549 M559 H563	A531-Y561 HydrophobicContact CB-CE1 4.26Å; A531-Y561 HydrophobicContact CB-CE2 4.06Å; A531-Y561 WeakPolarHBondContact CB-OH 3.42Å; G532-Y561 PolarHBondContact N-OH 3.35Å; G532-Y561 PolarHBondContact O-OH 3.06Å; H533-Y561 AromaticContact CD2-CE2 3.67Å; H533-Y561 AromaticContact CE1-CD2 3.49Å; H533-Y561 VanDerWaalsContact CE1-CD2 3.49Å; H533-Y561 WeakPolarHBondContact CE1-CD2 3.39Å; H533-Y561 AromaticContact CE1-CE2 3.48Å; H533-Y561 VanDerWaalsContact CE1-CE2 3.48Å; H533-Y561 WeakPolarHBondContact CE1-CE2 3.23Å; H533-Y561 AromaticContact NE2-CD2 3.35Å; H533-Y561 VanDerWaalsContact NE2-CD2 3.35Å; H533-Y561 WeakPolarHBondContact NE2-CD2 3.32Å; H533-Y561 AromaticContact NE2-CE2 3.24Å; H533-Y561 WeakPolarHBondContact NE2-CE2 3.48Å; G549-Y561 PolarHBondContact N-O 2.98Å; G549-Y561 VanDerWaalsContact N-O 3.17Å; M559-Y561 HydrophobicContact CB-CD1 4.02Å; M559-Y561 HydrophobicContact CB-CD2 4.46Å; M559-Y561 HydrophobicContact CB-CE1 3.63Å; M559-Y561 HydrophobicContact CB-CE2 4.09Å; M559-Y561 HydrophobicContact CB-CG 4.43Å; M559-Y561 HydrophobicContact CG-CD1 4.42Å; M559-Y561 HydrophobicContact CG-CE1 3.56Å; M559-Y561 HydrophobicContact CG-CE2 4.33Å; M559-Y561 WeakPolarHBondContact CG-OH 3.36Å; M559-Y561 HydrophobicContact SD-CD1 4.18Å; M559-Y561 HydrophobicContact SD-CE1 3.27Å; M559-Y561 WeakPolarHBondContact SD-CE1 3.42Å; Y561-H563 AromaticContact CD2-CE1 3.42Å; Y561-H563 VanDerWaalsContact CD2-CE1 3.42Å; Y561-H563 WeakPolarHBondContact CD2-CE1 3.35Å; Y561-H563 AromaticContact CD2-ND1 3.78Å; Y561-H563 AromaticContact CD2-NE2 3.95Å; Y561-H563 AromaticContact CE2-CE1 3.64Å; Y561-H563 AromaticContact CE2-ND1 3.97Å
562	V	98.1	Very high	96.4	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.4	169.9	172.9	0	0	0	0	107	W327 Y546 I547 L548 V564 G575 T576 F578	W327-V562 HydrophobicContact CZ2-CG2 4.1Å; Y546-V562 HydrophobicContact CD1-CG1 4.13Å; I547-V562 WeakPolarHBondContact O-CA 3.49Å; L548-V562 HydrophobicContact CD2-CB 4.35Å; L548-V562 HydrophobicContact CD2-CG1 3.62Å; L548-V562 HydrophobicContact CD2-CG2 3.82Å; V562-V564 HydrophobicContact CG1-CG2 4.26Å; V562-G575 PolarHBondContact O-N 2.91Å; V562-T576 WeakPolarHBondContact CB-O 3.18Å; V562-T576 WeakPolarHBondContact CG2-O 2.97Å; V562-F578 HydrophobicContact CG2-CD2 4.35Å; V562-F578 HydrophobicContact CG2-CE2 4.12Å
563	H	98.6	Very high	96.5	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.3	171.8	-66.5	140.4	0	0	0	109.1	H533 I547 Y561 W572	H533-H563 AromaticContact CD2-ND1 3.5Å; H533-H563 PolarHBondContact CD2-ND1 2.84Å; H533-H563 AromaticContact NE2-CE1 3.82Å; H533-H563 AromaticContact NE2-CG 3.67Å; H533-H563 AromaticContact NE2-ND1 2.99Å; H533-H563 PolarHBondContact NE2-ND1 2.84Å; I547-H563 PolarHBondContact N-O 3.17Å; I547-H563 PolarHBondContact O-N 3.35Å; Y561-H563 AromaticContact CD2-CE1 3.42Å; Y561-H563 VanDerWaalsContact CD2-CE1 3.42Å; Y561-H563 WeakPolarHBondContact CD2-CE1 3.35Å; Y561-H563 AromaticContact CD2-ND1 3.78Å; Y561-H563 AromaticContact CD2-NE2 3.95Å; Y561-H563 AromaticContact CE2-CE1 3.64Å; Y561-H563 AromaticContact CE2-ND1 3.97Å; H563-W572 HydrophobicContact CB-CE3 3.68Å; H563-W572 HydrophobicContact CB-CZ3 3.76Å
564	V	98.6	Very high	96.6	Very high	8 Å²	8	61.3 Å²	61.3	5%	0.048	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122	-178.3	-170.7	0	0	0	0	108.1	L544 I545 Y546 V562 W572 E573	L544-V564 HydrophobicContact CB-CG1 3.89Å; L544-V564 HydrophobicContact CD1-CG1 4.1Å; L544-V564 HydrophobicContact CD2-CG1 4.4Å; L544-V564 HydrophobicContact CG-CG1 4.36Å; I545-V564 WeakPolarHBondContact O-CA 3.39Å; Y546-V564 HydrophobicContact CD1-CG1 4.37Å; Y546-V564 HydrophobicContact CD1-CG2 3.59Å; Y546-V564 HydrophobicContact CD2-CG1 4.22Å; Y546-V564 HydrophobicContact CE1-CB 4.49Å; Y546-V564 HydrophobicContact CE1-CG1 4.12Å; Y546-V564 HydrophobicContact CE1-CG2 3.52Å; Y546-V564 HydrophobicContact CE2-CG1 3.96Å; Y546-V564 HydrophobicContact CG-CG1 4.41Å; Y546-V564 HydrophobicContact CG-CG2 4.27Å; V562-V564 HydrophobicContact CG1-CG2 4.26Å; V564-W572 CarbonylContact O-C 3.58Å; V564-W572 WeakPolarHBondContact O-CA 3.48Å; V564-E573 HydrophobicContact CB-CB 4.49Å; V564-E573 PolarHBondContact N-O 2.98Å; V564-E573 PolarHBondContact O-N 3.29Å
