A0A093HVP3_STRCA Loading...

72 kDa type IV collagenase

AlphaFold DB , UniProt , Accession A0A093HVP3, Species STRCA (Struthio camelus australis), Gene n/a, Length 663 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	47.3	Very low	42.7	Very low	244 Å²	244	160.8 Å²	160.8	100%	1.202	81%	0.812	S	S	*	*				0	73.5	0	-161.7	173.7	172	0	0	109.1
2	K	43.9	Very low	42.5	Very low	198 Å²	198	160.8 Å²	160.8	86%	0.861	80%	0.802	S	S	*	*			trans	178.1	155	177.1	-103	170	-176.2	-178	0	104.5
3	T	42.7	Very low	42.5	Very low	130 Å²	130	154.6 Å²	154.6	80%	0.798	78%	0.778	S	S	*	*	S	Bend	trans	68.1	65.7	176.7	36.8	0	0	0	0	118.2
4	H	43.5	Very low	42.1	Very low	194 Å²	194	152.5 Å²	152.5	90%	0.898	77%	0.769	S	S	*	*	S	Bend	trans	-154.5	8.4	151.6	-95.7	-55.5	0	0	0	116.7
5	I	47.4	Very low	41.7	Very low	168 Å²	168	149.5 Å²	149.5	86%	0.862	76%	0.755	S	S	*	*	S	Bend	trans	-127.8	63.6	-177.9	-48.2	176	0	0	0	110.1
6	V	46.3	Very low	41.3	Very low	114 Å²	114	147.3 Å²	147.3	69%	0.691	75%	0.745	S	S	*	*	S	Bend	trans	-142.3	-18.7	166.3	-174.3	0	0	0	0	112.4
7	F	38.5	Very low	40.8	Very low	202 Å²	202	147.5 Å²	147.5	89%	0.886	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-3.1	-173.3	-106.9	-95.5	0	0	0	116.4
8	G	38.9	Very low	40.4	Very low	62 Å²	62	145.3 Å²	145.3	64%	0.639	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-14.7	-176.2	0	0	0	0	0	116.1
9	F	40	Very low	40.1	Very low	175 Å²	175	148 Å²	148	77%	0.768	74%	0.739	S	S	*	*	S	Bend	trans	-101.1	-22.5	-173	-121.5	-94.6	0	0	0	113.9
10	I	42.7	Very low	39.9	Very low	118 Å²	118	147.9 Å²	147.9	61%	0.605	74%	0.74	S	S	*	*	H	α-helix	trans	-80.6	-25.2	-177.7	-63.1	176	0	0	0	111.7
11	F	38.8	Very low	39.7	Very low	164 Å²	164	149.7 Å²	149.7	72%	0.719	74%	0.743	S	S	*	*	H	α-helix	trans	-84.7	-17.6	-179.2	-131.7	-95.3	0	0	0	114.6	L15	F11-L15 HydrophobicContact CD1-CD1 4.37Å
12	K	39.8	Very low	38.9	Very low	161 Å²	161	143 Å²	143	70%	0.7	72%	0.721	S	S	*	*	H	α-helix	trans	-87.3	-22.2	175.2	-91.5	-173.3	174.1	-176.8	0	114	I16	K12-I16 WeakPolarHBondContact O-CG1 3.31Å
13	V	43	Very low	38.4	Very low	80 Å²	80	142.3 Å²	142.3	49%	0.485	72%	0.718	S	S	.	*	H	α-helix	trans	-81.6	-28.2	178.3	-179.9	0	0	0	0	111.6	H17	V13-H17 PolarHBondContact O-N 3Å; V13-H17 PolarHBondContact O-ND1 2.79Å
14	L	37.1	Very low	37.9	Very low	125 Å²	125	142.1 Å²	142.1	65%	0.654	72%	0.717	S	S	*	*	H	α-helix	trans	-75.9	-28.9	174.8	-113.8	92	0	0	0	113.9	V18	L14-V18 WeakPolarHBondContact O-CG2 3.26Å
15	L	35.6	Very low	37.6	Very low	107 Å²	107	140.7 Å²	140.7	56%	0.56	72%	0.715	S	S	*	*	H	α-helix	trans	-80.8	-19.6	178	-97	151.9	0	0	0	113.6	F11	F11-L15 HydrophobicContact CD1-CD1 4.37Å
16	I	35.3	Very low	37.1	Very low	115 Å²	115	136.9 Å²	136.9	59%	0.59	71%	0.708	S	S	*	*	H	α-helix	trans	-88.2	-22.4	174.5	-64.2	173	0	0	0	111.6	K12 V18	K12-I16 WeakPolarHBondContact O-CG1 3.31Å; I16-V18 VanDerWaalsContact C-N 3.31Å
17	H	32.6	Very low	37.2	Very low	151 Å²	151	135.3 Å²	135.3	70%	0.699	71%	0.707	S	S	*	*	S	Bend	trans	-79	-9.6	171.7	-87.3	69.1	0	0	0	114.4	V13	V13-H17 PolarHBondContact O-N 3Å; V13-H17 PolarHBondContact O-ND1 2.79Å
18	V	34.5	Very low	38.2	Very low	107 Å²	107	131.7 Å²	131.7	65%	0.648	70%	0.704	S	S	*	*	S	Bend	trans	-96.2	-9.8	174.6	178.4	0	0	0	0	112.2	L14 I16	L14-V18 WeakPolarHBondContact O-CG2 3.26Å; I16-V18 VanDerWaalsContact C-N 3.31Å
19	Y	33.2	Very low	39.2	Very low	197 Å²	197	130.9 Å²	130.9	77%	0.773	69%	0.689	S	S	*	*	S	Bend	trans	-101.7	4.4	-176.1	-107.5	-87.6	0	0	0	116.1
20	L	36.8	Very low	41.2	Very low	145 Å²	145	126.5 Å²	126.5	76%	0.759	68%	0.678	S	S	*	*	S	Bend	trans	-128.8	11.6	180	-83.8	167.8	0	0	0	116.1
21	F	36.5	Very low	43	Very low	186 Å²	186	126.6 Å²	126.6	82%	0.816	68%	0.678	S	S	*	*			trans	-134.7	60.7	164.4	-88.6	-87.2	0	0	0	110.5
22	S	29.4	Very low	45.2	Very low	103 Å²	103	120.9 Å²	120.9	72%	0.72	66%	0.655	S	S	*	*			trans	-113.6	72.4	144.2	-73.3	0	0	0	0	106.8	T24	S22-T24 PolarHBondContact O-N 3.23Å
23	K	33.9	Very low	47.4	Very low	185 Å²	185	120.1 Å²	120.1	80%	0.804	65%	0.651	S	S	*	*			trans	-61.1	100.7	139.1	-80.6	-169.8	177.3	-175.5	0	103.2	L25	K23-L25 PolarHBondContact O-N 3.49Å
24	T	32.7	Very low	49.4	Very low	126 Å²	126	116.4 Å²	116.4	77%	0.773	63%	0.629	S	S	*	*			trans	-56.6	89.3	159.6	44.5	0	0	0	0	105.4	S22 A26	S22-T24 PolarHBondContact O-N 3.23Å; T24-A26 PolarHBondContact O-N 2.66Å
25	L	36.2	Very low	51.7	Low	164 Å²	164	112.9 Å²	112.9	86%	0.859	61%	0.613	S	S	*	*			trans	-57.1	103	148.7	-80.4	160	0	0	0	102.7	K23 A27	K23-L25 PolarHBondContact O-N 3.49Å; L25-A27 PolarHBondContact O-N 2.84Å; L25-A27 VanDerWaalsContact O-N 3.12Å
26	A	37.9	Very low	53.7	Low	88 Å²	88	111.6 Å²	111.6	73%	0.727	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-47.2	125.8	168.4	0	0	0	0	0	105.8	T24	T24-A26 PolarHBondContact O-N 2.66Å
27	A	47.9	Very low	55.7	Low	81 Å²	81	108 Å²	108	67%	0.669	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-50.8	137	173	0	0	0	0	0	107.4	L25 S29	L25-A27 PolarHBondContact O-N 2.84Å; L25-A27 VanDerWaalsContact O-N 3.12Å; A27-S29 PolarHBondContact O-N 3.24Å
28	P	58.6	Low	57.3	Low	126 Å²	126	104.7 Å²	104.7	82%	0.818	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-53.3	122.7	179.4	20	-30.1	0	0	0	108.3
29	S	61.3	Low	58.9	Low	45 Å²	45	104 Å²	104	32%	0.315	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-53.4	134.4	178.9	-60.5	0	0	0	0	108.6	A27 I31	A27-S29 PolarHBondContact O-N 3.24Å; S29-I31 PolarHBondContact O-N 3.34Å
30	P	80.3	Confident	60.6	Low	83 Å²	83	98.9 Å²	98.9	54%	0.539	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-60.5	135.4	-178.6	25.6	-33.1	0	0	0	109.5	I32 L353 G364	P30-I32 PolarHBondContact O-N 3.16Å; P30-L353 HydrophobicContact CG-CD1 3.69Å; P30-G364 WeakPolarHBondContact O-CA 3.26Å
31	I	80.9	Confident	62.4	Low	119 Å²	119	96.6 Å²	96.6	61%	0.61	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-67.9	128	175.9	-61	164.5	0	0	0	108	S29 N366	S29-I31 PolarHBondContact O-N 3.34Å; I31-N366 HydrophobicContact CD1-CB 3.95Å; I31-N366 HydrophobicContact CG1-CB 4.41Å
32	I	85.6	Confident	64.7	Low	45 Å²	45	91.4 Å²	91.4	23%	0.231	56%	0.556	C	S	.	*			trans	-122.8	161.6	178.2	66.4	158.9	0	0	0	110.7	P30 F34 F352 L353 G364 Y378	P30-I32 PolarHBondContact O-N 3.16Å; I32-F34 HydrophobicContact CD1-CD2 4.43Å; I32-F34 HydrophobicContact CD1-CE1 4.26Å; I32-F34 HydrophobicContact CD1-CE2 4.03Å; I32-F34 HydrophobicContact CD1-CZ 3.92Å; I32-F34 HydrophobicContact CG1-CD2 4.14Å; I32-F34 HydrophobicContact CG1-CE2 3.7Å; I32-F34 HydrophobicContact CG1-CZ 4.06Å; I32-F352 HydrophobicContact CD1-CE2 3.42Å; I32-F352 VanDerWaalsContact CD1-CE2 3.42Å; I32-F352 HydrophobicContact CD1-CZ 3.53Å; I32-F352 HydrophobicContact CG1-CE2 4.4Å; I32-F352 HydrophobicContact CG1-CZ 4.02Å; I32-L353 HydrophobicContact CG2-CD1 4.47Å; I32-G364 PolarHBondContact N-O 2.99Å; I32-Y378 HydrophobicContact CD1-CE1 4.11Å
33	K	85.3	Confident	67.4	Low	144 Å²	144	89.7 Å²	89.7	63%	0.626	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-92.6	119.2	169.2	-173.3	177.6	179.9	-178.5	0	109.4
34	F	86	Confident	69.8	Low	3 Å²	3	87.1 Å²	87.1	1%	0.013	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-77.4	144	175.1	-74.3	-96.8	0	0	0	111.2	I32 G36 D37 F352 R365 W371 Y378 W384	I32-F34 HydrophobicContact CD1-CD2 4.43Å; I32-F34 HydrophobicContact CD1-CE1 4.26Å; I32-F34 HydrophobicContact CD1-CE2 4.03Å; I32-F34 HydrophobicContact CD1-CZ 3.92Å; I32-F34 HydrophobicContact CG1-CD2 4.14Å; I32-F34 HydrophobicContact CG1-CE2 3.7Å; I32-F34 HydrophobicContact CG1-CZ 4.06Å; F34-G36 PolarHBondContact O-N 2.74Å; F34-D37 HydrophobicContact CB-CB 4.02Å; F34-D37 WeakPolarHBondContact O-CB 3Å; F34-D37 PolarHBondContact O-N 3.34Å; F34-F352 HydrophobicContact CZ-CE2 4.33Å; F34-F352 HydrophobicContact CZ-CZ 4.11Å; F34-R365 HydrophobicContact CD2-CG 4.26Å; F34-R365 HydrophobicContact CE2-CG 3.63Å; F34-R365 HydrophobicContact CZ-CG 4.33Å; F34-W371 AromaticContact CE1-CD2 3.7Å; F34-W371 HydrophobicContact CE1-CD2 3.7Å; F34-W371 AromaticContact CE1-CE2 3.45Å; F34-W371 VanDerWaalsContact CE1-CE2 3.45Å; F34-W371 AromaticContact CE1-CE3 3.89Å; F34-W371 HydrophobicContact CE1-CE3 3.89Å; F34-W371 HydrophobicContact CE1-CG 4.44Å; F34-W371 AromaticContact CE1-CH2 3.69Å; F34-W371 HydrophobicContact CE1-CH2 3.69Å; F34-W371 AromaticContact CE1-CZ2 3.46Å; F34-W371 HydrophobicContact CE1-CZ2 3.46Å; F34-W371 VanDerWaalsContact CE1-CZ2 3.46Å; F34-W371 AromaticContact CE1-CZ3 3.89Å; F34-W371 HydrophobicContact CE1-CZ3 3.89Å; F34-W371 AromaticContact CE1-NE1 3.99Å; F34-W371 AromaticContact CZ-CD2 3.94Å; F34-W371 HydrophobicContact CZ-CD2 3.94Å; F34-W371 AromaticContact CZ-CE2 3.32Å; F34-W371 HydrophobicContact CZ-CG 4.42Å; F34-W371 HydrophobicContact CZ-CH2 4.18Å; F34-W371 AromaticContact CZ-CZ2 3.47Å; F34-W371 HydrophobicContact CZ-CZ2 3.47Å; F34-W371 VanDerWaalsContact CZ-CZ2 3.47Å; F34-W371 AromaticContact CZ-NE1 3.42Å; F34-Y378 AromaticContact CD1-CE2 3.82Å; F34-Y378 HydrophobicContact CD1-CE2 3.82Å; F34-Y378 AromaticContact CD1-CZ 3.7Å; F34-Y378 WeakPolarHBondContact CD1-OH 2.85Å; F34-Y378 HydrophobicContact CE1-CE1 4.44Å; F34-Y378 AromaticContact CE1-CE2 3.84Å; F34-Y378 HydrophobicContact CE1-CE2 3.84Å; F34-Y378 AromaticContact CE1-CZ 3.71Å; F34-W384 HydrophobicContact CB-CD2 4.26Å; F34-W384 VanDerWaalsContact CB-CE2 3.48Å; F34-W384 HydrophobicContact CB-CH2 3.98Å; F34-W384 HydrophobicContact CB-CZ2 3.33Å; F34-W384 AromaticContact CD1-CD2 3.53Å; F34-W384 HydrophobicContact CD1-CD2 3.53Å; F34-W384 AromaticContact CD1-CE2 3.66Å; F34-W384 AromaticContact CD1-CE3 3.93Å; F34-W384 HydrophobicContact CD1-CE3 3.93Å; F34-W384 AromaticContact CD1-CG 3.84Å; F34-W384 HydrophobicContact CD1-CG 3.84Å; F34-W384 HydrophobicContact CD1-CH2 4.47Å; F34-W384 HydrophobicContact CD1-CZ2 4.15Å; F34-W384 HydrophobicContact CD1-CZ3 4.37Å; F34-W384 AromaticContact CD1-NE1 3.97Å; F34-W384 HydrophobicContact CE1-CD2 4.28Å; F34-W384 HydrophobicContact CE1-CE3 4.39Å; F34-W384 HydrophobicContact CE1-CG 4.48Å; F34-W384 HydrophobicContact CG-CD2 4.17Å; F34-W384 AromaticContact CG-CE2 3.89Å; F34-W384 HydrophobicContact CG-CE3 4.46Å; F34-W384 HydrophobicContact CG-CH2 4.22Å; F34-W384 AromaticContact CG-CZ2 3.93Å; F34-W384 HydrophobicContact CG-CZ2 3.93Å; F34-W384 HydrophobicContact CG-CZ3 4.48Å
35	P	85.7	Confident	72.3	Confident	51 Å²	51	85.9 Å²	85.9	33%	0.331	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	134.6	174.6	-17.3	28.4	0	0	0	111.2	D37 Y378 R382 W384	P35-D37 PolarHBondContact O-N 2.91Å; P35-Y378 VanDerWaalsContact CD-OH 3.24Å; P35-Y378 WeakPolarHBondContact CD-OH 3.34Å; P35-R382 HydrophobicContact CG-CB 4.17Å; P35-W384 PolarHBondContact O-NE1 2.79Å
36	G	77.6	Confident	74.8	Confident	80 Å²	80	79.7 Å²	79.7	83%	0.825	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-10.6	-177.5	0	0	0	0	0	114.5	F34	F34-G36 PolarHBondContact O-N 2.74Å
37	D	75.9	Confident	77.2	Confident	39 Å²	39	75.5 Å²	75.5	21%	0.209	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-79.7	139.4	179.6	-152.6	-0.2	0	0	0	111.6	F34 P35 R365 W384	F34-D37 HydrophobicContact CB-CB 4.02Å; F34-D37 WeakPolarHBondContact O-CB 3Å; F34-D37 PolarHBondContact O-N 3.34Å; P35-D37 PolarHBondContact O-N 2.91Å; D37-R365 IonicContact OD1-NH2 3.32Å; D37-R365 IonicContact OD2-CZ 2.87Å; D37-R365 IonicContact OD2-NH1 2.69Å; D37-R365 PolarHBondContact OD2-NH1 3.21Å; D37-R365 IonicContact OD2-NH2 3Å; D37-R365 PolarHBondContact OD2-NH2 3.01Å; D37-W384 HydrophobicContact CB-CZ2 4.19Å
38	S	67.4	Low	79.1	Confident	81 Å²	81	73.9 Å²	73.9	57%	0.566	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-67.3	147.9	175.8	69.2	0	0	0	0	109.8	P40	S38-P40 WeakPolarHBondContact O-CD 3.16Å
39	T	67.4	Low	80.4	Confident	92 Å²	92	72.3 Å²	72.3	56%	0.564	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-66.1	127.3	177.1	45	0	0	0	0	109.4	K41	T39-K41 PolarHBondContact O-N 3.46Å; T39-K41 VanDerWaalsContact O-N 3.14Å
40	P	68.8	Low	81.8	Confident	91 Å²	91	70.8 Å²	70.8	59%	0.591	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-54.8	122.5	177.1	-24.4	32.5	0	0	0	110.1	S38	S38-P40 WeakPolarHBondContact O-CD 3.16Å
41	K	75.6	Confident	82.3	Confident	97 Å²	97	66.8 Å²	66.8	42%	0.422	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-70.9	139.4	176	-62.4	174.4	-171.2	168.6	0	108.6	T39 E45 Q49	T39-K41 PolarHBondContact O-N 3.46Å; T39-K41 VanDerWaalsContact O-N 3.14Å; K41-E45 HydrophobicContact CB-CB 4.26Å; K41-Q49 VanDerWaalsContact CD-OE1 3.24Å
42	T	84.5	Confident	82.6	Confident	77 Å²	77	63.1 Å²	63.1	47%	0.472	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-65.1	155.6	168.5	62	0	0	0	0	110	K44 E45 L46	T42-K44 PolarHBondContact O-N 3.38Å; T42-K44 VanDerWaalsContact O-N 3.1Å; T42-E45 WeakPolarHBondContact CB-OE2 3.5Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.31Å; T42-E45 PolarHBondContact N-OE2 3.44Å; T42-E45 PolarHBondContact O-N 3.28Å; T42-E45 WeakPolarHBondContact OG1-CB 3.33Å; T42-E45 WeakPolarHBondContact OG1-CG 3.37Å; T42-E45 PolarHBondContact OG1-N 2.67Å; T42-E45 PolarHBondContact OG1-OE2 3.04Å; T42-L46 PolarHBondContact O-N 3.33Å
43	D	85.7	Confident	82.7	Confident	66 Å²	66	64.2 Å²	64.2	35%	0.353	36%	0.356	S	S	.	.	H	α-helix	trans	-57	-31.9	-179.8	-64.4	-34.4	0	0	0	112.4	A47 I91 K95	D43-A47 WeakPolarHBondContact O-CB 3.48Å; D43-A47 PolarHBondContact O-N 3.4Å; D43-I91 HydrophobicContact CB-CD1 3.82Å; D43-I91 HydrophobicContact CB-CG1 4.27Å; D43-I91 HydrophobicContact CB-CG2 4.32Å; D43-I91 WeakPolarHBondContact OD1-CG2 3.34Å; D43-K95 WeakPolarHBondContact OD1-CE 3.21Å; D43-K95 IonicContact OD1-NZ 3.07Å; D43-K95 PolarHBondContact OD1-NZ 2.84Å
44	K	84.6	Confident	83	Confident	132 Å²	132	58 Å²	58	57%	0.574	33%	0.329	S	S	*	.	H	α-helix	trans	-70.4	-43.4	175.2	-172.2	-179.9	178.9	-176.3	0	112.4	T42 A47 V48	T42-K44 PolarHBondContact O-N 3.38Å; T42-K44 VanDerWaalsContact O-N 3.1Å; K44-A47 PolarHBondContact O-N 2.83Å; K44-V48 VanDerWaalsContact O-CG2 3.29Å; K44-V48 WeakPolarHBondContact O-CG2 3.5Å; K44-V48 PolarHBondContact O-N 3.49Å
45	E	85.9	Confident	83.1	Confident	99 Å²	99	58.7 Å²	58.7	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-65.4	-41.5	177	-73.2	162.1	158.2	0	0	111.3	K41 T42 V48 Q49	K41-E45 HydrophobicContact CB-CB 4.26Å; T42-E45 WeakPolarHBondContact CB-OE2 3.5Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.31Å; T42-E45 PolarHBondContact N-OE2 3.44Å; T42-E45 PolarHBondContact O-N 3.28Å; T42-E45 WeakPolarHBondContact OG1-CB 3.33Å; T42-E45 WeakPolarHBondContact OG1-CG 3.37Å; T42-E45 PolarHBondContact OG1-N 2.67Å; T42-E45 PolarHBondContact OG1-OE2 3.04Å; E45-V48 PolarHBondContact O-N 2.93Å; E45-Q49 WeakPolarHBondContact O-CB 3.17Å; E45-Q49 WeakPolarHBondContact O-CG 3.26Å; E45-Q49 PolarHBondContact O-N 2.82Å
46	L	88	Confident	82.8	Confident	35 Å²	35	58.1 Å²	58.1	18%	0.183	34%	0.335	C	S	.	.	H	α-helix	trans	-55.8	-53.8	172.4	174.5	66.1	0	0	0	110.4	T42 V48 Q49 Y50 M94 K95	T42-L46 PolarHBondContact O-N 3.33Å; L46-V48 VanDerWaalsContact C-N 3.34Å; L46-V48 PolarHBondContact O-N 3.22Å; L46-Q49 PolarHBondContact O-N 2.98Å; L46-Y50 VanDerWaalsContact O-CB 3.29Å; L46-Y50 WeakPolarHBondContact O-CB 3.43Å; L46-Y50 PolarHBondContact O-N 3.38Å; L46-M94 HydrophobicContact CD2-CB 4.39Å; L46-K95 HydrophobicContact CD2-CD 4.23Å; L46-K95 HydrophobicContact CD2-CG 3.47Å; L46-K95 VanDerWaalsContact CD2-CG 3.47Å
47	A	88.7	Confident	82.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-42.2	-178.8	0	0	0	0	0	112.8	D43 K44 Y50 L51 L86 M94	D43-A47 WeakPolarHBondContact O-CB 3.48Å; D43-A47 PolarHBondContact O-N 3.4Å; K44-A47 PolarHBondContact O-N 2.83Å; A47-Y50 PolarHBondContact O-N 2.82Å; A47-L51 WeakPolarHBondContact O-CB 3.24Å; A47-L51 VanDerWaalsContact O-CG 3.22Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.88Å; A47-L86 HydrophobicContact CB-CD1 3.71Å; A47-L86 HydrophobicContact CB-CD2 3.48Å; A47-L86 VanDerWaalsContact CB-CD2 3.48Å; A47-L86 HydrophobicContact CB-CG 4.25Å; A47-M94 HydrophobicContact CB-SD 3.92Å
48	V	86.8	Confident	82.2	Confident	47 Å²	47	56 Å²	56	29%	0.285	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-43.7	177.7	169.9	0	0	0	0	111.1	K44 E45 L46 N52 L67	K44-V48 VanDerWaalsContact O-CG2 3.29Å; K44-V48 WeakPolarHBondContact O-CG2 3.5Å; K44-V48 PolarHBondContact O-N 3.49Å; E45-V48 PolarHBondContact O-N 2.93Å; L46-V48 VanDerWaalsContact C-N 3.34Å; L46-V48 PolarHBondContact O-N 3.22Å; V48-N52 WeakPolarHBondContact O-CB 3.39Å; V48-N52 PolarHBondContact O-N 3.16Å; V48-L67 HydrophobicContact CG2-CD1 4.14Å
49	Q	87.1	Confident	82	Confident	93 Å²	93	60.3 Å²	60.3	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-67.1	-42.6	178	-71	179.3	9.5	0	0	111.9	K41 E45 L46 N52 K53	K41-Q49 VanDerWaalsContact CD-OE1 3.24Å; E45-Q49 WeakPolarHBondContact O-CB 3.17Å; E45-Q49 WeakPolarHBondContact O-CG 3.26Å; E45-Q49 PolarHBondContact O-N 2.82Å; L46-Q49 PolarHBondContact O-N 2.98Å; Q49-N52 PolarHBondContact O-N 3.06Å; Q49-K53 WeakPolarHBondContact O-CB 3.15Å; Q49-K53 PolarHBondContact O-N 3.44Å
50	Y	91.1	Very high	81.8	Confident	12 Å²	12	63.4 Å²	63.4	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-52.1	177.1	-167.7	-78.4	0	0	0	111.2	L46 A47 N52 K53 Y54 Y55 M74 M94 R98	L46-Y50 VanDerWaalsContact O-CB 3.29Å; L46-Y50 WeakPolarHBondContact O-CB 3.43Å; L46-Y50 PolarHBondContact O-N 3.38Å; A47-Y50 PolarHBondContact O-N 2.82Å; Y50-N52 VanDerWaalsContact C-N 3.33Å; Y50-N52 PolarHBondContact O-N 3.28Å; Y50-K53 PolarHBondContact O-N 3.11Å; Y50-Y54 AromaticContact CD1-CD2 3.63Å; Y50-Y54 HydrophobicContact CD1-CD2 3.63Å; Y50-Y54 HydrophobicContact CD1-CE2 4.15Å; Y50-Y54 AromaticContact CD2-CD2 3.91Å; Y50-Y54 HydrophobicContact CD2-CD2 3.91Å; Y50-Y54 AromaticContact CD2-CE2 3.54Å; Y50-Y54 HydrophobicContact CD2-CE2 3.54Å; Y50-Y54 AromaticContact CE1-CD2 3.57Å; Y50-Y54 HydrophobicContact CE1-CD2 3.57Å; Y50-Y54 HydrophobicContact CE1-CE2 4.18Å; Y50-Y54 AromaticContact CE2-CD2 3.85Å; Y50-Y54 HydrophobicContact CE2-CD2 3.85Å; Y50-Y54 AromaticContact CE2-CE2 3.57Å; Y50-Y54 HydrophobicContact CE2-CE2 3.57Å; Y50-Y54 AromaticContact CG-CD2 3.77Å; Y50-Y54 HydrophobicContact CG-CD2 3.77Å; Y50-Y54 AromaticContact CG-CE2 3.81Å; Y50-Y54 HydrophobicContact CG-CE2 3.81Å; Y50-Y54 AromaticContact CZ-CD2 3.66Å; Y50-Y54 AromaticContact CZ-CE2 3.87Å; Y50-Y54 WeakPolarHBondContact O-CD2 3.34Å; Y50-Y54 PolarHBondContact O-N 3.25Å; Y50-Y55 HydrophobicContact CD1-CE2 4.44Å; Y50-Y55 HydrophobicContact CE1-CD2 4.5Å; Y50-Y55 AromaticContact CE1-CE2 3.94Å; Y50-Y55 HydrophobicContact CE1-CE2 3.94Å; Y50-M74 HydrophobicContact CE1-CE 3.94Å; Y50-M74 HydrophobicContact CE1-CG 4.01Å; Y50-M94 HydrophobicContact CD1-CE 4.02Å; Y50-M94 HydrophobicContact CD1-CG 3.92Å; Y50-M94 HydrophobicContact CD1-SD 4.26Å; Y50-M94 HydrophobicContact CD2-CB 3.78Å; Y50-M94 HydrophobicContact CD2-CG 3.88Å; Y50-M94 HydrophobicContact CE1-CG 4.12Å; Y50-M94 HydrophobicContact CE2-CB 4.01Å; Y50-M94 HydrophobicContact CE2-CG 4.08Å; Y50-M94 HydrophobicContact CG-CB 4.18Å; Y50-M94 HydrophobicContact CG-CE 4.47Å; Y50-M94 HydrophobicContact CG-CG 3.83Å; Y50-M94 HydrophobicContact CG-SD 4.14Å; Y50-R98 VanDerWaalsContact OH-CD 3.3Å; Y50-R98 WeakPolarHBondContact OH-CD 3.27Å; Y50-R98 PolarHBondContact OH-NE 2.78Å
51	L	90	Very high	81.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-69.9	-29.8	-179.9	-63.1	176.5	0	0	0	112.8	A47 Y55 G56 C57 L67 T70 L71 M74 M94	A47-L51 WeakPolarHBondContact O-CB 3.24Å; A47-L51 VanDerWaalsContact O-CG 3.22Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.88Å; L51-Y55 HydrophobicContact CD2-CD2 3.85Å; L51-Y55 HydrophobicContact CD2-CE2 4.47Å; L51-Y55 HydrophobicContact CD2-CG 4.24Å; L51-Y55 CarbonylContact O-C 3.57Å; L51-Y55 VanDerWaalsContact O-C 3.3Å; L51-Y55 WeakPolarHBondContact O-CA 3.22Å; L51-Y55 WeakPolarHBondContact O-CB 3.37Å; L51-Y55 PolarHBondContact O-N 2.97Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; L51-G56 PolarHBondContact O-N 3Å; L51-G56 VanDerWaalsContact O-N 3.12Å; L51-C57 HydrophobicContact CB-CB 4.33Å; L51-C57 PolarHBondContact O-N 3.48Å; L51-C57 VanDerWaalsContact O-N 3.12Å; L51-L67 HydrophobicContact CD1-CD1 3.51Å; L51-L67 HydrophobicContact CD1-CG 4.35Å; L51-T70 HydrophobicContact CB-CG2 4.15Å; L51-T70 HydrophobicContact CD2-CG2 4.16Å; L51-T70 HydrophobicContact CG-CG2 4.5Å; L51-L71 HydrophobicContact CD1-CB 4.17Å; L51-L71 HydrophobicContact CD1-CD1 4.05Å; L51-L71 HydrophobicContact CD2-CD1 4.35Å; L51-M74 HydrophobicContact CD2-CB 3.78Å; L51-M74 HydrophobicContact CD2-CG 4.2Å; L51-M94 HydrophobicContact CD2-CE 4.01Å; L51-M94 HydrophobicContact CG-CE 4.24Å
52	N	86.8	Confident	80.8	Confident	42 Å²	42	61.3 Å²	61.3	23%	0.225	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-47.6	171.4	174	-110	0	0	0	111.1	V48 Q49 Y50 G56 C57 K59	V48-N52 WeakPolarHBondContact O-CB 3.39Å; V48-N52 PolarHBondContact O-N 3.16Å; Q49-N52 PolarHBondContact O-N 3.06Å; Y50-N52 VanDerWaalsContact C-N 3.33Å; Y50-N52 PolarHBondContact O-N 3.28Å; N52-G56 PolarHBondContact O-N 2.95Å; N52-C57 WeakPolarHBondContact CA-O 3.44Å; N52-C57 WeakPolarHBondContact CB-O 3.4Å; N52-C57 PolarHBondContact ND2-O 2.63Å; N52-K59 WeakPolarHBondContact ND2-CG 3.35Å; N52-K59 VanDerWaalsContact OD1-CE 3.31Å; N52-K59 WeakPolarHBondContact OD1-CE 3.44Å
53	K	87.5	Confident	79.8	Confident	68 Å²	68	61.9 Å²	61.9	30%	0.296	32%	0.321	S	S	.	.	H	α-helix	trans	-70.7	-47.9	-174.8	-168.3	165	176.7	150	0	112.2	Q49 Y50 P180 L187	Q49-K53 WeakPolarHBondContact O-CB 3.15Å; Q49-K53 PolarHBondContact O-N 3.44Å; Y50-K53 PolarHBondContact O-N 3.11Å; K53-P180 PolarHBondContact NZ-O 3.12Å; K53-L187 HydrophobicContact CD-CD1 4.09Å
54	Y	91.2	Very high	78.8	Confident	14 Å²	14	65.4 Å²	65.4	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-102.8	-17.9	-170	-44.3	-56.3	0	0	0	115.2	Y50 R98 N101 D103 V104 L187	Y50-Y54 AromaticContact CD1-CD2 3.63Å; Y50-Y54 HydrophobicContact CD1-CD2 3.63Å; Y50-Y54 HydrophobicContact CD1-CE2 4.15Å; Y50-Y54 AromaticContact CD2-CD2 3.91Å; Y50-Y54 HydrophobicContact CD2-CD2 3.91Å; Y50-Y54 AromaticContact CD2-CE2 3.54Å; Y50-Y54 HydrophobicContact CD2-CE2 3.54Å; Y50-Y54 AromaticContact CE1-CD2 3.57Å; Y50-Y54 HydrophobicContact CE1-CD2 3.57Å; Y50-Y54 HydrophobicContact CE1-CE2 4.18Å; Y50-Y54 AromaticContact CE2-CD2 3.85Å; Y50-Y54 HydrophobicContact CE2-CD2 3.85Å; Y50-Y54 AromaticContact CE2-CE2 3.57Å; Y50-Y54 HydrophobicContact CE2-CE2 3.57Å; Y50-Y54 AromaticContact CG-CD2 3.77Å; Y50-Y54 HydrophobicContact CG-CD2 3.77Å; Y50-Y54 AromaticContact CG-CE2 3.81Å; Y50-Y54 HydrophobicContact CG-CE2 3.81Å; Y50-Y54 AromaticContact CZ-CD2 3.66Å; Y50-Y54 AromaticContact CZ-CE2 3.87Å; Y50-Y54 WeakPolarHBondContact O-CD2 3.34Å; Y50-Y54 PolarHBondContact O-N 3.25Å; Y54-R98 VanDerWaalsContact CZ-NH1 3.27Å; Y54-N101 WeakPolarHBondContact CD1-O 3.37Å; Y54-D103 PolarHBondContact O-N 2.85Å; Y54-V104 PolarHBondContact O-N 3.41Å; Y54-L187 HydrophobicContact CE1-CD2 4.12Å; Y54-L187 WeakPolarHBondContact OH-CD2 3.36Å
55	Y	88.6	Confident	77.9	Confident	16 Å²	16	66.2 Å²	66.2	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-119.6	2.6	-177.8	-65.9	-92.8	0	0	0	113.6	Y50 L51 C57 T70 K73 M74 F77 F78 D103 V104	Y50-Y55 HydrophobicContact CD1-CE2 4.44Å; Y50-Y55 HydrophobicContact CE1-CD2 4.5Å; Y50-Y55 AromaticContact CE1-CE2 3.94Å; Y50-Y55 HydrophobicContact CE1-CE2 3.94Å; L51-Y55 HydrophobicContact CD2-CD2 3.85Å; L51-Y55 HydrophobicContact CD2-CE2 4.47Å; L51-Y55 HydrophobicContact CD2-CG 4.24Å; L51-Y55 CarbonylContact O-C 3.57Å; L51-Y55 VanDerWaalsContact O-C 3.3Å; L51-Y55 WeakPolarHBondContact O-CA 3.22Å; L51-Y55 WeakPolarHBondContact O-CB 3.37Å; L51-Y55 PolarHBondContact O-N 2.97Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; Y55-C57 VanDerWaalsContact C-N 3.34Å; Y55-C57 PolarHBondContact O-N 2.87Å; Y55-T70 VanDerWaalsContact CB-CG2 3.41Å; Y55-T70 HydrophobicContact CG-CG2 4.24Å; Y55-K73 HydrophobicContact CD1-CB 4.18Å; Y55-K73 HydrophobicContact CE1-CB 4.33Å; Y55-M74 HydrophobicContact CD1-CB 4.44Å; Y55-M74 HydrophobicContact CD2-CB 4.16Å; Y55-M74 HydrophobicContact CD2-CG 4.39Å; Y55-M74 HydrophobicContact CE1-CB 3.94Å; Y55-M74 HydrophobicContact CE2-CB 3.63Å; Y55-M74 HydrophobicContact CE2-CG 3.57Å; Y55-M74 VanDerWaalsContact CZ-CA 3.44Å; Y55-M74 WeakPolarHBondContact OH-CA 3.29Å; Y55-F77 WeakPolarHBondContact OH-CB 3.41Å; Y55-F78 WeakPolarHBondContact OH-CE2 3.27Å; Y55-D103 HydrophobicContact CE1-CB 3.99Å; Y55-D103 HydrophobicContact CE2-CB 4.05Å; Y55-D103 WeakPolarHBondContact CE2-OD2 3.14Å; Y55-D103 WeakPolarHBondContact OH-CB 3.46Å; Y55-D103 PolarHBondContact OH-OD2 2.01Å; Y55-D103 VanDerWaalsContact OH-OD2 3.1Å; Y55-V104 HydrophobicContact CD1-CG1 3.59Å; Y55-V104 HydrophobicContact CD1-CG2 4.25Å; Y55-V104 HydrophobicContact CE1-CG1 3.76Å
56	G	80	Confident	77.2	Confident	39 Å²	39	63.9 Å²	63.9	40%	0.402	34%	0.335	S	S	.	.			trans	70.5	21.8	173.5	0	0	0	0	0	115	L51 N52 P58	L51-G56 PolarHBondContact O-N 3Å; L51-G56 VanDerWaalsContact O-N 3.12Å; N52-G56 PolarHBondContact O-N 2.95Å; G56-P58 WeakPolarHBondContact O-CD 3.45Å
57	C	73.5	Confident	76.6	Confident	3 Å²	3	63 Å²	63	2%	0.02	33%	0.331	C	S	.	.			trans	-66.5	111.1	176.3	-157.1	0	0	0	0	110.2	L51 N52 Y55 K59 C62 T70	L51-C57 HydrophobicContact CB-CB 4.33Å; L51-C57 PolarHBondContact O-N 3.48Å; L51-C57 VanDerWaalsContact O-N 3.12Å; N52-C57 WeakPolarHBondContact CA-O 3.44Å; N52-C57 WeakPolarHBondContact CB-O 3.4Å; N52-C57 PolarHBondContact ND2-O 2.63Å; Y55-C57 VanDerWaalsContact C-N 3.34Å; Y55-C57 PolarHBondContact O-N 2.87Å; C57-K59 PolarHBondContact O-N 2.63Å; C57-C62 HydrophobicContact CB-CB 4.16Å; C57-C62 WeakPolarHBondContact CB-SG 3.35Å; C57-C62 VanDerWaalsContact SG-CA 3.54Å; C57-C62 WeakPolarHBondContact SG-CB 3.47Å; C57-C62 CovalentContact SG-SG 2.04Å; C57-C62 PolarHBondContact SG-SG 3.1Å; C57-T70 HydrophobicContact CB-CG2 4.36Å
58	P	66.8	Low	76.4	Confident	72 Å²	72	66.5 Å²	66.5	47%	0.468	35%	0.346	S	S	.	.			trans	-64	137	-171.2	-20.1	32.3	0	0	0	112.3	G56 D60 N61 C62	G56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-D60 PolarHBondContact O-N 3.06Å; P58-N61 HydrophobicContact CB-CB 4.42Å; P58-N61 PolarHBondContact O-N 3.43Å; P58-C62 PolarHBondContact O-N 2.85Å
59	K	63.8	Low	76.2	Confident	171 Å²	171	67.6 Å²	67.6	74%	0.743	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.9	-176.9	-69.5	-174.1	178.6	173.6	0	113.3	N52 C57	N52-K59 WeakPolarHBondContact ND2-CG 3.35Å; N52-K59 VanDerWaalsContact OD1-CE 3.31Å; N52-K59 WeakPolarHBondContact OD1-CE 3.44Å; C57-K59 PolarHBondContact O-N 2.63Å
60	D	62.4	Low	76.2	Confident	157 Å²	157	63.8 Å²	63.8	84%	0.84	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.1	-176.4	-55.5	-35.2	0	0	0	114.1	P58	P58-D60 PolarHBondContact O-N 3.06Å
61	N	61.1	Low	76.2	Confident	116 Å²	116	63.3 Å²	63.3	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	8.9	-169.5	-83.6	-23.3	0	0	0	114.9	P58 N63	P58-N61 HydrophobicContact CB-CB 4.42Å; P58-N61 PolarHBondContact O-N 3.43Å; N61-N63 PolarHBondContact O-N 2.83Å
62	C	62.2	Low	76.3	Confident	28 Å²	28	66.4 Å²	66.4	19%	0.189	35%	0.345	C	S	.	.			trans	-73.5	64.8	173.5	-146.6	0	0	0	0	110.9	C57 P58	C57-C62 HydrophobicContact CB-CB 4.16Å; C57-C62 WeakPolarHBondContact CB-SG 3.35Å; C57-C62 VanDerWaalsContact SG-CA 3.54Å; C57-C62 WeakPolarHBondContact SG-CB 3.47Å; C57-C62 CovalentContact SG-SG 2.04Å; C57-C62 PolarHBondContact SG-SG 3.1Å; P58-C62 PolarHBondContact O-N 2.85Å
63	N	64.8	Low	76.5	Confident	90 Å²	90	70.6 Å²	70.6	48%	0.481	36%	0.361	S	S	.	.			trans	-69	166.7	173.7	72.3	29.7	0	0	0	110.4	N61 F65 V66 L67	N61-N63 PolarHBondContact O-N 2.83Å; N63-F65 PolarHBondContact O-N 2.88Å; N63-F65 WeakPolarHBondContact OD1-CB 3.35Å; N63-F65 PolarHBondContact OD1-N 3.02Å; N63-F65 VanDerWaalsContact OD1-N 3.08Å; N63-V66 PolarHBondContact O-N 3.23Å; N63-V66 WeakPolarHBondContact OD1-CG2 3.22Å; N63-V66 PolarHBondContact OD1-N 3.34Å; N63-L67 WeakPolarHBondContact O-CB 3.33Å; N63-L67 PolarHBondContact O-N 3.48Å
64	L	64.1	Low	76.8	Confident	140 Å²	140	67.3 Å²	67.3	73%	0.733	35%	0.347	S	S	*	.	H	α-helix	trans	-55.6	-29.8	-175.5	-160.9	78	0	0	0	113.4	K68	L64-K68 PolarHBondContact O-N 3.24Å
65	F	65.3	Low	76.9	Confident	149 Å²	149	66.7 Å²	66.7	65%	0.654	34%	0.344	S	S	*	.	H	α-helix	trans	-77.9	-46.6	179.8	-172.6	-92.7	0	0	0	112	N63 L67 K68 D69	N63-F65 PolarHBondContact O-N 2.88Å; N63-F65 WeakPolarHBondContact OD1-CB 3.35Å; N63-F65 PolarHBondContact OD1-N 3.02Å; N63-F65 VanDerWaalsContact OD1-N 3.08Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 3.22Å; F65-K68 WeakPolarHBondContact O-CB 3.11Å; F65-K68 PolarHBondContact O-N 2.85Å; F65-D69 PolarHBondContact O-N 3.48Å
66	V	72.5	Confident	77	Confident	50 Å²	50	71.7 Å²	71.7	30%	0.303	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-37.3	174.9	177.9	0	0	0	0	110.5	N63 K68 D69 T70	N63-V66 PolarHBondContact O-N 3.23Å; N63-V66 WeakPolarHBondContact OD1-CG2 3.22Å; N63-V66 PolarHBondContact OD1-N 3.34Å; V66-K68 VanDerWaalsContact C-N 3.34Å; V66-K68 PolarHBondContact O-N 1.99Å; V66-D69 PolarHBondContact O-N 2.88Å; V66-T70 WeakPolarHBondContact O-CB 3.49Å; V66-T70 PolarHBondContact O-N 3.29Å; V66-T70 PolarHBondContact O-OG1 2.68Å
67	L	74.5	Confident	77.6	Confident	16 Å²	16	70.5 Å²	70.5	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-59.5	-45.3	173.9	-171.1	73.7	0	0	0	110.7	V48 L51 N63 F65 T70 L71	V48-L67 HydrophobicContact CG2-CD1 4.14Å; L51-L67 HydrophobicContact CD1-CD1 3.51Å; L51-L67 HydrophobicContact CD1-CG 4.35Å; N63-L67 WeakPolarHBondContact O-CB 3.33Å; N63-L67 PolarHBondContact O-N 3.48Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 3.22Å; L67-T70 PolarHBondContact O-N 2.95Å; L67-L71 WeakPolarHBondContact O-CB 3.07Å; L67-L71 PolarHBondContact O-N 3.43Å
68	K	83.8	Confident	78.4	Confident	74 Å²	74	72.3 Å²	72.3	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-46.4	-179.6	-174.4	155.5	-167.9	140.6	0	112.5	L64 F65 V66 L71 K72 T83 G84 D85	L64-K68 PolarHBondContact O-N 3.24Å; F65-K68 WeakPolarHBondContact O-CB 3.11Å; F65-K68 PolarHBondContact O-N 2.85Å; V66-K68 VanDerWaalsContact C-N 3.34Å; V66-K68 PolarHBondContact O-N 1.99Å; K68-L71 PolarHBondContact O-N 3Å; K68-K72 WeakPolarHBondContact O-CG 3.43Å; K68-K72 PolarHBondContact O-N 3.18Å; K68-K72 VanDerWaalsContact O-N 3.09Å; K68-T83 WeakPolarHBondContact CE-O 3.49Å; K68-T83 PolarHBondContact NZ-O 3.41Å; K68-G84 WeakPolarHBondContact CG-O 3.48Å; K68-D85 IonicContact NZ-OD1 3.46Å; K68-D85 PolarHBondContact NZ-OD1 3.17Å; K68-D85 IonicContact NZ-OD2 2.84Å
69	D	83.9	Confident	79.4	Confident	70 Å²	70	71.6 Å²	71.6	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-70.3	-37.2	179.6	-72.5	-22.3	0	0	0	112.4	F65 V66 K72 K73	F65-D69 PolarHBondContact O-N 3.48Å; V66-D69 PolarHBondContact O-N 2.88Å; D69-K72 PolarHBondContact O-N 2.89Å; D69-K73 PolarHBondContact O-N 2.67Å
70	T	86.9	Confident	80.6	Confident	12 Å²	12	64.4 Å²	64.4	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-69	-38.5	176.3	-49.4	0	0	0	0	111	L51 Y55 C57 V66 L67 K72 K73 M74	L51-T70 HydrophobicContact CB-CG2 4.15Å; L51-T70 HydrophobicContact CD2-CG2 4.16Å; L51-T70 HydrophobicContact CG-CG2 4.5Å; Y55-T70 VanDerWaalsContact CB-CG2 3.41Å; Y55-T70 HydrophobicContact CG-CG2 4.24Å; C57-T70 HydrophobicContact CB-CG2 4.36Å; V66-T70 WeakPolarHBondContact O-CB 3.49Å; V66-T70 PolarHBondContact O-N 3.29Å; V66-T70 PolarHBondContact O-OG1 2.68Å; L67-T70 PolarHBondContact O-N 2.95Å; T70-K72 VanDerWaalsContact C-N 3.31Å; T70-K72 PolarHBondContact O-N 2.87Å; T70-K73 WeakPolarHBondContact O-CB 3.37Å; T70-K73 PolarHBondContact O-N 2.84Å; T70-K73 VanDerWaalsContact O-N 3.14Å; T70-M74 PolarHBondContact O-N 3.38Å; T70-M74 VanDerWaalsContact O-N 3.09Å
71	L	90.7	Very high	81.7	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-37.4	176.6	-169.3	63	0	0	0	111.5	L51 L67 K68 K73 M74 Q75 L86 T90 M94	L51-L71 HydrophobicContact CD1-CB 4.17Å; L51-L71 HydrophobicContact CD1-CD1 4.05Å; L51-L71 HydrophobicContact CD2-CD1 4.35Å; L67-L71 WeakPolarHBondContact O-CB 3.07Å; L67-L71 PolarHBondContact O-N 3.43Å; K68-L71 PolarHBondContact O-N 3Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.94Å; L71-M74 PolarHBondContact O-N 3.1Å; L71-Q75 WeakPolarHBondContact O-CB 3.35Å; L71-Q75 VanDerWaalsContact O-CG 3.31Å; L71-Q75 WeakPolarHBondContact O-CG 3.19Å; L71-Q75 PolarHBondContact O-N 2.88Å; L71-L86 HydrophobicContact CD1-CD2 3.84Å; L71-L86 HydrophobicContact CD2-CD2 3.66Å; L71-L86 HydrophobicContact CD2-CG 3.87Å; L71-L86 HydrophobicContact CG-CD2 4.45Å; L71-T90 HydrophobicContact CD1-CG2 3.77Å; L71-T90 HydrophobicContact CG-CG2 4.46Å; L71-M94 HydrophobicContact CD1-CE 3.37Å
72	K	91.4	Very high	83.2	Confident	66 Å²	66	60.4 Å²	60.4	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-38.8	172.2	-72.3	174.8	-178.7	173.2	0	112.9	K68 D69 T70 M74 Q75 K76 E82	K68-K72 WeakPolarHBondContact O-CG 3.43Å; K68-K72 PolarHBondContact O-N 3.18Å; K68-K72 VanDerWaalsContact O-N 3.09Å; D69-K72 PolarHBondContact O-N 2.89Å; T70-K72 VanDerWaalsContact C-N 3.31Å; T70-K72 PolarHBondContact O-N 2.87Å; K72-M74 VanDerWaalsContact C-N 3.31Å; K72-M74 PolarHBondContact O-N 2.85Å; K72-Q75 PolarHBondContact O-N 3Å; K72-K76 VanDerWaalsContact O-CB 3.26Å; K72-K76 WeakPolarHBondContact O-CB 3.3Å; K72-K76 PolarHBondContact O-N 3.22Å; K72-E82 HydrophobicContact CB-CB 4.47Å; K72-E82 HydrophobicContact CG-CB 4.35Å