565	Y	98.8	Very high	96.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.4	178.1	-175.6	-115.9	0	0	0	110.5	Y495 V526 L544 I545 T567 D570 W572	Y495-Y565 AromaticContact CD1-CE1 3.92Å; Y495-Y565 HydrophobicContact CD1-CE1 3.92Å; Y495-Y565 HydrophobicContact CE1-CD1 4.48Å; Y495-Y565 AromaticContact CE1-CE1 3.6Å; Y495-Y565 HydrophobicContact CE1-CE1 3.6Å; V526-Y565 WeakPolarHBondContact CB-OH 3.27Å; V526-Y565 WeakPolarHBondContact CG2-OH 3.48Å; L544-Y565 WeakPolarHBondContact CA-O 3.48Å; I545-Y565 HydrophobicContact CD1-CD1 4.19Å; I545-Y565 PolarHBondContact N-O 3.08Å; I545-Y565 PolarHBondContact O-N 2.7Å; Y565-T567 HydrophobicContact CD1-CG2 3.76Å; Y565-T567 HydrophobicContact CE1-CG2 3.85Å; Y565-D570 VanDerWaalsContact CE2-OD1 3.3Å; Y565-D570 WeakPolarHBondContact CE2-OD1 3.42Å; Y565-D570 VanDerWaalsContact CZ-OD1 3.31Å; Y565-D570 PolarHBondContact OH-OD1 2.99Å; Y565-W572 VanDerWaalsContact CB-CZ3 3.5Å; Y565-W572 AromaticContact CD2-CD2 3.78Å; Y565-W572 HydrophobicContact CD2-CD2 3.78Å; Y565-W572 AromaticContact CD2-CE2 3.39Å; Y565-W572 HydrophobicContact CD2-CE3 4.32Å; Y565-W572 HydrophobicContact CD2-CG 4.17Å; Y565-W572 HydrophobicContact CD2-CH2 4.23Å; Y565-W572 AromaticContact CD2-CZ2 3.62Å; Y565-W572 HydrophobicContact CD2-CZ2 3.62Å; Y565-W572 AromaticContact CD2-NE1 3.57Å; Y565-W572 HydrophobicContact CE2-CZ2 4.4Å; Y565-W572 AromaticContact CE2-NE1 3.91Å; Y565-W572 HydrophobicContact CG-CD2 4.37Å; Y565-W572 HydrophobicContact CG-CE3 4.5Å; Y565-W572 HydrophobicContact CG-CH2 4.05Å; Y565-W572 AromaticContact CG-CZ2 3.84Å; Y565-W572 HydrophobicContact CG-CZ2 3.84Å; Y565-W572 HydrophobicContact CG-CZ3 4.39Å
566	N	98.2	Very high	96.9	Very high	35 Å²	35	53.7 Å²	53.7	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.8	170.7	-174.7	-35.3	0	0	0	109.6	L544 E568 A569 D570 L571	L544-N566 HydrophobicContact CD2-CB 3.74Å; N566-E568 VanDerWaalsContact C-N 3.28Å; N566-E568 PolarHBondContact O-N 2.9Å; N566-E568 WeakPolarHBondContact OD1-CB 3.2Å; N566-E568 PolarHBondContact OD1-N 3.17Å; N566-A569 HydrophobicContact CB-CB 4.21Å; N566-A569 PolarHBondContact OD1-N 3.01Å; N566-D570 WeakPolarHBondContact O-CA 3.27Å; N566-D570 PolarHBondContact O-N 2.98Å; N566-L571 PolarHBondContact N-O 3.03Å; N566-L571 PolarHBondContact O-N 2.82Å
567	T	97.1	Very high	97.1	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.098	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.4	-176.1	58.8	0	0	0	0	114.2	V490 N491 Y495 S543 I545 Y565	V490-T567 HydrophobicContact CB-CG2 4.05Å; V490-T567 HydrophobicContact CG1-CG2 3.94Å; V490-T567 HydrophobicContact CG2-CG2 4.43Å; N491-T567 PolarHBondContact ND2-OG1 2.88Å; Y495-T567 HydrophobicContact CE1-CG2 4.23Å; Y495-T567 HydrophobicContact CE2-CG2 3.92Å; S543-T567 WeakPolarHBondContact O-CB 3.27Å; S543-T567 WeakPolarHBondContact O-CG2 3.41Å; S543-T567 PolarHBondContact O-N 3.4Å; S543-T567 PolarHBondContact O-OG1 2.9Å; I545-T567 HydrophobicContact CD1-CG2 3.7Å; I545-T567 HydrophobicContact CG1-CG2 3.94Å; Y565-T567 HydrophobicContact CD1-CG2 3.76Å; Y565-T567 HydrophobicContact CE1-CG2 3.85Å
568	E	96.4	Very high	97.1	Very high	143 Å²	143	48.1 Å²	48.1	67%	0.668	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-38.3	178.6	-64.3	177.2	172.8	0	0	111.5	N566	N566-E568 VanDerWaalsContact C-N 3.28Å; N566-E568 PolarHBondContact O-N 2.9Å; N566-E568 WeakPolarHBondContact OD1-CB 3.2Å; N566-E568 PolarHBondContact OD1-N 3.17Å
569	A	96.9	Very high	96.8	Very high	52 Å²	52	54.4 Å²	54.4	43%	0.43	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.3	-179.3	0	0	0	0	0	113.8	N566 L571	N566-A569 HydrophobicContact CB-CB 4.21Å; N566-A569 PolarHBondContact OD1-N 3.01Å; A569-L571 VanDerWaalsContact C-N 3.34Å; A569-L571 HydrophobicContact CB-CB 4.34Å; A569-L571 HydrophobicContact CB-CD1 4.09Å; A569-L571 HydrophobicContact CB-CG 4.26Å
570	D	97.8	Very high	96.5	Very high	56 Å²	56	55.5 Å²	55.5	30%	0.299	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	47	-170.2	-170.8	18.3	0	0	0	112.7	V526 T527 Y565 N566	V526-D570 WeakPolarHBondContact CB-OD1 3.41Å; T527-D570 WeakPolarHBondContact CB-O 3.41Å; T527-D570 WeakPolarHBondContact CB-OD1 3.12Å; T527-D570 PolarHBondContact N-OD1 2.82Å; T527-D570 PolarHBondContact N-OD2 2.94Å; T527-D570 VanDerWaalsContact OG1-CG 3.24Å; T527-D570 PolarHBondContact OG1-O 3.42Å; T527-D570 PolarHBondContact OG1-OD1 3.45Å; T527-D570 VanDerWaalsContact OG1-OD1 3.05Å; T527-D570 PolarHBondContact OG1-OD2 3.19Å; Y565-D570 VanDerWaalsContact CE2-OD1 3.3Å; Y565-D570 WeakPolarHBondContact CE2-OD1 3.42Å; Y565-D570 VanDerWaalsContact CZ-OD1 3.31Å; Y565-D570 PolarHBondContact OH-OD1 2.99Å; N566-D570 WeakPolarHBondContact O-CA 3.27Å; N566-D570 PolarHBondContact O-N 2.98Å