73	K	91.3	Very high	84.6	Confident	129 Å²	129	61.4 Å²	61.4	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-61.9	-42.2	174.9	-64.9	177.4	-175.9	178	0	111.2	Y55 D69 T70 L71 F77	Y55-K73 HydrophobicContact CD1-CB 4.18Å; Y55-K73 HydrophobicContact CE1-CB 4.33Å; D69-K73 PolarHBondContact O-N 2.67Å; T70-K73 WeakPolarHBondContact O-CB 3.37Å; T70-K73 PolarHBondContact O-N 2.84Å; T70-K73 VanDerWaalsContact O-N 3.14Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.94Å; K73-F77 WeakPolarHBondContact O-CB 3.47Å; K73-F77 PolarHBondContact O-N 3.1Å
74	M	93.8	Very high	85.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-49.2	175.1	-178.3	-85	-177.1	0	0	111.7	Y50 L51 Y55 T70 L71 K72 K76 F77 F78 T90 T93 M94	Y50-M74 HydrophobicContact CE1-CE 3.94Å; Y50-M74 HydrophobicContact CE1-CG 4.01Å; L51-M74 HydrophobicContact CD2-CB 3.78Å; L51-M74 HydrophobicContact CD2-CG 4.2Å; Y55-M74 HydrophobicContact CD1-CB 4.44Å; Y55-M74 HydrophobicContact CD2-CB 4.16Å; Y55-M74 HydrophobicContact CD2-CG 4.39Å; Y55-M74 HydrophobicContact CE1-CB 3.94Å; Y55-M74 HydrophobicContact CE2-CB 3.63Å; Y55-M74 HydrophobicContact CE2-CG 3.57Å; Y55-M74 VanDerWaalsContact CZ-CA 3.44Å; Y55-M74 WeakPolarHBondContact OH-CA 3.29Å; T70-M74 PolarHBondContact O-N 3.38Å; T70-M74 VanDerWaalsContact O-N 3.09Å; L71-M74 PolarHBondContact O-N 3.1Å; K72-M74 VanDerWaalsContact C-N 3.31Å; K72-M74 PolarHBondContact O-N 2.85Å; M74-K76 VanDerWaalsContact C-N 3.29Å; M74-K76 PolarHBondContact O-N 2.83Å; M74-F77 WeakPolarHBondContact O-CB 3.48Å; M74-F77 PolarHBondContact O-N 3.47Å; M74-F77 VanDerWaalsContact O-N 3.14Å; M74-F78 HydrophobicContact CE-CD2 3.51Å; M74-F78 HydrophobicContact CE-CE2 3.71Å; M74-F78 HydrophobicContact CE-CG 4.45Å; M74-F78 HydrophobicContact CG-CD2 3.95Å; M74-F78 HydrophobicContact CG-CE2 4.01Å; M74-F78 VanDerWaalsContact O-CD2 3.29Å; M74-F78 WeakPolarHBondContact O-CD2 3.3Å; M74-F78 PolarHBondContact O-N 3.13Å; M74-F78 VanDerWaalsContact O-N 3.1Å; M74-F78 HydrophobicContact SD-CD2 3.85Å; M74-F78 HydrophobicContact SD-CE2 4.36Å; M74-T90 HydrophobicContact SD-CG2 4.15Å; M74-T93 HydrophobicContact CE-CG2 3.94Å; M74-M94 HydrophobicContact CE-CE 3.81Å; M74-M94 HydrophobicContact CE-CG 3.44Å; M74-M94 VanDerWaalsContact CE-CG 3.44Å; M74-M94 HydrophobicContact CG-CE 4.06Å; M74-M94 HydrophobicContact SD-CE 3.72Å
75	Q	93.4	Very high	86.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-44.9	177.1	-74.2	170.6	-30.2	0	0	111.5	L71 K72 F77 F78 G79 L80 P81 T83 D85 T90	L71-Q75 WeakPolarHBondContact O-CB 3.35Å; L71-Q75 VanDerWaalsContact O-CG 3.31Å; L71-Q75 WeakPolarHBondContact O-CG 3.19Å; L71-Q75 PolarHBondContact O-N 2.88Å; K72-Q75 PolarHBondContact O-N 3Å; Q75-F77 PolarHBondContact O-N 3.44Å; Q75-F78 CarbonylContact O-C 3.56Å; Q75-F78 PolarHBondContact O-N 2.89Å; Q75-G79 PolarHBondContact O-N 3.28Å; Q75-G79 VanDerWaalsContact O-N 3.12Å; Q75-L80 HydrophobicContact CB-CB 3.97Å; Q75-L80 HydrophobicContact CG-CB 4.19Å; Q75-L80 HydrophobicContact CG-CD1 4.48Å; Q75-L80 WeakPolarHBondContact O-CA 3.37Å; Q75-L80 WeakPolarHBondContact O-CB 3.47Å; Q75-L80 PolarHBondContact O-N 3.01Å; Q75-P81 VanDerWaalsContact CD-O 3.24Å; Q75-P81 PolarHBondContact OE1-O 2.79Å; Q75-T83 PolarHBondContact NE2-OG1 3.16Å; Q75-T83 VanDerWaalsContact OE1-N 3.09Å; Q75-D85 PolarHBondContact NE2-O 3.33Å; Q75-D85 VanDerWaalsContact NE2-O 3.09Å; Q75-T90 HydrophobicContact CG-CG2 4.24Å; Q75-T90 PolarHBondContact NE2-OG1 3.06Å; Q75-T90 VanDerWaalsContact NE2-OG1 3.1Å
76	K	91.3	Very high	88	Confident	121 Å²	121	50.6 Å²	50.6	53%	0.526	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-48.6	175.5	-176.2	-175.7	173.1	-166.3	0	111.9	K72 M74 F78 G79 E82	K72-K76 VanDerWaalsContact O-CB 3.26Å; K72-K76 WeakPolarHBondContact O-CB 3.3Å; K72-K76 PolarHBondContact O-N 3.22Å; M74-K76 VanDerWaalsContact C-N 3.29Å; M74-K76 PolarHBondContact O-N 2.83Å; K76-F78 PolarHBondContact O-N 3.17Å; K76-G79 PolarHBondContact O-N 2.91Å; K76-E82 HydrophobicContact CB-CG 4.03Å
77	F	91.4	Very high	88.8	Confident	14 Å²	14	50.4 Å²	50.4	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-41.2	-179.8	-173.4	-79.8	0	0	0	111.7	Y55 K73 M74 Q75 G79 D103 H410 S411 E412 P420	Y55-F77 WeakPolarHBondContact OH-CB 3.41Å; K73-F77 WeakPolarHBondContact O-CB 3.47Å; K73-F77 PolarHBondContact O-N 3.1Å; M74-F77 WeakPolarHBondContact O-CB 3.48Å; M74-F77 PolarHBondContact O-N 3.47Å; M74-F77 VanDerWaalsContact O-N 3.14Å; Q75-F77 PolarHBondContact O-N 3.44Å; F77-G79 VanDerWaalsContact C-N 3.35Å; F77-D103 HydrophobicContact CD2-CB 4.16Å; F77-D103 HydrophobicContact CE2-CB 4.05Å; F77-D103 HydrophobicContact CG-CB 4.46Å; F77-D103 HydrophobicContact CZ-CB 4.27Å; F77-H410 HydrophobicContact CZ-CB 3.96Å; F77-S411 WeakPolarHBondContact CZ-O 3.33Å; F77-E412 HydrophobicContact CD2-CG 3.62Å; F77-E412 HydrophobicContact CE2-CG 3.65Å; F77-E412 HydrophobicContact CG-CG 4.14Å; F77-E412 HydrophobicContact CZ-CG 4.15Å; F77-P420 HydrophobicContact CE1-CG 3.58Å; F77-P420 HydrophobicContact CZ-CG 4.17Å
78	F	91.1	Very high	89.4	Confident	41 Å²	41	55.1 Å²	55.1	18%	0.18	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.1	179.4	-68.8	-71.2	0	0	0	114.4	Y55 M74 Q75 K76 L80 T93 P420 I421	Y55-F78 WeakPolarHBondContact OH-CE2 3.27Å; M74-F78 HydrophobicContact CE-CD2 3.51Å; M74-F78 HydrophobicContact CE-CE2 3.71Å; M74-F78 HydrophobicContact CE-CG 4.45Å; M74-F78 HydrophobicContact CG-CD2 3.95Å; M74-F78 HydrophobicContact CG-CE2 4.01Å; M74-F78 VanDerWaalsContact O-CD2 3.29Å; M74-F78 WeakPolarHBondContact O-CD2 3.3Å; M74-F78 PolarHBondContact O-N 3.13Å; M74-F78 VanDerWaalsContact O-N 3.1Å; M74-F78 HydrophobicContact SD-CD2 3.85Å; M74-F78 HydrophobicContact SD-CE2 4.36Å; Q75-F78 CarbonylContact O-C 3.56Å; Q75-F78 PolarHBondContact O-N 2.89Å; K76-F78 PolarHBondContact O-N 3.17Å; F78-L80 HydrophobicContact CB-CD1 4.32Å; F78-L80 HydrophobicContact CB-CG 4.13Å; F78-L80 PolarHBondContact O-N 2.97Å; F78-T93 HydrophobicContact CB-CG2 4.2Å; F78-T93 HydrophobicContact CD1-CG2 4.02Å; F78-T93 HydrophobicContact CD2-CG2 4.2Å; F78-T93 HydrophobicContact CG-CG2 3.86Å; F78-P420 HydrophobicContact CE1-CG 3.7Å; F78-P420 HydrophobicContact CZ-CG 3.75Å; F78-I421 HydrophobicContact CD1-CD1 3.7Å; F78-I421 HydrophobicContact CD1-CG1 4.48Å; F78-I421 HydrophobicContact CE1-CD1 3.35Å; F78-I421 HydrophobicContact CE1-CG1 3.69Å; F78-I421 HydrophobicContact CZ-CD1 4.12Å; F78-I421 HydrophobicContact CZ-CG1 4.28Å
79	G	87.5	Confident	89.5	Confident	58 Å²	58	54.6 Å²	54.6	60%	0.598	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	21.3	-179.2	0	0	0	0	0	114.7	Q75 K76 F77	Q75-G79 PolarHBondContact O-N 3.28Å; Q75-G79 VanDerWaalsContact O-N 3.12Å; K76-G79 PolarHBondContact O-N 2.91Å; F77-G79 VanDerWaalsContact C-N 3.35Å
80	L	88.8	Confident	89.9	Confident	19 Å²	19	51.3 Å²	51.3	10%	0.099	27%	0.27	C	S	.	.			trans	-83.2	158.5	175.5	-59.7	177.4	0	0	0	111.2	Q75 F78 E82 N89	Q75-L80 HydrophobicContact CB-CB 3.97Å; Q75-L80 HydrophobicContact CG-CB 4.19Å; Q75-L80 HydrophobicContact CG-CD1 4.48Å; Q75-L80 WeakPolarHBondContact O-CA 3.37Å; Q75-L80 WeakPolarHBondContact O-CB 3.47Å; Q75-L80 PolarHBondContact O-N 3.01Å; F78-L80 HydrophobicContact CB-CD1 4.32Å; F78-L80 HydrophobicContact CB-CG 4.13Å; F78-L80 PolarHBondContact O-N 2.97Å; L80-E82 PolarHBondContact O-N 3.24Å; L80-N89 HydrophobicContact CD2-CB 4.39Å
81	P	86.8	Confident	90.1	Very high	74 Å²	74	51.2 Å²	51.2	48%	0.481	27%	0.27	S	S	.	.			trans	-57.9	125.3	171.8	-23.7	35	0	0	0	111.8	Q75 T83	Q75-P81 VanDerWaalsContact CD-O 3.24Å; Q75-P81 PolarHBondContact OE1-O 2.79Å; P81-T83 HydrophobicContact CB-CG2 4.1Å; P81-T83 PolarHBondContact O-N 2.88Å
82	E	91.7	Very high	90	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	29%	0.288	S	S	.	.			trans	-74.9	57.3	-178.1	-61.4	-178.9	-127	0	0	113.1	K72 K76 L80	K72-E82 HydrophobicContact CB-CB 4.47Å; K72-E82 HydrophobicContact CG-CB 4.35Å; K76-E82 HydrophobicContact CB-CG 4.03Å; L80-E82 PolarHBondContact O-N 3.24Å
83	T	90.6	Very high	90	Very high	50 Å²	50	52.7 Å²	52.7	31%	0.307	28%	0.278	S	S	.	.			trans	-72	-33.7	-179.5	60.7	0	0	0	0	111.7	K68 Q75 P81 D85 D87	K68-T83 WeakPolarHBondContact CE-O 3.49Å; K68-T83 PolarHBondContact NZ-O 3.41Å; Q75-T83 PolarHBondContact NE2-OG1 3.16Å; Q75-T83 VanDerWaalsContact OE1-N 3.09Å; P81-T83 HydrophobicContact CB-CG2 4.1Å; P81-T83 PolarHBondContact O-N 2.88Å; T83-D85 PolarHBondContact O-N 2.89Å; T83-D85 PolarHBondContact OG1-N 3.3Å; T83-D85 VanDerWaalsContact OG1-N 3.1Å; T83-D85 PolarHBondContact OG1-O 3.25Å; T83-D87 PolarHBondContact OG1-OD2 2.9Å
84	G	88.7	Confident	90.1	Very high	6 Å²	6	47 Å²	47	6%	0.062	25%	0.254	C	S	.	.			trans	66.4	18.8	-166.5	0	0	0	0	0	113	K68	K68-G84 WeakPolarHBondContact CG-O 3.48Å
85	D	90.3	Very high	90	Very high	89 Å²	89	52.5 Å²	52.5	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-111.6	147.7	174.8	-56	-35.5	0	0	0	109.2	K68 Q75 T83 D87	K68-D85 IonicContact NZ-OD1 3.46Å; K68-D85 PolarHBondContact NZ-OD1 3.17Å; K68-D85 IonicContact NZ-OD2 2.84Å; Q75-D85 PolarHBondContact NE2-O 3.33Å; Q75-D85 VanDerWaalsContact NE2-O 3.09Å; T83-D85 PolarHBondContact O-N 2.89Å; T83-D85 PolarHBondContact OG1-N 3.3Å; T83-D85 VanDerWaalsContact OG1-N 3.1Å; T83-D85 PolarHBondContact OG1-O 3.25Å; D85-D87 PolarHBondContact O-N 3.43Å
86	L	88.1	Confident	90	Very high	57 Å²	57	55.8 Å²	55.8	30%	0.298	29%	0.292	S	S	.	.			trans	-78.6	74.9	177.1	-71.7	172.4	0	0	0	110.3	A47 L71 T90 I91	A47-L86 HydrophobicContact CB-CD1 3.71Å; A47-L86 HydrophobicContact CB-CD2 3.48Å; A47-L86 VanDerWaalsContact CB-CD2 3.48Å; A47-L86 HydrophobicContact CB-CG 4.25Å; L71-L86 HydrophobicContact CD1-CD2 3.84Å; L71-L86 HydrophobicContact CD2-CD2 3.66Å; L71-L86 HydrophobicContact CD2-CG 3.87Å; L71-L86 HydrophobicContact CG-CD2 4.45Å; L86-T90 HydrophobicContact CD2-CG2 4.38Å; L86-I91 HydrophobicContact CB-CD1 4.31Å; L86-I91 HydrophobicContact CB-CG1 4.4Å
87	D	88.3	Confident	90.2	Very high	45 Å²	45	51.4 Å²	51.4	24%	0.241	28%	0.276	C	S	.	.			trans	-76.1	164.2	171.7	61.1	57	0	0	0	112.4	T83 D85 N89 T90 I91	T83-D87 PolarHBondContact OG1-OD2 2.9Å; D85-D87 PolarHBondContact O-N 3.43Å; D87-N89 VanDerWaalsContact C-N 3.31Å; D87-N89 PolarHBondContact O-N 3.1Å; D87-N89 PolarHBondContact OD1-N 3.28Å; D87-T90 VanDerWaalsContact CG-OG1 3.25Å; D87-T90 WeakPolarHBondContact O-CB 3.02Å; D87-T90 PolarHBondContact O-N 3.25Å; D87-T90 VanDerWaalsContact O-N 3.13Å; D87-T90 WeakPolarHBondContact OD1-CB 3.49Å; D87-T90 PolarHBondContact OD1-N 2.72Å; D87-T90 PolarHBondContact OD1-OG1 2.88Å; D87-T90 PolarHBondContact OD2-OG1 3.33Å; D87-I91 WeakPolarHBondContact O-CG1 3.48Å; D87-I91 PolarHBondContact O-N 3.14Å
88	Q	87.5	Confident	90.5	Very high	116 Å²	116	51 Å²	51	54%	0.542	27%	0.274	S	S	.	.	H	α-helix	trans	-57	-42.4	-175	-175.1	63.1	27.3	0	0	112.3	T90 I91 E92	Q88-T90 VanDerWaalsContact C-N 3.34Å; Q88-T90 PolarHBondContact O-N 3.15Å; Q88-I91 PolarHBondContact O-N 2.82Å; Q88-E92 HydrophobicContact CG-CG 4.48Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.26Å; Q88-E92 PolarHBondContact NE2-OE1 2.8Å; Q88-E92 WeakPolarHBondContact O-CB 3.49Å; Q88-E92 VanDerWaalsContact O-CG 3.3Å; Q88-E92 WeakPolarHBondContact O-CG 3.32Å; Q88-E92 PolarHBondContact O-N 3.31Å
89	N	86.6	Confident	90.8	Very high	63 Å²	63	49.3 Å²	49.3	34%	0.337	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-38.3	179.3	-72.1	-18.9	0	0	0	111.8	L80 D87 T93	L80-N89 HydrophobicContact CD2-CB 4.39Å; D87-N89 VanDerWaalsContact C-N 3.31Å; D87-N89 PolarHBondContact O-N 3.1Å; D87-N89 PolarHBondContact OD1-N 3.28Å; N89-T93 WeakPolarHBondContact O-CB 3.19Å; N89-T93 PolarHBondContact O-N 2.99Å; N89-T93 PolarHBondContact O-OG1 3.4Å
90	T	91.4	Very high	91.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-46.7	176.1	-58	0	0	0	0	110.9	L71 M74 Q75 L86 D87 Q88 T93 M94	L71-T90 HydrophobicContact CD1-CG2 3.77Å; L71-T90 HydrophobicContact CG-CG2 4.46Å; M74-T90 HydrophobicContact SD-CG2 4.15Å; Q75-T90 HydrophobicContact CG-CG2 4.24Å; Q75-T90 PolarHBondContact NE2-OG1 3.06Å; Q75-T90 VanDerWaalsContact NE2-OG1 3.1Å; L86-T90 HydrophobicContact CD2-CG2 4.38Å; D87-T90 VanDerWaalsContact CG-OG1 3.25Å; D87-T90 WeakPolarHBondContact O-CB 3.02Å; D87-T90 PolarHBondContact O-N 3.25Å; D87-T90 VanDerWaalsContact O-N 3.13Å; D87-T90 WeakPolarHBondContact OD1-CB 3.49Å; D87-T90 PolarHBondContact OD1-N 2.72Å; D87-T90 PolarHBondContact OD1-OG1 2.88Å; D87-T90 PolarHBondContact OD2-OG1 3.33Å; Q88-T90 VanDerWaalsContact C-N 3.34Å; Q88-T90 PolarHBondContact O-N 3.15Å; T90-T93 PolarHBondContact O-N 2.97Å; T90-M94 HydrophobicContact CG2-CE 4Å; T90-M94 WeakPolarHBondContact O-CG 2.98Å; T90-M94 PolarHBondContact O-N 3.39Å
91	I	91.1	Very high	91.5	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-45.3	178	-65.6	163.4	0	0	0	111	D43 L86 D87 Q88 T93 M94 K95	D43-I91 HydrophobicContact CB-CD1 3.82Å; D43-I91 HydrophobicContact CB-CG1 4.27Å; D43-I91 HydrophobicContact CB-CG2 4.32Å; D43-I91 WeakPolarHBondContact OD1-CG2 3.34Å; L86-I91 HydrophobicContact CB-CD1 4.31Å; L86-I91 HydrophobicContact CB-CG1 4.4Å; D87-I91 WeakPolarHBondContact O-CG1 3.48Å; D87-I91 PolarHBondContact O-N 3.14Å; Q88-I91 PolarHBondContact O-N 2.82Å; I91-T93 VanDerWaalsContact C-N 3.25Å; I91-T93 PolarHBondContact O-N 2.02Å; I91-M94 PolarHBondContact O-N 2.93Å; I91-K95 HydrophobicContact CG2-CD 4Å; I91-K95 VanDerWaalsContact CG2-CE 3.47Å; I91-K95 WeakPolarHBondContact O-CG 3.41Å; I91-K95 PolarHBondContact O-N 2.9Å
92	E	89.2	Confident	91.7	Very high	84 Å²	84	45.3 Å²	45.3	39%	0.393	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-38.7	176.9	-77.2	175.2	-169.3	0	0	111.7	Q88 K95 K96	Q88-E92 HydrophobicContact CG-CG 4.48Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.26Å; Q88-E92 PolarHBondContact NE2-OE1 2.8Å; Q88-E92 WeakPolarHBondContact O-CB 3.49Å; Q88-E92 VanDerWaalsContact O-CG 3.3Å; Q88-E92 WeakPolarHBondContact O-CG 3.32Å; Q88-E92 PolarHBondContact O-N 3.31Å; E92-K95 PolarHBondContact O-N 3.2Å; E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 2.82Å
93	T	92.1	Very high	91.6	Very high	15 Å²	15	40.5 Å²	40.5	9%	0.092	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-44.7	175.8	-58.2	0	0	0	0	111.5	M74 F78 N89 T90 I91 K95 K96 I421	M74-T93 HydrophobicContact CE-CG2 3.94Å; F78-T93 HydrophobicContact CB-CG2 4.2Å; F78-T93 HydrophobicContact CD1-CG2 4.02Å; F78-T93 HydrophobicContact CD2-CG2 4.2Å; F78-T93 HydrophobicContact CG-CG2 3.86Å; N89-T93 WeakPolarHBondContact O-CB 3.19Å; N89-T93 PolarHBondContact O-N 2.99Å; N89-T93 PolarHBondContact O-OG1 3.4Å; T90-T93 PolarHBondContact O-N 2.97Å; I91-T93 VanDerWaalsContact C-N 3.25Å; I91-T93 PolarHBondContact O-N 2.02Å; T93-K95 PolarHBondContact O-N 2.94Å; T93-K96 WeakPolarHBondContact O-CB 3.39Å; T93-K96 PolarHBondContact O-N 3.04Å; T93-K96 VanDerWaalsContact O-N 3.15Å; T93-I421 HydrophobicContact CG2-CD1 3.64Å
94	M	92.4	Very high	91.1	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-23.4	177	-71.5	-179.7	176.3	0	0	114	L46 A47 Y50 L51 L71 M74 T90 I91	L46-M94 HydrophobicContact CD2-CB 4.39Å; A47-M94 HydrophobicContact CB-SD 3.92Å; Y50-M94 HydrophobicContact CD1-CE 4.02Å; Y50-M94 HydrophobicContact CD1-CG 3.92Å; Y50-M94 HydrophobicContact CD1-SD 4.26Å; Y50-M94 HydrophobicContact CD2-CB 3.78Å; Y50-M94 HydrophobicContact CD2-CG 3.88Å; Y50-M94 HydrophobicContact CE1-CG 4.12Å; Y50-M94 HydrophobicContact CE2-CB 4.01Å; Y50-M94 HydrophobicContact CE2-CG 4.08Å; Y50-M94 HydrophobicContact CG-CB 4.18Å; Y50-M94 HydrophobicContact CG-CE 4.47Å; Y50-M94 HydrophobicContact CG-CG 3.83Å; Y50-M94 HydrophobicContact CG-SD 4.14Å; L51-M94 HydrophobicContact CD2-CE 4.01Å; L51-M94 HydrophobicContact CG-CE 4.24Å; L71-M94 HydrophobicContact CD1-CE 3.37Å; M74-M94 HydrophobicContact CE-CE 3.81Å; M74-M94 HydrophobicContact CE-CG 3.44Å; M74-M94 VanDerWaalsContact CE-CG 3.44Å; M74-M94 HydrophobicContact CG-CE 4.06Å; M74-M94 HydrophobicContact SD-CE 3.72Å; T90-M94 HydrophobicContact CG2-CE 4Å; T90-M94 WeakPolarHBondContact O-CG 2.98Å; T90-M94 PolarHBondContact O-N 3.39Å; I91-M94 PolarHBondContact O-N 2.93Å
95	K	91.4	Very high	89.6	Confident	116 Å²	116	43.2 Å²	43.2	50%	0.504	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.4	177.8	-73.1	176.6	179.8	168.4	0	113.1	D43 L46 I91 E92 T93	D43-K95 WeakPolarHBondContact OD1-CE 3.21Å; D43-K95 IonicContact OD1-NZ 3.07Å; D43-K95 PolarHBondContact OD1-NZ 2.84Å; L46-K95 HydrophobicContact CD2-CD 4.23Å; L46-K95 HydrophobicContact CD2-CG 3.47Å; L46-K95 VanDerWaalsContact CD2-CG 3.47Å; I91-K95 HydrophobicContact CG2-CD 4Å; I91-K95 VanDerWaalsContact CG2-CE 3.47Å; I91-K95 WeakPolarHBondContact O-CG 3.41Å; I91-K95 PolarHBondContact O-N 2.9Å; E92-K95 PolarHBondContact O-N 3.2Å; T93-K95 PolarHBondContact O-N 2.94Å
96	K	92.8	Very high	87.7	Confident	69 Å²	69	44.4 Å²	44.4	30%	0.3	24%	0.238	S	C	.	.	S	Bend	trans	-73.2	140.7	179.3	-67.4	-177.2	-177.7	177.5	0	110.5	E92 T93 I421	E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 2.82Å; T93-K96 WeakPolarHBondContact O-CB 3.39Å; T93-K96 PolarHBondContact O-N 3.04Å; T93-K96 VanDerWaalsContact O-N 3.15Å; K96-I421 HydrophobicContact CB-CD1 4.46Å; K96-I421 HydrophobicContact CB-CG2 3.8Å; K96-I421 HydrophobicContact CD-CD1 4.24Å; K96-I421 HydrophobicContact CD-CG2 3.83Å; K96-I421 HydrophobicContact CG-CG2 4.46Å
97	P	95.8	Very high	85.6	Confident	30 Å²	30	45.4 Å²	45.4	20%	0.195	24%	0.239	C	C	.	.			trans	-57.9	139.1	172.7	-21.3	32.5	0	0	0	111.3	G186 L188 Y392 Y422	P97-G186 CarbonylContact C-O 3.27Å; P97-G186 WeakPolarHBondContact CA-O 3.34Å; P97-L188 HydrophobicContact CB-CD1 4.19Å; P97-L188 HydrophobicContact CB-CD2 4.02Å; P97-L188 HydrophobicContact CB-CG 4.23Å; P97-Y392 HydrophobicContact CB-CE1 3.55Å; P97-Y392 HydrophobicContact CG-CE1 3.7Å; P97-Y392 WeakPolarHBondContact CG-OH 3.2Å; P97-Y422 PolarHBondContact O-N 2.99Å
98	R	97.6	Very high	83.2	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.015	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-151.2	169.5	-173.9	68.8	171.2	-52.6	-87.4	9	112.9	Y50 Y54 N101 D103 G186 L188 H410 P420 I421	Y50-R98 VanDerWaalsContact OH-CD 3.3Å; Y50-R98 WeakPolarHBondContact OH-CD 3.27Å; Y50-R98 PolarHBondContact OH-NE 2.78Å; Y54-R98 VanDerWaalsContact CZ-NH1 3.27Å; R98-N101 PolarHBondContact NH1-O 2.7Å; R98-N101 PolarHBondContact NH2-O 3.45Å; R98-D103 IonicContact CZ-OD1 3.87Å; R98-D103 IonicContact CZ-OD2 2.72Å; R98-D103 IonicContact NH2-OD1 3.08Å; R98-D103 PolarHBondContact NH2-OD1 2.04Å; R98-D103 IonicContact NH2-OD2 2.8Å; R98-D103 PolarHBondContact NH2-OD2 3.18Å; R98-G186 PolarHBondContact N-O 3.5Å; R98-L188 PolarHBondContact O-N 2.98Å; R98-L188 VanDerWaalsContact O-N 3.09Å; R98-H410 PolarHBondContact NH2-CE1 3.37Å; R98-P420 CarbonylContact C-O 2.78Å; R98-P420 WeakPolarHBondContact CA-O 3.47Å; R98-P420 WeakPolarHBondContact CB-O 3.42Å; R98-I421 HydrophobicContact CB-CG1 4.49Å
99	C	98	Very high	80.9	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.041	28%	0.282	C	S	.	.			trans	-59.3	153	167.2	179	0	0	0	0	111.3	N101 H400 E401 H410 P420	C99-N101 VanDerWaalsContact C-N 3.34Å; C99-N101 PolarHBondContact SG-N 2.87Å; C99-H400 WeakPolarHBondContact CB-NE2 3.38Å; C99-E401 PolarHBondContact SG-OE1 3.5Å; C99-H410 WeakPolarHBondContact CB-NE2 3.39Å; C99-P420 PolarHBondContact N-O 2.93Å
100	G	95.9	Very high	78.6	Confident	7 Å²	7	58 Å²	58	7%	0.072	30%	0.295	C	S	.	.	S	Bend	trans	-78.3	-13.9	176.3	0	0	0	0	0	114.8	A189	G100-A189 WeakPolarHBondContact CA-O 2.97Å; G100-A189 PolarHBondContact N-O 2.96Å
101	N	94.4	Very high	76.2	Confident	20 Å²	20	64.5 Å²	64.5	11%	0.107	34%	0.337	C	S	.	.	S	Bend	trans	-73.3	152.9	-177.6	-78.7	-26.2	0	0	0	113.2	Y54 R98 C99 A191 H404 H410	Y54-N101 WeakPolarHBondContact CD1-O 3.37Å; R98-N101 PolarHBondContact NH1-O 2.7Å; R98-N101 PolarHBondContact NH2-O 3.45Å; C99-N101 VanDerWaalsContact C-N 3.34Å; C99-N101 PolarHBondContact SG-N 2.87Å; N101-A191 PolarHBondContact ND2-O 2.98Å; N101-A191 PolarHBondContact OD1-O 2.7Å; N101-H404 PolarHBondContact ND2-CD2 2.81Å; N101-H404 VanDerWaalsContact ND2-CG 3.28Å; N101-H404 PolarHBondContact ND2-NE2 3.13Å; N101-H410 PolarHBondContact O-CE1 3.23Å; N101-H410 VanDerWaalsContact O-CE1 3.23Å
102	P	92.1	Very high	74.4	Confident	40 Å²	40	73.4 Å²	73.4	26%	0.26	37%	0.37	S	S	.	.			trans	-66.1	152.6	173.9	-20.8	33.9	0	0	0	113.7	H410	P102-H410 PolarHBondContact O-ND1 2.86Å
103	D	90	Very high	73.4	Confident	15 Å²	15	76.6 Å²	76.6	8%	0.08	38%	0.383	C	S	.	.	S	Bend	trans	-88.6	-25.5	176.3	-68.6	-40.8	0	0	0	112.2	Y54 Y55 F77 R98 H410 P420	Y54-D103 PolarHBondContact O-N 2.85Å; Y55-D103 HydrophobicContact CE1-CB 3.99Å; Y55-D103 HydrophobicContact CE2-CB 4.05Å; Y55-D103 WeakPolarHBondContact CE2-OD2 3.14Å; Y55-D103 WeakPolarHBondContact OH-CB 3.46Å; Y55-D103 PolarHBondContact OH-OD2 2.01Å; Y55-D103 VanDerWaalsContact OH-OD2 3.1Å; F77-D103 HydrophobicContact CD2-CB 4.16Å; F77-D103 HydrophobicContact CE2-CB 4.05Å; F77-D103 HydrophobicContact CG-CB 4.46Å; F77-D103 HydrophobicContact CZ-CB 4.27Å; R98-D103 IonicContact CZ-OD1 3.87Å; R98-D103 IonicContact CZ-OD2 2.72Å; R98-D103 IonicContact NH2-OD1 3.08Å; R98-D103 PolarHBondContact NH2-OD1 2.04Å; R98-D103 IonicContact NH2-OD2 2.8Å; R98-D103 PolarHBondContact NH2-OD2 3.18Å; D103-H410 IonicContact OD1-CE1 3.19Å; D103-H410 IonicContact OD1-CG 3.49Å; D103-H410 IonicContact OD1-ND1 2.74Å; D103-H410 PolarHBondContact OD1-ND1 3.36Å; D103-P420 WeakPolarHBondContact OD1-CG 3.33Å
104	V	78.8	Confident	72.8	Confident	50 Å²	50	77.1 Å²	77.1	30%	0.303	39%	0.386	S	S	.	.	S	Bend	trans	-113	124.4	176	-58.3	0	0	0	0	109.1	Y54 Y55 N106	Y54-V104 PolarHBondContact O-N 3.41Å; Y55-V104 HydrophobicContact CD1-CG1 3.59Å; Y55-V104 HydrophobicContact CD1-CG2 4.25Å; Y55-V104 HydrophobicContact CE1-CG1 3.76Å; V104-N106 PolarHBondContact O-N 3.17Å
105	A	58.2	Low	72.7	Confident	63 Å²	63	80.4 Å²	80.4	52%	0.521	40%	0.4	S	S	.	.			trans	-58.1	121.1	-175.6	0	0	0	0	0	111.7
106	N	49.1	Very low	72.9	Confident	114 Å²	114	76 Å²	76	61%	0.61	38%	0.381	S	S	*	.			trans	-80.1	-0.1	155.5	-83.6	-24.2	0	0	0	111.7	V104 N108	V104-N106 PolarHBondContact O-N 3.17Å; N106-N108 PolarHBondContact O-N 2.78Å; N106-N108 VanDerWaalsContact O-N 3.16Å
107	Y	45.7	Very low	72.8	Confident	78 Å²	78	80.7 Å²	80.7	31%	0.306	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-77.8	9.4	-177.4	-62.7	-69.1	0	0	0	115.4	F109 F110 E409	Y107-F109 PolarHBondContact O-N 3.16Å; Y107-F110 HydrophobicContact CD1-CD2 4.1Å; Y107-F110 HydrophobicContact CD1-CE2 4.45Å; Y107-F110 PolarHBondContact O-N 3.15Å; Y107-E409 WeakPolarHBondContact CD2-OE1 3.38Å
108	N	36.9	Very low	72.7	Confident	167 Å²	167	83.4 Å²	83.4	89%	0.893	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-60.4	-1.7	160.7	-101.4	-7.3	0	0	0	113.3	N106	N106-N108 PolarHBondContact O-N 2.78Å; N106-N108 VanDerWaalsContact O-N 3.16Å
109	F	39	Very low	72.5	Confident	182 Å²	182	86.1 Å²	86.1	80%	0.798	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-81.2	-17.2	168.3	-93.1	-83.1	0	0	0	115.1	Y107	Y107-F109 PolarHBondContact O-N 3.16Å
110	F	38.9	Very low	72.5	Confident	138 Å²	138	91.7 Å²	91.7	61%	0.605	45%	0.452	S	S	*	.	S	Bend	trans	-116.4	119.5	177.4	-62.5	-75.6	0	0	0	110.7	Y107 R112	Y107-F110 HydrophobicContact CD1-CD2 4.1Å; Y107-F110 HydrophobicContact CD1-CE2 4.45Å; Y107-F110 PolarHBondContact O-N 3.15Å; F110-R112 PolarHBondContact O-N 3.4Å
111	P	39.7	Very low	72.6	Confident	137 Å²	137	91.4 Å²	91.4	89%	0.89	45%	0.449	S	S	*	.	S	Bend	trans	-63.8	3.7	178.9	-21.2	31.1	0	0	0	115.6
112	R	54.2	Low	72.8	Confident	199 Å²	199	92.2 Å²	92.2	75%	0.751	46%	0.455	S	S	*	.	S	Bend	trans	-130.3	131.6	-172.7	-65.1	-175.1	-177.7	179.4	1	109.4	F110 P114	F110-R112 PolarHBondContact O-N 3.4Å; R112-P114 WeakPolarHBondContact O-CD 3.4Å
113	K	68.2	Low	73.1	Confident	150 Å²	150	91.3 Å²	91.3	65%	0.652	45%	0.446	S	S	*	.			trans	-53.4	118.4	164.8	-66.7	-175.2	174.2	-169.3	0	107.8	K115 L441	K113-K115 PolarHBondContact O-N 2.94Å; K113-L441 HydrophobicContact CB-CD2 4.21Å; K113-L441 HydrophobicContact CD-CD2 4.34Å
114	P	80.5	Confident	73.5	Confident	26 Å²	26	91.8 Å²	91.8	17%	0.169	45%	0.447	C	S	.	.			trans	-57.5	128.1	179.1	-24.2	34.5	0	0	0	110.3	R112 A193 P194 G407	R112-P114 WeakPolarHBondContact O-CD 3.4Å; P114-A193 HydrophobicContact CB-CB 3.76Å; P114-A193 HydrophobicContact CG-CB 4Å; P114-P194 HydrophobicContact CB-CG 4.42Å; P114-G407 WeakPolarHBondContact O-CA 3.38Å
115	K	90.4	Very high	74.4	Confident	77 Å²	77	89.7 Å²	89.7	34%	0.335	43%	0.434	S	S	.	.			trans	-155.4	143.2	-179.2	-175.3	-161.9	163.8	170.3	0	108.8	K113 L441 Y442	K113-K115 PolarHBondContact O-N 2.94Å; K115-L441 WeakPolarHBondContact CD-O 3.13Å; K115-L441 WeakPolarHBondContact CE-O 3.35Å; K115-L441 HydrophobicContact CG-CB 4.4Å; K115-L441 PolarHBondContact NZ-O 3.25Å; K115-Y442 HydrophobicContact CD-CD1 4.43Å; K115-Y442 HydrophobicContact CD-CE1 4.2Å; K115-Y442 VanDerWaalsContact CE-CD1 3.5Å; K115-Y442 HydrophobicContact CG-CD1 4.14Å; K115-Y442 HydrophobicContact CG-CE1 3.47Å; K115-Y442 VanDerWaalsContact CG-CE1 3.47Å; K115-Y442 HydrophobicContact CG-CE2 4.26Å
116	W	94.1	Very high	76.2	Confident	24 Å²	24	89.8 Å²	89.8	9%	0.091	43%	0.425	C	S	.	.			trans	-67.1	131.9	166.7	-66.2	112.8	0	0	0	111.8	K118 I121 D165 P194 G195 G199 A405 Y442	W116-K118 PolarHBondContact O-N 3.19Å; W116-I121 HydrophobicContact CB-CD1 3.64Å; W116-I121 HydrophobicContact CD2-CD1 4Å; W116-I121 HydrophobicContact CG-CD1 3.5Å; W116-I121 HydrophobicContact CG-CG1 4.42Å; W116-D165 HydrophobicContact CH2-CB 4.09Å; W116-D165 HydrophobicContact CZ2-CB 4.23Å; W116-P194 HydrophobicContact CD2-CB 3.77Å; W116-P194 HydrophobicContact CD2-CG 4.4Å; W116-P194 HydrophobicContact CE3-CB 4.2Å; W116-P194 HydrophobicContact CG-CB 4.09Å; W116-P194 HydrophobicContact CG-CG 4.33Å; W116-P194 HydrophobicContact CZ2-CB 4.1Å; W116-G195 WeakPolarHBondContact CH2-O 3.43Å; W116-G199 WeakPolarHBondContact CH2-O 3.33Å; W116-A405 PolarHBondContact NE1-O 3.04Å; W116-Y442 HydrophobicContact CB-CE1 4.09Å; W116-Y442 PolarHBondContact N-OH 3.43Å
117	E	91.9	Very high	78.3	Confident	168 Å²	168	84.8 Å²	84.8	79%	0.785	40%	0.4	S	S	*	.	S	Bend	trans	-77.6	5.9	175.6	-61	-64.9	169.1	0	0	113
118	K	92.8	Very high	80.8	Confident	86 Å²	86	81.8 Å²	81.8	37%	0.374	39%	0.389	S	S	.	.			trans	-139.5	155.5	-177.9	58.2	175.8	178.6	173.8	0	110.2	W116 H120 I121 D165	W116-K118 PolarHBondContact O-N 3.19Å; K118-H120 WeakPolarHBondContact CD-O 3.47Å; K118-I121 HydrophobicContact CD-CD1 4.4Å; K118-I121 HydrophobicContact CG-CD1 3.79Å; K118-I121 WeakPolarHBondContact O-CD1 3.37Å; K118-D165 VanDerWaalsContact CE-CG 3.47Å; K118-D165 WeakPolarHBondContact CE-OD1 2.99Å; K118-D165 WeakPolarHBondContact CE-OD2 3.4Å; K118-D165 IonicContact NZ-OD1 2.61Å; K118-D165 PolarHBondContact NZ-OD1 2.72Å; K118-D165 IonicContact NZ-OD2 3.86Å; K118-D165 PolarHBondContact NZ-OD2 3.48Å
119	N	93.7	Very high	83.5	Confident	61 Å²	61	73.9 Å²	73.9	33%	0.326	35%	0.346	S	S	.	.	S	Bend	trans	-99.5	-12.5	179.3	-66.2	-9.7	0	0	0	113.6	L154 R155	N119-L154 CarbonylContact O-C 3.5Å; N119-L154 WeakPolarHBondContact O-CA 3.09Å; N119-R155 PolarHBondContact O-N 2.83Å
120	H	97	Very high	86.1	Confident	124 Å²	124	66.1 Å²	66.1	57%	0.574	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	103.8	175.8	-67.2	79.1	0	0	0	108	K118 R155	K118-H120 WeakPolarHBondContact CD-O 3.47Å; H120-R155 WeakPolarHBondContact CA-O 3.02Å
121	I	98.3	Very high	88.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.6	-176.5	-50.7	-57.9	0	0	0	108.2	W116 K118 L154 R155 F156 N157 D165 I166	W116-I121 HydrophobicContact CB-CD1 3.64Å; W116-I121 HydrophobicContact CD2-CD1 4Å; W116-I121 HydrophobicContact CG-CD1 3.5Å; W116-I121 HydrophobicContact CG-CG1 4.42Å; K118-I121 HydrophobicContact CD-CD1 4.4Å; K118-I121 HydrophobicContact CG-CD1 3.79Å; K118-I121 WeakPolarHBondContact O-CD1 3.37Å; I121-L154 HydrophobicContact CG1-CD2 4.1Å; I121-R155 PolarHBondContact N-O 3.39Å; I121-F156 HydrophobicContact CB-CD1 3.78Å; I121-F156 HydrophobicContact CB-CE1 3.89Å; I121-F156 HydrophobicContact CG1-CD1 4.46Å; I121-F156 HydrophobicContact CG1-CE1 4.12Å; I121-F156 HydrophobicContact CG2-CD1 4.15Å; I121-F156 HydrophobicContact CG2-CE1 4.19Å; I121-F156 CarbonylContact O-C 3.6Å; I121-F156 VanDerWaalsContact O-CA 3.3Å; I121-F156 WeakPolarHBondContact O-CA 3.49Å; I121-N157 PolarHBondContact O-N 3.12Å; I121-D165 HydrophobicContact CG2-CB 3.7Å; I121-I166 HydrophobicContact CG2-CD1 3.79Å; I121-I166 HydrophobicContact CG2-CG1 4.18Å
122	T	98.6	Very high	91.4	Very high	38 Å²	38	53.2 Å²	53.2	23%	0.233	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.4	175.5	55.2	0	0	0	0	110.1	N157 I159 D165 I166	T122-N157 VanDerWaalsContact CA-O 3.25Å; T122-N157 WeakPolarHBondContact CA-O 3.3Å; T122-I159 HydrophobicContact CG2-CG2 4.04Å; T122-D165 PolarHBondContact N-OD2 3.44Å; T122-D165 WeakPolarHBondContact O-CA 3.34Å; T122-D165 VanDerWaalsContact O-CB 3.3Å; T122-D165 WeakPolarHBondContact O-CB 3.28Å; T122-D165 PolarHBondContact O-N 3.25Å; T122-D165 PolarHBondContact OG1-N 3.04Å; T122-D165 VanDerWaalsContact OG1-N 3.16Å; T122-D165 PolarHBondContact OG1-OD2 3.05Å; T122-I166 PolarHBondContact O-N 3.17Å; T122-I166 VanDerWaalsContact O-N 3.1Å
123	Y	98.8	Very high	93.5	Very high	20 Å²	20	43.9 Å²	43.9	8%	0.078	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.4	172.1	72.2	-88.5	0	0	0	110.7	I125 F145 F156 N157 R158 I159 I166 I168	Y123-I125 HydrophobicContact CE2-CD1 4.5Å; Y123-I125 HydrophobicContact CE2-CG1 4.47Å; Y123-F145 AromaticContact CD1-CD2 3.87Å; Y123-F145 HydrophobicContact CD1-CD2 3.87Å; Y123-F145 AromaticContact CD1-CE2 3.51Å; Y123-F145 HydrophobicContact CD1-CE2 3.51Å; Y123-F145 HydrophobicContact CD1-CZ 4.07Å; Y123-F145 HydrophobicContact CD2-CD2 4.43Å; Y123-F145 AromaticContact CD2-CE2 3.65Å; Y123-F145 HydrophobicContact CD2-CE2 3.65Å; Y123-F145 HydrophobicContact CD2-CZ 4.41Å; Y123-F145 AromaticContact CE1-CD2 3.76Å; Y123-F145 HydrophobicContact CE1-CD2 3.76Å; Y123-F145 AromaticContact CE1-CE2 3.83Å; Y123-F145 HydrophobicContact CE1-CE2 3.83Å; Y123-F145 HydrophobicContact CE2-CD2 4.35Å; Y123-F145 AromaticContact CE2-CE2 3.96Å; Y123-F145 HydrophobicContact CE2-CE2 3.96Å; Y123-F145 HydrophobicContact CG-CD2 4.19Å; Y123-F145 AromaticContact CG-CE2 3.4Å; Y123-F145 HydrophobicContact CG-CE2 3.4Å; Y123-F145 AromaticContact CG-CZ 3.86Å; Y123-F145 HydrophobicContact CG-CZ 3.86Å; Y123-F156 HydrophobicContact CD1-CB 4.12Å; Y123-F156 HydrophobicContact CE1-CB 4.13Å; Y123-N157 PolarHBondContact N-O 3.05Å; Y123-R158 HydrophobicContact CD2-CB 4.42Å; Y123-R158 HydrophobicContact CD2-CG 4.28Å; Y123-R158 HydrophobicContact CE1-CB 3.98Å; Y123-R158 HydrophobicContact CE2-CB 3.81Å; Y123-R158 HydrophobicContact CE2-CG 3.82Å; Y123-R158 CarbonylContact O-C 2.96Å; Y123-R158 VanDerWaalsContact O-CA 3.29Å; Y123-R158 WeakPolarHBondContact O-CA 3.04Å; Y123-I159 PolarHBondContact O-N 3.41Å; Y123-I166 CarbonylContact C-O 3.6Å; Y123-I166 VanDerWaalsContact CA-O 3.23Å; Y123-I166 WeakPolarHBondContact CA-O 3.47Å; Y123-I168 HydrophobicContact CD2-CD1 3.78Å; Y123-I168 HydrophobicContact CG-CD1 4.47Å
124	R	98.4	Very high	94.9	Very high	26 Å²	26	37.4 Å²	37.4	10%	0.098	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.2	176.6	176.2	176.1	175	-179.4	2.2	109.9	I159 G162 A164 I166 M167 I168 T308	R124-I159 HydrophobicContact CB-CG1 4.14Å; R124-G162 WeakPolarHBondContact CD-O 3.4Å; R124-G162 PolarHBondContact NH1-O 2.94Å; R124-A164 HydrophobicContact CB-CB 3.72Å; R124-I166 PolarHBondContact N-O 3Å; R124-M167 HydrophobicContact CB-SD 3.9Å; R124-I168 PolarHBondContact O-N 2.8Å; R124-T308 PolarHBondContact NH2-O 2.88Å
125	I	98.4	Very high	95.7	Very high	5 Å²	5	42 Å²	42	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.5	172.5	-56.3	165.9	0	0	0	107.3	Y123 G127 Y128 D138 F141 I168	Y123-I125 HydrophobicContact CE2-CD1 4.5Å; Y123-I125 HydrophobicContact CE2-CG1 4.47Å; I125-G127 WeakPolarHBondContact CG2-O 3.47Å; I125-Y128 HydrophobicContact CB-CE2 4.45Å; I125-Y128 HydrophobicContact CG2-CD1 4.42Å; I125-Y128 HydrophobicContact CG2-CD2 4.1Å; I125-Y128 HydrophobicContact CG2-CE1 3.98Å; I125-Y128 HydrophobicContact CG2-CE2 3.63Å; I125-Y128 HydrophobicContact CG2-CG 4.47Å; I125-D138 WeakPolarHBondContact CD1-OD1 3.36Å; I125-F141 HydrophobicContact CD1-CD2 3.68Å; I125-F141 HydrophobicContact CD1-CE2 4.33Å; I125-F141 HydrophobicContact CG1-CD2 3.98Å; I125-F141 HydrophobicContact CG1-CE2 4.34Å; I125-F141 HydrophobicContact CG2-CE2 4.43Å; I125-I168 HydrophobicContact CG1-CB 4.45Å; I125-I168 HydrophobicContact CG1-CD1 4.2Å
126	I	95.5	Very high	96.1	Very high	65 Å²	65	38.5 Å²	38.5	33%	0.333	19%	0.187	S	C	.	.			trans	-94.7	-37.2	178.7	-54.7	-179	0	0	0	110.6	M167 I168 G310	I126-M167 HydrophobicContact CD1-CB 3.7Å; I126-M167 HydrophobicContact CD1-CE 3.45Å; I126-M167 VanDerWaalsContact CD1-CE 3.45Å; I126-M167 HydrophobicContact CD1-CG 4.14Å; I126-M167 HydrophobicContact CD1-SD 4.27Å; I126-M167 HydrophobicContact CG1-CB 4.38Å; I126-M167 HydrophobicContact CG1-CE 3.9Å; I126-I168 PolarHBondContact N-O 2.57Å; I126-G310 WeakPolarHBondContact O-CA 3.48Å
127	G	93.9	Very high	96.3	Very high	9 Å²	9	37.4 Å²	37.4	9%	0.093	18%	0.183	C	C	.	.			trans	-131.6	159	-177.3	0	0	0	0	0	112.5	I125 N169 F170	I125-G127 WeakPolarHBondContact CG2-O 3.47Å; G127-N169 VanDerWaalsContact CA-OD1 3.29Å; G127-N169 WeakPolarHBondContact CA-OD1 3.39Å; G127-N169 PolarHBondContact N-OD1 2.9Å; G127-F170 WeakPolarHBondContact O-CD2 3.43Å
128	Y	96.6	Very high	96.6	Very high	16 Å²	16	30.9 Å²	30.9	6%	0.063	15%	0.153	C	C	.	.			trans	-132.7	145.9	-179.4	-73.4	-92.7	0	0	0	110.1	I125 P134 V137 D138 R158 D309 R312	I125-Y128 HydrophobicContact CB-CE2 4.45Å; I125-Y128 HydrophobicContact CG2-CD1 4.42Å; I125-Y128 HydrophobicContact CG2-CD2 4.1Å; I125-Y128 HydrophobicContact CG2-CE1 3.98Å; I125-Y128 HydrophobicContact CG2-CE2 3.63Å; I125-Y128 HydrophobicContact CG2-CG 4.47Å; Y128-P134 HydrophobicContact CD1-CB 3.99Å; Y128-P134 HydrophobicContact CD1-CG 4.49Å; Y128-P134 HydrophobicContact CE1-CB 3.78Å; Y128-V137 HydrophobicContact CD1-CB 3.76Å; Y128-V137 HydrophobicContact CD1-CG1 3.57Å; Y128-V137 HydrophobicContact CD1-CG2 4.13Å; Y128-V137 HydrophobicContact CE1-CB 3.93Å; Y128-V137 HydrophobicContact CE1-CG1 3.74Å; Y128-D138 VanDerWaalsContact CE1-OD1 3.26Å; Y128-D138 WeakPolarHBondContact CE1-OD1 3.33Å; Y128-D138 PolarHBondContact OH-OD1 3.03Å; Y128-R158 PolarHBondContact OH-NH2 3.01Å; Y128-D309 WeakPolarHBondContact CE2-O 3.2Å; Y128-R312 PolarHBondContact O-NH1 3.12Å
129	T	94.9	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.			trans	-72.6	151.2	169.4	166.6	0	0	0	0	111.6	D131 L132 V137 F170 W210 R312	T129-D131 VanDerWaalsContact C-N 3.32Å; T129-D131 WeakPolarHBondContact OG1-CB 3.39Å; T129-D131 VanDerWaalsContact OG1-CG 3.23Å; T129-D131 PolarHBondContact OG1-N 2.86Å; T129-D131 PolarHBondContact OG1-OD2 2.97Å; T129-L132 HydrophobicContact CG2-CB 4.16Å; T129-L132 HydrophobicContact CG2-CD1 4.41Å; T129-L132 HydrophobicContact CG2-CG 4.39Å; T129-V137 HydrophobicContact CG2-CG2 3.91Å; T129-F170 HydrophobicContact CG2-CE1 3.9Å; T129-F170 HydrophobicContact CG2-CE2 4.48Å; T129-F170 HydrophobicContact CG2-CZ 3.87Å; T129-W210 HydrophobicContact CG2-CB 4.04Å; T129-W210 HydrophobicContact CG2-CG 4.32Å; T129-R312 PolarHBondContact O-NH1 3.47Å
130	P	93	Very high	97.1	Very high	19 Å²	19	27.6 Å²	27.6	12%	0.123	14%	0.14	C	C	.	.	S	Bend	trans	-74.9	-14.9	167	30.3	-34.2	0	0	0	115.7	L132 R312 T332	P130-L132 VanDerWaalsContact C-N 3.31Å; P130-L132 PolarHBondContact O-N 3.07Å; P130-R312 VanDerWaalsContact CA-CZ 3.42Å; P130-R312 VanDerWaalsContact CA-NH2 3.28Å; P130-T332 PolarHBondContact O-N 2.83Å
131	D	94.3	Very high	97.2	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-73.6	-23.8	-174.3	-54.6	-48.7	0	0	0	113.9	T129 E208 L209 W210 M334	T129-D131 VanDerWaalsContact C-N 3.32Å; T129-D131 WeakPolarHBondContact OG1-CB 3.39Å; T129-D131 VanDerWaalsContact OG1-CG 3.23Å; T129-D131 PolarHBondContact OG1-N 2.86Å; T129-D131 PolarHBondContact OG1-OD2 2.97Å; D131-E208 VanDerWaalsContact OD2-O 3.13Å; D131-L209 HydrophobicContact CB-CD1 4.37Å; D131-W210 HydrophobicContact CB-CB 4.16Å; D131-W210 WeakPolarHBondContact CB-O 3.27Å; D131-W210 PolarHBondContact OD2-N 3.45Å; D131-M334 WeakPolarHBondContact OD1-CE 3.2Å
132	L	96.6	Very high	97.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-132.1	143.3	-172.3	-62.4	174.9	0	0	0	109.7	T129 P130 T136 V137 W210 V217 L394	T129-L132 HydrophobicContact CG2-CB 4.16Å; T129-L132 HydrophobicContact CG2-CD1 4.41Å; T129-L132 HydrophobicContact CG2-CG 4.39Å; P130-L132 VanDerWaalsContact C-N 3.31Å; P130-L132 PolarHBondContact O-N 3.07Å; L132-T136 HydrophobicContact CB-CG2 4.47Å; L132-T136 HydrophobicContact CD1-CG2 4.43Å; L132-T136 HydrophobicContact CD2-CG2 4.2Å; L132-V137 HydrophobicContact CB-CG2 3.66Å; L132-V137 HydrophobicContact CD1-CG2 4.26Å; L132-W210 HydrophobicContact CD1-CB 4.18Å; L132-V217 HydrophobicContact CD2-CB 3.69Å; L132-V217 HydrophobicContact CD2-CG1 4.14Å; L132-V217 HydrophobicContact CD2-CG2 4.37Å; L132-L394 HydrophobicContact CD1-CB 4.17Å; L132-L394 HydrophobicContact CD1-CD2 3.92Å
133	D	97.3	Very high	97.2	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	13%	0.133	C	C	.	.			trans	-66.7	150.2	171.1	79.9	-78.7	0	0	0	111.5	E135 T136 V137 R219 E331	D133-E135 VanDerWaalsContact C-N 3.27Å; D133-E135 PolarHBondContact O-N 3.01Å; D133-E135 VanDerWaalsContact O-N 3.15Å; D133-E135 WeakPolarHBondContact OD2-CB 3.42Å; D133-E135 PolarHBondContact OD2-N 3.01Å; D133-T136 WeakPolarHBondContact O-CB 3.32Å; D133-T136 PolarHBondContact O-N 3.16Å; D133-T136 WeakPolarHBondContact OD1-CB 3.31Å; D133-T136 PolarHBondContact OD1-OG1 3.06Å; D133-V137 PolarHBondContact O-N 3.5Å; D133-V137 VanDerWaalsContact O-N 3.14Å; D133-R219 HydrophobicContact CB-CB 4.27Å; D133-R219 VanDerWaalsContact CG-CD 3.45Å; D133-R219 VanDerWaalsContact OD1-CD 3.25Å; D133-R219 WeakPolarHBondContact OD1-CD 3.45Å; D133-R219 WeakPolarHBondContact OD2-CD 3.44Å; D133-R219 IonicContact OD2-CZ 3.16Å; D133-R219 IonicContact OD2-NH1 2.68Å; D133-R219 PolarHBondContact OD2-NH1 2.92Å; D133-E331 HydrophobicContact CB-CB 4.31Å
134	P	97.3	Very high	97.2	Very high	14 Å²	14	24.9 Å²	24.9	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-31.5	-172.2	-28.6	37.7	0	0	0	114.8	Y128 T136 V137 D138 Y311 P330	Y128-P134 HydrophobicContact CD1-CB 3.99Å; Y128-P134 HydrophobicContact CD1-CG 4.49Å; Y128-P134 HydrophobicContact CE1-CB 3.78Å; P134-T136 VanDerWaalsContact C-N 3.33Å; P134-V137 PolarHBondContact O-N 3.09Å; P134-D138 WeakPolarHBondContact O-CB 3.26Å; P134-D138 PolarHBondContact O-N 2.84Å; P134-Y311 HydrophobicContact CB-CD1 4.47Å; P134-Y311 HydrophobicContact CB-CE1 3.6Å; P134-Y311 HydrophobicContact CG-CD1 4.02Å; P134-Y311 HydrophobicContact CG-CE1 3.57Å; P134-P330 HydrophobicContact CG-CB 4.22Å
135	E	97.7	Very high	97.2	Very high	123 Å²	123	23.9 Å²	23.9	58%	0.575	13%	0.125	S	C	*	.	H	α-helix	trans	-67.5	-36.5	176.9	-62.7	176	-154.8	0	0	111.2	D133 D139 R219	D133-E135 VanDerWaalsContact C-N 3.27Å; D133-E135 PolarHBondContact O-N 3.01Å; D133-E135 VanDerWaalsContact O-N 3.15Å; D133-E135 WeakPolarHBondContact OD2-CB 3.42Å; D133-E135 PolarHBondContact OD2-N 3.01Å; E135-D139 WeakPolarHBondContact O-CB 3.49Å; E135-D139 PolarHBondContact O-N 3.19Å; E135-R219 IonicContact OE1-NH1 3.63Å; E135-R219 IonicContact OE2-CZ 2.97Å; E135-R219 IonicContact OE2-NH1 2.71Å; E135-R219 PolarHBondContact OE2-NH1 3.23Å; E135-R219 IonicContact OE2-NH2 2.84Å; E135-R219 PolarHBondContact OE2-NH2 3.31Å
136	T	98.5	Very high	97.2	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-67.2	-41	174.9	-61.9	0	0	0	0	111.7	L132 D133 P134 A140 L212 Y229	L132-T136 HydrophobicContact CB-CG2 4.47Å; L132-T136 HydrophobicContact CD1-CG2 4.43Å; L132-T136 HydrophobicContact CD2-CG2 4.2Å; D133-T136 WeakPolarHBondContact O-CB 3.32Å; D133-T136 PolarHBondContact O-N 3.16Å; D133-T136 WeakPolarHBondContact OD1-CB 3.31Å; D133-T136 PolarHBondContact OD1-OG1 3.06Å; P134-T136 VanDerWaalsContact C-N 3.33Å; T136-A140 VanDerWaalsContact O-CB 3.26Å; T136-A140 WeakPolarHBondContact O-CB 3.28Å; T136-A140 PolarHBondContact O-N 3.38Å; T136-L212 HydrophobicContact CG2-CD1 4.43Å; T136-L212 HydrophobicContact CG2-CD2 4.09Å; T136-L212 HydrophobicContact CG2-CG 4.48Å; T136-Y229 PolarHBondContact OG1-OH 2.81Å
137	V	98.6	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-47.9	175	173.2	0	0	0	0	110.7	Y128 T129 L132 D133 P134 D139 A140 F141 F170 L394	Y128-V137 HydrophobicContact CD1-CB 3.76Å; Y128-V137 HydrophobicContact CD1-CG1 3.57Å; Y128-V137 HydrophobicContact CD1-CG2 4.13Å; Y128-V137 HydrophobicContact CE1-CB 3.93Å; Y128-V137 HydrophobicContact CE1-CG1 3.74Å; T129-V137 HydrophobicContact CG2-CG2 3.91Å; L132-V137 HydrophobicContact CB-CG2 3.66Å; L132-V137 HydrophobicContact CD1-CG2 4.26Å; D133-V137 PolarHBondContact O-N 3.5Å; D133-V137 VanDerWaalsContact O-N 3.14Å; P134-V137 PolarHBondContact O-N 3.09Å; V137-D139 PolarHBondContact O-N 3.05Å; V137-A140 PolarHBondContact O-N 2.85Å; V137-F141 HydrophobicContact CG1-CD2 3.72Å; V137-F141 HydrophobicContact CG1-CE2 3.28Å; V137-F141 HydrophobicContact CG1-CZ 4.05Å; V137-F141 WeakPolarHBondContact O-CD2 3.5Å; V137-F141 PolarHBondContact O-N 2Å; V137-F170 HydrophobicContact CG1-CE2 4.37Å; V137-L394 HydrophobicContact CB-CD2 4.28Å; V137-L394 HydrophobicContact CG1-CD2 4.02Å; V137-L394 HydrophobicContact CG2-CD2 4.07Å
138	D	98.6	Very high	97.5	Very high	32 Å²	32	25.7 Å²	25.7	17%	0.171	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-45.9	178.2	-71.2	-13.5	0	0	0	111.7	I125 Y128 P134 A142 R158	I125-D138 WeakPolarHBondContact CD1-OD1 3.36Å; Y128-D138 VanDerWaalsContact CE1-OD1 3.26Å; Y128-D138 WeakPolarHBondContact CE1-OD1 3.33Å; Y128-D138 PolarHBondContact OH-OD1 3.03Å; P134-D138 WeakPolarHBondContact O-CB 3.26Å; P134-D138 PolarHBondContact O-N 2.84Å; D138-A142 WeakPolarHBondContact O-CB 2.97Å; D138-A142 PolarHBondContact O-N 2.85Å; D138-R158 IonicContact OD1-CZ 3.36Å; D138-R158 IonicContact OD1-NH1 3.77Å; D138-R158 PolarHBondContact OD1-NH1 3.33Å; D138-R158 VanDerWaalsContact OD1-NH1 3.07Å; D138-R158 IonicContact OD1-NH2 3.71Å; D138-R158 IonicContact OD2-CZ 2.58Å; D138-R158 IonicContact OD2-NH1 2.86Å; D138-R158 PolarHBondContact OD2-NH1 2.88Å; D138-R158 IonicContact OD2-NH2 3.62Å
139	D	98.6	Very high	97.4	Very high	78 Å²	78	26.2 Å²	26.2	42%	0.417	14%	0.137	S	C	.	.	H	α-helix	trans	-64.1	-44.3	175.9	174.6	77.1	0	0	0	112	E135 V137 F141 A142 R143	E135-D139 WeakPolarHBondContact O-CB 3.49Å; E135-D139 PolarHBondContact O-N 3.19Å; V137-D139 PolarHBondContact O-N 3.05Å; D139-F141 VanDerWaalsContact C-N 3.33Å; D139-F141 PolarHBondContact O-N 3.34Å; D139-A142 PolarHBondContact O-N 3.21Å; D139-R143 WeakPolarHBondContact O-CB 3.37Å; D139-R143 WeakPolarHBondContact O-CG 3.42Å; D139-R143 PolarHBondContact O-N 2.65Å; D139-R143 IonicContact OD1-NE 2.83Å; D139-R143 IonicContact OD2-CZ 3.41Å; D139-R143 IonicContact OD2-NE 3.26Å; D139-R143 PolarHBondContact OD2-NE 2.76Å; D139-R143 IonicContact OD2-NH2 3.6Å; D139-R143 PolarHBondContact OD2-NH2 2.78Å
140	A	98.7	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-45.4	179.1	0	0	0	0	0	111.4	T136 V137 A144 L394 F395	T136-A140 VanDerWaalsContact O-CB 3.26Å; T136-A140 WeakPolarHBondContact O-CB 3.28Å; T136-A140 PolarHBondContact O-N 3.38Å; V137-A140 PolarHBondContact O-N 2.85Å; A140-A144 VanDerWaalsContact O-CB 3.29Å; A140-A144 WeakPolarHBondContact O-CB 3.27Å; A140-A144 PolarHBondContact O-N 3.46Å; A140-L394 HydrophobicContact CB-CB 4.41Å; A140-L394 HydrophobicContact CB-CD2 4.15Å; A140-L394 HydrophobicContact CB-CG 4.23Å; A140-F395 HydrophobicContact CB-CB 4.41Å
141	F	98.8	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-42	175.6	-66	-39.9	0	0	0	112.6	I125 V137 D139 R143 A144 F145 I168 F170 F204 L394 A398 F402	I125-F141 HydrophobicContact CD1-CD2 3.68Å; I125-F141 HydrophobicContact CD1-CE2 4.33Å; I125-F141 HydrophobicContact CG1-CD2 3.98Å; I125-F141 HydrophobicContact CG1-CE2 4.34Å; I125-F141 HydrophobicContact CG2-CE2 4.43Å; V137-F141 HydrophobicContact CG1-CD2 3.72Å; V137-F141 HydrophobicContact CG1-CE2 3.28Å; V137-F141 HydrophobicContact CG1-CZ 4.05Å; V137-F141 WeakPolarHBondContact O-CD2 3.5Å; V137-F141 PolarHBondContact O-N 2Å; D139-F141 VanDerWaalsContact C-N 3.33Å; D139-F141 PolarHBondContact O-N 3.34Å; F141-R143 PolarHBondContact O-N 3.28Å; F141-A144 WeakPolarHBondContact O-CB 2.94Å; F141-A144 PolarHBondContact O-N 2.86Å; F141-F145 VanDerWaalsContact O-CD2 3.28Å; F141-F145 WeakPolarHBondContact O-CD2 3.45Å; F141-F145 PolarHBondContact O-N 2.84Å; F141-I168 HydrophobicContact CD2-CD1 4.34Å; F141-I168 HydrophobicContact CD2-CG2 4.24Å; F141-I168 HydrophobicContact CE1-CG2 4.04Å; F141-I168 HydrophobicContact CE2-CG2 3.58Å; F141-I168 HydrophobicContact CG-CD1 4.3Å; F141-I168 HydrophobicContact CZ-CG2 3.47Å; F141-I168 VanDerWaalsContact CZ-CG2 3.47Å; F141-F170 HydrophobicContact CE2-CE2 4.13Å; F141-F170 HydrophobicContact CE2-CZ 4.49Å; F141-F170 AromaticContact CZ-CE2 3.77Å; F141-F170 HydrophobicContact CZ-CE2 3.77Å; F141-F170 AromaticContact CZ-CZ 3.82Å; F141-F170 HydrophobicContact CZ-CZ 3.82Å; F141-F204 HydrophobicContact CE1-CD2 4.43Å; F141-F204 HydrophobicContact CE1-CE1 4.2Å; F141-F204 AromaticContact CE1-CE2 3.81Å; F141-F204 HydrophobicContact CE1-CE2 3.81Å; F141-F204 AromaticContact CE1-CZ 3.67Å; F141-F204 HydrophobicContact CE1-CZ 3.67Å; F141-F204 HydrophobicContact CZ-CD2 4.36Å; F141-F204 HydrophobicContact CZ-CE2 4.09Å; F141-F204 HydrophobicContact CZ-CZ 4.38Å; F141-L394 HydrophobicContact CE1-CD1 3.68Å; F141-L394 HydrophobicContact CE1-CD2 4.16Å; F141-L394 HydrophobicContact CE1-CG 3.95Å; F141-L394 HydrophobicContact CZ-CD1 3.96Å; F141-L394 HydrophobicContact CZ-CD2 4.07Å; F141-L394 HydrophobicContact CZ-CG 4.3Å; F141-A398 HydrophobicContact CD1-CB 3.54Å; F141-A398 HydrophobicContact CE1-CB 3.73Å; F141-F402 HydrophobicContact CB-CE2 4.23Å; F141-F402 HydrophobicContact CB-CZ 4.18Å; F141-F402 HydrophobicContact CD1-CE2 4.15Å; F141-F402 AromaticContact CD1-CZ 3.67Å; F141-F402 HydrophobicContact CD1-CZ 3.67Å; F141-F402 HydrophobicContact CE1-CZ 4.38Å; F141-F402 HydrophobicContact CG-CZ 4.17Å
142	A	98.7	Very high	97.3	Very high	42 Å²	42	31.4 Å²	31.4	35%	0.347	16%	0.164	S	C	.	.	H	α-helix	trans	-60.8	-44.8	177.1	0	0	0	0	0	111.9	D138 D139 A144 F145 Q146	D138-A142 WeakPolarHBondContact O-CB 2.97Å; D138-A142 PolarHBondContact O-N 2.85Å; D139-A142 PolarHBondContact O-N 3.21Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A142-F145 PolarHBondContact O-N 2.87Å; A142-Q146 PolarHBondContact O-N 3.44Å
143	R	98.6	Very high	97.3	Very high	83 Å²	83	34 Å²	34	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-64.2	-38.7	174.2	-72.5	-168.3	-69	119.4	-0.8	112	D139 F141 Q146 V147 F395	D139-R143 WeakPolarHBondContact O-CB 3.37Å; D139-R143 WeakPolarHBondContact O-CG 3.42Å; D139-R143 PolarHBondContact O-N 2.65Å; D139-R143 IonicContact OD1-NE 2.83Å; D139-R143 IonicContact OD2-CZ 3.41Å; D139-R143 IonicContact OD2-NE 3.26Å; D139-R143 PolarHBondContact OD2-NE 2.76Å; D139-R143 IonicContact OD2-NH2 3.6Å; D139-R143 PolarHBondContact OD2-NH2 2.78Å; F141-R143 PolarHBondContact O-N 3.28Å; R143-Q146 VanDerWaalsContact O-CB 3.31Å; R143-Q146 WeakPolarHBondContact O-CB 3.26Å; R143-Q146 PolarHBondContact O-N 3.47Å; R143-Q146 VanDerWaalsContact O-N 3.12Å; R143-V147 PolarHBondContact O-N 3.35Å; R143-F395 HydrophobicContact CB-CD2 3.76Å; R143-F395 HydrophobicContact CB-CE2 3.73Å
144	A	98.8	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-41.4	176.4	0	0	0	0	0	112.3	A140 F141 A142 Q146 V147 F395 A398 A399 F402	A140-A144 VanDerWaalsContact O-CB 3.29Å; A140-A144 WeakPolarHBondContact O-CB 3.27Å; A140-A144 PolarHBondContact O-N 3.46Å; F141-A144 WeakPolarHBondContact O-CB 2.94Å; F141-A144 PolarHBondContact O-N 2.86Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A144-Q146 VanDerWaalsContact C-N 3.3Å; A144-Q146 PolarHBondContact O-N 3.35Å; A144-V147 WeakPolarHBondContact O-CB 3.32Å; A144-V147 PolarHBondContact O-N 3.34Å; A144-F395 HydrophobicContact CB-CD2 4.26Å; A144-A398 HydrophobicContact CB-CB 3.79Å; A144-A399 HydrophobicContact CB-CB 3.97Å; A144-F402 HydrophobicContact CB-CD2 3.68Å; A144-F402 HydrophobicContact CB-CE2 3.64Å
145	F	98.7	Very high	97.2	Very high	5 Å²	5	39 Å²	39	2%	0.022	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-35.6	170.5	-79.6	-59	0	0	0	112.6	Y123 F141 A142 V147 W148 S149 F156 I166 I168 F402 M406	Y123-F145 AromaticContact CD1-CD2 3.87Å; Y123-F145 HydrophobicContact CD1-CD2 3.87Å; Y123-F145 AromaticContact CD1-CE2 3.51Å; Y123-F145 HydrophobicContact CD1-CE2 3.51Å; Y123-F145 HydrophobicContact CD1-CZ 4.07Å; Y123-F145 HydrophobicContact CD2-CD2 4.43Å; Y123-F145 AromaticContact CD2-CE2 3.65Å; Y123-F145 HydrophobicContact CD2-CE2 3.65Å; Y123-F145 HydrophobicContact CD2-CZ 4.41Å; Y123-F145 AromaticContact CE1-CD2 3.76Å; Y123-F145 HydrophobicContact CE1-CD2 3.76Å; Y123-F145 AromaticContact CE1-CE2 3.83Å; Y123-F145 HydrophobicContact CE1-CE2 3.83Å; Y123-F145 HydrophobicContact CE2-CD2 4.35Å; Y123-F145 AromaticContact CE2-CE2 3.96Å; Y123-F145 HydrophobicContact CE2-CE2 3.96Å; Y123-F145 HydrophobicContact CG-CD2 4.19Å; Y123-F145 AromaticContact CG-CE2 3.4Å; Y123-F145 HydrophobicContact CG-CE2 3.4Å; Y123-F145 AromaticContact CG-CZ 3.86Å; Y123-F145 HydrophobicContact CG-CZ 3.86Å; F141-F145 VanDerWaalsContact O-CD2 3.28Å; F141-F145 WeakPolarHBondContact O-CD2 3.45Å; F141-F145 PolarHBondContact O-N 2.84Å; A142-F145 PolarHBondContact O-N 2.87Å; F145-V147 VanDerWaalsContact C-N 3.25Å; F145-V147 PolarHBondContact O-N 2.91Å; F145-W148 PolarHBondContact O-N 2.85Å; F145-W148 VanDerWaalsContact O-N 3.14Å; F145-S149 PolarHBondContact O-N 2.95Å; F145-S149 VanDerWaalsContact O-N 3.09Å; F145-F156 HydrophobicContact CB-CB 4.05Å; F145-F156 HydrophobicContact CB-CD2 3.67Å; F145-F156 HydrophobicContact CB-CE2 4.27Å; F145-F156 HydrophobicContact CB-CG 3.85Å; F145-F156 HydrophobicContact CD1-CB 4.18Å; F145-F156 AromaticContact CD1-CD1 3.4Å; F145-F156 HydrophobicContact CD1-CD1 3.4Å; F145-F156 VanDerWaalsContact CD1-CD1 3.4Å; F145-F156 AromaticContact CD1-CD2 3.85Å; F145-F156 HydrophobicContact CD1-CD2 3.85Å; F145-F156 AromaticContact CD1-CE1 3.63Å; F145-F156 HydrophobicContact CD1-CE1 3.63Å; F145-F156 HydrophobicContact CD1-CE2 4.03Å; F145-F156 AromaticContact CD1-CG 3.52Å; F145-F156 HydrophobicContact CD1-CG 3.52Å; F145-F156 AromaticContact CD1-CZ 3.93Å; F145-F156 HydrophobicContact CD1-CZ 3.93Å; F145-F156 HydrophobicContact CD2-CB 4.48Å; F145-F156 AromaticContact CE1-CD1 3.71Å; F145-F156 HydrophobicContact CE1-CD1 3.71Å; F145-F156 AromaticContact CE1-CE1 3.9Å; F145-F156 HydrophobicContact CE1-CE1 3.9Å; F145-F156 HydrophobicContact CE1-CG 4.25Å; F145-F156 HydrophobicContact CG-CB 3.99Å; F145-F156 HydrophobicContact CG-CD1 4.1Å; F145-F156 HydrophobicContact CG-CD2 4.05Å; F145-F156 AromaticContact CG-CG 3.77Å; F145-F156 HydrophobicContact CG-CG 3.77Å; F145-I166 HydrophobicContact CE1-CD1 3.68Å; F145-I166 HydrophobicContact CZ-CD1 3.93Å; F145-I166 HydrophobicContact CZ-CG2 4.27Å; F145-I168 HydrophobicContact CE2-CD1 4.03Å; F145-I168 HydrophobicContact CZ-CD1 4.29Å; F145-F402 HydrophobicContact CD1-CB 4.26Å; F145-F402 AromaticContact CD1-CD2 3.61Å; F145-F402 HydrophobicContact CD1-CD2 3.61Å; F145-F402 HydrophobicContact CD1-CE2 4.11Å; F145-F402 AromaticContact CD1-CG 3.97Å; F145-F402 HydrophobicContact CD1-CG 3.97Å; F145-F402 AromaticContact CD2-CD2 3.95Å; F145-F402 HydrophobicContact CD2-CD2 3.95Å; F145-F402 AromaticContact CD2-CE2 3.59Å; F145-F402 HydrophobicContact CD2-CE2 3.59Å; F145-F402 HydrophobicContact CD2-CZ 4.21Å; F145-F402 HydrophobicContact CE1-CB 4.05Å; F145-F402 AromaticContact CE1-CD1 3.92Å; F145-F402 HydrophobicContact CE1-CD1 3.92Å; F145-F402 AromaticContact CE1-CD2 3.58Å; F145-F402 HydrophobicContact CE1-CD2 3.58Å; F145-F402 HydrophobicContact CE1-CE1 4.28Å; F145-F402 AromaticContact CE1-CE2 3.96Å; F145-F402 HydrophobicContact CE1-CE2 3.96Å; F145-F402 AromaticContact CE1-CG 3.57Å; F145-F402 HydrophobicContact CE1-CG 3.57Å; F145-F402 HydrophobicContact CE1-CZ 4.3Å; F145-F402 AromaticContact CE2-CD2 3.93Å; F145-F402 HydrophobicContact CE2-CD2 3.93Å; F145-F402 HydrophobicContact CE2-CE1 4.17Å; F145-F402 AromaticContact CE2-CE2 3.42Å; F145-F402 HydrophobicContact CE2-CE2 3.42Å; F145-F402 VanDerWaalsContact CE2-CE2 3.42Å; F145-F402 HydrophobicContact CE2-CG 4.5Å; F145-F402 AromaticContact CE2-CZ 3.57Å; F145-F402 HydrophobicContact CE2-CZ 3.57Å; F145-F402 AromaticContact CG-CD2 3.79Å; F145-F402 HydrophobicContact CG-CD2 3.79Å; F145-F402 AromaticContact CG-CE2 3.93Å; F145-F402 HydrophobicContact CG-CE2 3.93Å; F145-F402 AromaticContact CZ-CD1 3.85Å; F145-F402 HydrophobicContact CZ-CD1 3.85Å; F145-F402 AromaticContact CZ-CD2 3.75Å; F145-F402 HydrophobicContact CZ-CD2 3.75Å; F145-F402 AromaticContact CZ-CE1 3.74Å; F145-F402 HydrophobicContact CZ-CE1 3.74Å; F145-F402 AromaticContact CZ-CE2 3.62Å; F145-F402 HydrophobicContact CZ-CE2 3.62Å; F145-F402 AromaticContact CZ-CG 3.88Å; F145-F402 HydrophobicContact CZ-CG 3.88Å; F145-F402 AromaticContact CZ-CZ 3.62Å; F145-F402 HydrophobicContact CZ-CZ 3.62Å; F145-M406 HydrophobicContact CE1-CE 4.39Å
146	Q	97.4	Very high	97.2	Very high	99 Å²	99	34.6 Å²	34.6	46%	0.463	18%	0.177	S	C	.	.	H	α-helix	trans	-58.8	-39	180	-171.5	175.4	3.1	0	0	112	A142 R143 A144 W148 S149 D150	A142-Q146 PolarHBondContact O-N 3.44Å; R143-Q146 VanDerWaalsContact O-CB 3.31Å; R143-Q146 WeakPolarHBondContact O-CB 3.26Å; R143-Q146 PolarHBondContact O-N 3.47Å; R143-Q146 VanDerWaalsContact O-N 3.12Å; A144-Q146 VanDerWaalsContact C-N 3.3Å; A144-Q146 PolarHBondContact O-N 3.35Å; Q146-W148 PolarHBondContact O-N 2.98Å; Q146-W148 VanDerWaalsContact O-N 3.12Å; Q146-S149 WeakPolarHBondContact CA-OG 3.39Å; Q146-S149 PolarHBondContact O-N 3.4Å; Q146-S149 PolarHBondContact O-OG 2.98Å; Q146-S149 VanDerWaalsContact O-OG 3.11Å; Q146-D150 WeakPolarHBondContact CG-OD1 3.4Å; Q146-D150 PolarHBondContact NE2-OD1 2.01Å; Q146-D150 WeakPolarHBondContact O-CB 3.28Å; Q146-D150 VanDerWaalsContact O-CG 3.26Å; Q146-D150 PolarHBondContact O-N 3.47Å
147	V	97.4	Very high	97.2	Very high	18 Å²	18	38.6 Å²	38.6	11%	0.109	20%	0.199	C	C	.	.	H	α-helix	trans	-46.6	-44.3	175.1	173.3	0	0	0	0	111.9	R143 A144 F145 F395 A399 L417 F428 L430	R143-V147 PolarHBondContact O-N 3.35Å; A144-V147 WeakPolarHBondContact O-CB 3.32Å; A144-V147 PolarHBondContact O-N 3.34Å; F145-V147 VanDerWaalsContact C-N 3.25Å; F145-V147 PolarHBondContact O-N 2.91Å; V147-F395 HydrophobicContact CG2-CE2 4Å; V147-F395 HydrophobicContact CG2-CZ 3.95Å; V147-A399 HydrophobicContact CG2-CB 4.34Å; V147-L417 HydrophobicContact CG1-CD2 4.26Å; V147-F428 HydrophobicContact CG1-CE1 3.81Å; V147-F428 HydrophobicContact CG1-CZ 4.24Å; V147-F428 HydrophobicContact CG2-CD1 4.4Å; V147-F428 HydrophobicContact CG2-CE1 3.83Å; V147-L430 HydrophobicContact CG1-CB 4.29Å; V147-L430 HydrophobicContact CG1-CD1 3.68Å; V147-L430 HydrophobicContact CG1-CD2 3.96Å; V147-L430 HydrophobicContact CG1-CG 4.2Å
148	W	97.3	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-83	-37.3	-179.5	-57.8	113.6	0	0	0	112.7	F145 Q146 D150 V151 T152 F156 A399 G403 L408 L417 M418 L430 D434 I438	F145-W148 PolarHBondContact O-N 2.85Å; F145-W148 VanDerWaalsContact O-N 3.14Å; Q146-W148 PolarHBondContact O-N 2.98Å; Q146-W148 VanDerWaalsContact O-N 3.12Å; W148-D150 VanDerWaalsContact C-N 3.3Å; W148-D150 PolarHBondContact O-N 3.06Å; W148-V151 PolarHBondContact O-N 2.89Å; W148-T152 WeakPolarHBondContact O-CB 3.26Å; W148-T152 WeakPolarHBondContact O-CG2 3.26Å; W148-T152 PolarHBondContact O-N 3.42Å; W148-T152 PolarHBondContact O-OG1 2.96Å; W148-F156 HydrophobicContact CB-CE2 4.31Å; W148-A399 WeakPolarHBondContact CZ2-O 3.33Å; W148-A399 PolarHBondContact NE1-O 3.12Å; W148-G403 VanDerWaalsContact CZ2-CA 3.41Å; W148-L408 HydrophobicContact CE3-CD1 4.26Å; W148-L408 HydrophobicContact CH2-CD1 3.34Å; W148-L408 HydrophobicContact CZ2-CD1 4.12Å; W148-L408 HydrophobicContact CZ3-CD1 3.42Å; W148-L408 VanDerWaalsContact CZ3-CD1 3.42Å; W148-L417 HydrophobicContact CH2-CD2 4.09Å; W148-L417 HydrophobicContact CZ2-CD2 3.61Å; W148-M418 HydrophobicContact CH2-CG 4.11Å; W148-M418 HydrophobicContact CH2-SD 4.01Å; W148-M418 HydrophobicContact CZ2-SD 3.91Å; W148-L430 HydrophobicContact CE3-CD2 4.14Å; W148-L430 HydrophobicContact CH2-CD1 3.9Å; W148-L430 HydrophobicContact CZ3-CD1 3.93Å; W148-L430 HydrophobicContact CZ3-CD2 4.01Å; W148-D434 HydrophobicContact CH2-CB 4.18Å; W148-D434 HydrophobicContact CZ3-CB 4.18Å; W148-I438 HydrophobicContact CE3-CB 3.96Å; W148-I438 HydrophobicContact CE3-CD1 4.19Å; W148-I438 HydrophobicContact CE3-CG1 3.89Å; W148-I438 HydrophobicContact CE3-CG2 4.05Å; W148-I438 HydrophobicContact CZ3-CB 4.01Å; W148-I438 HydrophobicContact CZ3-CG1 4.39Å; W148-I438 HydrophobicContact CZ3-CG2 4.19Å
149	S	95.7	Very high	97.1	Very high	26 Å²	26	43.3 Å²	43.3	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-71	-23.5	-179.9	74.6	0	0	0	0	114	F145 Q146 V151 L154 R155	F145-S149 PolarHBondContact O-N 2.95Å; F145-S149 VanDerWaalsContact O-N 3.09Å; Q146-S149 WeakPolarHBondContact CA-OG 3.39Å; Q146-S149 PolarHBondContact O-N 3.4Å; Q146-S149 PolarHBondContact O-OG 2.98Å; Q146-S149 VanDerWaalsContact O-OG 3.11Å; S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 2.83Å; S149-L154 WeakPolarHBondContact CB-O 3.49Å; S149-R155 PolarHBondContact O-NH1 2.8Å
150	D	94.7	Very high	96.9	Very high	107 Å²	107	45.2 Å²	45.2	57%	0.572	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.4	177.9	-78.6	-7.9	0	0	0	112.1	Q146 W148	Q146-D150 WeakPolarHBondContact CG-OD1 3.4Å; Q146-D150 PolarHBondContact NE2-OD1 2.01Å; Q146-D150 WeakPolarHBondContact O-CB 3.28Å; Q146-D150 VanDerWaalsContact O-CG 3.26Å; Q146-D150 PolarHBondContact O-N 3.47Å; W148-D150 VanDerWaalsContact C-N 3.3Å; W148-D150 PolarHBondContact O-N 3.06Å
151	V	93.4	Very high	96.6	Very high	14 Å²	14	51.4 Å²	51.4	9%	0.085	26%	0.26	C	S	.	.	S	Bend	trans	-116.7	8.9	-177.7	-58.5	0	0	0	0	113.5	W148 S149 L430 I435 I438 Q439 T463	W148-V151 PolarHBondContact O-N 2.89Å; S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 2.83Å; V151-L430 HydrophobicContact CG2-CD2 3.78Å; V151-I435 HydrophobicContact CG1-CD1 4.45Å; V151-I435 HydrophobicContact CG1-CG1 4.24Å; V151-I435 HydrophobicContact CG2-CG1 4.49Å; V151-I438 HydrophobicContact CG2-CG2 3.85Å; V151-Q439 PolarHBondContact O-NE2 3.4Å; V151-T463 HydrophobicContact CG1-CG2 4.27Å
152	T	92.7	Very high	96.5	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	28%	0.28	C	S	.	.	S	Bend	trans	-142	166.9	178.8	67.1	0	0	0	0	112.8	W148 L154 R155 I438	W148-T152 WeakPolarHBondContact O-CB 3.26Å; W148-T152 WeakPolarHBondContact O-CG2 3.26Å; W148-T152 PolarHBondContact O-N 3.42Å; W148-T152 PolarHBondContact O-OG1 2.96Å; T152-L154 PolarHBondContact O-N 2.79Å; T152-L154 WeakPolarHBondContact OG1-CB 3.49Å; T152-L154 PolarHBondContact OG1-N 3.17Å; T152-R155 PolarHBondContact O-NH1 3.01Å; T152-I438 HydrophobicContact CG2-CB 4.23Å; T152-I438 HydrophobicContact CG2-CG1 3.55Å; T152-I438 HydrophobicContact CG2-CG2 3.73Å
153	P	94.8	Very high	96.3	Very high	57 Å²	57	58.2 Å²	58.2	37%	0.37	30%	0.296	S	S	.	.	S	Bend	trans	-71.5	-2.6	168.1	-18.7	33.3	0	0	0	114.8
154	L	95.7	Very high	96.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.			trans	-65.9	143.2	-176.6	-67.6	166.2	0	0	0	111.3	N119 I121 S149 T152 F156 M406 Y442	N119-L154 CarbonylContact O-C 3.5Å; N119-L154 WeakPolarHBondContact O-CA 3.09Å; I121-L154 HydrophobicContact CG1-CD2 4.1Å; S149-L154 WeakPolarHBondContact CB-O 3.49Å; T152-L154 PolarHBondContact O-N 2.79Å; T152-L154 WeakPolarHBondContact OG1-CB 3.49Å; T152-L154 PolarHBondContact OG1-N 3.17Å; L154-F156 HydrophobicContact CB-CE2 4.02Å; L154-F156 HydrophobicContact CB-CZ 3.96Å; L154-F156 HydrophobicContact CD1-CZ 4.19Å; L154-M406 HydrophobicContact CD1-CG 4.14Å; L154-M406 HydrophobicContact CD1-SD 4.1Å; L154-Y442 HydrophobicContact CD1-CD1 3.96Å; L154-Y442 HydrophobicContact CD1-CD2 3.79Å; L154-Y442 HydrophobicContact CD1-CE1 4.16Å; L154-Y442 HydrophobicContact CD1-CE2 4.01Å; L154-Y442 HydrophobicContact CD1-CG 3.76Å; L154-Y442 HydrophobicContact CD2-CD1 3.69Å; L154-Y442 HydrophobicContact CD2-CE1 3.82Å; L154-Y442 HydrophobicContact CD2-CG 4.29Å; L154-Y442 HydrophobicContact CG-CD1 3.99Å; L154-Y442 HydrophobicContact CG-CE1 4.42Å; L154-Y442 HydrophobicContact CG-CG 4.07Å
155	R	97.1	Very high	96.3	Very high	122 Å²	122	56.1 Å²	56.1	46%	0.46	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.2	177.2	-62.1	-63.7	176.8	-107.2	7.1	109	N119 H120 I121 S149 T152	N119-R155 PolarHBondContact O-N 2.83Å; H120-R155 WeakPolarHBondContact CA-O 3.02Å; I121-R155 PolarHBondContact N-O 3.39Å; S149-R155 PolarHBondContact O-NH1 2.8Å; T152-R155 PolarHBondContact O-NH1 3.01Å
156	F	98.3	Very high	96.3	Very high	29 Å²	29	55.9 Å²	55.9	13%	0.127	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.7	-176.7	-58.6	-78.3	0	0	0	110	I121 Y123 F145 W148 L154 M406	I121-F156 HydrophobicContact CB-CD1 3.78Å; I121-F156 HydrophobicContact CB-CE1 3.89Å; I121-F156 HydrophobicContact CG1-CD1 4.46Å; I121-F156 HydrophobicContact CG1-CE1 4.12Å; I121-F156 HydrophobicContact CG2-CD1 4.15Å; I121-F156 HydrophobicContact CG2-CE1 4.19Å; I121-F156 CarbonylContact O-C 3.6Å; I121-F156 VanDerWaalsContact O-CA 3.3Å; I121-F156 WeakPolarHBondContact O-CA 3.49Å; Y123-F156 HydrophobicContact CD1-CB 4.12Å; Y123-F156 HydrophobicContact CE1-CB 4.13Å; F145-F156 HydrophobicContact CB-CB 4.05Å; F145-F156 HydrophobicContact CB-CD2 3.67Å; F145-F156 HydrophobicContact CB-CE2 4.27Å; F145-F156 HydrophobicContact CB-CG 3.85Å; F145-F156 HydrophobicContact CD1-CB 4.18Å; F145-F156 AromaticContact CD1-CD1 3.4Å; F145-F156 HydrophobicContact CD1-CD1 3.4Å; F145-F156 VanDerWaalsContact CD1-CD1 3.4Å; F145-F156 AromaticContact CD1-CD2 3.85Å; F145-F156 HydrophobicContact CD1-CD2 3.85Å; F145-F156 AromaticContact CD1-CE1 3.63Å; F145-F156 HydrophobicContact CD1-CE1 3.63Å; F145-F156 HydrophobicContact CD1-CE2 4.03Å; F145-F156 AromaticContact CD1-CG 3.52Å; F145-F156 HydrophobicContact CD1-CG 3.52Å; F145-F156 AromaticContact CD1-CZ 3.93Å; F145-F156 HydrophobicContact CD1-CZ 3.93Å; F145-F156 HydrophobicContact CD2-CB 4.48Å; F145-F156 AromaticContact CE1-CD1 3.71Å; F145-F156 HydrophobicContact CE1-CD1 3.71Å; F145-F156 AromaticContact CE1-CE1 3.9Å; F145-F156 HydrophobicContact CE1-CE1 3.9Å; F145-F156 HydrophobicContact CE1-CG 4.25Å; F145-F156 HydrophobicContact CG-CB 3.99Å; F145-F156 HydrophobicContact CG-CD1 4.1Å; F145-F156 HydrophobicContact CG-CD2 4.05Å; F145-F156 AromaticContact CG-CG 3.77Å; F145-F156 HydrophobicContact CG-CG 3.77Å; W148-F156 HydrophobicContact CB-CE2 4.31Å; L154-F156 HydrophobicContact CB-CE2 4.02Å; L154-F156 HydrophobicContact CB-CZ 3.96Å; L154-F156 HydrophobicContact CD1-CZ 4.19Å; F156-M406 HydrophobicContact CE1-CE 3.72Å; F156-M406 HydrophobicContact CE1-SD 3.61Å; F156-M406 HydrophobicContact CZ-CE 4.18Å; F156-M406 HydrophobicContact CZ-CG 4.34Å; F156-M406 HydrophobicContact CZ-SD 3.71Å
157	N	97.8	Very high	96.3	Very high	88 Å²	88	52.3 Å²	52.3	47%	0.471	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.4	178.6	-67.4	-45.8	0	0	0	110.1	I121 T122 Y123	I121-N157 PolarHBondContact O-N 3.12Å; T122-N157 VanDerWaalsContact CA-O 3.25Å; T122-N157 WeakPolarHBondContact CA-O 3.3Å; Y123-N157 PolarHBondContact N-O 3.05Å
158	R	98.1	Very high	96.4	Very high	83 Å²	83	51.5 Å²	51.5	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.6	173.7	-170.8	176.3	169.3	-179.8	4.8	110.4	Y123 Y128 D138 N160	Y123-R158 HydrophobicContact CD2-CB 4.42Å; Y123-R158 HydrophobicContact CD2-CG 4.28Å; Y123-R158 HydrophobicContact CE1-CB 3.98Å; Y123-R158 HydrophobicContact CE2-CB 3.81Å; Y123-R158 HydrophobicContact CE2-CG 3.82Å; Y123-R158 CarbonylContact O-C 2.96Å; Y123-R158 VanDerWaalsContact O-CA 3.29Å; Y123-R158 WeakPolarHBondContact O-CA 3.04Å; Y128-R158 PolarHBondContact OH-NH2 3.01Å; D138-R158 IonicContact OD1-CZ 3.36Å; D138-R158 IonicContact OD1-NH1 3.77Å; D138-R158 PolarHBondContact OD1-NH1 3.33Å; D138-R158 VanDerWaalsContact OD1-NH1 3.07Å; D138-R158 IonicContact OD1-NH2 3.71Å; D138-R158 IonicContact OD2-CZ 2.58Å; D138-R158 IonicContact OD2-NH1 2.86Å; D138-R158 PolarHBondContact OD2-NH1 2.88Å; D138-R158 IonicContact OD2-NH2 3.62Å; R158-N160 PolarHBondContact NE-OD1 3.24Å
159	I	97.9	Very high	96.4	Very high	48 Å²	48	53.8 Å²	53.8	25%	0.246	28%	0.282	C	S	.	.			trans	-116.9	153.3	165.4	68.5	175	0	0	0	109.9	T122 Y123 R124 A164	T122-I159 HydrophobicContact CG2-CG2 4.04Å; Y123-I159 PolarHBondContact O-N 3.41Å; R124-I159 HydrophobicContact CB-CG1 4.14Å; I159-A164 HydrophobicContact CD1-CB 3.65Å; I159-A164 HydrophobicContact CG1-CB 3.84Å
160	N	94.6	Very high	96.5	Very high	117 Å²	117	53.4 Å²	53.4	63%	0.626	28%	0.277	S	S	*	.	S	Bend	trans	-111.3	-6.7	-175.1	-64.6	-29.8	0	0	0	113.5	R158	R158-N160 PolarHBondContact NE-OD1 3.24Å
161	D	93.1	Very high	96.3	Very high	130 Å²	130	48.7 Å²	48.7	70%	0.695	25%	0.254	S	S	*	.	S	Bend	trans	-145.6	156.6	180	-169.3	34.8	0	0	0	110.6
162	G	94.8	Very high	96	Very high	39 Å²	39	53.5 Å²	53.5	40%	0.402	27%	0.27	S	S	.	.	S	Bend	trans	72.7	-172.8	-174.4	0	0	0	0	0	114.7	R124	R124-G162 WeakPolarHBondContact CD-O 3.4Å; R124-G162 PolarHBondContact NH1-O 2.94Å
163	E	96.4	Very high	95.9	Very high	147 Å²	147	59.2 Å²	59.2	69%	0.687	29%	0.291	S	S	*	.			trans	-85.6	129.6	177.3	-167.7	172.7	-177.7	0	0	109.5