571	L	98.1	Very high	96.4	Very high	105 Å²	105	54.9 Å²	54.9	55%	0.55	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.3	-176.5	-69.5	173.3	0	0	0	111.8	N566 A569	N566-L571 PolarHBondContact N-O 3.03Å; N566-L571 PolarHBondContact O-N 2.82Å; A569-L571 VanDerWaalsContact C-N 3.34Å; A569-L571 HydrophobicContact CB-CB 4.34Å; A569-L571 HydrophobicContact CB-CD1 4.09Å; A569-L571 HydrophobicContact CB-CG 4.26Å
572	W	98.6	Very high	96.2	Very high	36 Å²	36	53 Å²	53	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.8	174.7	-70.2	94.7	0	0	0	111.3	I497 V513 T527 P528 L529 P530 I547 H563 V564 Y565	I497-W572 HydrophobicContact CG2-CH2 3.94Å; I497-W572 HydrophobicContact CG2-CZ2 4.49Å; V513-W572 HydrophobicContact CG2-CZ2 4.01Å; T527-W572 PolarHBondContact O-NE1 3.04Å; P528-W572 VanDerWaalsContact O-CD1 3.29Å; P528-W572 PolarHBondContact O-NE1 3.08Å; P528-W572 VanDerWaalsContact O-NE1 3.13Å; L529-W572 HydrophobicContact CD2-CD2 4.44Å; L529-W572 HydrophobicContact CD2-CE3 4.19Å; L529-W572 HydrophobicContact CD2-CH2 3.25Å; L529-W572 HydrophobicContact CD2-CZ2 3.6Å; L529-W572 HydrophobicContact CD2-CZ3 3.57Å; L529-W572 HydrophobicContact CG-CH2 4.03Å; L529-W572 HydrophobicContact CG-CZ2 3.95Å; P530-W572 HydrophobicContact CG-CB 3.77Å; P530-W572 HydrophobicContact CG-CD2 4.37Å; P530-W572 HydrophobicContact CG-CG 3.92Å; I547-W572 HydrophobicContact CG1-CH2 4.06Å; I547-W572 HydrophobicContact CG1-CZ3 4Å; H563-W572 HydrophobicContact CB-CE3 3.68Å; H563-W572 HydrophobicContact CB-CZ3 3.76Å; V564-W572 CarbonylContact O-C 3.58Å; V564-W572 WeakPolarHBondContact O-CA 3.48Å; Y565-W572 VanDerWaalsContact CB-CZ3 3.5Å; Y565-W572 AromaticContact CD2-CD2 3.78Å; Y565-W572 HydrophobicContact CD2-CD2 3.78Å; Y565-W572 AromaticContact CD2-CE2 3.39Å; Y565-W572 HydrophobicContact CD2-CE3 4.32Å; Y565-W572 HydrophobicContact CD2-CG 4.17Å; Y565-W572 HydrophobicContact CD2-CH2 4.23Å; Y565-W572 AromaticContact CD2-CZ2 3.62Å; Y565-W572 HydrophobicContact CD2-CZ2 3.62Å; Y565-W572 AromaticContact CD2-NE1 3.57Å; Y565-W572 HydrophobicContact CE2-CZ2 4.4Å; Y565-W572 AromaticContact CE2-NE1 3.91Å; Y565-W572 HydrophobicContact CG-CD2 4.37Å; Y565-W572 HydrophobicContact CG-CE3 4.5Å; Y565-W572 HydrophobicContact CG-CH2 4.05Å; Y565-W572 AromaticContact CG-CZ2 3.84Å; Y565-W572 HydrophobicContact CG-CZ2 3.84Å; Y565-W572 HydrophobicContact CG-CZ3 4.39Å
573	E	97.8	Very high	96	Very high	115 Å²	115	52.8 Å²	52.8	54%	0.537	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152	170.6	-64.8	177.3	-169.3	0	0	110	V564	V564-E573 HydrophobicContact CB-CB 4.49Å; V564-E573 PolarHBondContact N-O 2.98Å; V564-E573 PolarHBondContact O-N 3.29Å
574	S	97.3	Very high	95.8	Very high	108 Å²	108	52.3 Å²	52.3	76%	0.755	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.9	171.2	-64.5	0	0	0	0	108.9
575	G	96.5	Very high	95.6	Very high	23 Å²	23	52.3 Å²	52.3	24%	0.237	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	173.8	172.3	0	0	0	0	0	112	V562 A577	V562-G575 PolarHBondContact O-N 2.91Å; G575-A577 PolarHBondContact O-N 2.96Å
576	T	96.9	Very high	95.4	Very high	38 Å²	38	52.5 Å²	52.5	23%	0.233	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-59.3	123.1	171	-57.9	0	0	0	0	110	Y320 G325 W327 V562	Y320-T576 HydrophobicContact CE2-CG2 4.42Å; G325-T576 WeakPolarHBondContact O-CG2 3.23Å; G325-T576 PolarHBondContact O-OG1 2.78Å; W327-T576 PolarHBondContact NE1-O 2.74Å; V562-T576 WeakPolarHBondContact CB-O 3.18Å; V562-T576 WeakPolarHBondContact CG2-O 2.97Å
577	A	96.2	Very high	95.4	Very high	44 Å²	44	51.1 Å²	51.1	36%	0.364	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-74.9	151.8	178.1	0	0	0	0	0	111.9	K560 G575	K560-A577 HydrophobicContact CD-CB 4.43Å; K560-A577 HydrophobicContact CG-CB 4.34Å; K560-A577 CarbonylContact O-C 3.6Å; K560-A577 VanDerWaalsContact O-CA 3.27Å; K560-A577 WeakPolarHBondContact O-CA 3.29Å; K560-A577 WeakPolarHBondContact O-CB 3.46Å; G575-A577 PolarHBondContact O-N 2.96Å
578	F	94.3	Very high	95.4	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.039	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-66.6	156.4	167	-66.1	-67.3	0	0	0	111.5	Q318 W327 L548 K560 V562 D580 I582 L585	Q318-F578 HydrophobicContact CB-CE1 4.13Å; Q318-F578 HydrophobicContact CG-CD1 4.34Å; Q318-F578 HydrophobicContact CG-CE1 4.05Å; W327-F578 HydrophobicContact CB-CD1 4.48Å; W327-F578 AromaticContact CD2-CD1 3.79Å; W327-F578 HydrophobicContact CD2-CD1 3.79Å; W327-F578 AromaticContact CD2-CE1 3.38Å; W327-F578 HydrophobicContact CD2-CE1 3.38Å; W327-F578 HydrophobicContact CD2-CZ 4.22Å; W327-F578 AromaticContact CE2-CE1 3.53Å; W327-F578 AromaticContact CE2-CZ 3.94Å; W327-F578 HydrophobicContact CE3-CD1 4.27Å; W327-F578 