164	A	97.8	Very high	95.8	Very high	10 Å²	10	61.5 Å²	61.5	8%	0.083	30%	0.297	C	S	.	.			trans	-100.3	174.2	174.8	0	0	0	0	0	110.2	R124 I159 I166 M167	R124-A164 HydrophobicContact CB-CB 3.72Å; I159-A164 HydrophobicContact CD1-CB 3.65Å; I159-A164 HydrophobicContact CG1-CB 3.84Å; A164-I166 VanDerWaalsContact C-N 3.29Å; A164-M167 HydrophobicContact CB-SD 3.72Å; A164-M167 PolarHBondContact N-SD 3.46Å; A164-M167 VanDerWaalsContact N-SD 3.4Å
165	D	98.3	Very high	95.7	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.15	31%	0.305	C	S	.	.	S	Bend	trans	-73.6	-25.6	172	-57.5	-63.3	0	0	0	112.7	W116 K118 I121 T122	W116-D165 HydrophobicContact CH2-CB 4.09Å; W116-D165 HydrophobicContact CZ2-CB 4.23Å; K118-D165 VanDerWaalsContact CE-CG 3.47Å; K118-D165 WeakPolarHBondContact CE-OD1 2.99Å; K118-D165 WeakPolarHBondContact CE-OD2 3.4Å; K118-D165 IonicContact NZ-OD1 2.61Å; K118-D165 PolarHBondContact NZ-OD1 2.72Å; K118-D165 IonicContact NZ-OD2 3.86Å; K118-D165 PolarHBondContact NZ-OD2 3.48Å; I121-D165 HydrophobicContact CG2-CB 3.7Å; T122-D165 PolarHBondContact N-OD2 3.44Å; T122-D165 WeakPolarHBondContact O-CA 3.34Å; T122-D165 VanDerWaalsContact O-CB 3.3Å; T122-D165 WeakPolarHBondContact O-CB 3.28Å; T122-D165 PolarHBondContact O-N 3.25Å; T122-D165 PolarHBondContact OG1-N 3.04Å; T122-D165 VanDerWaalsContact OG1-N 3.16Å; T122-D165 PolarHBondContact OG1-OD2 3.05Å
166	I	98.7	Very high	95.4	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	110	179.1	-61	169.3	0	0	0	107.6	I121 T122 Y123 R124 F145 A164 I168 G200 A405 M406	I121-I166 HydrophobicContact CG2-CD1 3.79Å; I121-I166 HydrophobicContact CG2-CG1 4.18Å; T122-I166 PolarHBondContact O-N 3.17Å; T122-I166 VanDerWaalsContact O-N 3.1Å; Y123-I166 CarbonylContact C-O 3.6Å; Y123-I166 VanDerWaalsContact CA-O 3.23Å; Y123-I166 WeakPolarHBondContact CA-O 3.47Å; R124-I166 PolarHBondContact N-O 3Å; F145-I166 HydrophobicContact CE1-CD1 3.68Å; F145-I166 HydrophobicContact CZ-CD1 3.93Å; F145-I166 HydrophobicContact CZ-CG2 4.27Å; A164-I166 VanDerWaalsContact C-N 3.29Å; I166-I168 HydrophobicContact CG2-CG1 3.96Å; I166-G200 WeakPolarHBondContact CG2-O 3.48Å; I166-A405 HydrophobicContact CD1-CB 4.13Å; I166-A405 HydrophobicContact CG1-CB 4.37Å; I166-M406 HydrophobicContact CD1-CE 3.32Å
167	M	98.4	Very high	95.1	Very high	25 Å²	25	61 Å²	61	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125	170.3	-56.3	-59.2	-96.8	0	0	109.6	R124 I126 A164 D201 S202	R124-M167 HydrophobicContact CB-SD 3.9Å; I126-M167 HydrophobicContact CD1-CB 3.7Å; I126-M167 HydrophobicContact CD1-CE 3.45Å; I126-M167 VanDerWaalsContact CD1-CE 3.45Å; I126-M167 HydrophobicContact CD1-CG 4.14Å; I126-M167 HydrophobicContact CD1-SD 4.27Å; I126-M167 HydrophobicContact CG1-CB 4.38Å; I126-M167 HydrophobicContact CG1-CE 3.9Å; A164-M167 HydrophobicContact CB-SD 3.72Å; A164-M167 PolarHBondContact N-SD 3.46Å; A164-M167 VanDerWaalsContact N-SD 3.4Å; M167-D201 HydrophobicContact CB-CB 4.48Å; M167-D201 WeakPolarHBondContact CB-OD1 3.38Å; M167-D201 WeakPolarHBondContact CG-OD1 3.36Å; M167-D201 PolarHBondContact N-OD1 2.69Å; M167-D201 WeakPolarHBondContact O-CA 3.47Å; M167-S202 PolarHBondContact O-N 3.14Å
168	I	98.8	Very high	94.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.9	-178.3	-57.9	168.1	0	0	0	108.8	Y123 R124 I125 I126 F141 F145 I166 S202 F204 F402	Y123-I168 HydrophobicContact CD2-CD1 3.78Å; Y123-I168 HydrophobicContact CG-CD1 4.47Å; R124-I168 PolarHBondContact O-N 2.8Å; I125-I168 HydrophobicContact CG1-CB 4.45Å; I125-I168 HydrophobicContact CG1-CD1 4.2Å; I126-I168 PolarHBondContact N-O 2.57Å; F141-I168 HydrophobicContact CD2-CD1 4.34Å; F141-I168 HydrophobicContact CD2-CG2 4.24Å; F141-I168 HydrophobicContact CE1-CG2 4.04Å; F141-I168 HydrophobicContact CE2-CG2 3.58Å; F141-I168 HydrophobicContact CG-CD1 4.3Å; F141-I168 HydrophobicContact CZ-CG2 3.47Å; F141-I168 VanDerWaalsContact CZ-CG2 3.47Å; F145-I168 HydrophobicContact CE2-CD1 4.03Å; F145-I168 HydrophobicContact CZ-CD1 4.29Å; I166-I168 HydrophobicContact CG2-CG1 3.96Å; I168-S202 WeakPolarHBondContact CA-O 3.49Å; I168-F204 HydrophobicContact CG2-CD2 4.18Å; I168-F204 HydrophobicContact CG2-CE2 3.79Å; I168-F402 HydrophobicContact CD1-CE1 3.9Å; I168-F402 HydrophobicContact CD1-CZ 3.65Å; I168-F402 HydrophobicContact CG1-CE1 4.13Å; I168-F402 HydrophobicContact CG1-CZ 4.35Å
169	N	97.8	Very high	94.5	Very high	49 Å²	49	61.7 Å²	61.7	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.9	-179.4	-163.9	33.3	0	0	0	113	G127 S202 H203 F204	G127-N169 VanDerWaalsContact CA-OD1 3.29Å; G127-N169 WeakPolarHBondContact CA-OD1 3.39Å; G127-N169 PolarHBondContact N-OD1 2.9Å; N169-S202 PolarHBondContact N-O 2.8Å; N169-S202 VanDerWaalsContact N-O 3.08Å; N169-H203 WeakPolarHBondContact O-CA 3.46Å; N169-F204 PolarHBondContact O-N 3.4Å
170	F	96.8	Very high	94.3	Very high	17 Å²	17	62.1 Å²	62.1	8%	0.075	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133	170	-69.9	-99.1	0	0	0	108.5	G127 T129 V137 F141 F204 D206 W210 L394	G127-F170 WeakPolarHBondContact O-CD2 3.43Å; T129-F170 HydrophobicContact CG2-CE1 3.9Å; T129-F170 HydrophobicContact CG2-CE2 4.48Å; T129-F170 HydrophobicContact CG2-CZ 3.87Å; V137-F170 HydrophobicContact CG1-CE2 4.37Å; F141-F170 HydrophobicContact CE2-CE2 4.13Å; F141-F170 HydrophobicContact CE2-CZ 4.49Å; F141-F170 AromaticContact CZ-CE2 3.77Å; F141-F170 HydrophobicContact CZ-CE2 3.77Å; F141-F170 AromaticContact CZ-CZ 3.82Å; F141-F170 HydrophobicContact CZ-CZ 3.82Å; F170-F204 CarbonylContact C-O 3.58Å; F170-F204 VanDerWaalsContact CA-O 3.32Å; F170-F204 WeakPolarHBondContact CA-O 3.5Å; F170-F204 HydrophobicContact CD1-CB 3.57Å; F170-F204 HydrophobicContact CE1-CB 3.61Å; F170-F204 HydrophobicContact CE1-CG 4.2Å; F170-F204 HydrophobicContact CG-CB 4.2Å; F170-F204 HydrophobicContact CZ-CB 4.28Å; F170-F204 HydrophobicContact CZ-CG 4.44Å; F170-D206 HydrophobicContact CB-CB 4.05Å; F170-W210 AromaticContact CD1-NE1 3.66Å; F170-W210 AromaticContact CE1-CD1 3.66Å; F170-W210 HydrophobicContact CE1-CD2 4.1Å; F170-W210 AromaticContact CE1-CE2 3.85Å; F170-W210 AromaticContact CE1-CG 3.98Å; F170-W210 HydrophobicContact CE1-CG 3.98Å; F170-W210 AromaticContact CE1-NE1 3.53Å; F170-L394 HydrophobicContact CE1-CD1 4.08Å; F170-L394 HydrophobicContact CZ-CD1 3.76Å; F170-L394 HydrophobicContact CZ-CD2 4.04Å
171	G	91	Very high	94.2	Very high	9 Å²	9	56.9 Å²	56.9	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	156.7	-175.8	0	0	0	0	0	111.3	F181 F204 D205 D206	G171-F181 WeakPolarHBondContact O-CD2 3.33Å; G171-F204 PolarHBondContact N-O 2.94Å; G171-D205 CarbonylContact O-C 3.58Å; G171-D205 WeakPolarHBondContact O-CA 3.39Å; G171-D206 PolarHBondContact O-N 3.33Å
172	R	87.8	Confident	94	Very high	114 Å²	114	53.5 Å²	53.5	43%	0.43	29%	0.293	S	S	.	.			trans	-116.9	145.4	178.4	-54.4	177.4	-177.5	-137.1	-0.9	109.2	E174 D206 D207	R172-E174 CarbonylContact O-C 3.51Å; R172-E174 PolarHBondContact O-N 2.84Å; R172-D206 HydrophobicContact CG-CB 3.67Å; R172-D206 IonicContact CZ-OD2 2.97Å; R172-D206 VanDerWaalsContact CZ-OD2 3.26Å; R172-D206 IonicContact NE-OD2 3.26Å; R172-D206 PolarHBondContact NE-OD2 3.37Å; R172-D206 PolarHBondContact NH2-O 3.4Å; R172-D206 IonicContact NH2-OD2 3.57Å; R172-D206 PolarHBondContact NH2-OD2 3.14Å; R172-D207 VanDerWaalsContact CD-OD1 3.3Å; R172-D207 WeakPolarHBondContact CD-OD1 3.42Å; R172-D207 IonicContact CZ-OD1 3.96Å; R172-D207 IonicContact NE-OD1 2.75Å; R172-D207 IonicContact NH1-OD1 3.49Å; R172-D207 PolarHBondContact NH1-OD1 3.15Å
173	W	89.4	Confident	93.6	Very high	132 Å²	132	51.8 Å²	51.8	50%	0.5	28%	0.275	S	S	.	.	S	Bend	trans	44.7	-125.8	175.6	-55.4	89.6	0	0	0	111.3	H175 P180 F181 D182 D207	W173-H175 PolarHBondContact O-N 3.22Å; W173-H175 PolarHBondContact O-ND1 3.48Å; W173-P180 CarbonylContact O-C 3.6Å; W173-P180 WeakPolarHBondContact O-CA 3.34Å; W173-F181 PolarHBondContact O-N 2.94Å; W173-D182 WeakPolarHBondContact CH2-O 3.24Å; W173-D182 WeakPolarHBondContact CZ3-O 3.43Å; W173-D207 PolarHBondContact NE1-OD2 2.76Å
174	E	93.3	Very high	93.1	Very high	104 Å²	104	46.4 Å²	46.4	49%	0.486	25%	0.249	S	C	.	.	S	Bend	trans	-72.9	114.6	169	-179.4	56.8	-119.5	0	0	110.8	R172 G176 G178 P180	R172-E174 CarbonylContact O-C 3.51Å; R172-E174 PolarHBondContact O-N 2.84Å; E174-G176 PolarHBondContact OE1-N 3.45Å; E174-G178 PolarHBondContact OE1-N 3.27Å; E174-P180 HydrophobicContact CB-CB 4.32Å
175	H	93.4	Very high	92.7	Very high	38 Å²	38	47.2 Å²	47.2	18%	0.176	25%	0.252	C	S	.	.			trans	-120.7	17.1	-174.1	52.2	-86.3	0	0	0	113.4	W173 D177 Y179 F181 H190 H203	W173-H175 PolarHBondContact O-N 3.22Å; W173-H175 PolarHBondContact O-ND1 3.48Å; H175-D177 IonicContact CD2-OD1 3.9Å; H175-D177 IonicContact CD2-OD2 2.75Å; H175-D177 IonicContact CE1-OD1 2.7Å; H175-D177 IonicContact NE2-OD1 3.87Å; H175-D177 IonicContact NE2-OD2 2.71Å; H175-D177 PolarHBondContact NE2-OD2 2.86Å; H175-Y179 PolarHBondContact CE1-O 3.31Å; H175-F181 AromaticContact CE1-CD2 3.36Å; H175-F181 WeakPolarHBondContact CE1-CD2 3.38Å; H175-F181 AromaticContact CE1-CE2 3.22Å; H175-F181 WeakPolarHBondContact CE1-CE2 3.19Å; H175-F181 AromaticContact CE1-CG 3.97Å; H175-F181 AromaticContact CE1-CZ 3.73Å; H175-F181 AromaticContact ND1-CD2 3.39Å; H175-F181 WeakPolarHBondContact ND1-CD2 3.36Å; H175-F181 AromaticContact ND1-CE2 3.56Å; H175-F181 AromaticContact NE2-CE2 3.7Å; H175-H190 AromaticContact CE1-CE1 3.47Å; H175-H190 PolarHBondContact CE1-CE1 2.71Å; H175-H190 VanDerWaalsContact CE1-CE1 3.47Å; H175-H190 AromaticContact CE1-NE2 3.98Å; H175-H190 AromaticContact NE2-CE1 3.24Å; H175-H190 PolarHBondContact NE2-CE1 2.81Å; H175-H190 AromaticContact NE2-NE2 3.29Å; H175-H190 PolarHBondContact NE2-NE2 3.36Å; H175-H203 AromaticContact CD2-CG 3.91Å; H175-H203 AromaticContact CD2-ND1 3.53Å; H175-H203 AromaticContact NE2-CG 3.84Å; H175-H203 AromaticContact NE2-ND1 3.4Å; H175-H203 PolarHBondContact NE2-ND1 2.95Å
176	G	92.1	Very high	92.3	Very high	74 Å²	74	46.9 Å²	46.9	76%	0.763	26%	0.256	S	S	*	.	S	Bend	trans	108.2	4.3	163.4	0	0	0	0	0	115.7	E174	E174-G176 PolarHBondContact OE1-N 3.45Å
177	D	91.5	Very high	92.1	Very high	29 Å²	29	47 Å²	47	16%	0.155	26%	0.256	C	S	.	.	S	Bend	trans	-114	-3.5	177.6	65.2	9.3	0	0	0	113.6	H175 Y179 H190 F192 H203	H175-D177 IonicContact CD2-OD1 3.9Å; H175-D177 IonicContact CD2-OD2 2.75Å; H175-D177 IonicContact CE1-OD1 2.7Å; H175-D177 IonicContact NE2-OD1 3.87Å; H175-D177 IonicContact NE2-OD2 2.71Å; H175-D177 PolarHBondContact NE2-OD2 2.86Å; D177-Y179 VanDerWaalsContact C-N 3.34Å; D177-Y179 WeakPolarHBondContact O-CD2 3.18Å; D177-Y179 PolarHBondContact OD1-N 2.83Å; D177-H190 IonicContact OD2-CD2 2.86Å; D177-H190 IonicContact OD2-CE1 3.82Å; D177-H190 PolarHBondContact OD2-CE1 2.75Å; D177-H190 IonicContact OD2-NE2 3.18Å; D177-H190 PolarHBondContact OD2-NE2 2.94Å; D177-F192 HydrophobicContact CB-CE2 4.28Å; D177-F192 HydrophobicContact CB-CZ 4.01Å; D177-F192 WeakPolarHBondContact OD2-CE2 3.42Å; D177-F192 WeakPolarHBondContact OD2-CZ 3.28Å; D177-H203 IonicContact OD2-CE1 2.72Å; D177-H203 PolarHBondContact OD2-CE1 2.88Å; D177-H203 VanDerWaalsContact OD2-CE1 3.25Å; D177-H203 IonicContact OD2-ND1 3.69Å; D177-H203 PolarHBondContact OD2-ND1 2.84Å
178	G	91.6	Very high	92.1	Very high	50 Å²	50	46 Å²	46	52%	0.515	25%	0.251	S	S	.	.	S	Bend	trans	81.2	7	-178.6	0	0	0	0	0	114.9	E174 P180	E174-G178 PolarHBondContact OE1-N 3.27Å; G178-P180 VanDerWaalsContact O-CD 3.31Å; G178-P180 WeakPolarHBondContact O-CD 3.33Å
179	Y	91.3	Very high	92.1	Very high	136 Å²	136	46 Å²	46	53%	0.533	25%	0.251	S	S	.	.			trans	-114.7	78.5	176.7	-64.2	-82.8	0	0	0	110.4	H175 D177 H190 F192	H175-Y179 PolarHBondContact CE1-O 3.31Å; D177-Y179 VanDerWaalsContact C-N 3.34Å; D177-Y179 WeakPolarHBondContact O-CD2 3.18Å; D177-Y179 PolarHBondContact OD1-N 2.83Å; Y179-H190 PolarHBondContact O-CE1 2.72Å; Y179-H190 VanDerWaalsContact O-CE1 3.26Å; Y179-F192 AromaticContact CD2-CE1 3.96Å; Y179-F192 HydrophobicContact CD2-CE1 3.96Å; Y179-F192 AromaticContact CD2-CZ 3.84Å; Y179-F192 HydrophobicContact CD2-CZ 3.84Å; Y179-F192 AromaticContact CE2-CE1 3.81Å; Y179-F192 HydrophobicContact CE2-CE1 3.81Å; Y179-F192 HydrophobicContact CE2-CZ 4.11Å
180	P	93.3	Very high	92.1	Very high	57 Å²	57	43.9 Å²	43.9	37%	0.37	24%	0.24	S	C	.	.			trans	-67.2	144.2	-172.5	26.9	-35.8	0	0	0	113	K53 W173 E174 G178	K53-P180 PolarHBondContact NZ-O 3.12Å; W173-P180 CarbonylContact O-C 3.6Å; W173-P180 WeakPolarHBondContact O-CA 3.34Å; E174-P180 HydrophobicContact CB-CB 4.32Å; G178-P180 VanDerWaalsContact O-CD 3.31Å; G178-P180 WeakPolarHBondContact O-CD 3.33Å
181	F	93.2	Very high	92.1	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.026	24%	0.237	C	C	.	.			trans	-72.7	175	162.3	-65.9	-55.3	0	0	0	112	G171 W173 H175 L187 H190 H203 D205	G171-F181 WeakPolarHBondContact O-CD2 3.33Å; W173-F181 PolarHBondContact O-N 2.94Å; H175-F181 AromaticContact CE1-CD2 3.36Å; H175-F181 WeakPolarHBondContact CE1-CD2 3.38Å; H175-F181 AromaticContact CE1-CE2 3.22Å; H175-F181 WeakPolarHBondContact CE1-CE2 3.19Å; H175-F181 AromaticContact CE1-CG 3.97Å; H175-F181 AromaticContact CE1-CZ 3.73Å; H175-F181 AromaticContact ND1-CD2 3.39Å; H175-F181 WeakPolarHBondContact ND1-CD2 3.36Å; H175-F181 AromaticContact ND1-CE2 3.56Å; H175-F181 AromaticContact NE2-CE2 3.7Å; F181-L187 HydrophobicContact CD1-CB 4.09Å; F181-H190 AromaticContact CE1-ND1 3.88Å; F181-H203 HydrophobicContact CE2-CB 4.33Å; F181-H203 HydrophobicContact CZ-CB 4.04Å; F181-D205 HydrophobicContact CB-CB 4.23Å; F181-D205 VanDerWaalsContact CB-OD2 3.26Å; F181-D205 WeakPolarHBondContact CB-OD2 3.49Å; F181-D205 HydrophobicContact CD1-CB 3.94Å; F181-D205 HydrophobicContact CD2-CB 3.81Å; F181-D205 HydrophobicContact CE1-CB 4.26Å; F181-D205 HydrophobicContact CE2-CB 4.11Å; F181-D205 HydrophobicContact CG-CB 3.74Å; F181-D205 HydrophobicContact CZ-CB 4.34Å
182	D	88.7	Confident	92.4	Very high	59 Å²	59	44 Å²	44	32%	0.316	24%	0.238	S	C	.	.			trans	-122.9	10.5	-174.3	61.6	-20.6	0	0	0	115.5	W173 L187	W173-D182 WeakPolarHBondContact CH2-O 3.24Å; W173-D182 WeakPolarHBondContact CZ3-O 3.43Å; D182-L187 HydrophobicContact CB-CD1 4.49Å; D182-L187 WeakPolarHBondContact OD1-CB 3.31Å; D182-L187 VanDerWaalsContact OD1-CG 3.31Å; D182-L187 WeakPolarHBondContact OD1-CG 3.21Å; D182-L187 PolarHBondContact OD1-N 3.26Å; D182-L187 VanDerWaalsContact OD1-N 3.07Å
183	G	86.1	Confident	92.6	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	22%	0.223	C	C	.	.	S	Bend	trans	89.4	-159.4	179.7	0	0	0	0	0	111	D185 D205	G183-D185 PolarHBondContact O-N 2.99Å; G183-D185 VanDerWaalsContact O-O 3.06Å; G183-D205 PolarHBondContact N-OD2 2.83Å; G183-D205 VanDerWaalsContact O-OD2 3.11Å
184	K	85.3	Confident	92.9	Very high	35 Å²	35	33.9 Å²	33.9	15%	0.152	21%	0.205	C	C	.	.	S	Bend	trans	-60.6	134.3	-176.2	-178.2	171.5	171	54.9	0	113.9	V337 F386 D389	K184-V337 HydrophobicContact CD-CG1 3.91Å; K184-F386 HydrophobicContact CD-CD2 4.36Å; K184-D389 WeakPolarHBondContact CE-OD2 3.24Å; K184-D389 IonicContact NZ-OD1 3.93Å; K184-D389 IonicContact NZ-OD2 3.3Å; K184-D389 PolarHBondContact NZ-OD2 3.22Å
185	D	89.1	Confident	92.9	Very high	26 Å²	26	30 Å²	30	14%	0.139	19%	0.193	C	C	.	.	S	Bend	trans	61	-174.2	-170.8	-46.8	-49.2	0	0	0	113	G183 L187 E208 K369 Y392	G183-D185 PolarHBondContact O-N 2.99Å; G183-D185 VanDerWaalsContact O-O 3.06Å; D185-L187 PolarHBondContact O-N 2.75Å; D185-E208 VanDerWaalsContact C-OE1 3.25Å; D185-E208 WeakPolarHBondContact CA-OE1 3.47Å; D185-E208 PolarHBondContact N-OE1 2.86Å; D185-E208 PolarHBondContact N-OE2 2.64Å; D185-K369 WeakPolarHBondContact OD2-CE 3.14Å; D185-K369 IonicContact OD2-NZ 3.85Å; D185-K369 PolarHBondContact OD2-NZ 2.98Å; D185-Y392 PolarHBondContact OD1-OH 2.79Å
186	G	91.8	Very high	92.7	Very high	22 Å²	22	34.3 Å²	34.3	23%	0.227	23%	0.225	C	C	.	.	S	Bend	trans	77.4	-96.6	-178.9	0	0	0	0	0	110.4	P97 R98	P97-G186 CarbonylContact C-O 3.27Å; P97-G186 WeakPolarHBondContact CA-O 3.34Å; R98-G186 PolarHBondContact N-O 3.5Å
187	L	94.3	Very high	92.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-96	112.5	-176.8	-64.4	175.1	0	0	0	112.8	K53 Y54 F181 D182 D185 D205	K53-L187 HydrophobicContact CD-CD1 4.09Å; Y54-L187 HydrophobicContact CE1-CD2 4.12Å; Y54-L187 WeakPolarHBondContact OH-CD2 3.36Å; F181-L187 HydrophobicContact CD1-CB 4.09Å; D182-L187 HydrophobicContact CB-CD1 4.49Å; D182-L187 WeakPolarHBondContact OD1-CB 3.31Å; D182-L187 VanDerWaalsContact OD1-CG 3.31Å; D182-L187 WeakPolarHBondContact OD1-CG 3.21Å; D182-L187 PolarHBondContact OD1-N 3.26Å; D182-L187 VanDerWaalsContact OD1-N 3.07Å; D185-L187 PolarHBondContact O-N 2.75Å; L187-D205 WeakPolarHBondContact O-CB 3.26Å
188	L	98.1	Very high	92.8	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	23%	0.225	C	C	.	.			trans	-83.7	-42	-174.9	-55.5	-174	0	0	0	113.1	P97 R98 D205 E208 W210 Y392 V397 Y422	P97-L188 HydrophobicContact CB-CD1 4.19Å; P97-L188 HydrophobicContact CB-CD2 4.02Å; P97-L188 HydrophobicContact CB-CG 4.23Å; R98-L188 PolarHBondContact O-N 2.98Å; R98-L188 VanDerWaalsContact O-N 3.09Å; L188-D205 PolarHBondContact O-N 2.85Å; L188-E208 HydrophobicContact CD2-CG 4.18Å; L188-E208 VanDerWaalsContact CD2-OE1 3.23Å; L188-E208 WeakPolarHBondContact CD2-OE1 3.4Å; L188-W210 HydrophobicContact CB-CH2 4.3Å; L188-W210 WeakPolarHBondContact O-CH2 2.99Å; L188-W210 VanDerWaalsContact O-CZ2 3.3Å; L188-W210 WeakPolarHBondContact O-CZ2 3.48Å; L188-Y392 HydrophobicContact CD1-CD1 3.5Å; L188-Y392 VanDerWaalsContact CD1-CD1 3.5Å; L188-Y392 HydrophobicContact CD1-CE1 3.94Å; L188-Y392 HydrophobicContact CD1-CG 3.89Å; L188-Y392 HydrophobicContact CD2-CD1 3.75Å; L188-Y392 HydrophobicContact CD2-CD2 3.58Å; L188-Y392 HydrophobicContact CD2-CE1 3.72Å; L188-Y392 HydrophobicContact CD2-CE2 3.55Å; L188-Y392 HydrophobicContact CD2-CG 3.68Å; L188-Y392 HydrophobicContact CG-CD1 4.29Å; L188-Y392 HydrophobicContact CG-CE1 4.47Å; L188-Y392 HydrophobicContact CG-CG 4.42Å; L188-V397 HydrophobicContact CB-CG1 4.21Å; L188-V397 HydrophobicContact CB-CG2 4.49Å; L188-V397 HydrophobicContact CD1-CG2 3.94Å; L188-Y422 HydrophobicContact CD1-CD2 3.96Å; L188-Y422 HydrophobicContact CD1-CG 3.77Å
189	A	98.4	Very high	92.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	167.9	-172.3	0	0	0	0	0	110.1	G100 H203 F204 V397 E401	G100-A189 WeakPolarHBondContact CA-O 2.97Å; G100-A189 PolarHBondContact N-O 2.96Å; A189-H203 CarbonylContact C-O 3.6Å; A189-H203 WeakPolarHBondContact CA-O 3.41Å; A189-H203 WeakPolarHBondContact CB-O 3.32Å; A189-F204 HydrophobicContact CB-CD1 3.79Å; A189-F204 HydrophobicContact CB-CE1 4.2Å; A189-F204 HydrophobicContact CB-CG 4.26Å; A189-V397 HydrophobicContact CB-CG1 3.55Å; A189-E401 HydrophobicContact CB-CG 3.57Å
190	H	98.1	Very high	93.1	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.023	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159	161.9	61	-132.1	0	0	0	110.7	H175 D177 Y179 F181 H203 E401	H175-H190 AromaticContact CE1-CE1 3.47Å; H175-H190 PolarHBondContact CE1-CE1 2.71Å; H175-H190 VanDerWaalsContact CE1-CE1 3.47Å; H175-H190 AromaticContact CE1-NE2 3.98Å; H175-H190 AromaticContact NE2-CE1 3.24Å; H175-H190 PolarHBondContact NE2-CE1 2.81Å; H175-H190 AromaticContact NE2-NE2 3.29Å; H175-H190 PolarHBondContact NE2-NE2 3.36Å; D177-H190 IonicContact OD2-CD2 2.86Å; D177-H190 IonicContact OD2-CE1 3.82Å; D177-H190 PolarHBondContact OD2-CE1 2.75Å; D177-H190 IonicContact OD2-NE2 3.18Å; D177-H190 PolarHBondContact OD2-NE2 2.94Å; Y179-H190 PolarHBondContact O-CE1 2.72Å; Y179-H190 VanDerWaalsContact O-CE1 3.26Å; F181-H190 AromaticContact CE1-ND1 3.88Å; H190-H203 AromaticContact CD2-ND1 3.84Å; H190-H203 PolarHBondContact N-O 2.97Å; H190-H203 AromaticContact NE2-CG 3.92Å; H190-H203 AromaticContact NE2-ND1 3.28Å; H190-H203 PolarHBondContact NE2-ND1 3.45Å; H190-H203 PolarHBondContact O-N 3.45Å; H190-E401 WeakPolarHBondContact CA-OE2 3.46Å
191	A	97.3	Very high	93.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.2	170.9	0	0	0	0	0	112	N101 D201 E401 H404	N101-A191 PolarHBondContact ND2-O 2.98Å; N101-A191 PolarHBondContact OD1-O 2.7Å; A191-D201 CarbonylContact C-O 3.55Å; A191-D201 WeakPolarHBondContact CA-O 3.25Å; A191-D201 WeakPolarHBondContact CB-O 3.45Å; A191-E401 HydrophobicContact CB-CB 3.92Å; A191-E401 VanDerWaalsContact CB-O 3.3Å; A191-E401 WeakPolarHBondContact CB-O 3.39Å; A191-E401 PolarHBondContact N-OE2 3.36Å; A191-H404 HydrophobicContact CB-CB 4Å
192	F	95.6	Very high	93.6	Very high	27 Å²	27	25.3 Å²	25.3	12%	0.118	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-86.6	144.1	175.8	-62.8	-79.4	0	0	0	110.9	D177 Y179 I198 G200 D201 H203	D177-F192 HydrophobicContact CB-CE2 4.28Å; D177-F192 HydrophobicContact CB-CZ 4.01Å; D177-F192 WeakPolarHBondContact OD2-CE2 3.42Å; D177-F192 WeakPolarHBondContact OD2-CZ 3.28Å; Y179-F192 AromaticContact CD2-CE1 3.96Å; Y179-F192 HydrophobicContact CD2-CE1 3.96Å; Y179-F192 AromaticContact CD2-CZ 3.84Å; Y179-F192 HydrophobicContact CD2-CZ 3.84Å; Y179-F192 AromaticContact CE2-CE1 3.81Å; Y179-F192 HydrophobicContact CE2-CE1 3.81Å; Y179-F192 HydrophobicContact CE2-CZ 4.11Å; F192-I198 VanDerWaalsContact CB-O 3.28Å; F192-I198 WeakPolarHBondContact CB-O 3.43Å; F192-I198 HydrophobicContact CD1-CD1 4.21Å; F192-I198 HydrophobicContact CD2-CB 4.35Å; F192-I198 HydrophobicContact CD2-CD1 4.37Å; F192-I198 WeakPolarHBondContact CD2-O 3.29Å; F192-I198 HydrophobicContact CE1-CD1 4.01Å; F192-I198 HydrophobicContact CE2-CD1 4.17Å; F192-I198 HydrophobicContact CG-CD1 4.4Å; F192-I198 HydrophobicContact CZ-CD1 3.99Å; F192-G200 WeakPolarHBondContact O-CA 3.47Å; F192-G200 PolarHBondContact O-N 3.27Å; F192-D201 HydrophobicContact CD2-CB 4.27Å; F192-D201 PolarHBondContact N-O 2.89Å; F192-H203 AromaticContact CE2-CE1 3.94Å
193	A	93.9	Very high	94.1	Very high	14 Å²	14	23.5 Å²	23.5	12%	0.116	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-60.1	159.7	172.4	0	0	0	0	0	112.4	P114 G195 G199 G200	P114-A193 HydrophobicContact CB-CB 3.76Å; P114-A193 HydrophobicContact CG-CB 4Å; A193-G195 PolarHBondContact O-N 3.07Å; A193-G199 CarbonylContact O-C 3.59Å; A193-G199 VanDerWaalsContact O-CA 3.27Å; A193-G199 WeakPolarHBondContact O-CA 3.01Å; A193-G200 PolarHBondContact O-N 3.38Å; A193-G200 VanDerWaalsContact O-N 3.11Å
194	P	95.4	Very high	94.7	Very high	20 Å²	20	23.3 Å²	23.3	13%	0.13	15%	0.153	C	C	.	.	S	Bend	trans	-48.5	129.7	178.6	-28.7	30.4	0	0	0	114	P114 W116 A405 G407	P114-P194 HydrophobicContact CB-CG 4.42Å; W116-P194 HydrophobicContact CD2-CB 3.77Å; W116-P194 HydrophobicContact CD2-CG 4.4Å; W116-P194 HydrophobicContact CE3-CB 4.2Å; W116-P194 HydrophobicContact CG-CB 4.09Å; W116-P194 HydrophobicContact CG-CG 4.33Å; W116-P194 HydrophobicContact CZ2-CB 4.1Å; P194-A405 WeakPolarHBondContact CG-O 3.33Å; P194-G407 VanDerWaalsContact CD-CA 3.42Å; P194-G407 VanDerWaalsContact CD-N 3.31Å
195	G	91.9	Very high	95.2	Very high	23 Å²	23	21.7 Å²	21.7	24%	0.237	15%	0.146	C	C	.	.			trans	177.9	176.5	179.3	0	0	0	0	0	113.6	W116 A193 G199	W116-G195 WeakPolarHBondContact CH2-O 3.43Å; A193-G195 PolarHBondContact O-N 3.07Å; G195-G199 VanDerWaalsContact O-O 3.06Å
196	P	90.3	Very high	95.4	Very high	128 Å²	128	21.8 Å²	21.8	83%	0.831	15%	0.146	S	C	*	.	S	Bend	trans	-75.1	156.2	173.6	32.1	-34.7	0	0	0	112.1	I198 G199	P196-I198 PolarHBondContact O-N 3.29Å; P196-G199 PolarHBondContact O-N 3.03Å
197	G	91.9	Very high	95.2	Very high	44 Å²	44	22.2 Å²	22.2	45%	0.454	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-120.4	179.6	0	0	0	0	0	110.5	G199	G197-G199 PolarHBondContact O-N 3.38Å; G197-G199 VanDerWaalsContact O-N 3.13Å
198	I	92.4	Very high	95.2	Very high	92 Å²	92	22.3 Å²	22.3	47%	0.472	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-3.4	-179.8	65.7	170.7	0	0	0	114.4	F192 P196 G200 D201	F192-I198 VanDerWaalsContact CB-O 3.28Å; F192-I198 WeakPolarHBondContact CB-O 3.43Å; F192-I198 HydrophobicContact CD1-CD1 4.21Å; F192-I198 HydrophobicContact CD2-CB 4.35Å; F192-I198 HydrophobicContact CD2-CD1 4.37Å; F192-I198 WeakPolarHBondContact CD2-O 3.29Å; F192-I198 HydrophobicContact CE1-CD1 4.01Å; F192-I198 HydrophobicContact CE2-CD1 4.17Å; F192-I198 HydrophobicContact CG-CD1 4.4Å; F192-I198 HydrophobicContact CZ-CD1 3.99Å; P196-I198 PolarHBondContact O-N 3.29Å; I198-G200 PolarHBondContact O-N 2.88Å; I198-D201 WeakPolarHBondContact CA-OD2 3.03Å; I198-D201 WeakPolarHBondContact O-CB 3.4Å; I198-D201 PolarHBondContact O-N 2.59Å; I198-D201 VanDerWaalsContact O-N 3.14Å
199	G	95.1	Very high	94.9	Very high	8 Å²	8	22.2 Å²	22.2	8%	0.082	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	121.8	-178.4	0	0	0	0	0	111.2	W116 A193 G195 P196 G197	W116-G199 WeakPolarHBondContact CH2-O 3.33Å; A193-G199 CarbonylContact O-C 3.59Å; A193-G199 VanDerWaalsContact O-CA 3.27Å; A193-G199 WeakPolarHBondContact O-CA 3.01Å; G195-G199 VanDerWaalsContact O-O 3.06Å; P196-G199 PolarHBondContact O-N 3.03Å; G197-G199 PolarHBondContact O-N 3.38Å; G197-G199 VanDerWaalsContact O-N 3.13Å
200	G	95.9	Very high	94.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-19.7	-172.1	0	0	0	0	0	114.1	I166 F192 A193 I198 S202 A405	I166-G200 WeakPolarHBondContact CG2-O 3.48Å; F192-G200 WeakPolarHBondContact O-CA 3.47Å; F192-G200 PolarHBondContact O-N 3.27Å; A193-G200 PolarHBondContact O-N 3.38Å; A193-G200 VanDerWaalsContact O-N 3.11Å; I198-G200 PolarHBondContact O-N 2.88Å; G200-S202 PolarHBondContact O-OG 2.8Å; G200-A405 VanDerWaalsContact O-CB 3.26Å; G200-A405 WeakPolarHBondContact O-CB 3.48Å
201	D	98.3	Very high	94.8	Very high	19 Å²	19	22 Å²	22	10%	0.102	14%	0.142	C	C	.	.			trans	-60.9	140.8	-177.6	-71.2	-5.1	0	0	0	111.2	M167 A191 F192 I198	M167-D201 HydrophobicContact CB-CB 4.48Å; M167-D201 WeakPolarHBondContact CB-OD1 3.38Å; M167-D201 WeakPolarHBondContact CG-OD1 3.36Å; M167-D201 PolarHBondContact N-OD1 2.69Å; M167-D201 WeakPolarHBondContact O-CA 3.47Å; A191-D201 CarbonylContact C-O 3.55Å; A191-D201 WeakPolarHBondContact CA-O 3.25Å; A191-D201 WeakPolarHBondContact CB-O 3.45Å; F192-D201 HydrophobicContact CD2-CB 4.27Å; F192-D201 PolarHBondContact N-O 2.89Å; I198-D201 WeakPolarHBondContact CA-OD2 3.03Å; I198-D201 WeakPolarHBondContact O-CB 3.4Å; I198-D201 PolarHBondContact O-N 2.59Å; I198-D201 VanDerWaalsContact O-N 3.14Å
202	S	98.5	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.2	-175.4	-56.1	0	0	0	0	109.8	M167 I168 N169 G200	M167-S202 PolarHBondContact O-N 3.14Å; I168-S202 WeakPolarHBondContact CA-O 3.49Å; N169-S202 PolarHBondContact N-O 2.8Å; N169-S202 VanDerWaalsContact N-O 3.08Å; G200-S202 PolarHBondContact O-OG 2.8Å
203	H	98.5	Very high	94.7	Very high	21 Å²	21	23.3 Å²	23.3	10%	0.097	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135	-176.1	-58.4	154.3	0	0	0	110.6	N169 H175 D177 F181 A189 H190 F192	N169-H203 WeakPolarHBondContact O-CA 3.46Å; H175-H203 AromaticContact CD2-CG 3.91Å; H175-H203 AromaticContact CD2-ND1 3.53Å; H175-H203 AromaticContact NE2-CG 3.84Å; H175-H203 AromaticContact NE2-ND1 3.4Å; H175-H203 PolarHBondContact NE2-ND1 2.95Å; D177-H203 IonicContact OD2-CE1 2.72Å; D177-H203 PolarHBondContact OD2-CE1 2.88Å; D177-H203 VanDerWaalsContact OD2-CE1 3.25Å; D177-H203 IonicContact OD2-ND1 3.69Å; D177-H203 PolarHBondContact OD2-ND1 2.84Å; F181-H203 HydrophobicContact CE2-CB 4.33Å; F181-H203 HydrophobicContact CZ-CB 4.04Å; A189-H203 CarbonylContact C-O 3.6Å; A189-H203 WeakPolarHBondContact CA-O 3.41Å; A189-H203 WeakPolarHBondContact CB-O 3.32Å; H190-H203 AromaticContact CD2-ND1 3.84Å; H190-H203 PolarHBondContact N-O 2.97Å; H190-H203 AromaticContact NE2-CG 3.92Å; H190-H203 AromaticContact NE2-ND1 3.28Å; H190-H203 PolarHBondContact NE2-ND1 3.45Å; H190-H203 PolarHBondContact O-N 3.45Å; F192-H203 AromaticContact CE2-CE1 3.94Å
204	F	98.6	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.1	-178.5	-62.7	-96.6	0	0	0	109.2	F141 I168 N169 F170 G171 A189 D206 W210 L394 V397 A398 E401	F141-F204 HydrophobicContact CE1-CD2 4.43Å; F141-F204 HydrophobicContact CE1-CE1 4.2Å; F141-F204 AromaticContact CE1-CE2 3.81Å; F141-F204 HydrophobicContact CE1-CE2 3.81Å; F141-F204 AromaticContact CE1-CZ 3.67Å; F141-F204 HydrophobicContact CE1-CZ 3.67Å; F141-F204 HydrophobicContact CZ-CD2 4.36Å; F141-F204 HydrophobicContact CZ-CE2 4.09Å; F141-F204 HydrophobicContact CZ-CZ 4.38Å; I168-F204 HydrophobicContact CG2-CD2 4.18Å; I168-F204 HydrophobicContact CG2-CE2 3.79Å; N169-F204 PolarHBondContact O-N 3.4Å; F170-F204 CarbonylContact C-O 3.58Å; F170-F204 VanDerWaalsContact CA-O 3.32Å; F170-F204 WeakPolarHBondContact CA-O 3.5Å; F170-F204 HydrophobicContact CD1-CB 3.57Å; F170-F204 HydrophobicContact CE1-CB 3.61Å; F170-F204 HydrophobicContact CE1-CG 4.2Å; F170-F204 HydrophobicContact CG-CB 4.2Å; F170-F204 HydrophobicContact CZ-CB 4.28Å; F170-F204 HydrophobicContact CZ-CG 4.44Å; G171-F204 PolarHBondContact N-O 2.94Å; A189-F204 HydrophobicContact CB-CD1 3.79Å; A189-F204 HydrophobicContact CB-CE1 4.2Å; A189-F204 HydrophobicContact CB-CG 4.26Å; F204-D206 PolarHBondContact O-N 2.74Å; F204-W210 HydrophobicContact CB-CH2 4.3Å; F204-W210 HydrophobicContact CB-CZ2 3.71Å; F204-W210 AromaticContact CD1-CH2 3.78Å; F204-W210 HydrophobicContact CD1-CH2 3.78Å; F204-W210 HydrophobicContact CD1-CZ2 4.06Å; F204-W210 HydrophobicContact CD1-CZ3 4.27Å; F204-W210 HydrophobicContact CG-CZ2 4.39Å; F204-L394 HydrophobicContact CD1-CD1 3.83Å; F204-L394 HydrophobicContact CE1-CD1 3.97Å; F204-L394 HydrophobicContact CG-CD1 4.41Å; F204-V397 HydrophobicContact CD1-CG1 4.17Å; F204-V397 HydrophobicContact CE1-CB 4.49Å; F204-V397 HydrophobicContact CE1-CG1 4.04Å; F204-A398 HydrophobicContact CE1-CB 3.83Å; F204-A398 HydrophobicContact CZ-CB 3.7Å; F204-E401 HydrophobicContact CE1-CG 4.27Å; F204-E401 HydrophobicContact CZ-CB 4.36Å; F204-E401 HydrophobicContact CZ-CG 4.34Å
205	D	96.7	Very high	94.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	117.4	-179.7	-168.6	-7.8	0	0	0	110.9	G171 F181 G183 L187 L188 D207 E208 W210	G171-D205 CarbonylContact O-C 3.58Å; G171-D205 WeakPolarHBondContact O-CA 3.39Å; F181-D205 HydrophobicContact CB-CB 4.23Å; F181-D205 VanDerWaalsContact CB-OD2 3.26Å; F181-D205 WeakPolarHBondContact CB-OD2 3.49Å; F181-D205 HydrophobicContact CD1-CB 3.94Å; F181-D205 HydrophobicContact CD2-CB 3.81Å; F181-D205 HydrophobicContact CE1-CB 4.26Å; F181-D205 HydrophobicContact CE2-CB 4.11Å; F181-D205 HydrophobicContact CG-CB 3.74Å; F181-D205 HydrophobicContact CZ-CB 4.34Å; G183-D205 PolarHBondContact N-OD2 2.83Å; G183-D205 VanDerWaalsContact O-OD2 3.11Å; L187-D205 WeakPolarHBondContact O-CB 3.26Å; L188-D205 PolarHBondContact O-N 2.85Å; D205-D207 VanDerWaalsContact C-N 3.27Å; D205-D207 PolarHBondContact O-N 3.01Å; D205-D207 PolarHBondContact OD1-N 2.89Å; D205-E208 HydrophobicContact CB-CG 3.94Å; D205-E208 WeakPolarHBondContact O-CB 3.34Å; D205-E208 PolarHBondContact O-N 2.96Å; D205-W210 PolarHBondContact O-NE1 2.89Å
206	D	92.5	Very high	94.5	Very high	28 Å²	28	26.2 Å²	26.2	15%	0.15	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.3	-178.7	-168.6	65.1	0	0	0	113.2	F170 G171 R172 F204 E208	F170-D206 HydrophobicContact CB-CB 4.05Å; G171-D206 PolarHBondContact O-N 3.33Å; R172-D206 HydrophobicContact CG-CB 3.67Å; R172-D206 IonicContact CZ-OD2 2.97Å; R172-D206 VanDerWaalsContact CZ-OD2 3.26Å; R172-D206 IonicContact NE-OD2 3.26Å; R172-D206 PolarHBondContact NE-OD2 3.37Å; R172-D206 PolarHBondContact NH2-O 3.4Å; R172-D206 IonicContact NH2-OD2 3.57Å; R172-D206 PolarHBondContact NH2-OD2 3.14Å; F204-D206 PolarHBondContact O-N 2.74Å; D206-E208 VanDerWaalsContact C-N 3.32Å
207	D	88.4	Confident	94.8	Very high	32 Å²	32	21 Å²	21	17%	0.171	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-4.4	167	-75.8	-32.7	0	0	0	112.8	R172 W173 D205	R172-D207 VanDerWaalsContact CD-OD1 3.3Å; R172-D207 WeakPolarHBondContact CD-OD1 3.42Å; R172-D207 IonicContact CZ-OD1 3.96Å; R172-D207 IonicContact NE-OD1 2.75Å; R172-D207 IonicContact NH1-OD1 3.49Å; R172-D207 PolarHBondContact NH1-OD1 3.15Å; W173-D207 PolarHBondContact NE1-OD2 2.76Å; D205-D207 VanDerWaalsContact C-N 3.27Å; D205-D207 PolarHBondContact O-N 3.01Å; D205-D207 PolarHBondContact OD1-N 2.89Å
208	E	92.5	Very high	95	Very high	3 Å²	3	19 Å²	19	1%	0.014	10%	0.101	C	C	.	.	S	Bend	trans	-82	157.3	173.1	-62.3	-66	-167.5	0	0	113.5	D131 D185 L188 D205 D206 W210 Y392	D131-E208 VanDerWaalsContact OD2-O 3.13Å; D185-E208 VanDerWaalsContact C-OE1 3.25Å; D185-E208 WeakPolarHBondContact CA-OE1 3.47Å; D185-E208 PolarHBondContact N-OE1 2.86Å; D185-E208 PolarHBondContact N-OE2 2.64Å; L188-E208 HydrophobicContact CD2-CG 4.18Å; L188-E208 VanDerWaalsContact CD2-OE1 3.23Å; L188-E208 WeakPolarHBondContact CD2-OE1 3.4Å; D205-E208 HydrophobicContact CB-CG 3.94Å; D205-E208 WeakPolarHBondContact O-CB 3.34Å; D205-E208 PolarHBondContact O-N 2.96Å; D206-E208 VanDerWaalsContact C-N 3.32Å; E208-W210 HydrophobicContact CB-CZ2 4.21Å; E208-W210 HydrophobicContact CG-CZ2 4.45Å; E208-W210 PolarHBondContact O-N 3.08Å; E208-Y392 HydrophobicContact CB-CD2 4.21Å; E208-Y392 HydrophobicContact CG-CD2 4.32Å; E208-Y392 HydrophobicContact CG-CE2 4.48Å; E208-Y392 WeakPolarHBondContact OE2-CE2 3.47Å