AromaticContact CE3-CE1 3.51Å; W327-F578 HydrophobicContact CE3-CE1 3.51Å; W327-F578 HydrophobicContact CE3-CZ 4.31Å; W327-F578 AromaticContact CG-CD1 3.86Å; W327-F578 HydrophobicContact CG-CD1 3.86Å; W327-F578 AromaticContact CG-CE1 3.98Å; W327-F578 HydrophobicContact CG-CE1 3.98Å; W327-F578 AromaticContact CH2-CE1 3.97Å; W327-F578 HydrophobicContact CH2-CE1 3.97Å; W327-F578 AromaticContact CH2-CZ 3.94Å; W327-F578 HydrophobicContact CH2-CZ 3.94Å; W327-F578 AromaticContact CZ2-CE1 3.85Å; W327-F578 HydrophobicContact CZ2-CE1 3.85Å; W327-F578 AromaticContact CZ2-CZ 3.82Å; W327-F578 HydrophobicContact CZ2-CZ 3.82Å; W327-F578 AromaticContact CZ3-CE1 3.8Å; W327-F578 HydrophobicContact CZ3-CE1 3.8Å; W327-F578 HydrophobicContact CZ3-CZ 4.17Å; L548-F578 HydrophobicContact CB-CE2 3.85Å; L548-F578 HydrophobicContact CB-CZ 3.97Å; L548-F578 HydrophobicContact CD1-CZ 4.39Å; K560-F578 HydrophobicContact CB-CB 4.46Å; K560-F578 WeakPolarHBondContact CB-O 3.38Å; K560-F578 PolarHBondContact O-N 3.31Å; V562-F578 HydrophobicContact CG2-CD2 4.35Å; V562-F578 HydrophobicContact CG2-CE2 4.12Å; F578-D580 WeakPolarHBondContact CB-O 3.38Å; F578-I582 HydrophobicContact CD2-CG2 3.71Å; F578-I582 HydrophobicContact CE2-CG2 3.83Å; F578-I582 HydrophobicContact CG-CG2 4.36Å; F578-L585 HydrophobicContact CE2-CD2 4.19Å; F578-L585 HydrophobicContact CZ-CD2 3.72Å
579	E	90.1	Very high	95.5	Very high	186 Å²	186	45.5 Å²	45.5	87%	0.869	26%	0.256	S	S	*	.	S	Bend	trans	-68.8	-49.1	170.8	-63.5	-171.2	157.4	0	0	111.2
580	D	89.4	Confident	95.5	Very high	29 Å²	29	43.1 Å²	43.1	16%	0.155	24%	0.236	C	C	.	.	S	Bend	trans	-102.3	157.7	176.6	-161.9	2.8	0	0	0	112	F305 S307 F578	F305-D580 WeakPolarHBondContact CB-OD2 3.25Å; F305-D580 HydrophobicContact CD1-CB 4.04Å; S307-D580 WeakPolarHBondContact CB-OD2 3.33Å; S307-D580 PolarHBondContact N-OD1 3.1Å; S307-D580 PolarHBondContact N-OD2 2.95Å; S307-D580 PolarHBondContact OG-OD2 3.35Å; F578-D580 WeakPolarHBondContact CB-O 3.38Å
581	R	92.7	Very high	95.4	Very high	90 Å²	90	41.6 Å²	41.6	34%	0.34	23%	0.228	S	C	.	.			trans	-81.9	129	177.3	-61.4	167.9	179.6	-75.6	-5.1	109.4	F305 S306 R558 M559 K560	F305-R581 CarbonylContact C-O 3.57Å; F305-R581 WeakPolarHBondContact CA-O 3.21Å; S306-R581 PolarHBondContact N-O 2.83Å; R558-R581 HydrophobicContact CB-CB 3.69Å; R558-R581 WeakPolarHBondContact O-CB 3.5Å; R558-R581 VanDerWaalsContact O-CD 3.27Å; R558-R581 WeakPolarHBondContact O-CD 3.49Å; R558-R581 WeakPolarHBondContact O-CG 3.44Å; R558-R581 PolarHBondContact O-NH1 2.8Å; M559-R581 WeakPolarHBondContact O-CA 3.33Å; K560-R581 HydrophobicContact CB-CG 4.47Å
582	I	92.8	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.9	-171.7	-167.3	176.9	0	0	0	111.4	M304 F305 G549 G550 M559 F578 L585	M304-I582 WeakPolarHBondContact O-CA 3.34Å; F305-I582 HydrophobicContact CD1-CB 4.18Å; F305-I582 HydrophobicContact CD1-CD1 4.21Å; F305-I582 HydrophobicContact CD1-CG1 4.15Å; F305-I582 HydrophobicContact CE1-CB 4.12Å; F305-I582 HydrophobicContact CE1-CD1 3.47Å; F305-I582 VanDerWaalsContact CE1-CD1 3.47Å; F305-I582 HydrophobicContact CE1-CG1 3.91Å; F305-I582 HydrophobicContact CE2-CD1 3.85Å; F305-I582 HydrophobicContact CE2-CG1 4.31Å; F305-I582 HydrophobicContact CG-CG1 4.49Å; F305-I582 HydrophobicContact CZ-CD1 3.26Å; F305-I582 HydrophobicContact CZ-CG1 4Å; G549-I582 CarbonylContact C-O 3.57Å; G550-I582 CarbonylContact C-O 3.58Å; G550-I582 WeakPolarHBondContact CA-O 3.28Å; G550-I582 PolarHBondContact N-O 3.35Å; M559-I582 PolarHBondContact O-N 3.31Å; M559-I582 VanDerWaalsContact O-N 3.11Å; F578-I582 HydrophobicContact CD2-CG2 3.71Å; F578-I582 HydrophobicContact CE2-CG2 3.83Å; F578-I582 HydrophobicContact CG-CG2 4.36Å; I582-L585 HydrophobicContact CD1-CB 4Å; I582-L585 HydrophobicContact CD1-CD1 3.59Å; I582-L585 HydrophobicContact CD1-CD2 4.21Å; I582-L585 HydrophobicContact CD1-CG 4.13Å; I582-L585 HydrophobicContact CG1-CB 4.4Å
583	S	93.8	Very high	94.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.5	165.8	79.4	0	0	0	0	111.1	G303 M304 E535 R558 L585	G303-S583 CarbonylContact C-O 3.56Å; G303-S583 WeakPolarHBondContact CA-O 3.48Å; M304-S583 PolarHBondContact N-O 2.75Å; M304-S583 PolarHBondContact O-N 2.95Å; M304-S583 VanDerWaalsContact O-N 3.07Å; E535-S583 WeakPolarHBondContact OE2-CB 3.37Å; E535-S583 PolarHBondContact OE2-OG 2.92Å; R558-S583 PolarHBondContact NE-OG 3.06Å; S583-L585 VanDerWaalsContact C-N 3.31Å
584	G	93.6	Very high	94.3	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	72.2	26.4	-178.4	0	0	0	0	0	114	G303 S339 N340 E535	G303-G584 WeakPolarHBondContact CA-O 3.12Å; S339-G584 WeakPolarHBondContact CA-O 3.22Å; N340-G584 PolarHBondContact N-O 2.96Å; N340-G584 WeakPolarHBondContact OD1-CA 3.48Å; E535-G584 PolarHBondContact O-N 2.89Å
585	L	94	Very high	93.8	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.047	17%	0.168	C	C	.	.			trans	-72.5	131.1	177	-178.9	63.3	0	0	0	109.7	F301 G537 L548 F578 I582 S583	F301-L585 WeakPolarHBondContact O-CD1 3.45Å; G537-L585 VanDerWaalsContact CA-O 3.26Å; G537-L585 WeakPolarHBondContact CA-O 3.39Å; L548-L585 HydrophobicContact CB-CD2 3.98Å; L548-L585 HydrophobicContact CD1-CD2 4.09Å; F578-L585 HydrophobicContact CE2-CD2 4.19Å; F578-L585 HydrophobicContact CZ-CD2 3.72Å; I582-L585 HydrophobicContact CD1-CB 4Å; I582-L585 HydrophobicContact CD1-CD1 3.59Å; I582-L585 HydrophobicContact CD1-CD2 4.21Å; I582-L585 HydrophobicContact CD1-CG 4.13Å; I582-L585 HydrophobicContact CG1-CB 4.4Å; S583-L585 VanDerWaalsContact C-N 3.31Å
586	A	95.8	Very high	93.4	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123	168.3	0	0	0	0	0	108.7	G300 F301 Q341 I343 L352	G300-A586 CarbonylContact C-O 3.59Å; G300-A586 WeakPolarHBondContact CA-O 3.45Å; F301-A586 PolarHBondContact N-O 2.78Å; F301-A586 PolarHBondContact O-N 2.88Å; Q341-A586 HydrophobicContact CB-CB 4.3Å; I343-A586 HydrophobicContact CB-CB 4.01Å; I343-A586 HydrophobicContact CD1-CB 4Å; I343-A586 HydrophobicContact CG2-CB 4.21Å; L352-A586 HydrophobicContact CD2-CB 3.87Å
587	A	97.5	Very high	93	Very high	7 Å²	7	27.5 Å²	27.5	6%	0.058	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.8	-175.5	0	0	0	0	0	113.1	L299 V538 A539 L548	L299-A587 WeakPolarHBondContact O-CA 3.41Å; L299-A587 WeakPolarHBondContact O-CB 3.12Å; V538-A587 CarbonylContact O-C 3.48Å; V538-A587 VanDerWaalsContact O-O 3.06Å; A539-A587 HydrophobicContact CB-CB 4.45Å; L548-A587 HydrophobicContact CD1-CB 3.59Å
588	C	97.9	Very high	92.5	Very high	10 Å²	10	27.2 Å²	27.2	7%	0.068	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	172.8	178.5	66.7	0	0	0	0	111.2	I298 L299 I343 V345	I298-C588 CarbonylContact C-O 3.59Å; I298-C588 WeakPolarHBondContact CA-O 3.36Å; L299-C588 PolarHBondContact N-O 2.57Å; L299-C588 PolarHBondContact O-N 3.21Å; I343-C588 HydrophobicContact CD1-CB 3.79Å; I343-C588 HydrophobicContact CG1-CB 4.3Å; V345-C588 HydrophobicContact CG2-CB 3.53Å
589	V	98.1	Very high	92	Very high	31 Å²	31	31 Å²	31	19%	0.188	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.5	167.7	177.1	0	0	0	0	109.2	N296 C297 I298 A539 V540 L541	N296-V589 HydrophobicContact CB-CG1 3.9Å; C297-V589 WeakPolarHBondContact O-CA 3.27Å; I298-V589 HydrophobicContact CG1-CG2 4.02Å; A539-V589 HydrophobicContact CB-CG2 4.06Å; V540-V589 WeakPolarHBondContact O-CG2 3.42Å; L541-V589 HydrophobicContact CB-CG2 4.31Å; L541-V589 HydrophobicContact CD1-CG1 3.91Å
590	V	97.1	Very high	91.3	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.9	171.2	-68.2	0	0	0	0	111.2	C297 L299 V345 N348 V350 P373 L592	C297-V590 PolarHBondContact N-O 3.04Å; C297-V590 PolarHBondContact O-N 2.97Å; L299-V590 HydrophobicContact CD1-CG2 3.25Å; L299-V590 HydrophobicContact CD2-CG2 4.44Å; L299-V590 HydrophobicContact CG-CG2 3.62Å; V345-V590 HydrophobicContact CG1-CG1 4.12Å; V345-V590 HydrophobicContact CG2-CG1 4.2Å; N348-V590 WeakPolarHBondContact OD1-CB 3.37Å; V350-V590 HydrophobicContact CG2-CG1 3.41Å; V350-V590 VanDerWaalsContact CG2-CG1 3.41Å; P373-V590 HydrophobicContact CB-CG2 4.26Å; V590-L592 HydrophobicContact CG2-CD2 3.77Å; V590-L592 HydrophobicContact CG2-CG 4.42Å
591	L	95.4	Very high	90.4	Very high	24 Å²	24	23.6 Å²	23.6	13%	0.126	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.8	169.7	-173.7	74.1	0	0	0	109.5	S293 N348	S293-L591 VanDerWaalsContact O-CD1 3.28Å; S293-L591 WeakPolarHBondContact O-CD1 2.93Å; N348-L591 PolarHBondContact ND2-O 3.28Å; N348-L591 PolarHBondContact OD1-N 3.02Å
592	L	93.4	Very high	88.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.			trans	-92.7	143.6	177.3	-64.6	-172.5	0	0	0	111.4	S293 F295 C297 L299 V319 P373 V590 V596 I597	S293-L592 WeakPolarHBondContact CB-O 3.4Å; S293-L592 PolarHBondContact OG-O 3.05Å; F295-L592 PolarHBondContact O-N 2.96Å; F295-L592 VanDerWaalsContact O-N 3.14Å; C297-L592 HydrophobicContact CB-CD1 3.73Å; C297-L592 HydrophobicContact CB-CG 3.97Å; L299-L592 HydrophobicContact CD1-CD2 4.35Å; L299-L592 HydrophobicContact CD2-CD1 4.24Å; V319-L592 HydrophobicContact CG1-CD1 3.79Å; P373-L592 HydrophobicContact CB-CD2 3.64Å; V590-L592 HydrophobicContact CG2-CD2 3.77Å; V590-L592 HydrophobicContact CG2-CG 4.42Å; L592-V596 HydrophobicContact CD1-CG1 4.39Å; L592-V596 HydrophobicContact CD2-CG1 4.37Å; L592-I597 HydrophobicContact CB-CD1 4.19Å; L592-I597 HydrophobicContact CB-CG1 3.89Å; L592-I597 HydrophobicContact CD1-CG1 4.4Å