209	L	93.6	Very high	95.2	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.086	C	C	.	.			trans	-88.8	99.8	167.3	178.9	65.2	0	0	0	108.7	D131 T211 V337 P388 G391 Y392	D131-L209 HydrophobicContact CB-CD1 4.37Å; L209-T211 HydrophobicContact CD2-CG2 4.19Å; L209-T211 HydrophobicContact CG-CG2 3.84Å; L209-V337 HydrophobicContact CB-CG1 4.36Å; L209-V337 HydrophobicContact CB-CG2 4.27Å; L209-V337 HydrophobicContact CD1-CG2 4.04Å; L209-V337 HydrophobicContact CD2-CG2 4.15Å; L209-V337 HydrophobicContact CG-CG2 4.37Å; L209-P388 HydrophobicContact CD2-CB 3.97Å; L209-G391 CarbonylContact O-C 3.57Å; L209-G391 WeakPolarHBondContact O-CA 3.3Å; L209-Y392 PolarHBondContact O-N 3.31Å
210	W	97	Very high	95.3	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124	177.1	-67.6	99.9	0	0	0	111.3	T129 D131 L132 F170 L188 F204 D205 E208 L394 V397	T129-W210 HydrophobicContact CG2-CB 4.04Å; T129-W210 HydrophobicContact CG2-CG 4.32Å; D131-W210 HydrophobicContact CB-CB 4.16Å; D131-W210 WeakPolarHBondContact CB-O 3.27Å; D131-W210 PolarHBondContact OD2-N 3.45Å; L132-W210 HydrophobicContact CD1-CB 4.18Å; F170-W210 AromaticContact CD1-NE1 3.66Å; F170-W210 AromaticContact CE1-CD1 3.66Å; F170-W210 HydrophobicContact CE1-CD2 4.1Å; F170-W210 AromaticContact CE1-CE2 3.85Å; F170-W210 AromaticContact CE1-CG 3.98Å; F170-W210 HydrophobicContact CE1-CG 3.98Å; F170-W210 AromaticContact CE1-NE1 3.53Å; L188-W210 HydrophobicContact CB-CH2 4.3Å; L188-W210 WeakPolarHBondContact O-CH2 2.99Å; L188-W210 VanDerWaalsContact O-CZ2 3.3Å; L188-W210 WeakPolarHBondContact O-CZ2 3.48Å; F204-W210 HydrophobicContact CB-CH2 4.3Å; F204-W210 HydrophobicContact CB-CZ2 3.71Å; F204-W210 AromaticContact CD1-CH2 3.78Å; F204-W210 HydrophobicContact CD1-CH2 3.78Å; F204-W210 HydrophobicContact CD1-CZ2 4.06Å; F204-W210 HydrophobicContact CD1-CZ3 4.27Å; F204-W210 HydrophobicContact CG-CZ2 4.39Å; D205-W210 PolarHBondContact O-NE1 2.89Å; E208-W210 HydrophobicContact CB-CZ2 4.21Å; E208-W210 HydrophobicContact CG-CZ2 4.45Å; E208-W210 PolarHBondContact O-N 3.08Å; W210-L394 HydrophobicContact CD2-CD1 4.09Å; W210-L394 HydrophobicContact CE3-CB 3.98Å; W210-L394 HydrophobicContact CE3-CD1 3.74Å; W210-L394 HydrophobicContact CE3-CG 4.48Å; W210-L394 HydrophobicContact CZ3-CD1 4.1Å; W210-V397 HydrophobicContact CH2-CB 4.16Å; W210-V397 HydrophobicContact CH2-CG1 3.89Å; W210-V397 HydrophobicContact CH2-CG2 4.29Å; W210-V397 HydrophobicContact CZ3-CB 3.82Å; W210-V397 HydrophobicContact CZ3-CG1 4.09Å; W210-V397 HydrophobicContact CZ3-CG2 3.84Å
211	T	97.2	Very high	95.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	-171.5	-178.1	69.5	0	0	0	0	110.4	L209 G213 G215 Q390 Y392 S393 L394	L209-T211 HydrophobicContact CD2-CG2 4.19Å; L209-T211 HydrophobicContact CG-CG2 3.84Å; T211-G213 VanDerWaalsContact C-N 3.29Å; T211-G213 WeakPolarHBondContact OG1-CA 2.83Å; T211-G213 PolarHBondContact OG1-N 3.44Å; T211-G215 WeakPolarHBondContact CB-O 3.43Å; T211-G215 VanDerWaalsContact CG2-O 3.26Å; T211-G215 WeakPolarHBondContact CG2-O 3.44Å; T211-Q390 WeakPolarHBondContact CG2-O 3.24Å; T211-Q390 PolarHBondContact OG1-O 2.9Å; T211-Y392 PolarHBondContact N-O 2.77Å; T211-S393 VanDerWaalsContact O-CA 3.31Å; T211-S393 WeakPolarHBondContact O-CA 3.14Å; T211-L394 PolarHBondContact O-N 3.32Å
212	L	96.7	Very high	95.2	Very high	54 Å²	54	22.1 Å²	22.1	28%	0.283	11%	0.105	S	C	.	.	S	Bend	trans	-91.6	4.9	163.6	-63.3	177.3	0	0	0	112.2	T136 V217 S393	T136-L212 HydrophobicContact CG2-CD1 4.43Å; T136-L212 HydrophobicContact CG2-CD2 4.09Å; T136-L212 HydrophobicContact CG2-CG 4.48Å; L212-V217 HydrophobicContact CB-CG2 4.11Å; L212-V217 HydrophobicContact CD1-CG1 4.42Å; L212-V217 HydrophobicContact CD1-CG2 4.22Å; L212-V217 HydrophobicContact CG-CG2 3.97Å; L212-S393 PolarHBondContact O-OG 3.3Å; L212-S393 VanDerWaalsContact O-OG 3.05Å
213	G	94.1	Very high	95.1	Very high	2 Å²	2	24 Å²	24	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	104.4	-3.1	173.5	0	0	0	0	0	116	T211 Y424	T211-G213 VanDerWaalsContact C-N 3.29Å; T211-G213 WeakPolarHBondContact OG1-CA 2.83Å; T211-G213 PolarHBondContact OG1-N 3.44Å; G213-Y424 VanDerWaalsContact CA-CE2 3.45Å
214	E	91.8	Very high	95	Very high	91 Å²	91	27.7 Å²	27.7	43%	0.425	15%	0.145	S	C	.	.	S	Bend	trans	-118.8	34.9	179.5	-54.7	-171.1	168	0	0	112.3	Q390 Y424 K426	E214-Q390 VanDerWaalsContact CA-OE1 3.26Å; E214-Q390 PolarHBondContact O-OE1 3.03Å; E214-Y424 HydrophobicContact CG-CE1 3.75Å; E214-Y424 WeakPolarHBondContact CG-OH 3.27Å; E214-Y424 PolarHBondContact OE1-OH 3.32Å; E214-K426 WeakPolarHBondContact OE1-CD 3.3Å; E214-K426 WeakPolarHBondContact OE1-CE 3.46Å; E214-K426 WeakPolarHBondContact OE1-CG 3.18Å; E214-K426 IonicContact OE1-NZ 3.83Å; E214-K426 PolarHBondContact OE1-NZ 3.47Å; E214-K426 IonicContact OE2-NZ 2.8Å; E214-K426 PolarHBondContact OE2-NZ 3.03Å
215	G	92.1	Very high	95	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	15%	0.148	C	C	.	.	S	Bend	trans	92.9	179.6	-176.3	0	0	0	0	0	113.9	T211 V217 Q390	T211-G215 WeakPolarHBondContact CB-O 3.43Å; T211-G215 VanDerWaalsContact CG2-O 3.26Å; T211-G215 WeakPolarHBondContact CG2-O 3.44Å; G215-V217 PolarHBondContact O-N 2.9Å; G215-Q390 VanDerWaalsContact CA-O 3.3Å; G215-Q390 WeakPolarHBondContact CA-O 2.97Å; G215-Q390 PolarHBondContact N-O 2.87Å
216	Q	92.5	Very high	95	Very high	17 Å²	17	32.9 Å²	32.9	8%	0.079	17%	0.174	C	C	.	.			trans	-53.1	133.1	-173	-169.3	-178.9	29.2	0	0	112.1	V218 F232 M334	Q216-V218 HydrophobicContact CG-CG2 3.94Å; Q216-F232 WeakPolarHBondContact O-CD2 3.37Å; Q216-M334 PolarHBondContact NE2-O 3.43Å; Q216-M334 PolarHBondContact OE1-O 3.31Å
217	V	95.9	Very high	95.1	Very high	18 Å²	18	32.8 Å²	32.8	11%	0.109	18%	0.179	C	C	.	.			trans	-109.2	130.4	174.4	-179.9	0	0	0	0	107	L132 L212 G215 Y229	L132-V217 HydrophobicContact CD2-CB 3.69Å; L132-V217 HydrophobicContact CD2-CG1 4.14Å; L132-V217 HydrophobicContact CD2-CG2 4.37Å; L212-V217 HydrophobicContact CB-CG2 4.11Å; L212-V217 HydrophobicContact CD1-CG1 4.42Å; L212-V217 HydrophobicContact CD1-CG2 4.22Å; L212-V217 HydrophobicContact CG-CG2 3.97Å; G215-V217 PolarHBondContact O-N 2.9Å; V217-Y229 HydrophobicContact CG1-CD1 3.45Å; V217-Y229 VanDerWaalsContact CG1-CD1 3.45Å; V217-Y229 HydrophobicContact CG1-CE1 3.74Å; V217-Y229 HydrophobicContact CG1-CG 4.12Å
218	V	96.6	Very high	95.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.196	C	C	.	.			trans	-135.5	122.3	177.8	177.1	0	0	0	0	108.4	Q216 Y229 C230 F232 C271 E331 A333	Q216-V218 HydrophobicContact CG-CG2 3.94Å; V218-Y229 CarbonylContact O-C 3.45Å; V218-Y229 WeakPolarHBondContact O-CA 3.25Å; V218-C230 HydrophobicContact CB-CB 4.16Å; V218-C230 VanDerWaalsContact CB-SG 3.58Å; V218-C230 PolarHBondContact O-N 3.14Å; V218-F232 HydrophobicContact CB-CE2 4.48Å; V218-F232 HydrophobicContact CG2-CE2 4.15Å; V218-C271 HydrophobicContact CG1-CB 4.02Å; V218-E331 VanDerWaalsContact CA-OE1 3.26Å; V218-E331 WeakPolarHBondContact CA-OE1 3.49Å; V218-A333 HydrophobicContact CG1-CB 3.96Å; V218-A333 HydrophobicContact CG2-CB 4.11Å
219	R	97.3	Very high	95.8	Very high	42 Å²	42	41 Å²	41	16%	0.158	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-90.2	113.6	178.1	-164.4	169.9	178.6	-166.4	0	111	D133 E135 G227 Y229 P272 E331	D133-R219 HydrophobicContact CB-CB 4.27Å; D133-R219 VanDerWaalsContact CG-CD 3.45Å; D133-R219 VanDerWaalsContact OD1-CD 3.25Å; D133-R219 WeakPolarHBondContact OD1-CD 3.45Å; D133-R219 WeakPolarHBondContact OD2-CD 3.44Å; D133-R219 IonicContact OD2-CZ 3.16Å; D133-R219 IonicContact OD2-NH1 2.68Å; D133-R219 PolarHBondContact OD2-NH1 2.92Å; E135-R219 IonicContact OE1-NH1 3.63Å; E135-R219 IonicContact OE2-CZ 2.97Å; E135-R219 IonicContact OE2-NH1 2.71Å; E135-R219 PolarHBondContact OE2-NH1 3.23Å; E135-R219 IonicContact OE2-NH2 2.84Å; E135-R219 PolarHBondContact OE2-NH2 3.31Å; R219-G227 PolarHBondContact NE-O 3.03Å; R219-Y229 HydrophobicContact CB-CD1 3.92Å; R219-Y229 HydrophobicContact CB-CE1 3.84Å; R219-Y229 HydrophobicContact CG-CD1 4.17Å; R219-Y229 HydrophobicContact CG-CE1 3.97Å; R219-P272 WeakPolarHBondContact O-CD 3.47Å; R219-P272 WeakPolarHBondContact O-CG 3.37Å; R219-E331 PolarHBondContact N-OE1 3.39Å; R219-E331 PolarHBondContact N-OE2 3.36Å
220	V	97.1	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.			trans	-70.1	146.2	-171.1	-49.7	0	0	0	0	111.9	A225 G227 E228 C256 T258	V220-A225 WeakPolarHBondContact CG2-O 3.4Å; V220-G227 PolarHBondContact O-N 3.38Å; V220-E228 HydrophobicContact CG2-CB 4.44Å; V220-E228 WeakPolarHBondContact CG2-O 3.25Å; V220-E228 PolarHBondContact N-O 3.05Å; V220-C256 WeakPolarHBondContact CG1-SG 3.39Å; V220-T258 HydrophobicContact CG1-CG2 4.02Å; V220-T258 HydrophobicContact CG2-CG2 3.96Å
221	K	96.1	Very high	96	Very high	26 Å²	26	46.5 Å²	46.5	11%	0.113	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-114.8	141.9	175.8	-56.1	-60.6	176.1	-165.8	0	110.7	D226 F270 P272 F277 M279	K221-D226 VanDerWaalsContact CA-OD1 3.28Å; K221-D226 WeakPolarHBondContact CA-OD1 3.46Å; K221-F270 PolarHBondContact N-O 2.86Å; K221-F270 WeakPolarHBondContact O-CA 3.3Å; K221-F270 WeakPolarHBondContact O-CB 3.35Å; K221-F270 PolarHBondContact O-N 3.09Å; K221-P272 HydrophobicContact CG-CG 3.75Å; K221-F277 HydrophobicContact CB-CE2 4.05Å; K221-F277 HydrophobicContact CB-CZ 3.91Å; K221-F277 HydrophobicContact CG-CE2 4.12Å; K221-F277 HydrophobicContact CG-CZ 4.09Å; K221-M279 HydrophobicContact CD-CE 3.93Å; K221-M279 HydrophobicContact CD-SD 4.41Å; K221-M279 HydrophobicContact CG-CE 4.49Å; K221-M279 HydrophobicContact CG-SD 4.35Å
222	Y	95.6	Very high	95.7	Very high	118 Å²	118	48.2 Å²	48.2	46%	0.463	25%	0.246	S	C	.	.	S	Bend	trans	53.8	-158.5	-176.7	-42.2	-77.7	0	0	0	112.1	D226 F277	Y222-D226 PolarHBondContact N-OD1 2.89Å; Y222-D226 WeakPolarHBondContact O-CA 3.42Å; Y222-D226 PolarHBondContact O-N 3.02Å; Y222-F277 HydrophobicContact CE2-CD2 4.04Å; Y222-F277 AromaticContact CE2-CE2 3.89Å; Y222-F277 HydrophobicContact CE2-CE2 3.89Å; Y222-F277 HydrophobicContact CE2-CZ 4.43Å
223	G	95.7	Very high	95.5	Very high	39 Å²	39	47.9 Å²	47.9	40%	0.402	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	-160.5	-174.3	0	0	0	0	0	112.2
224	N	97.4	Very high	95.5	Very high	99 Å²	99	47.9 Å²	47.9	53%	0.529	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	6.8	-179.6	64.8	4.6	0	0	0	113.1	G266 K267 Y268	N224-G266 PolarHBondContact ND2-O 2.61Å; N224-K267 WeakPolarHBondContact OD1-CA 3.31Å; N224-Y268 PolarHBondContact N-O 2.8Å; N224-Y268 PolarHBondContact OD1-N 3.35Å; N224-Y268 PolarHBondContact OD1-O 3.46Å; N224-Y268 VanDerWaalsContact OD1-O 3.1Å
225	A	97.6	Very high	95.5	Very high	9 Å²	9	47.2 Å²	47.2	7%	0.074	24%	0.24	C	C	.	.	S	Bend	trans	-139.8	32	-179.9	0	0	0	0	0	112.4	V220 G227 E228 T258 K267 Y268	V220-A225 WeakPolarHBondContact CG2-O 3.4Å; A225-G227 PolarHBondContact O-N 2.81Å; A225-E228 HydrophobicContact CB-CB 4.44Å; A225-E228 HydrophobicContact CB-CG 4.18Å; A225-E228 VanDerWaalsContact O-CB 3.32Å; A225-E228 WeakPolarHBondContact O-CB 3.42Å; A225-E228 WeakPolarHBondContact O-CG 3.48Å; A225-E228 PolarHBondContact O-N 3.21Å; A225-E228 VanDerWaalsContact O-N 3.16Å; A225-T258 HydrophobicContact CB-CG2 3.68Å; A225-T258 WeakPolarHBondContact CB-OG1 3.32Å; A225-K267 HydrophobicContact CB-CB 4.36Å; A225-Y268 PolarHBondContact N-O 2.94Å
226	D	97.4	Very high	95.6	Very high	100 Å²	100	47.6 Å²	47.6	54%	0.535	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	131.7	177	-178.2	70	0	0	0	111.8	K221 Y222	K221-D226 VanDerWaalsContact CA-OD1 3.28Å; K221-D226 WeakPolarHBondContact CA-OD1 3.46Å; Y222-D226 PolarHBondContact N-OD1 2.89Å; Y222-D226 WeakPolarHBondContact O-CA 3.42Å; Y222-D226 PolarHBondContact O-N 3.02Å
227	G	94.7	Very high	95.7	Very high	25 Å²	25	52.4 Å²	52.4	26%	0.258	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-12.3	179.5	0	0	0	0	0	115.7	R219 V220 A225	R219-G227 PolarHBondContact NE-O 3.03Å; V220-G227 PolarHBondContact O-N 3.38Å; A225-G227 PolarHBondContact O-N 2.81Å
228	E	97.9	Very high	95.4	Very high	116 Å²	116	54 Å²	54	54%	0.542	29%	0.285	S	S	.	.	S	Bend	trans	-77.8	167.5	171.6	-61.6	-70	164.2	0	0	111.7	V220 A225 T258	V220-E228 HydrophobicContact CG2-CB 4.44Å; V220-E228 WeakPolarHBondContact CG2-O 3.25Å; V220-E228 PolarHBondContact N-O 3.05Å; A225-E228 HydrophobicContact CB-CB 4.44Å; A225-E228 HydrophobicContact CB-CG 4.18Å; A225-E228 VanDerWaalsContact O-CB 3.32Å; A225-E228 WeakPolarHBondContact O-CB 3.42Å; A225-E228 WeakPolarHBondContact O-CG 3.48Å; A225-E228 PolarHBondContact O-N 3.21Å; A225-E228 VanDerWaalsContact O-N 3.16Å; E228-T258 HydrophobicContact CB-CG2 3.79Å
229	Y	98.1	Very high	94.9	Very high	92 Å²	92	59 Å²	59	36%	0.361	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-92.7	147.5	171.8	-60.3	-69.8	0	0	0	112	T136 V217 V218 R219 K231	T136-Y229 PolarHBondContact OG1-OH 2.81Å; V217-Y229 HydrophobicContact CG1-CD1 3.45Å; V217-Y229 VanDerWaalsContact CG1-CD1 3.45Å; V217-Y229 HydrophobicContact CG1-CE1 3.74Å; V217-Y229 HydrophobicContact CG1-CG 4.12Å; V218-Y229 CarbonylContact O-C 3.45Å; V218-Y229 WeakPolarHBondContact O-CA 3.25Å; R219-Y229 HydrophobicContact CB-CD1 3.92Å; R219-Y229 HydrophobicContact CB-CE1 3.84Å; R219-Y229 HydrophobicContact CG-CD1 4.17Å; R219-Y229 HydrophobicContact CG-CE1 3.97Å; Y229-K231 PolarHBondContact O-N 2.89Å
230	C	97.1	Very high	94.5	Very high	12 Å²	12	60.4 Å²	60.4	8%	0.081	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-54.8	136.6	165.2	-67.6	0	0	0	0	110.4	V218 F232 C256	V218-C230 HydrophobicContact CB-CB 4.16Å; V218-C230 VanDerWaalsContact CB-SG 3.58Å; V218-C230 PolarHBondContact O-N 3.14Å; C230-F232 HydrophobicContact CB-CD2 4.07Å; C230-F232 HydrophobicContact CB-CE1 4.02Å; C230-F232 HydrophobicContact CB-CE2 3.43Å; C230-F232 VanDerWaalsContact CB-CE2 3.43Å; C230-F232 HydrophobicContact CB-CZ 3.39Å; C230-C256 WeakPolarHBondContact CA-SG 3.44Å; C230-C256 HydrophobicContact CB-CB 3.73Å; C230-C256 WeakPolarHBondContact CB-SG 3.34Å; C230-C256 WeakPolarHBondContact SG-CB 3.38Å; C230-C256 CovalentContact SG-SG 2Å; C230-C256 PolarHBondContact SG-SG 2.95Å
231	K	96.3	Very high	94	Very high	105 Å²	105	62 Å²	62	46%	0.457	32%	0.321	S	S	.	.			trans	-98.1	92.8	175.4	-175.1	56.1	175.4	172.9	0	109.9	Y229 P233 F234 S257	Y229-K231 PolarHBondContact O-N 2.89Å; K231-P233 CarbonylContact O-C 3.58Å; K231-F234 VanDerWaalsContact O-CB 3.29Å; K231-F234 WeakPolarHBondContact O-CB 3.4Å; K231-F234 PolarHBondContact O-N 3.27Å; K231-F234 VanDerWaalsContact O-N 3.14Å; K231-S257 PolarHBondContact N-O 2.88Å
232	F	92.4	Very high	93.6	Very high	37 Å²	37	65.6 Å²	65.6	16%	0.162	34%	0.342	C	S	.	.	S	Bend	trans	-91.5	140.5	172.6	-57.5	-55.7	0	0	0	111.8	Q216 V218 C230 F234 N242 S243 C256	Q216-F232 WeakPolarHBondContact O-CD2 3.37Å; V218-F232 HydrophobicContact CB-CE2 4.48Å; V218-F232 HydrophobicContact CG2-CE2 4.15Å; C230-F232 HydrophobicContact CB-CD2 4.07Å; C230-F232 HydrophobicContact CB-CE1 4.02Å; C230-F232 HydrophobicContact CB-CE2 3.43Å; C230-F232 VanDerWaalsContact CB-CE2 3.43Å; C230-F232 HydrophobicContact CB-CZ 3.39Å; F232-F234 AromaticContact CD1-CD1 3.99Å; F232-F234 HydrophobicContact CD1-CD1 3.99Å; F232-F234 HydrophobicContact CD1-CE1 4.22Å; F232-F234 HydrophobicContact CE1-CD1 4.06Å; F232-F234 AromaticContact CE1-CE1 3.88Å; F232-F234 HydrophobicContact CE1-CE1 3.88Å; F232-N242 VanDerWaalsContact CD1-C 3.43Å; F232-S243 WeakPolarHBondContact CE1-O 3.38Å; F232-C256 HydrophobicContact CE1-CB 4.05Å; F232-C256 HydrophobicContact CZ-CB 4.14Å
233	P	91.5	Very high	93.2	Very high	47 Å²	47	61.5 Å²	61.5	31%	0.305	33%	0.331	S	S	.	.	S	Bend	cis	-65.9	148.8	-20.9	23.4	-28.9	0	0	0	113	K231 E240 Y241 N242	K231-P233 CarbonylContact O-C 3.58Å; P233-E240 HydrophobicContact CB-CG 3.39Å; P233-E240 WeakPolarHBondContact CB-OE1 3.26Å; P233-E240 HydrophobicContact CG-CG 4.34Å; P233-E240 WeakPolarHBondContact CG-OE1 3.5Å; P233-Y241 VanDerWaalsContact CA-O 3.25Å; P233-Y241 WeakPolarHBondContact CA-O 3.21Å; P233-N242 WeakPolarHBondContact CB-OD1 3.46Å
234	F	93.6	Very high	93	Very high	1 Å²	1	60 Å²	60	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	153.9	164.7	71.5	-85.4	0	0	0	112.1	K231 F232 F236 E240 Y241 T245 W255 C256 T259 K260	K231-F234 VanDerWaalsContact O-CB 3.29Å; K231-F234 WeakPolarHBondContact O-CB 3.4Å; K231-F234 PolarHBondContact O-N 3.27Å; K231-F234 VanDerWaalsContact O-N 3.14Å; F232-F234 AromaticContact CD1-CD1 3.99Å; F232-F234 HydrophobicContact CD1-CD1 3.99Å; F232-F234 HydrophobicContact CD1-CE1 4.22Å; F232-F234 HydrophobicContact CE1-CD1 4.06Å; F232-F234 AromaticContact CE1-CE1 3.88Å; F232-F234 HydrophobicContact CE1-CE1 3.88Å; F234-F236 HydrophobicContact CD2-CB 4.21Å; F234-F236 HydrophobicContact CE2-CB 3.92Å; F234-E240 WeakPolarHBondContact O-CA 3.38Å; F234-Y241 HydrophobicContact CE1-CG 4.43Å; F234-Y241 HydrophobicContact CE2-CD2 4.08Å; F234-Y241 HydrophobicContact CE2-CG 4.32Å; F234-Y241 HydrophobicContact CZ-CD2 4.24Å; F234-Y241 HydrophobicContact CZ-CG 4.01Å; F234-Y241 PolarHBondContact N-O 3.19Å; F234-Y241 PolarHBondContact O-N 2.67Å; F234-T245 HydrophobicContact CZ-CG2 4.1Å; F234-W255 AromaticContact CE2-CH2 3.89Å; F234-W255 HydrophobicContact CE2-CH2 3.89Å; F234-W255 HydrophobicContact CE2-CZ3 4Å; F234-W255 HydrophobicContact CZ-CH2 4.5Å; F234-W255 HydrophobicContact CZ-CZ3 4.42Å; F234-C256 HydrophobicContact CD1-CB 4.43Å; F234-C256 HydrophobicContact CE1-CB 3.82Å; F234-C256 HydrophobicContact CZ-CB 4.36Å; F234-T259 WeakPolarHBondContact CB-O 3.32Å; F234-K260 CarbonylContact C-O 3.59Å; F234-K260 WeakPolarHBondContact CA-O 3.09Å
235	W	92.2	Very high	92.6	Very high	77 Å²	77	56.1 Å²	56.1	29%	0.292	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.2	178.1	-169.8	-97.6	0	0	0	111.1	G238 E240 K260 F262	W235-G238 VanDerWaalsContact CH2-O 3.27Å; W235-G238 WeakPolarHBondContact CH2-O 3.37Å; W235-G238 WeakPolarHBondContact CZ2-O 3.49Å; W235-E240 HydrophobicContact CE3-CB 4.04Å; W235-E240 HydrophobicContact CZ3-CB 4.2Å; W235-K260 PolarHBondContact N-O 2.84Å; W235-F262 VanDerWaalsContact O-CB 3.26Å; W235-F262 WeakPolarHBondContact O-CB 3.3Å; W235-F262 PolarHBondContact O-N 3.44Å
236	F	95.1	Very high	92.2	Very high	19 Å²	19	59.5 Å²	59.5	8%	0.083	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	129	174.5	170.6	-122	0	0	0	110.2	F234 G238 K239 Y241 A247 W255 F262	F234-F236 HydrophobicContact CD2-CB 4.21Å; F234-F236 HydrophobicContact CE2-CB 3.92Å; F236-G238 PolarHBondContact O-N 3.21Å; F236-G238 VanDerWaalsContact O-N 3.14Å; F236-K239 PolarHBondContact N-O 3.45Å; F236-K239 PolarHBondContact O-N 3.27Å; F236-K239 VanDerWaalsContact O-O 3.1Å; F236-Y241 HydrophobicContact CB-CD2 4.2Å; F236-Y241 HydrophobicContact CB-CE2 4Å; F236-Y241 AromaticContact CD1-CE2 3.99Å; F236-Y241 HydrophobicContact CD1-CE2 3.99Å; F236-Y241 HydrophobicContact CG-CE2 4.5Å; F236-A247 HydrophobicContact CD1-CB 4.48Å; F236-A247 HydrophobicContact CE1-CB 4.23Å; F236-W255 HydrophobicContact CB-CH2 4.29Å; F236-W255 HydrophobicContact CD1-CH2 4.09Å; F236-W255 AromaticContact CD1-CZ2 3.68Å; F236-W255 HydrophobicContact CD1-CZ2 3.68Å; F236-W255 AromaticContact CD2-CH2 3.98Å; F236-W255 HydrophobicContact CD2-CH2 3.98Å; F236-W255 HydrophobicContact CD2-CZ2 4.21Å; F236-W255 HydrophobicContact CE1-CH2 4.37Å; F236-W255 AromaticContact CE1-CZ2 3.66Å; F236-W255 HydrophobicContact CE1-CZ2 3.66Å; F236-W255 HydrophobicContact CE2-CH2 4.24Å; F236-W255 HydrophobicContact CE2-CZ2 4.17Å; F236-W255 AromaticContact CG-CH2 3.86Å; F236-W255 HydrophobicContact CG-CH2 3.86Å; F236-W255 AromaticContact CG-CZ2 3.94Å; F236-W255 HydrophobicContact CG-CZ2 3.94Å; F236-W255 HydrophobicContact CZ-CH2 4.41Å; F236-W255 AromaticContact CZ-CZ2 3.88Å; F236-W255 HydrophobicContact CZ-CZ2 3.88Å; F236-F262 HydrophobicContact CB-CB 4.49Å; F236-F262 AromaticContact CD2-CD1 3.43Å; F236-F262 HydrophobicContact CD2-CD1 3.43Å; F236-F262 VanDerWaalsContact CD2-CD1 3.43Å; F236-F262 AromaticContact CD2-CE1 3.87Å; F236-F262 HydrophobicContact CD2-CE1 3.87Å; F236-F262 HydrophobicContact CD2-CG 4.33Å; F236-F262 AromaticContact CE2-CD1 3.87Å; F236-F262 HydrophobicContact CE2-CD1 3.87Å; F236-F262 AromaticContact CE2-CE1 3.79Å; F236-F262 HydrophobicContact CE2-CE1 3.79Å; F236-F262 HydrophobicContact CG-CD1 4.39Å
237	N	93.2	Very high	91.8	Very high	117 Å²	117	55.7 Å²	55.7	63%	0.626	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.5	174.3	-84.1	-24.4	0	0	0	114.3	K239 D263	N237-K239 VanDerWaalsContact C-N 3.3Å; N237-K239 PolarHBondContact O-N 3.04Å; N237-D263 PolarHBondContact N-OD1 3.19Å; N237-D263 PolarHBondContact N-OD2 3.07Å
238	G	89.5	Confident	91.6	Very high	52 Å²	52	58.1 Å²	58.1	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	7	177.8	0	0	0	0	0	115.2	W235 F236	W235-G238 VanDerWaalsContact CH2-O 3.27Å; W235-G238 WeakPolarHBondContact CH2-O 3.37Å; W235-G238 WeakPolarHBondContact CZ2-O 3.49Å; F236-G238 PolarHBondContact O-N 3.21Å; F236-G238 VanDerWaalsContact O-N 3.14Å
239	K	88.1	Confident	91.2	Very high	106 Å²	106	56.7 Å²	56.7	46%	0.461	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.9	178.8	-173.9	173.6	177.5	-178.4	0	111	F236 N237 Y241	F236-K239 PolarHBondContact N-O 3.45Å; F236-K239 PolarHBondContact O-N 3.27Å; F236-K239 VanDerWaalsContact O-O 3.1Å; N237-K239 VanDerWaalsContact C-N 3.3Å; N237-K239 PolarHBondContact O-N 3.04Å; K239-Y241 HydrophobicContact CB-CE2 3.89Å; K239-Y241 HydrophobicContact CD-CE1 4.43Å; K239-Y241 HydrophobicContact CD-CE2 4.33Å; K239-Y241 HydrophobicContact CG-CE2 4.04Å
240	E	87.2	Confident	90.9	Very high	71 Å²	71	58.5 Å²	58.5	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.2	175.2	-169.6	167.9	-123.4	0	0	110.5	P233 F234 W235 R553	P233-E240 HydrophobicContact CB-CG 3.39Å; P233-E240 WeakPolarHBondContact CB-OE1 3.26Å; P233-E240 HydrophobicContact CG-CG 4.34Å; P233-E240 WeakPolarHBondContact CG-OE1 3.5Å; F234-E240 WeakPolarHBondContact O-CA 3.38Å; W235-E240 HydrophobicContact CE3-CB 4.04Å; W235-E240 HydrophobicContact CZ3-CB 4.2Å; E240-R553 IonicContact OE1-NH1 3.44Å
241	Y	87.1	Confident	90.5	Very high	34 Å²	34	61.7 Å²	61.7	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.6	-178.9	-67.4	-93.4	0	0	0	109.8	P233 F234 F236 K239 T245 A247	P233-Y241 VanDerWaalsContact CA-O 3.25Å; P233-Y241 WeakPolarHBondContact CA-O 3.21Å; F234-Y241 HydrophobicContact CE1-CG 4.43Å; F234-Y241 HydrophobicContact CE2-CD2 4.08Å; F234-Y241 HydrophobicContact CE2-CG 4.32Å; F234-Y241 HydrophobicContact CZ-CD2 4.24Å; F234-Y241 HydrophobicContact CZ-CG 4.01Å; F234-Y241 PolarHBondContact N-O 3.19Å; F234-Y241 PolarHBondContact O-N 2.67Å; F236-Y241 HydrophobicContact CB-CD2 4.2Å; F236-Y241 HydrophobicContact CB-CE2 4Å; F236-Y241 AromaticContact CD1-CE2 3.99Å; F236-Y241 HydrophobicContact CD1-CE2 3.99Å; F236-Y241 HydrophobicContact CG-CE2 4.5Å; K239-Y241 HydrophobicContact CB-CE2 3.89Å; K239-Y241 HydrophobicContact CD-CE1 4.43Å; K239-Y241 HydrophobicContact CD-CE2 4.33Å; K239-Y241 HydrophobicContact CG-CE2 4.04Å; Y241-T245 HydrophobicContact CD1-CG2 3.61Å; Y241-T245 HydrophobicContact CE1-CG2 3.68Å; Y241-T245 WeakPolarHBondContact CE1-OG1 3.32Å; Y241-T245 HydrophobicContact CG-CG2 4.15Å; Y241-A247 HydrophobicContact CE1-CB 4Å; Y241-A247 WeakPolarHBondContact OH-CB 3.08Å
242	N	87.3	Confident	90	Very high	102 Å²	102	58.1 Å²	58.1	55%	0.545	34%	0.343	S	S	.	.	S	Bend	trans	-106.1	5.1	179.7	-67	-76.2	0	0	0	112.8	F232 P233	F232-N242 VanDerWaalsContact CD1-C 3.43Å; P233-N242 WeakPolarHBondContact CB-OD1 3.46Å
243	S	88.4	Confident	89.9	Confident	32 Å²	32	59.4 Å²	59.4	22%	0.224	35%	0.349	C	S	.	.	S	Bend	trans	-151.7	171.5	176	66.6	0	0	0	0	108.4	F232	F232-S243 WeakPolarHBondContact CE1-O 3.38Å
244	C	91.1	Very high	89.9	Confident	7 Å²	7	58 Å²	58	5%	0.047	34%	0.339	C	S	.	.			trans	-60.1	150	173.6	-63.5	0	0	0	0	111.9	L254 C271	C244-L254 HydrophobicContact CB-CB 4.12Å; C244-C271 HydrophobicContact CB-CB 3.6Å; C244-C271 WeakPolarHBondContact CB-SG 2.94Å; C244-C271 WeakPolarHBondContact SG-CB 3.2Å; C244-C271 CovalentContact SG-SG 2.02Å; C244-C271 PolarHBondContact SG-SG 3.29Å
245	T	88.8	Confident	90	Very high	17 Å²	17	58.5 Å²	58.5	10%	0.104	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-142.6	153	-177	-172.1	0	0	0	0	111.1	F234 Y241 A247 W255	F234-T245 HydrophobicContact CZ-CG2 4.1Å; Y241-T245 HydrophobicContact CD1-CG2 3.61Å; Y241-T245 HydrophobicContact CE1-CG2 3.68Å; Y241-T245 WeakPolarHBondContact CE1-OG1 3.32Å; Y241-T245 HydrophobicContact CG-CG2 4.15Å; T245-A247 VanDerWaalsContact C-N 3.34Å; T245-A247 HydrophobicContact CG2-CB 3.95Å; T245-A247 VanDerWaalsContact OG1-CB 3.3Å; T245-A247 WeakPolarHBondContact OG1-CB 3.29Å; T245-A247 PolarHBondContact OG1-N 2.85Å; T245-A247 VanDerWaalsContact OG1-N 3.1Å; T245-W255 PolarHBondContact N-O 2.89Å; T245-W255 PolarHBondContact O-N 2.74Å
246	D	89.3	Confident	90.2	Very high	80 Å²	80	54.8 Å²	54.8	43%	0.428	33%	0.327	S	S	.	.			trans	-92.5	3.4	167.3	64.8	-15	0	0	0	112.2	G248 R249 L254	D246-G248 PolarHBondContact O-N 3.23Å; D246-R249 WeakPolarHBondContact O-CA 3.36Å; D246-R249 VanDerWaalsContact O-CB 3.31Å; D246-R249 WeakPolarHBondContact O-CB 3.3Å; D246-R249 PolarHBondContact O-N 2.97Å; D246-L254 HydrophobicContact CB-CD2 4.33Å
247	A	88.7	Confident	90.4	Very high	20 Å²	20	53.9 Å²	53.9	17%	0.165	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	132.8	-176.3	0	0	0	0	0	111.8	F236 Y241 T245 R249 W255	F236-A247 HydrophobicContact CD1-CB 4.48Å; F236-A247 HydrophobicContact CE1-CB 4.23Å; Y241-A247 HydrophobicContact CE1-CB 4Å; Y241-A247 WeakPolarHBondContact OH-CB 3.08Å; T245-A247 VanDerWaalsContact C-N 3.34Å; T245-A247 HydrophobicContact CG2-CB 3.95Å; T245-A247 VanDerWaalsContact OG1-CB 3.3Å; T245-A247 WeakPolarHBondContact OG1-CB 3.29Å; T245-A247 PolarHBondContact OG1-N 2.85Å; T245-A247 VanDerWaalsContact OG1-N 3.1Å; A247-R249 VanDerWaalsContact C-N 3.25Å; A247-R249 PolarHBondContact O-N 3.32Å; A247-W255 PolarHBondContact O-NE1 3.4Å
248	G	90.1	Very high	90.6	Very high	77 Å²	77	49.4 Å²	49.4	79%	0.794	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	0.4	-176.2	0	0	0	0	0	114.6	D246	D246-G248 PolarHBondContact O-N 3.23Å
249	R	91.1	Very high	90.9	Very high	86 Å²	86	48.2 Å²	48.2	33%	0.325	28%	0.282	S	S	.	.			trans	-112.5	155.3	174.5	-55.5	-165.7	64.7	86.6	1.5	111.8	D246 A247 D251 F253 F270	D246-R249 WeakPolarHBondContact O-CA 3.36Å; D246-R249 VanDerWaalsContact O-CB 3.31Å; D246-R249 WeakPolarHBondContact O-CB 3.3Å; D246-R249 PolarHBondContact O-N 2.97Å; A247-R249 VanDerWaalsContact C-N 3.25Å; A247-R249 PolarHBondContact O-N 3.32Å; R249-D251 WeakPolarHBondContact CB-OD1 3.41Å; R249-D251 IonicContact CZ-OD1 3.23Å; R249-D251 IonicContact CZ-OD2 3.56Å; R249-D251 IonicContact NE-OD1 2.66Å; R249-D251 PolarHBondContact NE-OD1 2.89Å; R249-D251 IonicContact NE-OD2 3.91Å; R249-D251 IonicContact NH2-OD1 3.52Å; R249-D251 PolarHBondContact NH2-OD1 3.45Å; R249-D251 IonicContact NH2-OD2 3.73Å; R249-D251 PolarHBondContact NH2-OD2 3.02Å; R249-F253 WeakPolarHBondContact CD-O 3.48Å; R249-F270 VanDerWaalsContact CZ-CE1 3.45Å
250	S	90.8	Very high	91.1	Very high	129 Å²	129	48.3 Å²	48.3	90%	0.902	28%	0.282	S	S	*	.	S	Bend	trans	-112.8	-8.2	177.6	60.2	0	0	0	0	113.6
251	D	89.3	Confident	91.5	Very high	79 Å²	79	48 Å²	48	42%	0.422	28%	0.283	S	S	.	.	S	Bend	trans	-95	-0.4	-178.7	55.3	8.3	0	0	0	113.2	R249 F253	R249-D251 WeakPolarHBondContact CB-OD1 3.41Å; R249-D251 IonicContact CZ-OD1 3.23Å; R249-D251 IonicContact CZ-OD2 3.56Å; R249-D251 IonicContact NE-OD1 2.66Å; R249-D251 PolarHBondContact NE-OD1 2.89Å; R249-D251 IonicContact NE-OD2 3.91Å; R249-D251 IonicContact NH2-OD1 3.52Å; R249-D251 PolarHBondContact NH2-OD1 3.45Å; R249-D251 IonicContact NH2-OD2 3.73Å; R249-D251 PolarHBondContact NH2-OD2 3.02Å; D251-F253 HydrophobicContact CB-CD2 4.11Å; D251-F253 PolarHBondContact O-N 3.4Å; D251-F253 PolarHBondContact OD1-N 3.08Å
252	G	84.6	Confident	91.9	Very high	31 Å²	31	48.4 Å²	48.4	32%	0.32	29%	0.286	S	S	.	.			trans	73.7	4.5	177.5	0	0	0	0	0	114.8
253	F	90.4	Very high	92.2	Very high	63 Å²	63	47.5 Å²	47.5	28%	0.276	28%	0.28	S	S	.	.			trans	-69.7	133.2	177.1	-86.5	-100.4	0	0	0	111.1	R249 D251 F270 L276 F277	R249-F253 WeakPolarHBondContact CD-O 3.48Å; D251-F253 HydrophobicContact CB-CD2 4.11Å; D251-F253 PolarHBondContact O-N 3.4Å; D251-F253 PolarHBondContact OD1-N 3.08Å; F253-F270 HydrophobicContact CB-CD1 3.87Å; F253-F270 HydrophobicContact CB-CE1 3.92Å; F253-F270 HydrophobicContact CD1-CD1 4.22Å; F253-F270 HydrophobicContact CG-CD1 4.42Å; F253-F270 HydrophobicContact CG-CE1 4.49Å; F253-L276 HydrophobicContact CD1-CB 4.27Å; F253-L276 HydrophobicContact CE1-CB 4.12Å; F253-F277 HydrophobicContact CD1-CD1 4.27Å; F253-F277 HydrophobicContact CE1-CB 4.37Å; F253-F277 AromaticContact CE1-CD1 3.84Å; F253-F277 HydrophobicContact CE1-CD1 3.84Å; F253-F277 HydrophobicContact CE1-CG 4.49Å
254	L	92.4	Very high	92.4	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.099	30%	0.299	C	S	.	.			trans	-77.4	136.6	174.9	-63.3	177.8	0	0	0	110.3	C244 D246 F270 C271 L276	C244-L254 HydrophobicContact CB-CB 4.12Å; D246-L254 HydrophobicContact CB-CD2 4.33Å; L254-F270 CarbonylContact O-C 3.59Å; L254-F270 WeakPolarHBondContact O-CA 3.32Å; L254-C271 HydrophobicContact CB-CB 3.98Å; L254-C271 PolarHBondContact O-N 3.49Å; L254-L276 HydrophobicContact CB-CD1 3.96Å; L254-L276 HydrophobicContact CD1-CD1 4.15Å; L254-L276 HydrophobicContact CG-CD1 3.74Å
255	W	96	Very high	92.7	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.038	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	165.3	176.3	75.2	-82	0	0	0	111	F234 F236 T245 A247 F262 Y268 G269 F270	F234-W255 AromaticContact CE2-CH2 3.89Å; F234-W255 HydrophobicContact CE2-CH2 3.89Å; F234-W255 HydrophobicContact CE2-CZ3 4Å; F234-W255 HydrophobicContact CZ-CH2 4.5Å; F234-W255 HydrophobicContact CZ-CZ3 4.42Å; F236-W255 HydrophobicContact CB-CH2 4.29Å; F236-W255 HydrophobicContact CD1-CH2 4.09Å; F236-W255 AromaticContact CD1-CZ2 3.68Å; F236-W255 HydrophobicContact CD1-CZ2 3.68Å; F236-W255 AromaticContact CD2-CH2 3.98Å; F236-W255 HydrophobicContact CD2-CH2 3.98Å; F236-W255 HydrophobicContact CD2-CZ2 4.21Å; F236-W255 HydrophobicContact CE1-CH2 4.37Å; F236-W255 AromaticContact CE1-CZ2 3.66Å; F236-W255 HydrophobicContact CE1-CZ2 3.66Å; F236-W255 HydrophobicContact CE2-CH2 4.24Å; F236-W255 HydrophobicContact CE2-CZ2 4.17Å; F236-W255 AromaticContact CG-CH2 3.86Å; F236-W255 HydrophobicContact CG-CH2 3.86Å; F236-W255 AromaticContact CG-CZ2 3.94Å; F236-W255 HydrophobicContact CG-CZ2 3.94Å; F236-W255 HydrophobicContact CZ-CH2 4.41Å; F236-W255 AromaticContact CZ-CZ2 3.88Å; F236-W255 HydrophobicContact CZ-CZ2 3.88Å; T245-W255 PolarHBondContact N-O 2.89Å; T245-W255 PolarHBondContact O-N 2.74Å; A247-W255 PolarHBondContact O-NE1 3.4Å; W255-F262 HydrophobicContact CH2-CD1 4.01Å; W255-F262 HydrophobicContact CH2-CD2 4.02Å; W255-F262 HydrophobicContact CH2-CE1 4.07Å; W255-F262 HydrophobicContact CH2-CE2 4.12Å; W255-F262 AromaticContact CH2-CG 3.95Å; W255-F262 HydrophobicContact CH2-CG 3.95Å; W255-F262 HydrophobicContact CH2-CZ 4.12Å; W255-F262 HydrophobicContact CZ3-CD1 4.49Å; W255-F262 AromaticContact CZ3-CD2 3.67Å; W255-F262 HydrophobicContact CZ3-CD2 3.67Å; W255-F262 AromaticContact CZ3-CE2 3.75Å; W255-F262 HydrophobicContact CZ3-CE2 3.75Å; W255-F262 HydrophobicContact CZ3-CG 4.05Å; W255-F262 HydrophobicContact CZ3-CZ 4.16Å; W255-Y268 HydrophobicContact CE3-CD2 4.25Å; W255-Y268 HydrophobicContact CE3-CG 4.33Å; W255-G269 WeakPolarHBondContact CA-O 3.15Å; W255-G269 WeakPolarHBondContact CB-O 3.44Å; W255-F270 HydrophobicContact CB-CD1 4.35Å
256	C	96.9	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.8	172.6	69.8	0	0	0	0	110.1	V220 C230 F232 F234 Y268 G269	V220-C256 WeakPolarHBondContact CG1-SG 3.39Å; C230-C256 WeakPolarHBondContact CA-SG 3.44Å; C230-C256 HydrophobicContact CB-CB 3.73Å; C230-C256 WeakPolarHBondContact CB-SG 3.34Å; C230-C256 WeakPolarHBondContact SG-CB 3.38Å; C230-C256 CovalentContact SG-SG 2Å; C230-C256 PolarHBondContact SG-SG 2.95Å; F232-C256 HydrophobicContact CE1-CB 4.05Å; F232-C256 HydrophobicContact CZ-CB 4.14Å; F234-C256 HydrophobicContact CD1-CB 4.43Å; F234-C256 HydrophobicContact CE1-CB 3.82Å; F234-C256 HydrophobicContact CZ-CB 4.36Å; C256-Y268 WeakPolarHBondContact O-CA 3.46Å; C256-Y268 VanDerWaalsContact O-CB 3.27Å; C256-Y268 WeakPolarHBondContact O-CB 3.43Å; C256-G269 PolarHBondContact N-O 2.97Å; C256-G269 PolarHBondContact O-N 3.05Å
257	S	97.8	Very high	93.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	146.3	167.7	-170.5	0	0	0	0	111.1	K231 T259 K267	K231-S257 PolarHBondContact N-O 2.88Å; S257-T259 VanDerWaalsContact C-N 3.27Å; S257-T259 WeakPolarHBondContact CB-O 3.26Å; S257-T259 PolarHBondContact OG-N 2.62Å; S257-T259 PolarHBondContact OG-O 3.5Å; S257-T259 VanDerWaalsContact OG-O 3.09Å; S257-T259 PolarHBondContact OG-OG1 2.63Å; S257-K267 VanDerWaalsContact CA-O 3.31Å; S257-K267 WeakPolarHBondContact CA-O 3.21Å; S257-K267 PolarHBondContact OG-O 3.27Å