593	S	90.4	Very high	87.2	Confident	17 Å²	17	28 Å²	28	12%	0.119	14%	0.142	C	C	.	.			trans	-71.5	154.1	169.9	71.1	0	0	0	0	110.9	R374 A595 V596 I597	R374-S593 PolarHBondContact O-OG 2.93Å; S593-A595 VanDerWaalsContact C-N 3.27Å; S593-A595 PolarHBondContact O-N 3.5Å; S593-V596 PolarHBondContact O-N 3.39Å; S593-V596 VanDerWaalsContact O-N 3.09Å; S593-V596 WeakPolarHBondContact OG-CG2 3.47Å; S593-V596 PolarHBondContact OG-N 3.05Å; S593-I597 WeakPolarHBondContact O-CG1 3.43Å; S593-I597 PolarHBondContact O-N 3.41Å
594	R	87.3	Confident	85.3	Confident	69 Å²	69	29.3 Å²	29.3	26%	0.26	15%	0.149	S	C	.	.	H	α-helix	trans	-58.6	-40.2	178.7	-175.2	54.6	175.5	-120.8	-15.2	112.6	E204 V596 I597 D598	E204-R594 IonicContact OE2-NH1 2.72Å; E204-R594 IonicContact OE2-NH2 3.69Å; R594-V596 VanDerWaalsContact C-N 3.27Å; R594-V596 PolarHBondContact O-N 3.46Å; R594-I597 WeakPolarHBondContact O-CB 3.48Å; R594-I597 PolarHBondContact O-N 2.99Å; R594-I597 VanDerWaalsContact O-N 3.12Å; R594-D598 WeakPolarHBondContact CG-OD2 3.37Å; R594-D598 IonicContact NE-OD1 3.53Å; R594-D598 PolarHBondContact NE-OD1 3.41Å; R594-D598 IonicContact NE-OD2 3.89Å; R594-D598 PolarHBondContact NE-OD2 3.34Å; R594-D598 VanDerWaalsContact NE-OD2 3.17Å; R594-D598 PolarHBondContact O-N 3.19Å
595	A	86.3	Confident	83.6	Confident	40 Å²	40	35.5 Å²	35.5	33%	0.331	18%	0.176	S	C	.	.	H	α-helix	trans	-55.1	-41.6	175.1	0	0	0	0	0	112.7	S593 Q599	S593-A595 VanDerWaalsContact C-N 3.27Å; S593-A595 PolarHBondContact O-N 3.5Å; A595-Q599 WeakPolarHBondContact O-CG 3.16Å; A595-Q599 PolarHBondContact O-N 3.39Å; A595-Q599 VanDerWaalsContact O-N 3.15Å
596	V	88.8	Confident	81.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-73.9	-35.9	178.5	177	0	0	0	0	111.4	L330 N376 L592 S593 R594 D598 Q599 A600	L330-V596 HydrophobicContact CD1-CG1 3.62Å; N376-V596 HydrophobicContact CB-CG1 4.2Å; N376-V596 HydrophobicContact CB-CG2 3.81Å; L592-V596 HydrophobicContact CD1-CG1 4.39Å; L592-V596 HydrophobicContact CD2-CG1 4.37Å; S593-V596 PolarHBondContact O-N 3.39Å; S593-V596 VanDerWaalsContact O-N 3.09Å; S593-V596 WeakPolarHBondContact OG-CG2 3.47Å; S593-V596 PolarHBondContact OG-N 3.05Å; R594-V596 VanDerWaalsContact C-N 3.27Å; R594-V596 PolarHBondContact O-N 3.46Å; V596-D598 VanDerWaalsContact C-N 3.34Å; V596-D598 PolarHBondContact O-N 2.87Å; V596-Q599 WeakPolarHBondContact O-CB 3.25Å; V596-Q599 PolarHBondContact O-N 3.26Å; V596-A600 PolarHBondContact O-N 3.29Å
597	I	88.3	Confident	79.5	Confident	1 Å²	1	46 Å²	46	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-41.9	173.7	-67.3	162.9	0	0	0	111.3	F295 W324 L592 S593 R594 Q599 A600 K601	F295-I597 HydrophobicContact CB-CD1 3.38Å; F295-I597 HydrophobicContact CD1-CD1 3.88Å; F295-I597 HydrophobicContact CD2-CD1 4.36Å; F295-I597 HydrophobicContact CG-CD1 3.63Å; W324-I597 HydrophobicContact CZ2-CG2 3.82Å; L592-I597 HydrophobicContact CB-CD1 4.19Å; L592-I597 HydrophobicContact CB-CG1 3.89Å; L592-I597 HydrophobicContact CD1-CG1 4.4Å; S593-I597 WeakPolarHBondContact O-CG1 3.43Å; S593-I597 PolarHBondContact O-N 3.41Å; R594-I597 WeakPolarHBondContact O-CB 3.48Å; R594-I597 PolarHBondContact O-N 2.99Å; R594-I597 VanDerWaalsContact O-N 3.12Å; I597-Q599 VanDerWaalsContact C-N 3.33Å; I597-A600 VanDerWaalsContact O-CB 3.31Å; I597-A600 WeakPolarHBondContact O-CB 3.27Å; I597-A600 PolarHBondContact O-N 3Å; I597-A600 VanDerWaalsContact O-N 3.11Å; I597-K601 PolarHBondContact O-N 2.92Å
598	D	85.6	Confident	77.3	Confident	39 Å²	39	51.6 Å²	51.6	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-73	-27.6	-179.3	-67.8	-27.8	0	0	0	111.8	R594 V596 A600 K601 N602	R594-D598 WeakPolarHBondContact CG-OD2 3.37Å; R594-D598 IonicContact NE-OD1 3.53Å; R594-D598 PolarHBondContact NE-OD1 3.41Å; R594-D598 IonicContact NE-OD2 3.89Å; R594-D598 PolarHBondContact NE-OD2 3.34Å; R594-D598 VanDerWaalsContact NE-OD2 3.17Å; R594-D598 PolarHBondContact O-N 3.19Å; V596-D598 VanDerWaalsContact C-N 3.34Å; V596-D598 PolarHBondContact O-N 2.87Å; D598-A600 VanDerWaalsContact C-N 3.28Å; D598-A600 PolarHBondContact O-N 3.01Å; D598-K601 PolarHBondContact O-N 3.08Å; D598-K601 IonicContact OD1-NZ 3.66Å; D598-K601 PolarHBondContact OD1-NZ 2.8Å; D598-N602 WeakPolarHBondContact O-CB 3.38Å; D598-N602 VanDerWaalsContact O-CG 3.25Å; D598-N602 PolarHBondContact O-N 3.12Å; D598-N602 PolarHBondContact O-ND2 3.46Å