258	T	97.5	Very high	93.9	Very high	23 Å²	23	57.6 Å²	57.6	14%	0.141	34%	0.335	C	S	.	.	S	Bend	trans	-92.6	6	172.3	63	0	0	0	0	111.9	V220 A225 E228 K267	V220-T258 HydrophobicContact CG1-CG2 4.02Å; V220-T258 HydrophobicContact CG2-CG2 3.96Å; A225-T258 HydrophobicContact CB-CG2 3.68Å; A225-T258 WeakPolarHBondContact CB-OG1 3.32Å; E228-T258 HydrophobicContact CB-CG2 3.79Å; T258-K267 PolarHBondContact N-O 3.13Å; T258-K267 VanDerWaalsContact N-O 3.15Å; T258-K267 VanDerWaalsContact OG1-CB 3.24Å; T258-K267 WeakPolarHBondContact OG1-CB 3.38Å
259	T	96.1	Very high	94.2	Very high	27 Å²	27	53.9 Å²	53.9	17%	0.166	30%	0.298	C	S	.	.	S	Bend	trans	-133.1	163.5	179	46.4	0	0	0	0	110.1	F234 S257 D265 K267	F234-T259 WeakPolarHBondContact CB-O 3.32Å; S257-T259 VanDerWaalsContact C-N 3.27Å; S257-T259 WeakPolarHBondContact CB-O 3.26Å; S257-T259 PolarHBondContact OG-N 2.62Å; S257-T259 PolarHBondContact OG-O 3.5Å; S257-T259 VanDerWaalsContact OG-O 3.09Å; S257-T259 PolarHBondContact OG-OG1 2.63Å; T259-D265 WeakPolarHBondContact CB-OD2 3.19Å; T259-D265 HydrophobicContact CG2-CB 3.98Å; T259-D265 VanDerWaalsContact OG1-CB 3.31Å; T259-D265 WeakPolarHBondContact OG1-CB 3.46Å; T259-D265 PolarHBondContact OG1-OD2 2.89Å; T259-K267 HydrophobicContact CG2-CB 4.27Å; T259-K267 HydrophobicContact CG2-CD 4.14Å
260	K	93.2	Very high	94.5	Very high	108 Å²	108	51.2 Å²	51.2	47%	0.47	29%	0.288	S	S	.	.	S	Bend	trans	-70.6	-35.6	-176.5	-175.2	172.9	-177.1	168.9	0	113.1	F234 W235	F234-K260 CarbonylContact C-O 3.59Å; F234-K260 WeakPolarHBondContact CA-O 3.09Å; W235-K260 PolarHBondContact N-O 2.84Å
261	D	93.9	Very high	94.8	Very high	64 Å²	64	45 Å²	45	34%	0.342	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-120.8	96.2	-177.7	-168.8	-18.5	0	0	0	109.6	D263 A264 D265	D261-D263 VanDerWaalsContact C-N 3.27Å; D261-D263 PolarHBondContact O-N 2.91Å; D261-D263 PolarHBondContact OD1-N 3Å; D261-D263 VanDerWaalsContact OD1-N 3.17Å; D261-A264 HydrophobicContact CB-CB 4.1Å; D261-A264 PolarHBondContact O-N 3.04Å; D261-A264 PolarHBondContact OD1-N 3.06Å; D261-D265 WeakPolarHBondContact O-CB 3.26Å; D261-D265 PolarHBondContact O-N 2.83Å
262	F	96	Very high	95	Very high	43 Å²	43	41.4 Å²	41.4	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-36	-179.7	177.1	-96.1	0	0	0	111.8	W235 F236 W255 A264 D265 G266 Y268	W235-F262 VanDerWaalsContact O-CB 3.26Å; W235-F262 WeakPolarHBondContact O-CB 3.3Å; W235-F262 PolarHBondContact O-N 3.44Å; F236-F262 HydrophobicContact CB-CB 4.49Å; F236-F262 AromaticContact CD2-CD1 3.43Å; F236-F262 HydrophobicContact CD2-CD1 3.43Å; F236-F262 VanDerWaalsContact CD2-CD1 3.43Å; F236-F262 AromaticContact CD2-CE1 3.87Å; F236-F262 HydrophobicContact CD2-CE1 3.87Å; F236-F262 HydrophobicContact CD2-CG 4.33Å; F236-F262 AromaticContact CE2-CD1 3.87Å; F236-F262 HydrophobicContact CE2-CD1 3.87Å; F236-F262 AromaticContact CE2-CE1 3.79Å; F236-F262 HydrophobicContact CE2-CE1 3.79Å; F236-F262 HydrophobicContact CG-CD1 4.39Å; W255-F262 HydrophobicContact CH2-CD1 4.01Å; W255-F262 HydrophobicContact CH2-CD2 4.02Å; W255-F262 HydrophobicContact CH2-CE1 4.07Å; W255-F262 HydrophobicContact CH2-CE2 4.12Å; W255-F262 AromaticContact CH2-CG 3.95Å; W255-F262 HydrophobicContact CH2-CG 3.95Å; W255-F262 HydrophobicContact CH2-CZ 4.12Å; W255-F262 HydrophobicContact CZ3-CD1 4.49Å; W255-F262 AromaticContact CZ3-CD2 3.67Å; W255-F262 HydrophobicContact CZ3-CD2 3.67Å; W255-F262 AromaticContact CZ3-CE2 3.75Å; W255-F262 HydrophobicContact CZ3-CE2 3.75Å; W255-F262 HydrophobicContact CZ3-CG 4.05Å; W255-F262 HydrophobicContact CZ3-CZ 4.16Å; F262-A264 PolarHBondContact O-N 2.88Å; F262-D265 PolarHBondContact O-N 2.91Å; F262-G266 WeakPolarHBondContact O-CA 3.35Å; F262-G266 PolarHBondContact O-N 3.42Å; F262-Y268 HydrophobicContact CE2-CD1 4.03Å; F262-Y268 HydrophobicContact CE2-CG 4.16Å
263	D	93.3	Very high	95.4	Very high	82 Å²	82	41.4 Å²	41.4	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-66.1	-25	-176.9	-60	-33.5	0	0	0	111.1	N237 D261	N237-D263 PolarHBondContact N-OD1 3.19Å; N237-D263 PolarHBondContact N-OD2 3.07Å; D261-D263 VanDerWaalsContact C-N 3.27Å; D261-D263 PolarHBondContact O-N 2.91Å; D261-D263 PolarHBondContact OD1-N 3Å; D261-D263 VanDerWaalsContact OD1-N 3.17Å
264	A	94.1	Very high	95.4	Very high	74 Å²	74	39.6 Å²	39.6	61%	0.612	21%	0.21	S	C	*	.	H	α-helix	trans	-90.3	-46.7	173.8	0	0	0	0	0	113.7	D261 F262	D261-A264 HydrophobicContact CB-CB 4.1Å; D261-A264 PolarHBondContact O-N 3.04Å; D261-A264 PolarHBondContact OD1-N 3.06Å; F262-A264 PolarHBondContact O-N 2.88Å
265	D	96.1	Very high	95.3	Very high	91 Å²	91	42 Å²	42	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-96.4	-29.3	-166.5	-65.9	-34.4	0	0	0	113.7	T259 D261 F262 K267	T259-D265 WeakPolarHBondContact CB-OD2 3.19Å; T259-D265 HydrophobicContact CG2-CB 3.98Å; T259-D265 VanDerWaalsContact OG1-CB 3.31Å; T259-D265 WeakPolarHBondContact OG1-CB 3.46Å; T259-D265 PolarHBondContact OG1-OD2 2.89Å; D261-D265 WeakPolarHBondContact O-CB 3.26Å; D261-D265 PolarHBondContact O-N 2.83Å; F262-D265 PolarHBondContact O-N 2.91Å; D265-K267 PolarHBondContact O-N 3.4Å; D265-K267 VanDerWaalsContact O-N 3.16Å
266	G	95.9	Very high	95.1	Very high	28 Å²	28	43.2 Å²	43.2	29%	0.289	24%	0.235	S	C	.	.			trans	64.4	13.7	177.5	0	0	0	0	0	116.2	N224 F262	N224-G266 PolarHBondContact ND2-O 2.61Å; F262-G266 WeakPolarHBondContact O-CA 3.35Å; F262-G266 PolarHBondContact O-N 3.42Å
267	K	97.9	Very high	94.9	Very high	112 Å²	112	43.9 Å²	43.9	49%	0.487	24%	0.238	S	C	.	.			trans	-88.7	128.9	178.2	-64.9	-169.8	178.1	-175.3	0	112	N224 A225 S257 T258 T259 D265	N224-K267 WeakPolarHBondContact OD1-CA 3.31Å; A225-K267 HydrophobicContact CB-CB 4.36Å; S257-K267 VanDerWaalsContact CA-O 3.31Å; S257-K267 WeakPolarHBondContact CA-O 3.21Å; S257-K267 PolarHBondContact OG-O 3.27Å; T258-K267 PolarHBondContact N-O 3.13Å; T258-K267 VanDerWaalsContact N-O 3.15Å; T258-K267 VanDerWaalsContact OG1-CB 3.24Å; T258-K267 WeakPolarHBondContact OG1-CB 3.38Å; T259-K267 HydrophobicContact CG2-CB 4.27Å; T259-K267 HydrophobicContact CG2-CD 4.14Å; D265-K267 PolarHBondContact O-N 3.4Å; D265-K267 VanDerWaalsContact O-N 3.16Å
268	Y	98.2	Very high	94.9	Very high	63 Å²	63	44 Å²	44	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	165.4	-178.6	79	-74.7	0	0	0	112.9	N224 A225 W255 C256 F262 F270	N224-Y268 PolarHBondContact N-O 2.8Å; N224-Y268 PolarHBondContact OD1-N 3.35Å; N224-Y268 PolarHBondContact OD1-O 3.46Å; N224-Y268 VanDerWaalsContact OD1-O 3.1Å; A225-Y268 PolarHBondContact N-O 2.94Å; W255-Y268 HydrophobicContact CE3-CD2 4.25Å; W255-Y268 HydrophobicContact CE3-CG 4.33Å; C256-Y268 WeakPolarHBondContact O-CA 3.46Å; C256-Y268 VanDerWaalsContact O-CB 3.27Å; C256-Y268 WeakPolarHBondContact O-CB 3.43Å; F262-Y268 HydrophobicContact CE2-CD1 4.03Å; F262-Y268 HydrophobicContact CE2-CG 4.16Å; Y268-F270 HydrophobicContact CE2-CE2 4.21Å; Y268-F270 HydrophobicContact CE2-CZ 4.26Å
269	G	97.8	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	177.8	163	0	0	0	0	0	111	W255 C256	W255-G269 WeakPolarHBondContact CA-O 3.15Å; W255-G269 WeakPolarHBondContact CB-O 3.44Å; C256-G269 PolarHBondContact N-O 2.97Å; C256-G269 PolarHBondContact O-N 3.05Å
270	F	96.9	Very high	94.7	Very high	29 Å²	29	46.7 Å²	46.7	13%	0.127	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.3	-179.1	-63.8	-84.9	0	0	0	110.8	K221 R249 F253 L254 W255 Y268 F277	K221-F270 PolarHBondContact N-O 2.86Å; K221-F270 WeakPolarHBondContact O-CA 3.3Å; K221-F270 WeakPolarHBondContact O-CB 3.35Å; K221-F270 PolarHBondContact O-N 3.09Å; R249-F270 VanDerWaalsContact CZ-CE1 3.45Å; F253-F270 HydrophobicContact CB-CD1 3.87Å; F253-F270 HydrophobicContact CB-CE1 3.92Å; F253-F270 HydrophobicContact CD1-CD1 4.22Å; F253-F270 HydrophobicContact CG-CD1 4.42Å; F253-F270 HydrophobicContact CG-CE1 4.49Å; L254-F270 CarbonylContact O-C 3.59Å; L254-F270 WeakPolarHBondContact O-CA 3.32Å; W255-F270 HydrophobicContact CB-CD1 4.35Å; Y268-F270 HydrophobicContact CE2-CE2 4.21Å; Y268-F270 HydrophobicContact CE2-CZ 4.26Å; F270-F277 HydrophobicContact CB-CE1 4.46Å
271	C	95.7	Very high	94.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-82.8	129.7	179.4	-60.5	0	0	0	0	110.3	V218 C244 L254 H273 F277 A333	V218-C271 HydrophobicContact CG1-CB 4.02Å; C244-C271 HydrophobicContact CB-CB 3.6Å; C244-C271 WeakPolarHBondContact CB-SG 2.94Å; C244-C271 WeakPolarHBondContact SG-CB 3.2Å; C244-C271 CovalentContact SG-SG 2.02Å; C244-C271 PolarHBondContact SG-SG 3.29Å; L254-C271 HydrophobicContact CB-CB 3.98Å; L254-C271 PolarHBondContact O-N 3.49Å; C271-H273 PolarHBondContact O-N 3.28Å; C271-F277 WeakPolarHBondContact O-CE1 2.98Å; C271-A333 HydrophobicContact CB-CB 3.61Å
272	P	94.8	Very high	94.9	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.019	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-56.7	129.4	176.4	-29.1	39	0	0	0	112.6	R219 K221 F277 E331 A333	R219-P272 WeakPolarHBondContact O-CD 3.47Å; R219-P272 WeakPolarHBondContact O-CG 3.37Å; K221-P272 HydrophobicContact CG-CG 3.75Å; P272-F277 HydrophobicContact CB-CZ 4.43Å; P272-E331 HydrophobicContact CB-CB 4.06Å; P272-E331 HydrophobicContact CB-CG 4.49Å; P272-E331 VanDerWaalsContact CB-O 3.26Å; P272-E331 WeakPolarHBondContact CB-O 3.23Å; P272-E331 HydrophobicContact CG-CB 4.29Å; P272-E331 WeakPolarHBondContact CG-OE2 3.44Å; P272-A333 VanDerWaalsContact O-CB 3.26Å; P272-A333 WeakPolarHBondContact O-CB 3.46Å; P272-A333 PolarHBondContact O-N 2.8Å
273	H	92.3	Very high	94.7	Very high	30 Å²	30	41.3 Å²	41.3	14%	0.139	25%	0.251	C	S	.	.			trans	-158.8	127.1	169.8	-165.7	-61.6	0	0	0	108.7	C271 S275 L276 F277	C271-H273 PolarHBondContact O-N 3.28Å; H273-S275 VanDerWaalsContact C-N 3.28Å; H273-S275 PolarHBondContact CE1-OG 3.4Å; H273-S275 VanDerWaalsContact CE1-OG 3.29Å; H273-S275 WeakPolarHBondContact ND1-CB 3.34Å; H273-S275 PolarHBondContact ND1-N 3.24Å; H273-S275 PolarHBondContact ND1-OG 3.26Å; H273-S275 PolarHBondContact O-N 2.86Å; H273-L276 HydrophobicContact CB-CB 4.41Å; H273-L276 HydrophobicContact CB-CD1 4.03Å; H273-L276 HydrophobicContact CB-CG 4.15Å; H273-L276 WeakPolarHBondContact O-CA 3.36Å; H273-L276 WeakPolarHBondContact O-CB 3.39Å; H273-L276 PolarHBondContact O-N 3.05Å; H273-F277 PolarHBondContact O-N 3.04Å; H273-F277 VanDerWaalsContact O-O 3.07Å
274	E	91.1	Very high	94.7	Very high	26 Å²	26	43.5 Å²	43.5	12%	0.121	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.8	-172.8	55.9	-98.6	-129.4	0	0	114.1	L276 P287 C288 F290 C329 T332	E274-L276 PolarHBondContact O-N 3.07Å; E274-P287 CarbonylContact O-C 3.55Å; E274-P287 WeakPolarHBondContact O-CA 3.35Å; E274-C288 HydrophobicContact CB-CB 4.3Å; E274-C288 VanDerWaalsContact CB-SG 3.55Å; E274-C288 PolarHBondContact O-N 3.25Å; E274-F290 HydrophobicContact CG-CE2 3.81Å; E274-F290 HydrophobicContact CG-CZ 4.02Å; E274-C329 HydrophobicContact CB-CB 4.29Å; E274-T332 PolarHBondContact OE1-OG1 3.29Å; E274-T332 WeakPolarHBondContact OE2-CB 3.48Å; E274-T332 VanDerWaalsContact OE2-CG2 3.26Å; E274-T332 WeakPolarHBondContact OE2-CG2 3.22Å; E274-T332 PolarHBondContact OE2-OG1 3.17Å
275	S	89.8	Confident	94.7	Very high	68 Å²	68	41.1 Å²	41.1	48%	0.476	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.3	171.9	-49.2	0	0	0	0	114.7	H273 P287	H273-S275 VanDerWaalsContact C-N 3.28Å; H273-S275 PolarHBondContact CE1-OG 3.4Å; H273-S275 VanDerWaalsContact CE1-OG 3.29Å; H273-S275 WeakPolarHBondContact ND1-CB 3.34Å; H273-S275 PolarHBondContact ND1-N 3.24Å; H273-S275 PolarHBondContact ND1-OG 3.26Å; H273-S275 PolarHBondContact O-N 2.86Å; S275-P287 WeakPolarHBondContact O-CB 3.34Å
276	L	91.1	Very high	94.7	Very high	37 Å²	37	42.2 Å²	42.2	19%	0.194	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-48.8	179.3	-62.4	179.3	0	0	0	111.6	F253 L254 H273 E274	F253-L276 HydrophobicContact CD1-CB 4.27Å; F253-L276 HydrophobicContact CE1-CB 4.12Å; L254-L276 HydrophobicContact CB-CD1 3.96Å; L254-L276 HydrophobicContact CD1-CD1 4.15Å; L254-L276 HydrophobicContact CG-CD1 3.74Å; H273-L276 HydrophobicContact CB-CB 4.41Å; H273-L276 HydrophobicContact CB-CD1 4.03Å; H273-L276 HydrophobicContact CB-CG 4.15Å; H273-L276 WeakPolarHBondContact O-CA 3.36Å; H273-L276 WeakPolarHBondContact O-CB 3.39Å; H273-L276 PolarHBondContact O-N 3.05Å; E274-L276 PolarHBondContact O-N 3.07Å
277	F	94.6	Very high	94.7	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.057	25%	0.248	C	C	.	.			trans	-158.3	162.6	177.8	66.7	-83.6	0	0	0	111.5	K221 Y222 F253 F270 C271 P272 H273 M279 G285	K221-F277 HydrophobicContact CB-CE2 4.05Å; K221-F277 HydrophobicContact CB-CZ 3.91Å; K221-F277 HydrophobicContact CG-CE2 4.12Å; K221-F277 HydrophobicContact CG-CZ 4.09Å; Y222-F277 HydrophobicContact CE2-CD2 4.04Å; Y222-F277 AromaticContact CE2-CE2 3.89Å; Y222-F277 HydrophobicContact CE2-CE2 3.89Å; Y222-F277 HydrophobicContact CE2-CZ 4.43Å; F253-F277 HydrophobicContact CD1-CD1 4.27Å; F253-F277 HydrophobicContact CE1-CB 4.37Å; F253-F277 AromaticContact CE1-CD1 3.84Å; F253-F277 HydrophobicContact CE1-CD1 3.84Å; F253-F277 HydrophobicContact CE1-CG 4.49Å; F270-F277 HydrophobicContact CB-CE1 4.46Å; C271-F277 WeakPolarHBondContact O-CE1 2.98Å; P272-F277 HydrophobicContact CB-CZ 4.43Å; H273-F277 PolarHBondContact O-N 3.04Å; H273-F277 VanDerWaalsContact O-O 3.07Å; F277-M279 HydrophobicContact CD2-SD 4.12Å; F277-M279 HydrophobicContact CE2-CG 4.43Å; F277-M279 HydrophobicContact CE2-SD 3.77Å; F277-G285 WeakPolarHBondContact CA-O 3.13Å; F277-G285 WeakPolarHBondContact CB-O 3.49Å
278	T	96.3	Very high	94.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	23%	0.229	C	C	.	.			trans	-118.4	164.6	173.4	56.7	0	0	0	0	111.4	G285 Q286 C288 T316	T278-G285 PolarHBondContact N-O 3Å; T278-G285 WeakPolarHBondContact O-CA 2.99Å; T278-Q286 WeakPolarHBondContact CB-O 3.35Å; T278-Q286 VanDerWaalsContact CG2-O 3.26Å; T278-Q286 WeakPolarHBondContact CG2-O 3.45Å; T278-Q286 PolarHBondContact N-O 2.85Å; T278-Q286 PolarHBondContact OG1-O 2.84Å; T278-C288 WeakPolarHBondContact CG2-SG 3.26Å; T278-T316 HydrophobicContact CG2-CG2 4.24Å
279	M	94.9	Very high	94.6	Very high	52 Å²	52	39.3 Å²	39.3	26%	0.256	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-108.7	141.3	178.6	-64.5	-62.6	-71.9	0	0	111.3	K221 F277 F328 P330	K221-M279 HydrophobicContact CD-CE 3.93Å; K221-M279 HydrophobicContact CD-SD 4.41Å; K221-M279 HydrophobicContact CG-CE 4.49Å; K221-M279 HydrophobicContact CG-SD 4.35Å; F277-M279 HydrophobicContact CD2-SD 4.12Å; F277-M279 HydrophobicContact CE2-CG 4.43Å; F277-M279 HydrophobicContact CE2-SD 3.77Å; M279-F328 PolarHBondContact N-O 3.22Å; M279-F328 WeakPolarHBondContact O-CB 3.48Å; M279-F328 WeakPolarHBondContact O-CD2 3.18Å; M279-F328 PolarHBondContact O-N 2.96Å; M279-P330 HydrophobicContact CB-CG 4.11Å; M279-P330 HydrophobicContact CG-CG 3.76Å
280	G	94.6	Very high	94.3	Very high	55 Å²	55	41.9 Å²	41.9	57%	0.567	25%	0.246	S	C	*	.	S	Bend	trans	57.1	-142	176.6	0	0	0	0	0	113.6
281	G	94.6	Very high	94.2	Very high	37 Å²	37	43.2 Å²	43.2	38%	0.381	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	-150.4	-177	0	0	0	0	0	112.7
282	N	96.6	Very high	94.3	Very high	63 Å²	63	43.2 Å²	43.2	34%	0.337	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	11.8	176.5	68.5	0.3	0	0	0	112.4	D284 K324 K325 Y326	N282-D284 VanDerWaalsContact C-N 3.27Å; N282-K324 PolarHBondContact ND2-O 3.1Å; N282-K324 PolarHBondContact OD1-O 3.47Å; N282-K325 WeakPolarHBondContact O-CD 3.45Å; N282-K325 WeakPolarHBondContact O-CE 3.13Å; N282-K325 PolarHBondContact O-NZ 2.81Å; N282-K325 WeakPolarHBondContact OD1-CA 3.47Å; N282-Y326 HydrophobicContact CB-CE1 4.44Å; N282-Y326 PolarHBondContact N-O 3.26Å; N282-Y326 WeakPolarHBondContact OD1-CD1 3.35Å; N282-Y326 PolarHBondContact OD1-N 3.47Å; N282-Y326 PolarHBondContact OD1-O 3.17Å
283	G	92.7	Very high	94.4	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.1	175.9	0	0	0	0	0	113.9	G285 Q286 Y326	G283-G285 VanDerWaalsContact C-N 3.26Å; G283-G285 PolarHBondContact O-N 2.89Å; G283-Q286 VanDerWaalsContact O-CB 3.24Å; G283-Q286 WeakPolarHBondContact O-CB 3.31Å; G283-Q286 WeakPolarHBondContact O-CG 3.45Å; G283-Q286 PolarHBondContact O-N 3.1Å; G283-Y326 WeakPolarHBondContact CA-O 3.46Å; G283-Y326 PolarHBondContact N-O 2.89Å
284	D	93.9	Very high	94.7	Very high	127 Å²	127	46.5 Å²	46.5	68%	0.679	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	38.4	173.8	-52.7	-51.9	0	0	0	113.3	N282 Q286 K325	N282-D284 VanDerWaalsContact C-N 3.27Å; D284-Q286 VanDerWaalsContact C-N 3.25Å; D284-Q286 PolarHBondContact O-N 2.77Å; D284-K325 IonicContact OD2-NZ 3.58Å; D284-K325 PolarHBondContact OD2-NZ 2.99Å; D284-K325 VanDerWaalsContact OD2-NZ 3.16Å
285	G	93.3	Very high	94.9	Very high	24 Å²	24	51.8 Å²	51.8	25%	0.247	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	4.1	179.9	0	0	0	0	0	115.2	F277 T278 G283	F277-G285 WeakPolarHBondContact CA-O 3.13Å; F277-G285 WeakPolarHBondContact CB-O 3.49Å; T278-G285 PolarHBondContact N-O 3Å; T278-G285 WeakPolarHBondContact O-CA 2.99Å; G283-G285 VanDerWaalsContact C-N 3.26Å; G283-G285 PolarHBondContact O-N 2.89Å
286	Q	96.2	Very high	94.9	Very high	115 Å²	115	51.2 Å²	51.2	54%	0.537	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-61	147	177	-68.4	-61.6	-52.1	0	0	111.6	T278 G283 D284 T316	T278-Q286 WeakPolarHBondContact CB-O 3.35Å; T278-Q286 VanDerWaalsContact CG2-O 3.26Å; T278-Q286 WeakPolarHBondContact CG2-O 3.45Å; T278-Q286 PolarHBondContact N-O 2.85Å; T278-Q286 PolarHBondContact OG1-O 2.84Å; G283-Q286 VanDerWaalsContact O-CB 3.24Å; G283-Q286 WeakPolarHBondContact O-CB 3.31Å; G283-Q286 WeakPolarHBondContact O-CG 3.45Å; G283-Q286 PolarHBondContact O-N 3.1Å; D284-Q286 VanDerWaalsContact C-N 3.25Å; D284-Q286 PolarHBondContact O-N 2.77Å; Q286-T316 HydrophobicContact CB-CG2 4.31Å; Q286-T316 WeakPolarHBondContact O-CG2 3.42Å
287	P	96.1	Very high	95.1	Very high	46 Å²	46	55.1 Å²	55.1	30%	0.299	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-62.4	157.1	175	27.1	-34.8	0	0	0	111.4	E274 S275	E274-P287 CarbonylContact O-C 3.55Å; E274-P287 WeakPolarHBondContact O-CA 3.35Å; S275-P287 WeakPolarHBondContact O-CB 3.34Å
288	C	95.6	Very high	95.1	Very high	13 Å²	13	58.7 Å²	58.7	9%	0.088	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.6	144.4	169.5	-62.7	0	0	0	0	110.7	E274 T278 F290 C314 C329	E274-C288 HydrophobicContact CB-CB 4.3Å; E274-C288 VanDerWaalsContact CB-SG 3.55Å; E274-C288 PolarHBondContact O-N 3.25Å; T278-C288 WeakPolarHBondContact CG2-SG 3.26Å; C288-F290 HydrophobicContact CB-CD2 4.23Å; C288-F290 HydrophobicContact CB-CE1 3.88Å; C288-F290 HydrophobicContact CB-CE2 3.56Å; C288-F290 HydrophobicContact CB-CZ 3.36Å; C288-C314 WeakPolarHBondContact CA-SG 3.18Å; C288-C314 HydrophobicContact CB-CB 3.69Å; C288-C314 WeakPolarHBondContact CB-SG 3.4Å; C288-C314 WeakPolarHBondContact SG-CB 3.42Å; C288-C314 CovalentContact SG-SG 1.99Å; C288-C314 PolarHBondContact SG-SG 3.44Å; C288-C329 VanDerWaalsContact SG-SG 3.65Å
289	K	97.1	Very high	94.9	Very high	83 Å²	83	60 Å²	60	36%	0.361	35%	0.347	S	S	.	.			trans	-104	103.2	175	179.3	57.8	175.6	178.8	0	108.6	P291 F292 G315 E318	K289-P291 CarbonylContact O-C 3.59Å; K289-F292 VanDerWaalsContact O-CB 3.29Å; K289-F292 WeakPolarHBondContact O-CB 3.29Å; K289-F292 PolarHBondContact O-N 3.29Å; K289-F292 VanDerWaalsContact O-N 3.11Å; K289-G315 PolarHBondContact N-O 2.82Å; K289-E318 HydrophobicContact CD-CG 4.1Å; K289-E318 WeakPolarHBondContact CE-OE1 3.09Å; K289-E318 HydrophobicContact CG-CB 4.42Å; K289-E318 HydrophobicContact CG-CG 3.61Å; K289-E318 IonicContact NZ-OE1 3.26Å; K289-E318 PolarHBondContact NZ-OE1 3.15Å
290	F	92.9	Very high	94.6	Very high	53 Å²	53	63.3 Å²	63.3	23%	0.232	36%	0.362	C	S	.	.	S	Bend	trans	-98.4	136	176.9	-59.7	-55.2	0	0	0	112.1	E274 C288 F292 E300 C314	E274-F290 HydrophobicContact CG-CE2 3.81Å; E274-F290 HydrophobicContact CG-CZ 4.02Å; C288-F290 HydrophobicContact CB-CD2 4.23Å; C288-F290 HydrophobicContact CB-CE1 3.88Å; C288-F290 HydrophobicContact CB-CE2 3.56Å; C288-F290 HydrophobicContact CB-CZ 3.36Å; F290-F292 HydrophobicContact CD1-CD1 4.01Å; F290-F292 HydrophobicContact CD1-CE1 4.35Å; F290-F292 HydrophobicContact CE1-CD1 4.01Å; F290-F292 AromaticContact CE1-CE1 3.96Å; F290-F292 HydrophobicContact CE1-CE1 3.96Å; F290-E300 VanDerWaalsContact CD1-O 3.32Å; F290-E300 WeakPolarHBondContact CD1-O 3.05Å; F290-E300 VanDerWaalsContact CG-O 3.26Å; F290-E300 WeakPolarHBondContact CG-O 3.34Å; F290-C314 HydrophobicContact CE1-CB 4.22Å; F290-C314 HydrophobicContact CZ-CB 4.42Å
291	P	95.4	Very high	94.4	Very high	57 Å²	57	67 Å²	67	37%	0.37	37%	0.365	S	S	.	.	S	Bend	cis	-68.1	150.7	-15.4	23.2	-28.8	0	0	0	112.5	K289 Y299 E300	K289-P291 CarbonylContact O-C 3.59Å; P291-Y299 CarbonylContact C-O 3.45Å; P291-Y299 VanDerWaalsContact CA-O 3.22Å; P291-Y299 WeakPolarHBondContact CA-O 3.1Å; P291-E300 WeakPolarHBondContact CB-OE1 3.39Å; P291-E300 WeakPolarHBondContact CD-OE2 3.5Å; P291-E300 WeakPolarHBondContact CG-OE1 3.42Å
292	F	97.1	Very high	94.3	Very high	1 Å²	1	65.5 Å²	65.5	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.9	164.1	71.8	-83.8	0	0	0	111.2	K289 F290 F294 S298 Y299 T303 W313 C314 G315 T317 E318	K289-F292 VanDerWaalsContact O-CB 3.29Å; K289-F292 WeakPolarHBondContact O-CB 3.29Å; K289-F292 PolarHBondContact O-N 3.29Å; K289-F292 VanDerWaalsContact O-N 3.11Å; F290-F292 HydrophobicContact CD1-CD1 4.01Å; F290-F292 HydrophobicContact CD1-CE1 4.35Å; F290-F292 HydrophobicContact CE1-CD1 4.01Å; F290-F292 AromaticContact CE1-CE1 3.96Å; F290-F292 HydrophobicContact CE1-CE1 3.96Å; F292-F294 HydrophobicContact CD2-CB 4.41Å; F292-F294 HydrophobicContact CE2-CB 4.08Å; F292-S298 CarbonylContact O-C 3.48Å; F292-S298 WeakPolarHBondContact O-CA 3.11Å; F292-Y299 VanDerWaalsContact CE1-CB 3.45Å; F292-Y299 HydrophobicContact CE1-CG 4.32Å; F292-Y299 HydrophobicContact CE2-CD2 4.05Å; F292-Y299 HydrophobicContact CE2-CG 4.28Å; F292-Y299 HydrophobicContact CZ-CD2 4.17Å; F292-Y299 AromaticContact CZ-CG 3.92Å; F292-Y299 HydrophobicContact CZ-CG 3.92Å; F292-Y299 PolarHBondContact N-O 3.07Å; F292-Y299 PolarHBondContact O-N 3.05Å; F292-T303 HydrophobicContact CZ-CG2 4.12Å; F292-W313 HydrophobicContact CE2-CH2 4.06Å; F292-W313 HydrophobicContact CE2-CZ3 4.04Å; F292-C314 HydrophobicContact CD1-CB 4.21Å; F292-C314 HydrophobicContact CE1-CB 3.75Å; F292-C314 HydrophobicContact CZ-CB 4.24Å; F292-G315 VanDerWaalsContact CD2-N 3.34Å; F292-T317 WeakPolarHBondContact CB-O 3.4Å; F292-E318 CarbonylContact C-O 3.08Å; F292-E318 WeakPolarHBondContact CA-O 3.18Å
293	K	97.4	Very high	94.2	Very high	86 Å²	86	63.5 Å²	63.5	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.1	179.2	-170.1	-178.4	175.9	-170.7	0	112.1	K297 E318 Y320	K293-K297 CarbonylContact C-O 3.6Å; K293-K297 WeakPolarHBondContact CA-O 3.31Å; K293-E318 PolarHBondContact N-O 2.85Å; K293-Y320 WeakPolarHBondContact O-CB 3.22Å; K293-Y320 PolarHBondContact O-N 3.34Å
294	F	97.3	Very high	94.2	Very high	15 Å²	15	66.4 Å²	66.4	7%	0.066	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.7	172.4	170.7	-123.8	0	0	0	110.7	F292 G296 K297 Y299 E305 W313 Y320	F292-F294 HydrophobicContact CD2-CB 4.41Å; F292-F294 HydrophobicContact CE2-CB 4.08Å; F294-G296 PolarHBondContact O-N 3.4Å; F294-G296 VanDerWaalsContact O-N 3.1Å; F294-K297 PolarHBondContact N-O 3.47Å; F294-K297 PolarHBondContact O-N 3.31Å; F294-Y299 HydrophobicContact CB-CD2 4.14Å; F294-Y299 HydrophobicContact CB-CE2 3.83Å; F294-Y299 HydrophobicContact CD1-CE2 4.04Å; F294-Y299 HydrophobicContact CG-CE2 4.44Å; F294-E305 HydrophobicContact CD1-CB 4.4Å; F294-E305 HydrophobicContact CD1-CG 4.24Å; F294-E305 HydrophobicContact CE1-CB 4.08Å; F294-E305 HydrophobicContact CE1-CG 3.77Å; F294-W313 HydrophobicContact CB-CH2 4.16Å; F294-W313 HydrophobicContact CD1-CH2 4.05Å; F294-W313 AromaticContact CD1-CZ2 3.69Å; F294-W313 HydrophobicContact CD1-CZ2 3.69Å; F294-W313 AromaticContact CD2-CH2 3.88Å; F294-W313 HydrophobicContact CD2-CH2 3.88Å; F294-W313 HydrophobicContact CD2-CZ2 4.18Å; F294-W313 HydrophobicContact CE1-CH2 4.39Å; F294-W313 AromaticContact CE1-CZ2 3.73Å; F294-W313 HydrophobicContact CE1-CZ2 3.73Å; F294-W313 HydrophobicContact CE2-CH2 4.2Å; F294-W313 HydrophobicContact CE2-CZ2 4.18Å; F294-W313 AromaticContact CG-CH2 3.77Å; F294-W313 HydrophobicContact CG-CH2 3.77Å; F294-W313 AromaticContact CG-CZ2 3.91Å; F294-W313 HydrophobicContact CG-CZ2 3.91Å; F294-W313 HydrophobicContact CZ-CH2 4.44Å; F294-W313 AromaticContact CZ-CZ2 3.96Å; F294-W313 HydrophobicContact CZ-CZ2 3.96Å; F294-Y320 HydrophobicContact CB-CD1 4.32Å; F294-Y320 AromaticContact CD2-CD1 3.44Å; F294-Y320 HydrophobicContact CD2-CD1 3.44Å; F294-Y320 VanDerWaalsContact CD2-CD1 3.44Å; F294-Y320 AromaticContact CD2-CE1 3.53Å; F294-Y320 HydrophobicContact CD2-CE1 3.53Å; F294-Y320 HydrophobicContact CE2-CD1 4.09Å; F294-Y320 AromaticContact CE2-CE1 3.67Å; F294-Y320 HydrophobicContact CE2-CE1 3.67Å; F294-Y320 HydrophobicContact CG-CD1 4.24Å
295	Q	95.1	Very high	94.3	Very high	138 Å²	138	64.3 Å²	64.3	65%	0.645	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	37.5	-175.7	-62.8	-174.8	8.1	0	0	113.8	K297 D321	Q295-K297 VanDerWaalsContact C-N 3.28Å; Q295-K297 PolarHBondContact O-N 2.94Å; Q295-D321 VanDerWaalsContact N-CG 3.3Å; Q295-D321 PolarHBondContact N-OD1 3.01Å; Q295-D321 PolarHBondContact N-OD2 3.2Å
296	G	89.7	Confident	94.2	Very high	55 Å²	55	66.6 Å²	66.6	57%	0.567	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-0.1	-179.8	0	0	0	0	0	116.1	F294 D321	F294-G296 PolarHBondContact O-N 3.4Å; F294-G296 VanDerWaalsContact O-N 3.1Å; G296-D321 PolarHBondContact N-OD2 2.94Å
297	K	95.3	Very high	94.1	Very high	120 Å²	120	65.2 Å²	65.2	52%	0.522	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	144.2	170.5	-64.5	178	-175.9	171.5	0	110.2	K293 F294 Q295 Y299	K293-K297 CarbonylContact C-O 3.6Å; K293-K297 WeakPolarHBondContact CA-O 3.31Å; F294-K297 PolarHBondContact N-O 3.47Å; F294-K297 PolarHBondContact O-N 3.31Å; Q295-K297 VanDerWaalsContact C-N 3.28Å; Q295-K297 PolarHBondContact O-N 2.94Å; K297-Y299 HydrophobicContact CB-CD2 4.47Å; K297-Y299 HydrophobicContact CB-CE2 3.73Å
298	S	95.7	Very high	93.9	Very high	87 Å²	87	67.8 Å²	67.8	61%	0.608	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.7	172.3	-63.7	0	0	0	0	110	F292	F292-S298 CarbonylContact O-C 3.48Å; F292-S298 WeakPolarHBondContact O-CA 3.11Å
299	Y	91.5	Very high	93.6	Very high	31 Å²	31	69.6 Å²	69.6	12%	0.122	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.1	-179.1	-67	-94.7	0	0	0	109.6	P291 F292 F294 K297 T303 E305	P291-Y299 CarbonylContact C-O 3.45Å; P291-Y299 VanDerWaalsContact CA-O 3.22Å; P291-Y299 WeakPolarHBondContact CA-O 3.1Å; F292-Y299 VanDerWaalsContact CE1-CB 3.45Å; F292-Y299 HydrophobicContact CE1-CG 4.32Å; F292-Y299 HydrophobicContact CE2-CD2 4.05Å; F292-Y299 HydrophobicContact CE2-CG 4.28Å; F292-Y299 HydrophobicContact CZ-CD2 4.17Å; F292-Y299 AromaticContact CZ-CG 3.92Å; F292-Y299 HydrophobicContact CZ-CG 3.92Å; F292-Y299 PolarHBondContact N-O 3.07Å; F292-Y299 PolarHBondContact O-N 3.05Å; F294-Y299 HydrophobicContact CB-CD2 4.14Å; F294-Y299 HydrophobicContact CB-CE2 3.83Å; F294-Y299 HydrophobicContact CD1-CE2 4.04Å; F294-Y299 HydrophobicContact CG-CE2 4.44Å; K297-Y299 HydrophobicContact CB-CD2 4.47Å; K297-Y299 HydrophobicContact CB-CE2 3.73Å; Y299-T303 HydrophobicContact CD1-CG2 3.82Å; Y299-T303 HydrophobicContact CE1-CG2 3.8Å; Y299-T303 WeakPolarHBondContact CE1-OG1 3.4Å; Y299-T303 HydrophobicContact CG-CG2 4.34Å; Y299-E305 HydrophobicContact CE1-CB 4.38Å; Y299-E305 WeakPolarHBondContact OH-CG 3.42Å
300	E	89.1	Confident	93.4	Very high	121 Å²	121	65.9 Å²	65.9	57%	0.565	36%	0.363	S	S	*	.	S	Bend	trans	-93	-2.8	178.3	-61.3	-67.3	173	0	0	112.8	F290 P291	F290-E300 VanDerWaalsContact CD1-O 3.32Å; F290-E300 WeakPolarHBondContact CD1-O 3.05Å; F290-E300 VanDerWaalsContact CG-O 3.26Å; F290-E300 WeakPolarHBondContact CG-O 3.34Å; P291-E300 WeakPolarHBondContact CB-OE1 3.39Å; P291-E300 WeakPolarHBondContact CD-OE2 3.5Å; P291-E300 WeakPolarHBondContact CG-OE1 3.42Å
301	Q	89.8	Confident	93.4	Very high	133 Å²	133	67.3 Å²	67.3	62%	0.621	37%	0.368	S	S	*	.	S	Bend	trans	-146.6	168.5	-179.9	60.8	-178.7	66	0	0	109.8
302	C	92.9	Very high	93.4	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.034	36%	0.356	C	S	.	.			trans	-62.2	147.4	172.1	-53.7	0	0	0	0	110.8	R312 W313 C314 C329	C302-R312 HydrophobicContact CB-CB 3.91Å; C302-W313 CarbonylContact C-O 3.57Å; C302-W313 VanDerWaalsContact CA-O 3.3Å; C302-W313 WeakPolarHBondContact CA-O 3.41Å; C302-W313 WeakPolarHBondContact CB-O 3.47Å; C302-C314 HydrophobicContact CB-CB 4.48Å; C302-C329 HydrophobicContact CB-CB 3.66Å; C302-C329 WeakPolarHBondContact CB-SG 3.5Å; C302-C329 WeakPolarHBondContact SG-CB 3.27Å; C302-C329 CovalentContact SG-SG 2.04Å; C302-C329 PolarHBondContact SG-SG 3.31Å
303	T	93.1	Very high	93.5	Very high	21 Å²	21	66.6 Å²	66.6	13%	0.129	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-130.5	160.8	-176.4	-170.1	0	0	0	0	111.2	F292 Y299 E305 R312 W313	F292-T303 HydrophobicContact CZ-CG2 4.12Å; Y299-T303 HydrophobicContact CD1-CG2 3.82Å; Y299-T303 HydrophobicContact CE1-CG2 3.8Å; Y299-T303 WeakPolarHBondContact CE1-OG1 3.4Å; Y299-T303 HydrophobicContact CG-CG2 4.34Å; T303-E305 HydrophobicContact CG2-CB 4.01Å; T303-E305 PolarHBondContact OG1-N 3.3Å; T303-R312 CarbonylContact O-C 3.59Å; T303-R312 WeakPolarHBondContact O-CA 3.03Å; T303-W313 HydrophobicContact CG2-CZ2 4.4Å; T303-W313 PolarHBondContact N-O 3.18Å; T303-W313 PolarHBondContact O-N 2.97Å
304	T	94.1	Very high	93.5	Very high	64 Å²	64	62.5 Å²	62.5	39%	0.393	34%	0.34	S	S	.	.			trans	-101	0.7	168.9	54.8	0	0	0	0	111.9	G306 R307 G310 R312	T304-G306 PolarHBondContact O-N 2.96Å; T304-R307 WeakPolarHBondContact O-CB 3.29Å; T304-R307 PolarHBondContact O-N 2.92Å; T304-G310 VanDerWaalsContact CG2-O 3.32Å; T304-G310 WeakPolarHBondContact CG2-O 3.44Å; T304-R312 HydrophobicContact CG2-CG 4.05Å
305	E	94.6	Very high	93.5	Very high	83 Å²	83	61.8 Å²	61.8	39%	0.388	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	132.5	-179	-169.8	85.6	-170.5	0	0	111	F294 Y299 T303 R307 W313	F294-E305 HydrophobicContact CD1-CB 4.4Å; F294-E305 HydrophobicContact CD1-CG 4.24Å; F294-E305 HydrophobicContact CE1-CB 4.08Å; F294-E305 HydrophobicContact CE1-CG 3.77Å; Y299-E305 HydrophobicContact CE1-CB 4.38Å; Y299-E305 WeakPolarHBondContact OH-CG 3.42Å; T303-E305 HydrophobicContact CG2-CB 4.01Å; T303-E305 PolarHBondContact OG1-N 3.3Å; E305-R307 VanDerWaalsContact C-N 3.28Å; E305-R307 PolarHBondContact O-N 3.26Å; E305-W313 PolarHBondContact O-NE1 3Å
306	G	92.4	Very high	93.6	Very high	71 Å²	71	56.2 Å²	56.2	73%	0.732	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	6.7	-178.9	0	0	0	0	0	114.7	T304	T304-G306 PolarHBondContact O-N 2.96Å
307	R	93.8	Very high	94	Very high	87 Å²	87	55.4 Å²	55.4	33%	0.328	30%	0.296	S	S	.	.			trans	-120.7	155.8	175.1	-55.3	-165.8	68.5	84.6	2.3	112	T304 E305 D309 Y311 W313	T304-R307 WeakPolarHBondContact O-CB 3.29Å; T304-R307 PolarHBondContact O-N 2.92Å; E305-R307 VanDerWaalsContact C-N 3.28Å; E305-R307 PolarHBondContact O-N 3.26Å; R307-D309 IonicContact CZ-OD1 2.77Å; R307-D309 IonicContact CZ-OD2 2.86Å; R307-D309 IonicContact NE-OD1 3.37Å; R307-D309 PolarHBondContact NE-OD1 2.97Å; R307-D309 IonicContact NE-OD2 3.98Å; R307-D309 PolarHBondContact NE-OD2 3.12Å; R307-D309 IonicContact NH2-OD1 3.68Å; R307-D309 IonicContact NH2-OD2 3.47Å; R307-D309 PolarHBondContact NH2-OD2 3.38Å; R307-Y311 WeakPolarHBondContact CD-O 3.35Å; R307-W313 VanDerWaalsContact CD-CD1 3.44Å
308	T	92.1	Very high	94	Very high	99 Å²	99	55.5 Å²	55.5	61%	0.607	30%	0.299	S	S	*	.	S	Bend	trans	-119.2	-4.4	179.6	55.2	0	0	0	0	113.2	R124	R124-T308 PolarHBondContact NH2-O 2.88Å
309	D	90	Very high	94.1	Very high	51 Å²	51	52.9 Å²	52.9	27%	0.273	28%	0.278	S	S	.	.	S	Bend	trans	-97.2	1.3	-178.9	55.2	15.1	0	0	0	113.1	Y128 R307 Y311	Y128-D309 WeakPolarHBondContact CE2-O 3.2Å; R307-D309 IonicContact CZ-OD1 2.77Å; R307-D309 IonicContact CZ-OD2 2.86Å; R307-D309 IonicContact NE-OD1 3.37Å; R307-D309 PolarHBondContact NE-OD1 2.97Å; R307-D309 IonicContact NE-OD2 3.98Å; R307-D309 PolarHBondContact NE-OD2 3.12Å; R307-D309 IonicContact NH2-OD1 3.68Å; R307-D309 IonicContact NH2-OD2 3.47Å; R307-D309 PolarHBondContact NH2-OD2 3.38Å; D309-Y311 HydrophobicContact CB-CD2 3.91Å; D309-Y311 HydrophobicContact CB-CE2 4.21Å; D309-Y311 VanDerWaalsContact CG-CD2 3.4Å; D309-Y311 PolarHBondContact O-N 3.46Å; D309-Y311 PolarHBondContact OD1-N 3.49Å; D309-Y311 WeakPolarHBondContact OD2-CD2 3.41Å
310	G	91.3	Very high	94.3	Very high	5 Å²	5	54 Å²	54	5%	0.052	28%	0.282	C	S	.	.			trans	74.4	-0	177.1	0	0	0	0	0	115.2	I126 T304 R312	I126-G310 WeakPolarHBondContact O-CA 3.48Å; T304-G310 VanDerWaalsContact CG2-O 3.32Å; T304-G310 WeakPolarHBondContact CG2-O 3.44Å; G310-R312 PolarHBondContact O-N 2.94Å
311	Y	94.1	Very high	94.6	Very high	83 Å²	83	51.3 Å²	51.3	33%	0.325	27%	0.271	S	S	.	.			trans	-72.7	125.3	-179.5	-71.6	-59.3	0	0	0	111.8	P134 R307 D309	P134-Y311 HydrophobicContact CB-CD1 4.47Å; P134-Y311 HydrophobicContact CB-CE1 3.6Å; P134-Y311 HydrophobicContact CG-CD1 4.02Å; P134-Y311 HydrophobicContact CG-CE1 3.57Å; R307-Y311 WeakPolarHBondContact CD-O 3.35Å; D309-Y311 HydrophobicContact CB-CD2 3.91Å; D309-Y311 HydrophobicContact CB-CE2 4.21Å; D309-Y311 VanDerWaalsContact CG-CD2 3.4Å; D309-Y311 PolarHBondContact O-N 3.46Å; D309-Y311 PolarHBondContact OD1-N 3.49Å; D309-Y311 WeakPolarHBondContact OD2-CD2 3.41Å
312	R	95.9	Very high	95	Very high	34 Å²	34	52.7 Å²	52.7	13%	0.128	27%	0.271	C	S	.	.			trans	-69.1	136.4	172.6	-64.7	-171	-56.9	-78.1	-15.1	110.8	Y128 T129 P130 C302 T303 T304 G310 F328 C329 P330	Y128-R312 PolarHBondContact O-NH1 3.12Å; T129-R312 PolarHBondContact O-NH1 3.47Å; P130-R312 VanDerWaalsContact CA-CZ 3.42Å; P130-R312 VanDerWaalsContact CA-NH2 3.28Å; C302-R312 HydrophobicContact CB-CB 3.91Å; T303-R312 CarbonylContact O-C 3.59Å; T303-R312 WeakPolarHBondContact O-CA 3.03Å; T304-R312 HydrophobicContact CG2-CG 4.05Å; G310-R312 PolarHBondContact O-N 2.94Å; R312-F328 WeakPolarHBondContact O-CA 3.21Å; R312-C329 HydrophobicContact CB-CB 4.16Å; R312-C329 PolarHBondContact NE-O 3.08Å; R312-C329 PolarHBondContact NH2-O 3.37Å; R312-C329 PolarHBondContact O-N 3.39Å; R312-P330 PolarHBondContact NH2-O 2.95Å
313	W	97.6	Very high	95.2	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.038	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.9	177.8	75.1	-82.4	0	0	0	111.3	F292 F294 C302 T303 E305 R307 Y320 Y326 G327 F328	F292-W313 HydrophobicContact CE2-CH2 4.06Å; F292-W313 HydrophobicContact CE2-CZ3 4.04Å; F294-W313 HydrophobicContact CB-CH2 4.16Å; F294-W313 HydrophobicContact CD1-CH2 4.05Å; F294-W313 AromaticContact CD1-CZ2 3.69Å; F294-W313 HydrophobicContact CD1-CZ2 3.69Å; F294-W313 AromaticContact CD2-CH2 3.88Å; F294-W313 HydrophobicContact CD2-CH2 3.88Å; F294-W313 HydrophobicContact CD2-CZ2 4.18Å; F294-W313 HydrophobicContact CE1-CH2 4.39Å; F294-W313 AromaticContact CE1-CZ2 3.73Å; F294-W313 HydrophobicContact CE1-CZ2 3.73Å; F294-W313 HydrophobicContact CE2-CH2 4.2Å; F294-W313 HydrophobicContact CE2-CZ2 4.18Å; F294-W313 AromaticContact CG-CH2 3.77Å; F294-W313 HydrophobicContact CG-CH2 3.77Å; F294-W313 AromaticContact CG-CZ2 3.91Å; F294-W313 HydrophobicContact CG-CZ2 3.91Å; F294-W313 HydrophobicContact CZ-CH2 4.44Å; F294-W313 AromaticContact CZ-CZ2 3.96Å; F294-W313 HydrophobicContact CZ-CZ2 3.96Å; C302-W313 CarbonylContact C-O 3.57Å; C302-W313 VanDerWaalsContact CA-O 3.3Å; C302-W313 WeakPolarHBondContact CA-O 3.41Å; C302-W313 WeakPolarHBondContact CB-O 3.47Å; T303-W313 HydrophobicContact CG2-CZ2 4.4Å; T303-W313 PolarHBondContact N-O 3.18Å; T303-W313 PolarHBondContact O-N 2.97Å; E305-W313 PolarHBondContact O-NE1 3Å; R307-W313 VanDerWaalsContact CD-CD1 3.44Å; W313-Y320 AromaticContact CH2-CD1 3.76Å; W313-Y320 HydrophobicContact CH2-CD1 3.76Å; W313-Y320 HydrophobicContact CH2-CD2 4.08Å; W313-Y320 AromaticContact CH2-CE1 3.75Å; W313-Y320 HydrophobicContact CH2-CE1 3.75Å; W313-Y320 HydrophobicContact CH2-CE2 4.09Å; W313-Y320 AromaticContact CH2-CG 3.89Å; W313-Y320 HydrophobicContact CH2-CG 3.89Å; W313-Y320 AromaticContact CH2-CZ 3.9Å; W313-Y320 HydrophobicContact CZ3-CD1 4.12Å; W313-Y320 AromaticContact CZ3-CD2 3.57Å; W313-Y320 HydrophobicContact CZ3-CD2 3.57Å; W313-Y320 HydrophobicContact CZ3-CE1 4.2Å; W313-Y320 AromaticContact CZ3-CE2 3.68Å; W313-Y320 HydrophobicContact CZ3-CE2 3.68Å; W313-Y320 AromaticContact CZ3-CG 3.79Å; W313-Y320 HydrophobicContact CZ3-CG 3.79Å; W313-Y320 AromaticContact CZ3-CZ 3.97Å; W313-Y326 HydrophobicContact CE3-CD2 4.48Å; W313-G327 WeakPolarHBondContact CA-O 3.49Å; W313-F328 HydrophobicContact CB-CD1 3.97Å; W313-F328 HydrophobicContact CB-CE1 4.24Å
314	C	97.6	Very high	95.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	159.7	176.1	71.9	0	0	0	0	112	C288 F290 F292 C302 Y326 G327	C288-C314 WeakPolarHBondContact CA-SG 3.18Å; C288-C314 HydrophobicContact CB-CB 3.69Å; C288-C314 WeakPolarHBondContact CB-SG 3.4Å; C288-C314 WeakPolarHBondContact SG-CB 3.42Å; C288-C314 CovalentContact SG-SG 1.99Å; C288-C314 PolarHBondContact SG-SG 3.44Å; F290-C314 HydrophobicContact CE1-CB 4.22Å; F290-C314 HydrophobicContact CZ-CB 4.42Å; F292-C314 HydrophobicContact CD1-CB 4.21Å; F292-C314 HydrophobicContact CE1-CB 3.75Å; F292-C314 HydrophobicContact CZ-CB 4.24Å; C302-C314 HydrophobicContact CB-CB 4.48Å; C314-Y326 VanDerWaalsContact O-CA 3.27Å; C314-Y326 WeakPolarHBondContact O-CA 3.33Å; C314-Y326 VanDerWaalsContact O-CB 3.3Å; C314-Y326 WeakPolarHBondContact O-CB 3.5Å; C314-G327 PolarHBondContact N-O 2.81Å; C314-G327 PolarHBondContact O-N 2.81Å
315	G	97.8	Very high	95.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.5	161.4	0	0	0	0	0	110.8	K289 F292	K289-G315 PolarHBondContact N-O 2.82Å; F292-G315 VanDerWaalsContact CD2-N 3.34Å
316	T	97.4	Very high	95.7	Very high	21 Å²	21	60.4 Å²	60.4	13%	0.129	30%	0.297	C	S	.	.	S	Bend	trans	-90	6.1	170.4	54.4	0	0	0	0	112.1	T278 Q286 K325	T278-T316 HydrophobicContact CG2-CG2 4.24Å; Q286-T316 HydrophobicContact CB-CG2 4.31Å; Q286-T316 WeakPolarHBondContact O-CG2 3.42Å; T316-K325 PolarHBondContact N-O 3.42Å; T316-K325 WeakPolarHBondContact OG1-CB 3.31Å; T316-K325 PolarHBondContact OG1-O 3.11Å
317	T	97.2	Very high	96	Very high	37 Å²	37	57 Å²	57	23%	0.227	26%	0.262	C	S	.	.	S	Bend	trans	-133.6	166.9	169.1	70.7	0	0	0	0	109.9	F292 D319 D323 K325	F292-T317 WeakPolarHBondContact CB-O 3.4Å; T317-D319 PolarHBondContact O-N 3.22Å; T317-D319 PolarHBondContact OG1-O 2.93Å; T317-D323 VanDerWaalsContact CB-OD2 3.26Å; T317-D323 WeakPolarHBondContact CB-OD2 3.15Å; T317-D323 HydrophobicContact CG2-CB 4.12Å; T317-D323 VanDerWaalsContact OG1-CB 3.31Å; T317-D323 WeakPolarHBondContact OG1-CB 3.31Å; T317-D323 PolarHBondContact OG1-OD2 3.04Å; T317-K325 HydrophobicContact CG2-CB 3.95Å; T317-K325 HydrophobicContact CG2-CG 4.49Å
318	E	96.6	Very high	96.1	Very high	123 Å²	123	54.9 Å²	54.9	58%	0.575	26%	0.255	S	S	*	.	S	Bend	trans	-64	-24.7	-177.5	-66.5	178.4	176.2	0	0	113.5	K289 F292 K293	K289-E318 HydrophobicContact CD-CG 4.1Å; K289-E318 WeakPolarHBondContact CE-OE1 3.09Å; K289-E318 HydrophobicContact CG-CB 4.42Å; K289-E318 HydrophobicContact CG-CG 3.61Å; K289-E318 IonicContact NZ-OE1 3.26Å; K289-E318 PolarHBondContact NZ-OE1 3.15Å; F292-E318 CarbonylContact C-O 3.08Å; F292-E318 WeakPolarHBondContact CA-O 3.18Å; K293-E318 PolarHBondContact N-O 2.85Å
319	D	97.2	Very high	96.3	Very high	31 Å²	31	50.3 Å²	50.3	17%	0.166	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-134.7	97.1	-178.7	-166.8	-38.5	0	0	0	109.9	T317 D321 R322 D323	T317-D319 PolarHBondContact O-N 3.22Å; T317-D319 PolarHBondContact OG1-O 2.93Å; D319-D321 VanDerWaalsContact C-N 3.34Å; D319-D321 WeakPolarHBondContact OD1-CB 3.13Å; D319-D321 PolarHBondContact OD1-N 3.2Å; D319-D321 VanDerWaalsContact OD1-N 3.12Å; D319-R322 HydrophobicContact CB-CB 4.08Å; D319-R322 PolarHBondContact O-N 2.79Å; D319-R322 PolarHBondContact OD1-N 2.79Å; D319-D323 PolarHBondContact O-N 2.71Å
320	Y	96.8	Very high	96.4	Very high	56 Å²	56	49.1 Å²	49.1	22%	0.22	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-36.1	178.5	164.9	-89.9	0	0	0	111.4	K293 F294 W313 R322 K324 Y326	K293-Y320 WeakPolarHBondContact O-CB 3.22Å; K293-Y320 PolarHBondContact O-N 3.34Å; F294-Y320 HydrophobicContact CB-CD1 4.32Å; F294-Y320 AromaticContact CD2-CD1 3.44Å; F294-Y320 HydrophobicContact CD2-CD1 3.44Å; F294-Y320 VanDerWaalsContact CD2-CD1 3.44Å; F294-Y320 AromaticContact CD2-CE1 3.53Å; F294-Y320 HydrophobicContact CD2-CE1 3.53Å; F294-Y320 HydrophobicContact CE2-CD1 4.09Å; F294-Y320 AromaticContact CE2-CE1 3.67Å; F294-Y320 HydrophobicContact CE2-CE1 3.67Å; F294-Y320 HydrophobicContact CG-CD1 4.24Å; W313-Y320 AromaticContact CH2-CD1 3.76Å; W313-Y320 HydrophobicContact CH2-CD1 3.76Å; W313-Y320 HydrophobicContact CH2-CD2 4.08Å; W313-Y320 AromaticContact CH2-CE1 3.75Å; W313-Y320 HydrophobicContact CH2-CE1 3.75Å; W313-Y320 HydrophobicContact CH2-CE2 4.09Å; W313-Y320 AromaticContact CH2-CG 3.89Å; W313-Y320 HydrophobicContact CH2-CG 3.89Å; W313-Y320 AromaticContact CH2-CZ 3.9Å; W313-Y320 HydrophobicContact CZ3-CD1 4.12Å; W313-Y320 AromaticContact CZ3-CD2 3.57Å; W313-Y320 HydrophobicContact CZ3-CD2 3.57Å; W313-Y320 HydrophobicContact CZ3-CE1 4.2Å; W313-Y320 AromaticContact CZ3-CE2 3.68Å; W313-Y320 HydrophobicContact CZ3-CE2 3.68Å; W313-Y320 AromaticContact CZ3-CG 3.79Å; W313-Y320 HydrophobicContact CZ3-CG 3.79Å; W313-Y320 AromaticContact CZ3-CZ 3.97Å; Y320-R322 PolarHBondContact O-N 3.46Å; Y320-K324 VanDerWaalsContact O-CA 3.22Å; Y320-K324 WeakPolarHBondContact O-CA 3.37Å; Y320-K324 PolarHBondContact O-N 3.16Å; Y320-Y326 HydrophobicContact CE2-CD1 4.25Å; Y320-Y326 HydrophobicContact CE2-CG 4.24Å
321	D	94.8	Very high	96.5	Very high	63 Å²	63	49 Å²	49	34%	0.337	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-37.2	-179.9	-62	-36.5	0	0	0	111	Q295 G296 D319	Q295-D321 VanDerWaalsContact N-CG 3.3Å; Q295-D321 PolarHBondContact N-OD1 3.01Å; Q295-D321 PolarHBondContact N-OD2 3.2Å; G296-D321 PolarHBondContact N-OD2 2.94Å; D319-D321 VanDerWaalsContact C-N 3.34Å; D319-D321 WeakPolarHBondContact OD1-CB 3.13Å; D319-D321 PolarHBondContact OD1-N 3.2Å; D319-D321 VanDerWaalsContact OD1-N 3.12Å
322	R	97.1	Very high	96.3	Very high	163 Å²	163	45.6 Å²	45.6	62%	0.615	21%	0.208	S	C	*	.	H	α-helix	trans	-77.6	-55.1	177	-173.7	-174.3	68.3	-146.5	-8.3	112.8	D319 Y320	D319-R322 HydrophobicContact CB-CB 4.08Å; D319-R322 PolarHBondContact O-N 2.79Å; D319-R322 PolarHBondContact OD1-N 2.79Å; Y320-R322 PolarHBondContact O-N 3.46Å
323	D	97.1	Very high	95.8	Very high	60 Å²	60	44 Å²	44	32%	0.321	20%	0.203	S	C	.	.	H	α-helix	trans	-91.8	-22.3	-165.4	-57	-33.9	0	0	0	112.7	T317 D319 K325	T317-D323 VanDerWaalsContact CB-OD2 3.26Å; T317-D323 WeakPolarHBondContact CB-OD2 3.15Å; T317-D323 HydrophobicContact CG2-CB 4.12Å; T317-D323 VanDerWaalsContact OG1-CB 3.31Å; T317-D323 WeakPolarHBondContact OG1-CB 3.31Å; T317-D323 PolarHBondContact OG1-OD2 3.04Å; D319-D323 PolarHBondContact O-N 2.71Å; D323-K325 PolarHBondContact O-N 3.01Å; D323-K325 VanDerWaalsContact O-N 3.16Å
324	K	96.9	Very high	94.7	Very high	140 Å²	140	44.9 Å²	44.9	61%	0.609	21%	0.208	S	C	*	.			trans	54.7	29.3	179.9	-54.4	178.4	-177.4	178.2	0	113.6	N282 Y320	N282-K324 PolarHBondContact ND2-O 3.1Å; N282-K324 PolarHBondContact OD1-O 3.47Å; Y320-K324 VanDerWaalsContact O-CA 3.22Å; Y320-K324 WeakPolarHBondContact O-CA 3.37Å; Y320-K324 PolarHBondContact O-N 3.16Å
325	K	98.1	Very high	93.5	Very high	75 Å²	75	45.2 Å²	45.2	33%	0.326	21%	0.21	S	C	.	.			trans	-99.4	122	178	-78.7	-72.6	-173.4	170.2	0	109.5	N282 D284 T316 T317 D323	N282-K325 WeakPolarHBondContact O-CD 3.45Å; N282-K325 WeakPolarHBondContact O-CE 3.13Å; N282-K325 PolarHBondContact O-NZ 2.81Å; N282-K325 WeakPolarHBondContact OD1-CA 3.47Å; D284-K325 IonicContact OD2-NZ 3.58Å; D284-K325 PolarHBondContact OD2-NZ 2.99Å; D284-K325 VanDerWaalsContact OD2-NZ 3.16Å; T316-K325 PolarHBondContact N-O 3.42Å; T316-K325 WeakPolarHBondContact OG1-CB 3.31Å; T316-K325 PolarHBondContact OG1-O 3.11Å; T317-K325 HydrophobicContact CG2-CB 3.95Å; T317-K325 HydrophobicContact CG2-CG 4.49Å; D323-K325 PolarHBondContact O-N 3.01Å; D323-K325 VanDerWaalsContact O-N 3.16Å
326	Y	98.1	Very high	92.7	Very high	59 Å²	59	45.2 Å²	45.2	23%	0.231	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.9	-174.6	80.5	-77.6	0	0	0	112.7	N282 G283 W313 C314 Y320 F328	N282-Y326 HydrophobicContact CB-CE1 4.44Å; N282-Y326 PolarHBondContact N-O 3.26Å; N282-Y326 WeakPolarHBondContact OD1-CD1 3.35Å; N282-Y326 PolarHBondContact OD1-N 3.47Å; N282-Y326 PolarHBondContact OD1-O 3.17Å; G283-Y326 WeakPolarHBondContact CA-O 3.46Å; G283-Y326 PolarHBondContact N-O 2.89Å; W313-Y326 HydrophobicContact CE3-CD2 4.48Å; C314-Y326 VanDerWaalsContact O-CA 3.27Å; C314-Y326 WeakPolarHBondContact O-CA 3.33Å; C314-Y326 VanDerWaalsContact O-CB 3.3Å; C314-Y326 WeakPolarHBondContact O-CB 3.5Å; Y320-Y326 HydrophobicContact CE2-CD1 4.25Å; Y320-Y326 HydrophobicContact CE2-CG 4.24Å; Y326-F328 HydrophobicContact CE2-CD2 4.43Å; Y326-F328 HydrophobicContact CE2-CE1 4.41Å; Y326-F328 AromaticContact CE2-CE2 3.75Å; Y326-F328 HydrophobicContact CE2-CE2 3.75Å; Y326-F328 AromaticContact CE2-CZ 3.75Å; Y326-F328 HydrophobicContact CE2-CZ 3.75Å
327	G	97.7	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	166.6	170.1	0	0	0	0	0	111.3	W313 C314	W313-G327 WeakPolarHBondContact CA-O 3.49Å; C314-G327 PolarHBondContact N-O 2.81Å; C314-G327 PolarHBondContact O-N 2.81Å
328	F	97.8	Very high	91.1	Very high	42 Å²	42	44.8 Å²	44.8	18%	0.184	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.7	178.1	-64.9	-77.5	0	0	0	111.8	M279 R312 W313 Y326 P330	M279-F328 PolarHBondContact N-O 3.22Å; M279-F328 WeakPolarHBondContact O-CB 3.48Å; M279-F328 WeakPolarHBondContact O-CD2 3.18Å; M279-F328 PolarHBondContact O-N 2.96Å; R312-F328 WeakPolarHBondContact O-CA 3.21Å; W313-F328 HydrophobicContact CB-CD1 3.97Å; W313-F328 HydrophobicContact CB-CE1 4.24Å; Y326-F328 HydrophobicContact CE2-CD2 4.43Å; Y326-F328 HydrophobicContact CE2-CE1 4.41Å; Y326-F328 AromaticContact CE2-CE2 3.75Å; Y326-F328 HydrophobicContact CE2-CE2 3.75Å; Y326-F328 AromaticContact CE2-CZ 3.75Å; Y326-F328 HydrophobicContact CE2-CZ 3.75Å; F328-P330 VanDerWaalsContact C-CD 3.45Å; F328-P330 VanDerWaalsContact O-CD 3.28Å; F328-P330 WeakPolarHBondContact O-CD 3.32Å
329	C	95.6	Very high	90.4	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.027	21%	0.205	C	C	.	.			trans	-117.8	70.2	179.5	-40.3	0	0	0	0	109.2	E274 C288 C302 R312 E331	E274-C329 HydrophobicContact CB-CB 4.29Å; C288-C329 VanDerWaalsContact SG-SG 3.65Å; C302-C329 HydrophobicContact CB-CB 3.66Å; C302-C329 WeakPolarHBondContact CB-SG 3.5Å; C302-C329 WeakPolarHBondContact SG-CB 3.27Å; C302-C329 CovalentContact SG-SG 2.04Å; C302-C329 PolarHBondContact SG-SG 3.31Å; R312-C329 HydrophobicContact CB-CB 4.16Å; R312-C329 PolarHBondContact NE-O 3.08Å; R312-C329 PolarHBondContact NH2-O 3.37Å; R312-C329 PolarHBondContact O-N 3.39Å; C329-E331 VanDerWaalsContact C-N 3.29Å; C329-E331 PolarHBondContact O-N 3.4Å
330	P	92.8	Very high	89.8	Confident	25 Å²	25	40.9 Å²	40.9	16%	0.162	21%	0.207	C	C	.	.			trans	-65.6	-31.6	-169.1	25.9	-34.4	0	0	0	113.3	P134 M279 R312 F328	P134-P330 HydrophobicContact CG-CB 4.22Å; M279-P330 HydrophobicContact CB-CG 4.11Å; M279-P330 HydrophobicContact CG-CG 3.76Å; R312-P330 PolarHBondContact NH2-O 2.95Å; F328-P330 VanDerWaalsContact C-CD 3.45Å; F328-P330 VanDerWaalsContact O-CD 3.28Å; F328-P330 WeakPolarHBondContact O-CD 3.32Å
331	E	93.4	Very high	89.1	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	20%	0.199	C	C	.	.			trans	-153.4	148.3	-174.4	-177.5	179.6	-151.5	0	0	107.4	D133 V218 R219 P272 C329	D133-E331 HydrophobicContact CB-CB 4.31Å; V218-E331 VanDerWaalsContact CA-OE1 3.26Å; V218-E331 WeakPolarHBondContact CA-OE1 3.49Å; R219-E331 PolarHBondContact N-OE1 3.39Å; R219-E331 PolarHBondContact N-OE2 3.36Å; P272-E331 HydrophobicContact CB-CB 4.06Å; P272-E331 HydrophobicContact CB-CG 4.49Å; P272-E331 VanDerWaalsContact CB-O 3.26Å; P272-E331 WeakPolarHBondContact CB-O 3.23Å; P272-E331 HydrophobicContact CG-CB 4.29Å; P272-E331 WeakPolarHBondContact CG-OE2 3.44Å; C329-E331 VanDerWaalsContact C-N 3.29Å; C329-E331 PolarHBondContact O-N 3.4Å
332	T	89.9	Confident	88.3	Confident	12 Å²	12	44.1 Å²	44.1	7%	0.074	22%	0.223	C	C	.	.			trans	-126.6	110	175.9	-56.8	0	0	0	0	108.1	P130 E274 M334	P130-T332 PolarHBondContact O-N 2.83Å; E274-T332 PolarHBondContact OE1-OG1 3.29Å; E274-T332 WeakPolarHBondContact OE2-CB 3.48Å; E274-T332 VanDerWaalsContact OE2-CG2 3.26Å; E274-T332 WeakPolarHBondContact OE2-CG2 3.22Å; E274-T332 PolarHBondContact OE2-OG1 3.17Å; T332-M334 HydrophobicContact CG2-CG 4.21Å; T332-M334 PolarHBondContact O-N 3.05Å
333	A	83.8	Confident	87.2	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.008	20%	0.197	C	C	.	.			trans	-69.7	83.4	175.7	0	0	0	0	0	109.9	V218 C271 P272 S335	V218-A333 HydrophobicContact CG1-CB 3.96Å; V218-A333 HydrophobicContact CG2-CB 4.11Å; C271-A333 HydrophobicContact CB-CB 3.61Å; P272-A333 VanDerWaalsContact O-CB 3.26Å; P272-A333 WeakPolarHBondContact O-CB 3.46Å; P272-A333 PolarHBondContact O-N 2.8Å; A333-S335 PolarHBondContact O-N 3.41Å
334	M	75.7	Confident	86.2	Confident	29 Å²	29	35.4 Å²	35.4	14%	0.143	20%	0.195	C	C	.	.			trans	-67.1	132.5	-179.4	-74.4	-156.5	-76.1	0	0	110.9	D131 Q216 T332	D131-M334 WeakPolarHBondContact OD1-CE 3.2Å; Q216-M334 PolarHBondContact NE2-O 3.43Å; Q216-M334 PolarHBondContact OE1-O 3.31Å; T332-M334 HydrophobicContact CG2-CG 4.21Å; T332-M334 PolarHBondContact O-N 3.05Å
335	S	72.4	Confident	85.4	Confident	7 Å²	7	31.9 Å²	31.9	5%	0.049	19%	0.186	C	C	.	.	S	Bend	trans	-98.8	-12.9	172.8	-68.7	0	0	0	0	112	A333 G343 P388	A333-S335 PolarHBondContact O-N 3.41Å; S335-G343 PolarHBondContact N-O 3.16Å; S335-P388 WeakPolarHBondContact O-CD 3.39Å
336	T	80.6	Confident	84.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-139.2	153.5	167.3	57.6	0	0	0	0	111	G343 A344 C372 F386	T336-G343 PolarHBondContact N-O 2.93Å; T336-G343 WeakPolarHBondContact O-CA 3.31Å; T336-A344 WeakPolarHBondContact CG2-O 3.36Å; T336-A344 PolarHBondContact OG1-O 3.14Å; T336-C372 WeakPolarHBondContact CG2-SG 3.47Å; T336-F386 CarbonylContact C-O 3.58Å; T336-F386 WeakPolarHBondContact CA-O 3.49Å; T336-F386 WeakPolarHBondContact CB-O 3.1Å
337	V	80.4	Confident	84.1	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.03	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-115	138.1	176.8	-173.1	0	0	0	0	109	K184 L209 F386 P388	K184-V337 HydrophobicContact CD-CG1 3.91Å; L209-V337 HydrophobicContact CB-CG1 4.36Å; L209-V337 HydrophobicContact CB-CG2 4.27Å; L209-V337 HydrophobicContact CD1-CG2 4.04Å; L209-V337 HydrophobicContact CD2-CG2 4.15Å; L209-V337 HydrophobicContact CG-CG2 4.37Å; V337-F386 PolarHBondContact N-O 3.14Å; V337-F386 VanDerWaalsContact O-CB 3.25Å; V337-F386 WeakPolarHBondContact O-CB 3.14Å; V337-F386 WeakPolarHBondContact O-CD2 3.29Å; V337-F386 PolarHBondContact O-N 2.97Å; V337-P388 HydrophobicContact CG2-CG 4.4Å
338	G	80.5	Confident	83.5	Confident	43 Å²	43	32.7 Å²	32.7	44%	0.443	20%	0.199	S	C	.	.	S	Bend	trans	57.3	-146.6	-178.6	0	0	0	0	0	113.8
339	G	82.2	Confident	83.1	Confident	34 Å²	34	33 Å²	33	35%	0.351	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	-146.4	-175.6	0	0	0	0	0	112.3
340	N	84	Confident	83	Confident	38 Å²	38	32.9 Å²	32.9	20%	0.203	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	17.9	-178.2	70	0.5	0	0	0	113.2	R382 K383 W384	N340-R382 PolarHBondContact ND2-O 3.06Å; N340-K383 PolarHBondContact O-NZ 2.81Å; N340-K383 WeakPolarHBondContact OD1-CA 3.5Å; N340-W384 PolarHBondContact N-O 3.07Å; N340-W384 VanDerWaalsContact OD1-CD1 3.29Å; N340-W384 PolarHBondContact OD1-N 2.97Å; N340-W384 PolarHBondContact OD1-O 2.96Å
341	S	83	Confident	83.2	Confident	9 Å²	9	34 Å²	34	6%	0.063	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-1.3	-178.7	-59.1	0	0	0	0	113.5	G343 A344 S374 W384	S341-G343 VanDerWaalsContact C-N 3.26Å; S341-G343 PolarHBondContact O-N 2.94Å; S341-A344 WeakPolarHBondContact O-CB 3.3Å; S341-A344 PolarHBondContact O-N 3.4Å; S341-S374 WeakPolarHBondContact CB-OG 3.39Å; S341-S374 WeakPolarHBondContact OG-CB 3.4Å; S341-S374 PolarHBondContact OG-OG 3.25Å; S341-W384 WeakPolarHBondContact CB-O 3.13Å; S341-W384 PolarHBondContact N-O 2.83Å; S341-W384 WeakPolarHBondContact OG-CA 3.31Å; S341-W384 PolarHBondContact OG-N 3.26Å; S341-W384 PolarHBondContact OG-O 3Å
342	E	76.8	Confident	83.3	Confident	178 Å²	178	34 Å²	34	83%	0.832	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	45.1	171.3	-62	168.9	-160.5	0	0	112.3	A344	E342-A344 VanDerWaalsContact C-N 3.32Å; E342-A344 PolarHBondContact O-N 2.96Å
343	G	74.6	Confident	83.5	Confident	6 Å²	6	36.3 Å²	36.3	6%	0.062	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-10.1	179.1	0	0	0	0	0	115.9	S335 T336 S341	S335-G343 PolarHBondContact N-O 3.16Å; T336-G343 PolarHBondContact N-O 2.93Å; T336-G343 WeakPolarHBondContact O-CA 3.31Å; S341-G343 VanDerWaalsContact C-N 3.26Å; S341-G343 PolarHBondContact O-N 2.94Å
344	A	76.6	Confident	83.8	Confident	35 Å²	35	39.3 Å²	39.3	29%	0.289	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-56.1	147.2	-176.6	0	0	0	0	0	112.5	T336 S341 E342	T336-A344 WeakPolarHBondContact CG2-O 3.36Å; T336-A344 PolarHBondContact OG1-O 3.14Å; S341-A344 WeakPolarHBondContact O-CB 3.3Å; S341-A344 PolarHBondContact O-N 3.4Å; E342-A344 VanDerWaalsContact C-N 3.32Å; E342-A344 PolarHBondContact O-N 2.96Å
345	P	79	Confident	84.7	Confident	65 Å²	65	42 Å²	42	42%	0.422	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-68.7	148.1	-174.5	26.8	-34.2	0	0	0	114.4	V347 S374	P345-V347 PolarHBondContact O-N 3.13Å; P345-S374 WeakPolarHBondContact O-CA 3.36Å; P345-S374 WeakPolarHBondContact O-CB 3.45Å
346	C	83.7	Confident	85.7	Confident	28 Å²	28	48.2 Å²	48.2	19%	0.189	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.1	134.8	167.8	-58.5	0	0	0	0	110.4	F348 C372 A373	C346-F348 HydrophobicContact CB-CD2 4.03Å; C346-F348 HydrophobicContact CB-CE1 4.44Å; C346-F348 HydrophobicContact CB-CE2 3.35Å; C346-F348 HydrophobicContact CB-CZ 3.59Å; C346-C372 WeakPolarHBondContact CA-SG 3.33Å; C346-C372 HydrophobicContact CB-CB 3.6Å; C346-C372 WeakPolarHBondContact CB-SG 3.48Å; C346-C372 WeakPolarHBondContact SG-CB 3.28Å; C346-C372 CovalentContact SG-SG 2.01Å; C346-C372 PolarHBondContact SG-SG 2.92Å; C346-A373 WeakPolarHBondContact CA-O 3.27Å
347	V	86.7	Confident	86.1	Confident	53 Å²	53	50 Å²	50	32%	0.321	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-98.8	118	170.9	173.3	0	0	0	0	108.5	P345 P349 F350 A373 S374	P345-V347 PolarHBondContact O-N 3.13Å; V347-P349 CarbonylContact O-C 3.59Å; V347-F350 WeakPolarHBondContact O-CB 3.48Å; V347-F350 WeakPolarHBondContact O-CD1 3.23Å; V347-F350 PolarHBondContact O-N 2.86Å; V347-A373 PolarHBondContact N-O 2.91Å; V347-S374 VanDerWaalsContact CG2-O 3.27Å; V347-S374 WeakPolarHBondContact CG2-O 3.28Å
348	F	83.3	Confident	86.4	Confident	71 Å²	71	54.9 Å²	54.9	31%	0.311	32%	0.323	S	S	.	.	S	Bend	trans	-116	131.6	175	-63.6	-64.2	0	0	0	110.9	C346 F350 S359 C372	C346-F348 HydrophobicContact CB-CD2 4.03Å; C346-F348 HydrophobicContact CB-CE1 4.44Å; C346-F348 HydrophobicContact CB-CE2 3.35Å; C346-F348 HydrophobicContact CB-CZ 3.59Å; F348-F350 AromaticContact CD1-CD1 3.96Å; F348-F350 HydrophobicContact CD1-CD1 3.96Å; F348-F350 HydrophobicContact CD1-CE1 4.21Å; F348-F350 AromaticContact CE1-CD1 3.91Å; F348-F350 HydrophobicContact CE1-CD1 3.91Å; F348-F350 AromaticContact CE1-CE1 3.72Å; F348-F350 HydrophobicContact CE1-CE1 3.72Å; F348-S359 WeakPolarHBondContact CE1-O 3.33Å; F348-C372 HydrophobicContact CE1-CB 4.25Å; F348-C372 HydrophobicContact CZ-CB 3.97Å
349	P	90.3	Very high	86.6	Confident	49 Å²	49	56.4 Å²	56.4	32%	0.318	33%	0.327	S	S	.	.	S	Bend	cis	-73.2	153.3	-8	25.6	-32	0	0	0	114.4	V347 K356 Y357 E358	V347-P349 CarbonylContact O-C 3.59Å; P349-K356 HydrophobicContact CB-CD 4.12Å; P349-K356 HydrophobicContact CB-CG 3.78Å; P349-Y357 CarbonylContact C-O 3.5Å; P349-Y357 WeakPolarHBondContact CA-O 3.25Å; P349-E358 WeakPolarHBondContact CB-OE1 3.31Å; P349-E358 WeakPolarHBondContact CB-OE2 3.2Å
350	F	93.9	Very high	87	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.3	165.4	71.3	-91.6	0	0	0	112.7	V347 F348 F352 K356 Y357 T361 W371 C372 A373 T375 S376	V347-F350 WeakPolarHBondContact O-CB 3.48Å; V347-F350 WeakPolarHBondContact O-CD1 3.23Å; V347-F350 PolarHBondContact O-N 2.86Å; F348-F350 AromaticContact CD1-CD1 3.96Å; F348-F350 HydrophobicContact CD1-CD1 3.96Å; F348-F350 HydrophobicContact CD1-CE1 4.21Å; F348-F350 AromaticContact CE1-CD1 3.91Å; F348-F350 HydrophobicContact CE1-CD1 3.91Å; F348-F350 AromaticContact CE1-CE1 3.72Å; F348-F350 HydrophobicContact CE1-CE1 3.72Å; F350-F352 HydrophobicContact CD2-CB 4.08Å; F350-F352 HydrophobicContact CE2-CB 3.76Å; F350-K356 WeakPolarHBondContact O-CA 3.5Å; F350-Y357 HydrophobicContact CD2-CD2 4.39Å; F350-Y357 AromaticContact CE2-CD2 3.92Å; F350-Y357 HydrophobicContact CE2-CD2 3.92Å; F350-Y357 HydrophobicContact CE2-CG 4.14Å; F350-Y357 HydrophobicContact CZ-CD2 4.28Å; F350-Y357 HydrophobicContact CZ-CG 4.03Å; F350-Y357 PolarHBondContact N-O 2.68Å; F350-Y357 PolarHBondContact O-N 3.33Å; F350-T361 HydrophobicContact CZ-CG2 4.11Å; F350-W371 AromaticContact CE2-CH2 3.77Å; F350-W371 HydrophobicContact CE2-CH2 3.77Å; F350-W371 HydrophobicContact CE2-CZ2 4.33Å; F350-W371 HydrophobicContact CE2-CZ3 4.09Å; F350-W371 HydrophobicContact CZ-CH2 4.33Å; F350-W371 HydrophobicContact CZ-CZ3 4.39Å; F350-C372 HydrophobicContact CE1-CB 3.98Å; F350-A373 HydrophobicContact CB-CB 3.65Å; F350-A373 HydrophobicContact CD1-CB 4.12Å; F350-A373 HydrophobicContact CD2-CB 3.49Å; F350-A373 VanDerWaalsContact CD2-CB 3.49Å; F350-A373 HydrophobicContact CE2-CB 4.1Å; F350-A373 HydrophobicContact CG-CB 3.5Å; F350-T375 WeakPolarHBondContact CB-O 3.43Å; F350-S376 WeakPolarHBondContact CA-O 3.3Å
351	V	95.9	Very high	87.3	Confident	50 Å²	50	55.7 Å²	55.7	30%	0.303	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.9	174.5	-178.5	0	0	0	0	110.4	N355 S376 Y378	V351-N355 CarbonylContact C-O 3.6Å; V351-N355 WeakPolarHBondContact CA-O 3.41Å; V351-S376 PolarHBondContact N-O 3.33Å; V351-Y378 WeakPolarHBondContact O-CB 3.27Å; V351-Y378 PolarHBondContact O-N 2.78Å
352	F	95.8	Very high	87.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	124.4	174	171.1	-112.9	0	0	0	111.1	I32 F34 F350 G354 N355 Y357 A363 W371 Y378	I32-F352 HydrophobicContact CD1-CE2 3.42Å; I32-F352 VanDerWaalsContact CD1-CE2 3.42Å; I32-F352 HydrophobicContact CD1-CZ 3.53Å; I32-F352 HydrophobicContact CG1-CE2 4.4Å; I32-F352 HydrophobicContact CG1-CZ 4.02Å; F34-F352 HydrophobicContact CZ-CE2 4.33Å; F34-F352 HydrophobicContact CZ-CZ 4.11Å; F350-F352 HydrophobicContact CD2-CB 4.08Å; F350-F352 HydrophobicContact CE2-CB 3.76Å; F352-G354 PolarHBondContact O-N 3.46Å; F352-N355 PolarHBondContact N-O 3.15Å; F352-N355 PolarHBondContact O-N 3.5Å; F352-Y357 HydrophobicContact CB-CD2 3.96Å; F352-Y357 HydrophobicContact CB-CE2 3.69Å; F352-Y357 AromaticContact CD1-CE2 3.94Å; F352-Y357 HydrophobicContact CD1-CE2 3.94Å; F352-Y357 HydrophobicContact CG-CE2 4.3Å; F352-A363 HydrophobicContact CD1-CB 4.02Å; F352-A363 HydrophobicContact CE1-CB 3.82Å; F352-A363 WeakPolarHBondContact CE1-O 3.35Å; F352-W371 HydrophobicContact CB-CH2 4.14Å; F352-W371 HydrophobicContact CB-CZ2 4.34Å; F352-W371 HydrophobicContact CD1-CH2 4.34Å; F352-W371 AromaticContact CD1-CZ2 3.73Å; F352-W371 HydrophobicContact CD1-CZ2 3.73Å; F352-W371 AromaticContact CD2-CH2 3.68Å; F352-W371 HydrophobicContact CD2-CH2 3.68Å; F352-W371 AromaticContact CD2-CZ2 3.75Å; F352-W371 HydrophobicContact CD2-CZ2 3.75Å; F352-W371 AromaticContact CE1-CZ2 3.87Å; F352-W371 HydrophobicContact CE1-CZ2 3.87Å; F352-W371 HydrophobicContact CE2-CH2 4.1Å; F352-W371 AromaticContact CE2-CZ2 3.87Å; F352-W371 HydrophobicContact CE2-CZ2 3.87Å; F352-W371 AromaticContact CG-CH2 3.8Å; F352-W371 HydrophobicContact CG-CH2 3.8Å; F352-W371 AromaticContact CG-CZ2 3.67Å; F352-W371 HydrophobicContact CG-CZ2 3.67Å; F352-W371 AromaticContact CZ-CZ2 3.93Å; F352-W371 HydrophobicContact CZ-CZ2 3.93Å; F352-Y378 AromaticContact CD2-CD1 3.36Å; F352-Y378 HydrophobicContact CD2-CD1 3.36Å; F352-Y378 AromaticContact CD2-CE1 3.86Å; F352-Y378 HydrophobicContact CD2-CE1 3.86Å; F352-Y378 AromaticContact CD2-CG 3.93Å; F352-Y378 HydrophobicContact CD2-CG 3.93Å; F352-Y378 AromaticContact CE2-CD1 3.7Å; F352-Y378 HydrophobicContact CE2-CD1 3.7Å; F352-Y378 AromaticContact CE2-CE1 3.68Å; F352-Y378 HydrophobicContact CE2-CE1 3.68Å
353	L	93.6	Very high	88.3	Confident	62 Å²	62	49.6 Å²	49.6	33%	0.325	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	43.6	-173	-60.6	175.8	0	0	0	112	P30 I32 N355 D379	P30-L353 HydrophobicContact CG-CD1 3.69Å; I32-L353 HydrophobicContact CG2-CD1 4.47Å; L353-N355 PolarHBondContact O-N 3.38Å; L353-N355 PolarHBondContact O-ND2 3.27Å; L353-N355 VanDerWaalsContact O-ND2 3.07Å; L353-D379 WeakPolarHBondContact CA-OD2 3.3Å; L353-D379 VanDerWaalsContact N-CG 3.29Å; L353-D379 PolarHBondContact N-OD1 3.09Å; L353-D379 PolarHBondContact N-OD2 2.77Å
354	G	91.8	Very high	89	Confident	63 Å²	63	49.4 Å²	49.4	65%	0.649	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	1	-177.9	0	0	0	0	0	115.8	F352 D379	F352-G354 PolarHBondContact O-N 3.46Å; G354-D379 PolarHBondContact N-OD2 3.36Å
355	N	93.2	Very high	89.4	Confident	87 Å²	87	49.1 Å²	49.1	47%	0.465	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.5	176.9	-62.4	-75.1	0	0	0	110.6	V351 F352 L353 Y357	V351-N355 CarbonylContact C-O 3.6Å; V351-N355 WeakPolarHBondContact CA-O 3.41Å; F352-N355 PolarHBondContact N-O 3.15Å; F352-N355 PolarHBondContact O-N 3.5Å; L353-N355 PolarHBondContact O-N 3.38Å; L353-N355 PolarHBondContact O-ND2 3.27Å; L353-N355 VanDerWaalsContact O-ND2 3.07Å; N355-Y357 HydrophobicContact CB-CE2 3.71Å; N355-Y357 VanDerWaalsContact O-CD2 3.28Å; N355-Y357 WeakPolarHBondContact O-CD2 3.28Å; N355-Y357 WeakPolarHBondContact O-CE2 3.25Å
356	K	94.3	Very high	89.5	Confident	137 Å²	137	51.1 Å²	51.1	60%	0.596	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.2	179.4	-167.6	-173	-172.1	-144.9	0	110.3	P349 F350 E358	P349-K356 HydrophobicContact CB-CD 4.12Å; P349-K356 HydrophobicContact CB-CG 3.78Å; F350-K356 WeakPolarHBondContact O-CA 3.5Å; K356-E358 WeakPolarHBondContact CE-OE1 3.34Å; K356-E358 IonicContact NZ-OE1 3.25Å; K356-E358 PolarHBondContact NZ-OE1 3.05Å
357	Y	88.9	Confident	89.2	Confident	36 Å²	36	53.3 Å²	53.3	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.2	179.1	-63.7	-94.8	0	0	0	110.1	P349 F350 F352 N355 T361 A363	P349-Y357 CarbonylContact C-O 3.5Å; P349-Y357 WeakPolarHBondContact CA-O 3.25Å; F350-Y357 HydrophobicContact CD2-CD2 4.39Å; F350-Y357 AromaticContact CE2-CD2 3.92Å; F350-Y357 HydrophobicContact CE2-CD2 3.92Å; F350-Y357 HydrophobicContact CE2-CG 4.14Å; F350-Y357 HydrophobicContact CZ-CD2 4.28Å; F350-Y357 HydrophobicContact CZ-CG 4.03Å; F350-Y357 PolarHBondContact N-O 2.68Å; F350-Y357 PolarHBondContact O-N 3.33Å; F352-Y357 HydrophobicContact CB-CD2 3.96Å; F352-Y357 HydrophobicContact CB-CE2 3.69Å; F352-Y357 AromaticContact CD1-CE2 3.94Å; F352-Y357 HydrophobicContact CD1-CE2 3.94Å; F352-Y357 HydrophobicContact CG-CE2 4.3Å; N355-Y357 HydrophobicContact CB-CE2 3.71Å; N355-Y357 VanDerWaalsContact O-CD2 3.28Å; N355-Y357 WeakPolarHBondContact O-CD2 3.28Å; N355-Y357 WeakPolarHBondContact O-CE2 3.25Å; Y357-T361 HydrophobicContact CD1-CG2 3.7Å; Y357-T361 HydrophobicContact CE1-CG2 3.77Å; Y357-T361 WeakPolarHBondContact CE1-OG1 3.44Å; Y357-T361 HydrophobicContact CG-CG2 4.26Å; Y357-A363 HydrophobicContact CE1-CB 4Å; Y357-A363 WeakPolarHBondContact OH-CB 3.03Å
358	E	86.2	Confident	88.8	Confident	108 Å²	108	53.1 Å²	53.1	51%	0.505	31%	0.311	S	S	.	.	S	Bend	trans	-106.9	1.9	179.6	-59.3	-74.7	173.4	0	0	111.9	P349 K356	P349-E358 WeakPolarHBondContact CB-OE1 3.31Å; P349-E358 WeakPolarHBondContact CB-OE2 3.2Å; K356-E358 WeakPolarHBondContact CE-OE1 3.34Å; K356-E358 IonicContact NZ-OE1 3.25Å; K356-E358 PolarHBondContact NZ-OE1 3.05Å
359	S	85.7	Confident	88.9	Confident	76 Å²	76	52.5 Å²	52.5	53%	0.531	31%	0.309	S	S	.	.	S	Bend	trans	-150.9	167.5	179	67.5	0	0	0	0	109.9	F348	F348-S359 WeakPolarHBondContact CE1-O 3.33Å
360	C	89.7	Confident	88.9	Confident	33 Å²	33	54.4 Å²	54.4	22%	0.223	31%	0.314	C	S	.	.			trans	-53.2	149.3	169.8	-54.5	0	0	0	0	111.1	M370 W371 C387	C360-M370 HydrophobicContact CB-CB 4.23Å; C360-M370 HydrophobicContact CB-CE 4.13Å; C360-M370 WeakPolarHBondContact O-CE 3.39Å; C360-W371 CarbonylContact C-O 3.6Å; C360-W371 VanDerWaalsContact CA-O 3.3Å; C360-W371 WeakPolarHBondContact CA-O 3.36Å; C360-C387 HydrophobicContact CB-CB 3.81Å; C360-C387 WeakPolarHBondContact CB-SG 3.4Å; C360-C387 WeakPolarHBondContact SG-CB 3.3Å; C360-C387 CovalentContact SG-SG 2.01Å; C360-C387 PolarHBondContact SG-SG 2.82Å
361	T	89.9	Confident	88.7	Confident	23 Å²	23	54.4 Å²	54.4	14%	0.141	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-142	157.4	-177.7	-169.9	0	0	0	0	110.8	F350 Y357 A363 W371	F350-T361 HydrophobicContact CZ-CG2 4.11Å; Y357-T361 HydrophobicContact CD1-CG2 3.7Å; Y357-T361 HydrophobicContact CE1-CG2 3.77Å; Y357-T361 WeakPolarHBondContact CE1-OG1 3.44Å; Y357-T361 HydrophobicContact CG-CG2 4.26Å; T361-A363 HydrophobicContact CG2-CB 3.83Å; T361-A363 WeakPolarHBondContact OG1-CB 3.18Å; T361-A363 PolarHBondContact OG1-N 2.87Å; T361-A363 VanDerWaalsContact OG1-N 3.17Å; T361-W371 HydrophobicContact CG2-CZ2 4.41Å; T361-W371 PolarHBondContact N-O 3.14Å; T361-W371 PolarHBondContact O-N 3.34Å
362	S	90.5	Very high	88.5	Confident	50 Å²	50	52 Å²	52	35%	0.35	30%	0.3	S	S	.	.			trans	-97.2	6.7	167.4	56.2	0	0	0	0	112.2	G364 R365	S362-G364 PolarHBondContact O-N 3.22Å; S362-R365 WeakPolarHBondContact O-CB 3.2Å; S362-R365 PolarHBondContact O-N 3.41Å