599	Q	83.3	Confident	74.9	Confident	88 Å²	88	53.5 Å²	53.5	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-39.9	165.8	-71.1	169	26.3	0	0	111.7	L330 N376 A595 V596 I597 K601 N602 W603	L330-Q599 HydrophobicContact CD2-CB 4Å; N376-Q599 PolarHBondContact ND2-OE1 2.79Å; N376-Q599 VanDerWaalsContact ND2-OE1 3.11Å; A595-Q599 WeakPolarHBondContact O-CG 3.16Å; A595-Q599 PolarHBondContact O-N 3.39Å; A595-Q599 VanDerWaalsContact O-N 3.15Å; V596-Q599 WeakPolarHBondContact O-CB 3.25Å; V596-Q599 PolarHBondContact O-N 3.26Å; I597-Q599 VanDerWaalsContact C-N 3.33Å; Q599-K601 PolarHBondContact O-N 3.15Å; Q599-N602 PolarHBondContact O-N 2.88Å; Q599-W603 PolarHBondContact O-N 3.4Å; Q599-W603 VanDerWaalsContact O-N 3.08Å
600	A	75.4	Confident	72.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-37.6	178.2	0	0	0	0	0	112.1	R328 L330 V596 I597 D598	R328-A600 HydrophobicContact CB-CB 4.3Å; L330-A600 HydrophobicContact CD1-CB 4.47Å; L330-A600 VanDerWaalsContact CD2-CA 3.46Å; L330-A600 HydrophobicContact CD2-CB 3.6Å; L330-A600 HydrophobicContact CG-CB 3.97Å; V596-A600 PolarHBondContact O-N 3.29Å; I597-A600 VanDerWaalsContact O-CB 3.31Å; I597-A600 WeakPolarHBondContact O-CB 3.27Å; I597-A600 PolarHBondContact O-N 3Å; I597-A600 VanDerWaalsContact O-N 3.11Å; D598-A600 VanDerWaalsContact C-N 3.28Å; D598-A600 PolarHBondContact O-N 3.01Å
601	K	71.2	Confident	69.7	Low	60 Å²	60	63.1 Å²	63.1	26%	0.261	30%	0.3	S	S	.	.	H	α-helix	trans	-69.4	-43.6	176	-66.5	175.4	-170.4	158.1	0	112.4	I597 D598 Q599 W603 E604 Q605	I597-K601 PolarHBondContact O-N 2.92Å; D598-K601 PolarHBondContact O-N 3.08Å; D598-K601 IonicContact OD1-NZ 3.66Å; D598-K601 PolarHBondContact OD1-NZ 2.8Å; Q599-K601 PolarHBondContact O-N 3.15Å; K601-W603 VanDerWaalsContact C-N 3.32Å; K601-W603 PolarHBondContact O-N 2.91Å; K601-E604 PolarHBondContact O-N 3.36Å; K601-Q605 PolarHBondContact O-N 3.02Å
602	N	61.9	Low	67.3	Low	81 Å²	81	68.7 Å²	68.7	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-69.1	-31.1	-177.1	-71.6	-18.2	0	0	0	112.2	D598 Q599 Q605 R606	D598-N602 WeakPolarHBondContact O-CB 3.38Å; D598-N602 VanDerWaalsContact O-CG 3.25Å; D598-N602 PolarHBondContact O-N 3.12Å; D598-N602 PolarHBondContact O-ND2 3.46Å; Q599-N602 PolarHBondContact O-N 2.88Å; N602-Q605 PolarHBondContact O-N 3.06Å; N602-R606 WeakPolarHBondContact O-CG 3.32Å; N602-R606 PolarHBondContact O-N 2.81Å; N602-R606 VanDerWaalsContact O-N 3.08Å
603	W	55.9	Low	64.9	Low	101 Å²	101	76.1 Å²	76.1	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-46.4	173.4	176.3	-95.3	0	0	0	112	L316 Q599 K601 Q605 R606 T607	L316-W603 HydrophobicContact CD2-CZ2 4.37Å; Q599-W603 PolarHBondContact O-N 3.4Å; Q599-W603 VanDerWaalsContact O-N 3.08Å; K601-W603 VanDerWaalsContact C-N 3.32Å; K601-W603 PolarHBondContact O-N 2.91Å; W603-Q605 PolarHBondContact O-N 3.44Å; W603-R606 PolarHBondContact O-N 3.22Å; W603-T607 HydrophobicContact CZ2-CG2 4.25Å; W603-T607 PolarHBondContact O-N 3.39Å; W603-T607 PolarHBondContact O-OG1 3.1Å
604	E	55	Low	62.7	Low	28 Å²	28	79.7 Å²	79.7	13%	0.131	38%	0.381	C	S	.	.	H	α-helix	trans	-63.7	-39.7	178.7	-73.7	178.2	172.2	0	0	112.7	R328 K601 R606 T607 K608	R328-E604 WeakPolarHBondContact CD-OE1 3.41Å; R328-E604 WeakPolarHBondContact CG-OE1 3.39Å; R328-E604 IonicContact CZ-OE2 3.36Å; R328-E604 IonicContact NE-OE1 3.57Å; R328-E604 PolarHBondContact NE-OE1 3.37Å; R328-E604 IonicContact NE-OE2 3.63Å; R328-E604 PolarHBondContact NE-OE2 2.85Å; R328-E604 IonicContact NH2-OE2 3.65Å; K601-E604 PolarHBondContact O-N 3.36Å; E604-R606 VanDerWaalsContact C-N 3.32Å; E604-R606 PolarHBondContact O-N 3.42Å; E604-T607 WeakPolarHBondContact CA-OG1 3.49Å; E604-T607 PolarHBondContact O-N 2.92Å; E604-T607 PolarHBondContact O-OG1 3.34Å; E604-K608 VanDerWaalsContact O-CB 3.31Å; E604-K608 WeakPolarHBondContact O-CB 3.41Å; E604-K608 WeakPolarHBondContact O-CG 3.49Å; E604-K608 PolarHBondContact O-N 2.87Å
605	Q	56.5	Low	60.7	Low	132 Å²	132	83 Å²	83	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-63.1	-40.5	175.5	-69.4	-179.3	-7.9	0	0	111.4	K601 N602 W603 A609	K601-Q605 PolarHBondContact O-N 3.02Å; N602-Q605 PolarHBondContact O-N 3.06Å; W603-Q605 PolarHBondContact O-N 3.44Å; Q605-A609 VanDerWaalsContact O-CB 3.29Å; Q605-A609 WeakPolarHBondContact O-CB 3.47Å; Q605-A609 PolarHBondContact O-N 3.17Å
606	R	51.3	Low	58.7	Low	193 Å²	193	87.9 Å²	87.9	73%	0.728	42%	0.423	S	S	*	.	H	α-helix	trans	-69.2	-40.4	177.1	-73.7	179.3	179.4	179.1	0.7	113	N602 W603 E604 S610	N602-R606 WeakPolarHBondContact O-CG 3.32Å; N602-R606 PolarHBondContact O-N 2.81Å; N602-R606 VanDerWaalsContact O-N 3.08Å; W603-R606 PolarHBondContact O-N 3.22Å; E604-R606 VanDerWaalsContact C-N 3.32Å; E604-R606 PolarHBondContact O-N 3.42Å; R606-S610 PolarHBondContact O-N 3.22Å
607	T	52.6	Low	56.4	Low	41 Å²	41	94.7 Å²	94.7	25%	0.252	46%	0.46	S	S	.	.	H	α-helix	trans	-67.7	-48.6	176	20.8	0	0	0	0	110.4	W603 E604 A609 S610 W611	W603-T607 HydrophobicContact CZ2-CG2 4.25Å; W603-T607 PolarHBondContact O-N 3.39Å; W603-T607 PolarHBondContact O-OG1 3.1Å; E604-T607 WeakPolarHBondContact CA-OG1 3.49Å; E604-T607 PolarHBondContact O-N 2.92Å; E604-T607 PolarHBondContact O-OG1 3.34Å; T607-A609 VanDerWaalsContact C-N 3.29Å; T607-A609 PolarHBondContact O-N 3.39Å; T607-S610 PolarHBondContact O-N 2.9Å; T607-S610 PolarHBondContact O-OG 2.76Å; T607-W611 PolarHBondContact O-N 3.09Å
608	K	52.4	Low	54.3	Low	125 Å²	125	101.9 Å²	101.9	54%	0.543	50%	0.499	S	S	.	.	H	α-helix	trans	-56.1	-42.8	176.4	-74.6	174.8	-179.6	168.2	0	112.1	E604 W611 E612	E604-K608 VanDerWaalsContact O-CB 3.31Å; E604-K608 WeakPolarHBondContact O-CB 3.41Å; E604-K608 WeakPolarHBondContact O-CG 3.49Å; E604-K608 PolarHBondContact O-N 2.87Å; K608-W611 PolarHBondContact O-N 3.08Å; K608-E612 PolarHBondContact O-N 3.27Å
609	A	47.2	Very low	52.4	Low	50 Å²	50	104.9 Å²	104.9	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-37.8	174.8	0	0	0	0	0	113.3	Q605 T607 W611 E612 E613	Q605-A609 VanDerWaalsContact O-CB 3.29Å; Q605-A609 WeakPolarHBondContact O-CB 3.47Å; Q605-A609 PolarHBondContact O-N 3.17Å; T607-A609 VanDerWaalsContact C-N 3.29Å; T607-A609 PolarHBondContact O-N 3.39Å; A609-W611 PolarHBondContact O-N 3.33Å; A609-E612 PolarHBondContact O-N 2.73Å; A609-E613 PolarHBondContact O-N 2.71Å
610	S	42.2	Very low	50.4	Low	56 Å²	56	109.8 Å²	109.8	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-70.8	-29.1	178.2	74.9	0	0	0	0	113.3	R606 T607 V614	R606-S610 PolarHBondContact O-N 3.22Å; T607-S610 PolarHBondContact O-N 2.9Å; T607-S610 PolarHBondContact O-OG 2.76Å; S610-V614 VanDerWaalsContact O-CG2 3.23Å; S610-V614 WeakPolarHBondContact O-CG2 3.43Å; S610-V614 PolarHBondContact O-N 3.12Å
611	W	44.3	Very low	48.6	Very low	179 Å²	179	121.5 Å²	121.5	68%	0.678	61%	0.608	S	S	*	*	H	α-helix	trans	-74.1	-35	174.6	-69.5	103.8	0	0	0	111.8	T607 K608 A609 V614 D615	T607-W611 PolarHBondContact O-N 3.09Å; K608-W611 PolarHBondContact O-N 3.08Å; A609-W611 PolarHBondContact O-N 3.33Å; W611-V614 PolarHBondContact O-N 2.94Å; W611-D615 PolarHBondContact O-N 3.47Å
612	E	45.3	Very low	47.4	Very low	142 Å²	142	124.6 Å²	124.6	66%	0.664	63%	0.625	S	S	*	*	H	α-helix	trans	-69.4	-30.2	175.2	-72.3	179.1	172.2	0	0	113.1	K608 A609	K608-E612 PolarHBondContact O-N 3.27Å; A609-E612 PolarHBondContact O-N 2.73Å
613	E	41.9	Very low	46.7	Very low	156 Å²	156	126.8 Å²	126.8	73%	0.729	64%	0.635	S	S	*	*	H	α-helix	trans	-75.3	-28.7	173.6	-77.5	-173.4	165.3	0	0	113.4	A609	A609-E613 PolarHBondContact O-N 2.71Å
614	V	44.4	Very low	46.2	Very low	92 Å²	92	128.3 Å²	128.3	56%	0.558	65%	0.649	S	S	*	*	H	α-helix	trans	-78.8	-26.1	-179.8	174.9	0	0	0	0	112.3	S610 W611 L616	S610-V614 VanDerWaalsContact O-CG2 3.23Å; S610-V614 WeakPolarHBondContact O-CG2 3.43Å; S610-V614 PolarHBondContact O-N 3.12Å; W611-V614 PolarHBondContact O-N 2.94Å; V614-L616 VanDerWaalsContact C-N 3.29Å; V614-L616 PolarHBondContact O-N 2.73Å
615	D	44.4	Very low	45.6	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-4.6	176.7	-81.6	-23.7	0	0	0	113.9	W611	W611-D615 PolarHBondContact O-N 3.47Å
616	L	44.2	Very low	45	Very low	143 Å²	143	134.3 Å²	134.3	75%	0.749	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-3.6	179.2	-77.8	167.1	0	0	0	115	V614	V614-L616 VanDerWaalsContact C-N 3.29Å; V614-L616 PolarHBondContact O-N 2.73Å
617	D	40.5	Very low	44.5	Very low	144 Å²	144	130.4 Å²	130.4	77%	0.77	68%	0.681	S	S	*	*	S	Bend	trans	-116.8	19.3	-173.5	-140.6	17.6	0	0	0	114.5
618	N	44.6	Very low	44	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	71%	0.711	S	S	*	*	S	Bend	trans	-123.3	41.8	175.6	-86.2	-39.6	0	0	0	113.4
619	S	45.8	Very low	43.3	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	72%	0.724	S	S	*	*			trans	-142.9	71.2	164.5	68	0	0	0	0	111.6
620	E	40.9	Very low	43	Very low	191 Å²	191	145 Å²	145	89%	0.893	75%	0.75	S	S	*	*			trans	-173.6	93.3	148.7	-105.2	170.9	-156.8	0	0	109.6
621	D	37.5	Very low	43.1	Very low	246 Å²	246	153.1 Å²	153.1	100%	1.316	78%	0.783	S	S	*	*			trans	-168.7	0	136.1	-98.2	-18.2	0	0	0	110.9

Retrieved 621 of 621 residues in 2601.7 ms (Link to these results)

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