363	A	91.6	Very high	88.4	Confident	9 Å²	9	52 Å²	52	7%	0.074	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	131.9	-179.8	0	0	0	0	0	111.2	F352 Y357 T361 R365 W371	F352-A363 HydrophobicContact CD1-CB 4.02Å; F352-A363 HydrophobicContact CE1-CB 3.82Å; F352-A363 WeakPolarHBondContact CE1-O 3.35Å; Y357-A363 HydrophobicContact CE1-CB 4Å; Y357-A363 WeakPolarHBondContact OH-CB 3.03Å; T361-A363 HydrophobicContact CG2-CB 3.83Å; T361-A363 WeakPolarHBondContact OG1-CB 3.18Å; T361-A363 PolarHBondContact OG1-N 2.87Å; T361-A363 VanDerWaalsContact OG1-N 3.17Å; A363-R365 VanDerWaalsContact C-N 3.3Å; A363-W371 PolarHBondContact O-NE1 3.08Å
364	G	88.1	Confident	88.3	Confident	2 Å²	2	50 Å²	50	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-5.5	-176.9	0	0	0	0	0	114.9	P30 I32 S362	P30-G364 WeakPolarHBondContact O-CA 3.26Å; I32-G364 PolarHBondContact N-O 2.99Å; S362-G364 PolarHBondContact O-N 3.22Å
365	R	85.9	Confident	88.3	Confident	30 Å²	30	48.6 Å²	48.6	11%	0.113	27%	0.27	C	S	.	.			trans	-113.4	154.6	178.7	-52.5	-166.8	66.3	83.3	4.9	112.1	F34 D37 S362 A363 D367 K369	F34-R365 HydrophobicContact CD2-CG 4.26Å; F34-R365 HydrophobicContact CE2-CG 3.63Å; F34-R365 HydrophobicContact CZ-CG 4.33Å; D37-R365 IonicContact OD1-NH2 3.32Å; D37-R365 IonicContact OD2-CZ 2.87Å; D37-R365 IonicContact OD2-NH1 2.69Å; D37-R365 PolarHBondContact OD2-NH1 3.21Å; D37-R365 IonicContact OD2-NH2 3Å; D37-R365 PolarHBondContact OD2-NH2 3.01Å; S362-R365 WeakPolarHBondContact O-CB 3.2Å; S362-R365 PolarHBondContact O-N 3.41Å; A363-R365 VanDerWaalsContact C-N 3.3Å; R365-D367 WeakPolarHBondContact CB-OD1 3.42Å; R365-D367 IonicContact CZ-OD1 3.62Å; R365-D367 IonicContact CZ-OD2 3.66Å; R365-D367 IonicContact NE-OD1 3.46Å; R365-D367 PolarHBondContact NE-OD1 2.84Å; R365-D367 IonicContact NE-OD2 2.65Å; R365-D367 PolarHBondContact NE-OD2 3.43Å; R365-D367 IonicContact NH2-OD1 2.79Å; R365-D367 IonicContact NH2-OD2 2.83Å; R365-D367 PolarHBondContact NH2-OD2 2.93Å; R365-K369 WeakPolarHBondContact CD-O 3.14Å
366	N	80.3	Confident	88.3	Confident	107 Å²	107	48.2 Å²	48.2	57%	0.572	27%	0.274	S	S	*	.	S	Bend	trans	-113.8	-6.3	176.8	67.2	-17.3	0	0	0	113.7	I31	I31-N366 HydrophobicContact CD1-CB 3.95Å; I31-N366 HydrophobicContact CG1-CB 4.41Å
367	D	77.1	Confident	88.4	Confident	74 Å²	74	42.3 Å²	42.3	40%	0.396	25%	0.25	S	C	.	.	S	Bend	trans	-90.7	-5.9	177.8	57.9	9.9	0	0	0	112.8	R365 K369	R365-D367 WeakPolarHBondContact CB-OD1 3.42Å; R365-D367 IonicContact CZ-OD1 3.62Å; R365-D367 IonicContact CZ-OD2 3.66Å; R365-D367 IonicContact NE-OD1 3.46Å; R365-D367 PolarHBondContact NE-OD1 2.84Å; R365-D367 IonicContact NE-OD2 2.65Å; R365-D367 PolarHBondContact NE-OD2 3.43Å; R365-D367 IonicContact NH2-OD1 2.79Å; R365-D367 IonicContact NH2-OD2 2.83Å; R365-D367 PolarHBondContact NH2-OD2 2.93Å; D367-K369 HydrophobicContact CB-CG 4.39Å; D367-K369 PolarHBondContact O-N 3.37Å; D367-K369 WeakPolarHBondContact OD1-CB 3.37Å; D367-K369 PolarHBondContact OD1-N 3.41Å
368	G	79.8	Confident	88.6	Confident	49 Å²	49	40.6 Å²	40.6	51%	0.505	24%	0.243	S	C	.	.			trans	75.1	1.3	-178.5	0	0	0	0	0	114.7
369	K	84.9	Confident	89	Confident	58 Å²	58	37.4 Å²	37.4	25%	0.252	23%	0.229	S	C	.	.			trans	-63.5	137.1	179.2	-68.2	-174.7	175.8	-169.3	0	110.6	D185 R365 D367 F386	D185-K369 WeakPolarHBondContact OD2-CE 3.14Å; D185-K369 IonicContact OD2-NZ 3.85Å; D185-K369 PolarHBondContact OD2-NZ 2.98Å; R365-K369 WeakPolarHBondContact CD-O 3.14Å; D367-K369 HydrophobicContact CB-CG 4.39Å; D367-K369 PolarHBondContact O-N 3.37Å; D367-K369 WeakPolarHBondContact OD1-CB 3.37Å; D367-K369 PolarHBondContact OD1-N 3.41Å; K369-F386 HydrophobicContact CB-CD1 3.92Å; K369-F386 HydrophobicContact CB-CE1 3.6Å; K369-F386 HydrophobicContact CD-CD1 4.38Å; K369-F386 HydrophobicContact CD-CE1 3.76Å; K369-F386 HydrophobicContact CD-CZ 3.99Å; K369-F386 HydrophobicContact CG-CE1 4.31Å
370	M	89.3	Confident	89.4	Confident	89 Å²	89	39.9 Å²	39.9	44%	0.438	24%	0.237	S	C	.	.			trans	-89.2	130.9	-178	-63.2	-64.3	-77.3	0	0	110.3	C360 C387	C360-M370 HydrophobicContact CB-CB 4.23Å; C360-M370 HydrophobicContact CB-CE 4.13Å; C360-M370 WeakPolarHBondContact O-CE 3.39Å; M370-C387 PolarHBondContact O-N 3.47Å
371	W	91.2	Very high	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	165	-178.2	77.6	-85.6	0	0	0	112.2	F34 F350 F352 C360 T361 A363 A373 Y378 W384 G385 F386	F34-W371 AromaticContact CE1-CD2 3.7Å; F34-W371 HydrophobicContact CE1-CD2 3.7Å; F34-W371 AromaticContact CE1-CE2 3.45Å; F34-W371 VanDerWaalsContact CE1-CE2 3.45Å; F34-W371 AromaticContact CE1-CE3 3.89Å; F34-W371 HydrophobicContact CE1-CE3 3.89Å; F34-W371 HydrophobicContact CE1-CG 4.44Å; F34-W371 AromaticContact CE1-CH2 3.69Å; F34-W371 HydrophobicContact CE1-CH2 3.69Å; F34-W371 AromaticContact CE1-CZ2 3.46Å; F34-W371 HydrophobicContact CE1-CZ2 3.46Å; F34-W371 VanDerWaalsContact CE1-CZ2 3.46Å; F34-W371 AromaticContact CE1-CZ3 3.89Å; F34-W371 HydrophobicContact CE1-CZ3 3.89Å; F34-W371 AromaticContact CE1-NE1 3.99Å; F34-W371 AromaticContact CZ-CD2 3.94Å; F34-W371 HydrophobicContact CZ-CD2 3.94Å; F34-W371 AromaticContact CZ-CE2 3.32Å; F34-W371 HydrophobicContact CZ-CG 4.42Å; F34-W371 HydrophobicContact CZ-CH2 4.18Å; F34-W371 AromaticContact CZ-CZ2 3.47Å; F34-W371 HydrophobicContact CZ-CZ2 3.47Å; F34-W371 VanDerWaalsContact CZ-CZ2 3.47Å; F34-W371 AromaticContact CZ-NE1 3.42Å; F350-W371 AromaticContact CE2-CH2 3.77Å; F350-W371 HydrophobicContact CE2-CH2 3.77Å; F350-W371 HydrophobicContact CE2-CZ2 4.33Å; F350-W371 HydrophobicContact CE2-CZ3 4.09Å; F350-W371 HydrophobicContact CZ-CH2 4.33Å; F350-W371 HydrophobicContact CZ-CZ3 4.39Å; F352-W371 HydrophobicContact CB-CH2 4.14Å; F352-W371 HydrophobicContact CB-CZ2 4.34Å; F352-W371 HydrophobicContact CD1-CH2 4.34Å; F352-W371 AromaticContact CD1-CZ2 3.73Å; F352-W371 HydrophobicContact CD1-CZ2 3.73Å; F352-W371 AromaticContact CD2-CH2 3.68Å; F352-W371 HydrophobicContact CD2-CH2 3.68Å; F352-W371 AromaticContact CD2-CZ2 3.75Å; F352-W371 HydrophobicContact CD2-CZ2 3.75Å; F352-W371 AromaticContact CE1-CZ2 3.87Å; F352-W371 HydrophobicContact CE1-CZ2 3.87Å; F352-W371 HydrophobicContact CE2-CH2 4.1Å; F352-W371 AromaticContact CE2-CZ2 3.87Å; F352-W371 HydrophobicContact CE2-CZ2 3.87Å; F352-W371 AromaticContact CG-CH2 3.8Å; F352-W371 HydrophobicContact CG-CH2 3.8Å; F352-W371 AromaticContact CG-CZ2 3.67Å; F352-W371 HydrophobicContact CG-CZ2 3.67Å; F352-W371 AromaticContact CZ-CZ2 3.93Å; F352-W371 HydrophobicContact CZ-CZ2 3.93Å; C360-W371 CarbonylContact C-O 3.6Å; C360-W371 VanDerWaalsContact CA-O 3.3Å; C360-W371 WeakPolarHBondContact CA-O 3.36Å; T361-W371 HydrophobicContact CG2-CZ2 4.41Å; T361-W371 PolarHBondContact N-O 3.14Å; T361-W371 PolarHBondContact O-N 3.34Å; A363-W371 PolarHBondContact O-NE1 3.08Å; W371-A373 HydrophobicContact CZ3-CB 4.26Å; W371-Y378 HydrophobicContact CH2-CD1 4.39Å; W371-Y378 AromaticContact CH2-CD2 3.74Å; W371-Y378 HydrophobicContact CH2-CD2 3.74Å; W371-Y378 HydrophobicContact CH2-CE2 4.2Å; W371-Y378 AromaticContact CH2-CG 3.83Å; W371-Y378 HydrophobicContact CH2-CG 3.83Å; W371-Y378 AromaticContact CZ3-CD2 3.62Å; W371-Y378 HydrophobicContact CZ3-CD2 3.62Å; W371-Y378 HydrophobicContact CZ3-CE2 4.08Å; W371-Y378 HydrophobicContact CZ3-CG 4.14Å; W371-W384 HydrophobicContact CB-CE3 3.84Å; W371-W384 HydrophobicContact CB-CZ3 4Å; W371-W384 HydrophobicContact CD2-CE3 4.27Å; W371-W384 HydrophobicContact CE3-CB 3.68Å; W371-W384 HydrophobicContact CE3-CD2 4.49Å; W371-W384 HydrophobicContact CE3-CE3 4.06Å; W371-W384 HydrophobicContact CE3-CG 4.39Å; W371-W384 HydrophobicContact CG-CE3 4.19Å; W371-W384 HydrophobicContact CZ3-CB 3.74Å; W371-G385 WeakPolarHBondContact CA-O 3.29Å; W371-G385 WeakPolarHBondContact CB-O 3.17Å; W371-F386 HydrophobicContact CB-CD1 4.3Å
372	C	91.6	Very high	89.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.9	173.6	68.5	0	0	0	0	111.4	T336 C346 F348 F350 W384 G385	T336-C372 WeakPolarHBondContact CG2-SG 3.47Å; C346-C372 WeakPolarHBondContact CA-SG 3.33Å; C346-C372 HydrophobicContact CB-CB 3.6Å; C346-C372 WeakPolarHBondContact CB-SG 3.48Å; C346-C372 WeakPolarHBondContact SG-CB 3.28Å; C346-C372 CovalentContact SG-SG 2.01Å; C346-C372 PolarHBondContact SG-SG 2.92Å; F348-C372 HydrophobicContact CE1-CB 4.25Å; F348-C372 HydrophobicContact CZ-CB 3.97Å; F350-C372 HydrophobicContact CE1-CB 3.98Å; C372-W384 WeakPolarHBondContact O-CA 3.4Å; C372-W384 WeakPolarHBondContact O-CB 3.46Å; C372-G385 PolarHBondContact N-O 3.46Å; C372-G385 PolarHBondContact O-N 3.07Å; C372-G385 VanDerWaalsContact O-N 3.15Å
373	A	93.4	Very high	89.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.8	167.2	0	0	0	0	0	110.1	C346 V347 F350 W371 T375 K383	C346-A373 WeakPolarHBondContact CA-O 3.27Å; V347-A373 PolarHBondContact N-O 2.91Å; F350-A373 HydrophobicContact CB-CB 3.65Å; F350-A373 HydrophobicContact CD1-CB 4.12Å; F350-A373 HydrophobicContact CD2-CB 3.49Å; F350-A373 VanDerWaalsContact CD2-CB 3.49Å; F350-A373 HydrophobicContact CE2-CB 4.1Å; F350-A373 HydrophobicContact CG-CB 3.5Å; W371-A373 HydrophobicContact CZ3-CB 4.26Å; A373-T375 VanDerWaalsContact C-N 3.27Å; A373-T375 WeakPolarHBondContact CB-O 3.48Å; A373-K383 WeakPolarHBondContact CA-O 3.21Å
374	S	90.3	Very high	89.9	Confident	20 Å²	20	48.1 Å²	48.1	14%	0.14	26%	0.26	C	S	.	.	S	Bend	trans	-91.6	9.3	171.9	56.1	0	0	0	0	112.7	S341 P345 V347 K383	S341-S374 WeakPolarHBondContact CB-OG 3.39Å; S341-S374 WeakPolarHBondContact OG-CB 3.4Å; S341-S374 PolarHBondContact OG-OG 3.25Å; P345-S374 WeakPolarHBondContact O-CA 3.36Å; P345-S374 WeakPolarHBondContact O-CB 3.45Å; V347-S374 VanDerWaalsContact CG2-O 3.27Å; V347-S374 WeakPolarHBondContact CG2-O 3.28Å; S374-K383 PolarHBondContact N-O 3.36Å; S374-K383 VanDerWaalsContact N-O 3.16Å; S374-K383 WeakPolarHBondContact OG-CB 3.46Å
375	T	92.3	Very high	89.9	Confident	32 Å²	32	48 Å²	48	20%	0.196	26%	0.259	C	S	.	.	S	Bend	trans	-136	167.6	172.7	71.5	0	0	0	0	110.1	F350 A373 S377 D381 K383	F350-T375 WeakPolarHBondContact CB-O 3.43Å; A373-T375 VanDerWaalsContact C-N 3.27Å; A373-T375 WeakPolarHBondContact CB-O 3.48Å; T375-S377 PolarHBondContact O-N 3.14Å; T375-S377 PolarHBondContact OG1-O 3.32Å; T375-D381 WeakPolarHBondContact CB-OD2 3.49Å; T375-D381 HydrophobicContact CG2-CB 3.97Å; T375-D381 WeakPolarHBondContact CG2-OD2 3.29Å; T375-D381 WeakPolarHBondContact OG1-CB 3.36Å; T375-D381 PolarHBondContact OG1-OD2 2.87Å; T375-K383 HydrophobicContact CG2-CB 3.97Å
376	S	93.7	Very high	90.1	Very high	80 Å²	80	47.3 Å²	47.3	56%	0.559	26%	0.256	S	S	*	.	S	Bend	trans	-66	-16.2	-179.7	51.5	0	0	0	0	113.9	F350 V351	F350-S376 WeakPolarHBondContact CA-O 3.3Å; V351-S376 PolarHBondContact N-O 3.33Å
377	S	95.1	Very high	90.4	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.084	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-144.4	105.2	-179.6	-173.3	0	0	0	0	110.8	T375 D379 D380 D381	T375-S377 PolarHBondContact O-N 3.14Å; T375-S377 PolarHBondContact OG1-O 3.32Å; S377-D379 PolarHBondContact O-N 3.42Å; S377-D380 WeakPolarHBondContact CB-OD2 3.3Å; S377-D380 PolarHBondContact O-N 2.75Å; S377-D380 VanDerWaalsContact OG-CG 3.27Å; S377-D380 PolarHBondContact OG-OD2 3.12Å; S377-D381 PolarHBondContact O-N 2.87Å; S377-D381 VanDerWaalsContact O-N 3.1Å
378	Y	95.1	Very high	90.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-35	171.1	177.4	-87	0	0	0	111.4	I32 F34 P35 V351 F352 W371 D380 R382 W384	I32-Y378 HydrophobicContact CD1-CE1 4.11Å; F34-Y378 AromaticContact CD1-CE2 3.82Å; F34-Y378 HydrophobicContact CD1-CE2 3.82Å; F34-Y378 AromaticContact CD1-CZ 3.7Å; F34-Y378 WeakPolarHBondContact CD1-OH 2.85Å; F34-Y378 HydrophobicContact CE1-CE1 4.44Å; F34-Y378 AromaticContact CE1-CE2 3.84Å; F34-Y378 HydrophobicContact CE1-CE2 3.84Å; F34-Y378 AromaticContact CE1-CZ 3.71Å; P35-Y378 VanDerWaalsContact CD-OH 3.24Å; P35-Y378 WeakPolarHBondContact CD-OH 3.34Å; V351-Y378 WeakPolarHBondContact O-CB 3.27Å; V351-Y378 PolarHBondContact O-N 2.78Å; F352-Y378 AromaticContact CD2-CD1 3.36Å; F352-Y378 HydrophobicContact CD2-CD1 3.36Å; F352-Y378 AromaticContact CD2-CE1 3.86Å; F352-Y378 HydrophobicContact CD2-CE1 3.86Å; F352-Y378 AromaticContact CD2-CG 3.93Å; F352-Y378 HydrophobicContact CD2-CG 3.93Å; F352-Y378 AromaticContact CE2-CD1 3.7Å; F352-Y378 HydrophobicContact CE2-CD1 3.7Å; F352-Y378 AromaticContact CE2-CE1 3.68Å; F352-Y378 HydrophobicContact CE2-CE1 3.68Å; W371-Y378 HydrophobicContact CH2-CD1 4.39Å; W371-Y378 AromaticContact CH2-CD2 3.74Å; W371-Y378 HydrophobicContact CH2-CD2 3.74Å; W371-Y378 HydrophobicContact CH2-CE2 4.2Å; W371-Y378 AromaticContact CH2-CG 3.83Å; W371-Y378 HydrophobicContact CH2-CG 3.83Å; W371-Y378 AromaticContact CZ3-CD2 3.62Å; W371-Y378 HydrophobicContact CZ3-CD2 3.62Å; W371-Y378 HydrophobicContact CZ3-CE2 4.08Å; W371-Y378 HydrophobicContact CZ3-CG 4.14Å; Y378-D380 PolarHBondContact O-N 2.74Å; Y378-R382 WeakPolarHBondContact O-CA 3.43Å; Y378-R382 WeakPolarHBondContact O-CD 3.35Å; Y378-R382 PolarHBondContact O-N 3.11Å; Y378-W384 HydrophobicContact CD2-CB 3.96Å; Y378-W384 HydrophobicContact CE2-CB 3.79Å; Y378-W384 AromaticContact CE2-CD1 3.89Å; Y378-W384 AromaticContact CE2-CG 3.91Å; Y378-W384 HydrophobicContact CE2-CG 3.91Å
379	D	93.5	Very high	91.4	Very high	41 Å²	41	41.7 Å²	41.7	22%	0.219	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-35.6	-176.4	-70.7	-19.8	0	0	0	111.5	L353 G354 S377 R382	L353-D379 WeakPolarHBondContact CA-OD2 3.3Å; L353-D379 VanDerWaalsContact N-CG 3.29Å; L353-D379 PolarHBondContact N-OD1 3.09Å; L353-D379 PolarHBondContact N-OD2 2.77Å; G354-D379 PolarHBondContact N-OD2 3.36Å; S377-D379 PolarHBondContact O-N 3.42Å; D379-R382 PolarHBondContact O-NE 3.09Å
380	D	94.9	Very high	91.7	Very high	128 Å²	128	44.6 Å²	44.6	68%	0.684	23%	0.232	S	C	*	.	H	α-helix	trans	-86.3	-51.4	179.3	-57.4	-44.7	0	0	0	112.2	S377 Y378	S377-D380 WeakPolarHBondContact CB-OD2 3.3Å; S377-D380 PolarHBondContact O-N 2.75Å; S377-D380 VanDerWaalsContact OG-CG 3.27Å; S377-D380 PolarHBondContact OG-OD2 3.12Å; Y378-D380 PolarHBondContact O-N 2.74Å
381	D	94.2	Very high	91.9	Very high	85 Å²	85	40.7 Å²	40.7	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-94.9	-22.7	-166.8	-58.4	-48.7	0	0	0	114.3	T375 S377 K383	T375-D381 WeakPolarHBondContact CB-OD2 3.49Å; T375-D381 HydrophobicContact CG2-CB 3.97Å; T375-D381 WeakPolarHBondContact CG2-OD2 3.29Å; T375-D381 WeakPolarHBondContact OG1-CB 3.36Å; T375-D381 PolarHBondContact OG1-OD2 2.87Å; S377-D381 PolarHBondContact O-N 2.87Å; S377-D381 VanDerWaalsContact O-N 3.1Å; D381-K383 HydrophobicContact CB-CB 4.38Å; D381-K383 HydrophobicContact CB-CG 4.4Å; D381-K383 PolarHBondContact O-N 2.85Å; D381-K383 VanDerWaalsContact O-N 3.13Å
382	R	93.7	Very high	92.2	Very high	114 Å²	114	41.5 Å²	41.5	43%	0.43	22%	0.218	S	C	.	.			trans	55.5	26	-176.2	-55.6	-68.9	175.7	159.5	-3.1	114.3	P35 N340 Y378 D379	P35-R382 HydrophobicContact CG-CB 4.17Å; N340-R382 PolarHBondContact ND2-O 3.06Å; Y378-R382 WeakPolarHBondContact O-CA 3.43Å; Y378-R382 WeakPolarHBondContact O-CD 3.35Å; Y378-R382 PolarHBondContact O-N 3.11Å; D379-R382 PolarHBondContact O-NE 3.09Å
383	K	92.7	Very high	92.5	Very high	89 Å²	89	41.7 Å²	41.7	39%	0.387	22%	0.219	S	C	.	.			trans	-97.2	122	179	-77	-72.5	-173.8	170.4	0	111	N340 A373 S374 T375 D381	N340-K383 PolarHBondContact O-NZ 2.81Å; N340-K383 WeakPolarHBondContact OD1-CA 3.5Å; A373-K383 WeakPolarHBondContact CA-O 3.21Å; S374-K383 PolarHBondContact N-O 3.36Å; S374-K383 VanDerWaalsContact N-O 3.16Å; S374-K383 WeakPolarHBondContact OG-CB 3.46Å; T375-K383 HydrophobicContact CG2-CB 3.97Å; D381-K383 HydrophobicContact CB-CB 4.38Å; D381-K383 HydrophobicContact CB-CG 4.4Å; D381-K383 PolarHBondContact O-N 2.85Å; D381-K383 VanDerWaalsContact O-N 3.13Å
384	W	91.6	Very high	92.8	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164.1	-174.3	74.7	-68.8	0	0	0	112.9	F34 P35 D37 N340 S341 W371 C372 Y378 F386	F34-W384 HydrophobicContact CB-CD2 4.26Å; F34-W384 VanDerWaalsContact CB-CE2 3.48Å; F34-W384 HydrophobicContact CB-CH2 3.98Å; F34-W384 HydrophobicContact CB-CZ2 3.33Å; F34-W384 AromaticContact CD1-CD2 3.53Å; F34-W384 HydrophobicContact CD1-CD2 3.53Å; F34-W384 AromaticContact CD1-CE2 3.66Å; F34-W384 AromaticContact CD1-CE3 3.93Å; F34-W384 HydrophobicContact CD1-CE3 3.93Å; F34-W384 AromaticContact CD1-CG 3.84Å; F34-W384 HydrophobicContact CD1-CG 3.84Å; F34-W384 HydrophobicContact CD1-CH2 4.47Å; F34-W384 HydrophobicContact CD1-CZ2 4.15Å; F34-W384 HydrophobicContact CD1-CZ3 4.37Å; F34-W384 AromaticContact CD1-NE1 3.97Å; F34-W384 HydrophobicContact CE1-CD2 4.28Å; F34-W384 HydrophobicContact CE1-CE3 4.39Å; F34-W384 HydrophobicContact CE1-CG 4.48Å; F34-W384 HydrophobicContact CG-CD2 4.17Å; F34-W384 AromaticContact CG-CE2 3.89Å; F34-W384 HydrophobicContact CG-CE3 4.46Å; F34-W384 HydrophobicContact CG-CH2 4.22Å; F34-W384 AromaticContact CG-CZ2 3.93Å; F34-W384 HydrophobicContact CG-CZ2 3.93Å; F34-W384 HydrophobicContact CG-CZ3 4.48Å; P35-W384 PolarHBondContact O-NE1 2.79Å; D37-W384 HydrophobicContact CB-CZ2 4.19Å; N340-W384 PolarHBondContact N-O 3.07Å; N340-W384 VanDerWaalsContact OD1-CD1 3.29Å; N340-W384 PolarHBondContact OD1-N 2.97Å; N340-W384 PolarHBondContact OD1-O 2.96Å; S341-W384 WeakPolarHBondContact CB-O 3.13Å; S341-W384 PolarHBondContact N-O 2.83Å; S341-W384 WeakPolarHBondContact OG-CA 3.31Å; S341-W384 PolarHBondContact OG-N 3.26Å; S341-W384 PolarHBondContact OG-O 3Å; W371-W384 HydrophobicContact CB-CE3 3.84Å; W371-W384 HydrophobicContact CB-CZ3 4Å; W371-W384 HydrophobicContact CD2-CE3 4.27Å; W371-W384 HydrophobicContact CE3-CB 3.68Å; W371-W384 HydrophobicContact CE3-CD2 4.49Å; W371-W384 HydrophobicContact CE3-CE3 4.06Å; W371-W384 HydrophobicContact CE3-CG 4.39Å; W371-W384 HydrophobicContact CG-CE3 4.19Å; W371-W384 HydrophobicContact CZ3-CB 3.74Å; C372-W384 WeakPolarHBondContact O-CA 3.4Å; C372-W384 WeakPolarHBondContact O-CB 3.46Å; Y378-W384 HydrophobicContact CD2-CB 3.96Å; Y378-W384 HydrophobicContact CE2-CB 3.79Å; Y378-W384 AromaticContact CE2-CD1 3.89Å; Y378-W384 AromaticContact CE2-CG 3.91Å; Y378-W384 HydrophobicContact CE2-CG 3.91Å; W384-F386 HydrophobicContact CH2-CD2 4.4Å; W384-F386 AromaticContact CH2-CE1 3.99Å; W384-F386 HydrophobicContact CH2-CE1 3.99Å; W384-F386 AromaticContact CH2-CE2 3.74Å; W384-F386 HydrophobicContact CH2-CE2 3.74Å; W384-F386 AromaticContact CH2-CZ 3.51Å; W384-F386 HydrophobicContact CH2-CZ 3.51Å; W384-F386 AromaticContact CZ3-CD1 3.98Å; W384-F386 HydrophobicContact CZ3-CD1 3.98Å; W384-F386 HydrophobicContact CZ3-CD2 4.24Å; W384-F386 AromaticContact CZ3-CE1 3.68Å; W384-F386 HydrophobicContact CZ3-CE1 3.68Å; W384-F386 AromaticContact CZ3-CE2 3.96Å; W384-F386 HydrophobicContact CZ3-CE2 3.96Å; W384-F386 HydrophobicContact CZ3-CG 4.25Å; W384-F386 AromaticContact CZ3-CZ 3.68Å; W384-F386 HydrophobicContact CZ3-CZ 3.68Å
385	G	88.6	Confident	93.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	164.8	168.8	0	0	0	0	0	110.9	W371 C372	W371-G385 WeakPolarHBondContact CA-O 3.29Å; W371-G385 WeakPolarHBondContact CB-O 3.17Å; C372-G385 PolarHBondContact N-O 3.46Å; C372-G385 PolarHBondContact O-N 3.07Å; C372-G385 VanDerWaalsContact O-N 3.15Å
386	F	88.5	Confident	93.5	Very high	14 Å²	14	41 Å²	41	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	140.6	173.5	-66	-72.3	0	0	0	109.6	K184 T336 V337 K369 W371 W384	K184-F386 HydrophobicContact CD-CD2 4.36Å; T336-F386 CarbonylContact C-O 3.58Å; T336-F386 WeakPolarHBondContact CA-O 3.49Å; T336-F386 WeakPolarHBondContact CB-O 3.1Å; V337-F386 PolarHBondContact N-O 3.14Å; V337-F386 VanDerWaalsContact O-CB 3.25Å; V337-F386 WeakPolarHBondContact O-CB 3.14Å; V337-F386 WeakPolarHBondContact O-CD2 3.29Å; V337-F386 PolarHBondContact O-N 2.97Å; K369-F386 HydrophobicContact CB-CD1 3.92Å; K369-F386 HydrophobicContact CB-CE1 3.6Å; K369-F386 HydrophobicContact CD-CD1 4.38Å; K369-F386 HydrophobicContact CD-CE1 3.76Å; K369-F386 HydrophobicContact CD-CZ 3.99Å; K369-F386 HydrophobicContact CG-CE1 4.31Å; W371-F386 HydrophobicContact CB-CD1 4.3Å; W384-F386 HydrophobicContact CH2-CD2 4.4Å; W384-F386 AromaticContact CH2-CE1 3.99Å; W384-F386 HydrophobicContact CH2-CE1 3.99Å; W384-F386 AromaticContact CH2-CE2 3.74Å; W384-F386 HydrophobicContact CH2-CE2 3.74Å; W384-F386 AromaticContact CH2-CZ 3.51Å; W384-F386 HydrophobicContact CH2-CZ 3.51Å; W384-F386 AromaticContact CZ3-CD1 3.98Å; W384-F386 HydrophobicContact CZ3-CD1 3.98Å; W384-F386 HydrophobicContact CZ3-CD2 4.24Å; W384-F386 AromaticContact CZ3-CE1 3.68Å; W384-F386 HydrophobicContact CZ3-CE1 3.68Å; W384-F386 AromaticContact CZ3-CE2 3.96Å; W384-F386 HydrophobicContact CZ3-CE2 3.96Å; W384-F386 HydrophobicContact CZ3-CG 4.25Å; W384-F386 AromaticContact CZ3-CZ 3.68Å; W384-F386 HydrophobicContact CZ3-CZ 3.68Å
387	C	88	Confident	93.8	Very high	14 Å²	14	37.6 Å²	37.6	10%	0.095	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-71.9	140.2	169	-63.7	0	0	0	0	108.8	C360 M370 D389	C360-C387 HydrophobicContact CB-CB 3.81Å; C360-C387 WeakPolarHBondContact CB-SG 3.4Å; C360-C387 WeakPolarHBondContact SG-CB 3.3Å; C360-C387 CovalentContact SG-SG 2.01Å; C360-C387 PolarHBondContact SG-SG 2.82Å; M370-C387 PolarHBondContact O-N 3.47Å; C387-D389 PolarHBondContact O-N 3.32Å
388	P	87.6	Confident	93.9	Very high	37 Å²	37	37 Å²	37	24%	0.24	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-51.9	129.5	177.8	-27.2	34.7	0	0	0	111.4	L209 S335 V337	L209-P388 HydrophobicContact CD2-CB 3.97Å; S335-P388 WeakPolarHBondContact O-CD 3.39Å; V337-P388 HydrophobicContact CG2-CG 4.4Å
389	D	89.1	Confident	94.1	Very high	62 Å²	62	37 Å²	37	33%	0.332	18%	0.183	S	C	.	.			trans	-97.2	-159.6	172.9	54.7	26.2	0	0	0	109.6	K184 C387 G391	K184-D389 WeakPolarHBondContact CE-OD2 3.24Å; K184-D389 IonicContact NZ-OD1 3.93Å; K184-D389 IonicContact NZ-OD2 3.3Å; K184-D389 PolarHBondContact NZ-OD2 3.22Å; C387-D389 PolarHBondContact O-N 3.32Å; D389-G391 PolarHBondContact O-N 2.58Å; D389-G391 WeakPolarHBondContact OD1-CA 3.47Å; D389-G391 PolarHBondContact OD1-N 2.8Å
390	Q	91.2	Very high	94.4	Very high	118 Å²	118	35.7 Å²	35.7	55%	0.551	18%	0.176	S	C	*	.			trans	-69	-19.2	176.8	-64.7	-60.7	-51.4	0	0	112.7	T211 E214 G215	T211-Q390 WeakPolarHBondContact CG2-O 3.24Å; T211-Q390 PolarHBondContact OG1-O 2.9Å; E214-Q390 VanDerWaalsContact CA-OE1 3.26Å; E214-Q390 PolarHBondContact O-OE1 3.03Å; G215-Q390 VanDerWaalsContact CA-O 3.3Å; G215-Q390 WeakPolarHBondContact CA-O 2.97Å; G215-Q390 PolarHBondContact N-O 2.87Å
391	G	94.3	Very high	94.6	Very high	7 Å²	7	29.6 Å²	29.6	7%	0.072	14%	0.143	C	C	.	.			trans	57	-163.1	-170.5	0	0	0	0	0	113.3	L209 D389	L209-G391 CarbonylContact O-C 3.57Å; L209-G391 WeakPolarHBondContact O-CA 3.3Å; D389-G391 PolarHBondContact O-N 2.58Å; D389-G391 WeakPolarHBondContact OD1-CA 3.47Å; D389-G391 PolarHBondContact OD1-N 2.8Å
392	Y	97.5	Very high	94.8	Very high	18 Å²	18	25.6 Å²	25.6	7%	0.071	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.7	-177.8	-56.8	-77.2	0	0	0	110.5	P97 D185 L188 E208 L209 T211 L394 Y422	P97-Y392 HydrophobicContact CB-CE1 3.55Å; P97-Y392 HydrophobicContact CG-CE1 3.7Å; P97-Y392 WeakPolarHBondContact CG-OH 3.2Å; D185-Y392 PolarHBondContact OD1-OH 2.79Å; L188-Y392 HydrophobicContact CD1-CD1 3.5Å; L188-Y392 VanDerWaalsContact CD1-CD1 3.5Å; L188-Y392 HydrophobicContact CD1-CE1 3.94Å; L188-Y392 HydrophobicContact CD1-CG 3.89Å; L188-Y392 HydrophobicContact CD2-CD1 3.75Å; L188-Y392 HydrophobicContact CD2-CD2 3.58Å; L188-Y392 HydrophobicContact CD2-CE1 3.72Å; L188-Y392 HydrophobicContact CD2-CE2 3.55Å; L188-Y392 HydrophobicContact CD2-CG 3.68Å; L188-Y392 HydrophobicContact CG-CD1 4.29Å; L188-Y392 HydrophobicContact CG-CE1 4.47Å; L188-Y392 HydrophobicContact CG-CG 4.42Å; E208-Y392 HydrophobicContact CB-CD2 4.21Å; E208-Y392 HydrophobicContact CG-CD2 4.32Å; E208-Y392 HydrophobicContact CG-CE2 4.48Å; E208-Y392 WeakPolarHBondContact OE2-CE2 3.47Å; L209-Y392 PolarHBondContact O-N 3.31Å; T211-Y392 PolarHBondContact N-O 2.77Å; Y392-L394 PolarHBondContact O-N 3.46Å; Y392-L394 VanDerWaalsContact O-N 3.07Å; Y392-Y422 AromaticContact CD1-CD1 3.55Å; Y392-Y422 HydrophobicContact CD1-CD1 3.55Å; Y392-Y422 HydrophobicContact CD1-CD2 4.33Å; Y392-Y422 AromaticContact CD1-CE1 3.55Å; Y392-Y422 HydrophobicContact CD1-CE1 3.55Å; Y392-Y422 HydrophobicContact CD1-CE2 4.34Å; Y392-Y422 AromaticContact CD1-CG 3.95Å; Y392-Y422 HydrophobicContact CD1-CG 3.95Å; Y392-Y422 AromaticContact CD1-CZ 3.96Å; Y392-Y422 AromaticContact CE1-CD1 3.87Å; Y392-Y422 HydrophobicContact CE1-CD1 3.87Å; Y392-Y422 HydrophobicContact CE1-CE1 4.14Å; Y392-Y422 HydrophobicContact CE1-CG 4.44Å
393	S	98.5	Very high	95	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	109.8	178.3	-173	0	0	0	0	109.7	T211 L212 F395 L396 V397 Y422	T211-S393 VanDerWaalsContact O-CA 3.31Å; T211-S393 WeakPolarHBondContact O-CA 3.14Å; L212-S393 PolarHBondContact O-OG 3.3Å; L212-S393 VanDerWaalsContact O-OG 3.05Å; S393-F395 PolarHBondContact O-N 3.18Å; S393-L396 PolarHBondContact O-N 3.04Å; S393-V397 PolarHBondContact O-N 3.13Å; S393-Y422 PolarHBondContact N-OH 3.34Å
394	L	98.8	Very high	95.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.4	-36.1	177.1	-178.5	61.5	0	0	0	110.9	L132 V137 A140 F141 F170 F204 W210 T211 Y392 A398	L132-L394 HydrophobicContact CD1-CB 4.17Å; L132-L394 HydrophobicContact CD1-CD2 3.92Å; V137-L394 HydrophobicContact CB-CD2 4.28Å; V137-L394 HydrophobicContact CG1-CD2 4.02Å; V137-L394 HydrophobicContact CG2-CD2 4.07Å; A140-L394 HydrophobicContact CB-CB 4.41Å; A140-L394 HydrophobicContact CB-CD2 4.15Å; A140-L394 HydrophobicContact CB-CG 4.23Å; F141-L394 HydrophobicContact CE1-CD1 3.68Å; F141-L394 HydrophobicContact CE1-CD2 4.16Å; F141-L394 HydrophobicContact CE1-CG 3.95Å; F141-L394 HydrophobicContact CZ-CD1 3.96Å; F141-L394 HydrophobicContact CZ-CD2 4.07Å; F141-L394 HydrophobicContact CZ-CG 4.3Å; F170-L394 HydrophobicContact CE1-CD1 4.08Å; F170-L394 HydrophobicContact CZ-CD1 3.76Å; F170-L394 HydrophobicContact CZ-CD2 4.04Å; F204-L394 HydrophobicContact CD1-CD1 3.83Å; F204-L394 HydrophobicContact CE1-CD1 3.97Å; F204-L394 HydrophobicContact CG-CD1 4.41Å; W210-L394 HydrophobicContact CD2-CD1 4.09Å; W210-L394 HydrophobicContact CE3-CB 3.98Å; W210-L394 HydrophobicContact CE3-CD1 3.74Å; W210-L394 HydrophobicContact CE3-CG 4.48Å; W210-L394 HydrophobicContact CZ3-CD1 4.1Å; T211-L394 PolarHBondContact O-N 3.32Å; Y392-L394 PolarHBondContact O-N 3.46Å; Y392-L394 VanDerWaalsContact O-N 3.07Å; L394-A398 WeakPolarHBondContact O-CB 3.41Å; L394-A398 PolarHBondContact O-N 2.88Å
395	F	98.8	Very high	95.5	Very high	28 Å²	28	16.1 Å²	16.1	12%	0.123	8%	0.084	C	C	.	.	H	α-helix	trans	-59.4	-48.8	174.9	164.4	-107	0	0	0	112.9	A140 R143 A144 V147 S393 A399 F428	A140-F395 HydrophobicContact CB-CB 4.41Å; R143-F395 HydrophobicContact CB-CD2 3.76Å; R143-F395 HydrophobicContact CB-CE2 3.73Å; A144-F395 HydrophobicContact CB-CD2 4.26Å; V147-F395 HydrophobicContact CG2-CE2 4Å; V147-F395 HydrophobicContact CG2-CZ 3.95Å; S393-F395 PolarHBondContact O-N 3.18Å; F395-A399 VanDerWaalsContact O-CB 3.28Å; F395-A399 WeakPolarHBondContact O-CB 3.26Å; F395-A399 PolarHBondContact O-N 2.98Å; F395-F428 HydrophobicContact CE1-CB 4.11Å; F395-F428 AromaticContact CE1-CD1 3.99Å; F395-F428 HydrophobicContact CE1-CD1 3.99Å; F395-F428 HydrophobicContact CE1-CG 4.24Å; F395-F428 AromaticContact CZ-CD1 3.93Å; F395-F428 HydrophobicContact CZ-CD1 3.93Å
396	L	98.8	Very high	95.9	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.052	8%	0.084	C	C	.	.	H	α-helix	trans	-70.9	-45.2	-177.1	-66.5	176.9	0	0	0	111.7	S393 A399 H400 Y422 Y424 F428	S393-L396 PolarHBondContact O-N 3.04Å; L396-A399 PolarHBondContact O-N 2.83Å; L396-H400 PolarHBondContact O-N 3.18Å; L396-H400 VanDerWaalsContact O-N 3.08Å; L396-Y422 HydrophobicContact CB-CE2 4.34Å; L396-Y422 HydrophobicContact CD1-CE2 4.4Å; L396-Y424 HydrophobicContact CD1-CD2 3.83Å; L396-Y424 HydrophobicContact CD1-CE2 4.35Å; L396-F428 HydrophobicContact CD2-CB 3.76Å; L396-F428 HydrophobicContact CD2-CD1 4.45Å; L396-F428 HydrophobicContact CD2-CD2 3.69Å; L396-F428 HydrophobicContact CD2-CE2 4.48Å; L396-F428 HydrophobicContact CD2-CG 3.68Å
397	V	98.8	Very high	96.1	Very high	8 Å²	8	15.8 Å²	15.8	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-64.3	-44.6	179	-178.9	0	0	0	0	109.8	L188 A189 F204 W210 S393 A399 H400 E401 Y422	L188-V397 HydrophobicContact CB-CG1 4.21Å; L188-V397 HydrophobicContact CB-CG2 4.49Å; L188-V397 HydrophobicContact CD1-CG2 3.94Å; A189-V397 HydrophobicContact CB-CG1 3.55Å; F204-V397 HydrophobicContact CD1-CG1 4.17Å; F204-V397 HydrophobicContact CE1-CB 4.49Å; F204-V397 HydrophobicContact CE1-CG1 4.04Å; W210-V397 HydrophobicContact CH2-CB 4.16Å; W210-V397 HydrophobicContact CH2-CG1 3.89Å; W210-V397 HydrophobicContact CH2-CG2 4.29Å; W210-V397 HydrophobicContact CZ3-CB 3.82Å; W210-V397 HydrophobicContact CZ3-CG1 4.09Å; W210-V397 HydrophobicContact CZ3-CG2 3.84Å; S393-V397 PolarHBondContact O-N 3.13Å; V397-A399 VanDerWaalsContact C-N 3.34Å; V397-A399 PolarHBondContact O-N 3.11Å; V397-H400 WeakPolarHBondContact O-CB 3.33Å; V397-H400 PolarHBondContact O-N 3.48Å; V397-E401 HydrophobicContact CG1-CG 4.28Å; V397-E401 WeakPolarHBondContact O-CG 3.29Å; V397-E401 PolarHBondContact O-N 3.15Å; V397-Y422 HydrophobicContact CG2-CD2 3.85Å; V397-Y422 HydrophobicContact CG2-CE2 3.98Å
398	A	98.9	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.7	-38.5	176.4	0	0	0	0	0	112.9	F141 A144 F204 L394 H400 E401 F402	F141-A398 HydrophobicContact CD1-CB 3.54Å; F141-A398 HydrophobicContact CE1-CB 3.73Å; A144-A398 HydrophobicContact CB-CB 3.79Å; F204-A398 HydrophobicContact CE1-CB 3.83Å; F204-A398 HydrophobicContact CZ-CB 3.7Å; L394-A398 WeakPolarHBondContact O-CB 3.41Å; L394-A398 PolarHBondContact O-N 2.88Å; A398-H400 VanDerWaalsContact C-N 3.27Å; A398-H400 PolarHBondContact O-N 3.4Å; A398-E401 PolarHBondContact O-N 2.92Å; A398-F402 HydrophobicContact CB-CD2 4.46Å; A398-F402 HydrophobicContact CB-CE2 3.96Å; A398-F402 HydrophobicContact CB-CZ 4.01Å; A398-F402 VanDerWaalsContact O-CB 3.31Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 WeakPolarHBondContact O-CD1 3.39Å; A398-F402 VanDerWaalsContact O-CD2 3.25Å; A398-F402 WeakPolarHBondContact O-CD2 3.47Å; A398-F402 WeakPolarHBondContact O-CG 3.36Å; A398-F402 PolarHBondContact O-N 3.33Å
399	A	98.8	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-41.4	176.2	0	0	0	0	0	111	A144 V147 W148 F395 L396 V397 G403 L417	A144-A399 HydrophobicContact CB-CB 3.97Å; V147-A399 HydrophobicContact CG2-CB 4.34Å; W148-A399 WeakPolarHBondContact CZ2-O 3.33Å; W148-A399 PolarHBondContact NE1-O 3.12Å; F395-A399 VanDerWaalsContact O-CB 3.28Å; F395-A399 WeakPolarHBondContact O-CB 3.26Å; F395-A399 PolarHBondContact O-N 2.98Å; L396-A399 PolarHBondContact O-N 2.83Å; V397-A399 VanDerWaalsContact C-N 3.34Å; V397-A399 PolarHBondContact O-N 3.11Å; A399-G403 PolarHBondContact O-N 2.83Å; A399-L417 HydrophobicContact CB-CD1 4.27Å; A399-L417 HydrophobicContact CB-CD2 3.7Å
400	H	98.8	Very high	97	Very high	13 Å²	13	15.6 Å²	15.6	6%	0.06	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-53.2	174.5	-178.4	104.8	0	0	0	111.9	C99 L396 V397 A398 F402 G403 H404 H410 L417 A419	C99-H400 WeakPolarHBondContact CB-NE2 3.38Å; L396-H400 PolarHBondContact O-N 3.18Å; L396-H400 VanDerWaalsContact O-N 3.08Å; V397-H400 WeakPolarHBondContact O-CB 3.33Å; V397-H400 PolarHBondContact O-N 3.48Å; A398-H400 VanDerWaalsContact C-N 3.27Å; A398-H400 PolarHBondContact O-N 3.4Å; H400-F402 VanDerWaalsContact C-N 3.26Å; H400-F402 PolarHBondContact O-N 3.22Å; H400-G403 WeakPolarHBondContact O-CA 3.46Å; H400-G403 PolarHBondContact O-N 3.03Å; H400-H404 AromaticContact CD2-CD2 3.69Å; H400-H404 AromaticContact CD2-NE2 3.75Å; H400-H404 AromaticContact NE2-CD2 3.68Å; H400-H404 AromaticContact NE2-NE2 3.22Å; H400-H404 PolarHBondContact NE2-NE2 2.85Å; H400-H404 PolarHBondContact O-N 2.78Å; H400-H410 AromaticContact CE1-CD2 3.61Å; H400-H410 AromaticContact CE1-NE2 3.79Å; H400-H410 AromaticContact NE2-CD2 3.52Å; H400-H410 AromaticContact NE2-NE2 3.33Å; H400-H410 PolarHBondContact NE2-NE2 3.17Å; H400-L417 HydrophobicContact CB-CD1 4.11Å; H400-L417 HydrophobicContact CB-CG 4.34Å; H400-L417 PolarHBondContact ND1-O 2.97Å; H400-A419 PolarHBondContact CE1-O 2.63Å; H400-A419 PolarHBondContact ND1-O 3.1Å
401	E	98.8	Very high	97.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-61.4	-35.2	-179.9	-63.7	-43.4	141.2	0	0	112.4	C99 A189 H190 A191 F204 V397 A398 G403 H404 A405	C99-E401 PolarHBondContact SG-OE1 3.5Å; A189-E401 HydrophobicContact CB-CG 3.57Å; H190-E401 WeakPolarHBondContact CA-OE2 3.46Å; A191-E401 HydrophobicContact CB-CB 3.92Å; A191-E401 VanDerWaalsContact CB-O 3.3Å; A191-E401 WeakPolarHBondContact CB-O 3.39Å; A191-E401 PolarHBondContact N-OE2 3.36Å; F204-E401 HydrophobicContact CE1-CG 4.27Å; F204-E401 HydrophobicContact CZ-CB 4.36Å; F204-E401 HydrophobicContact CZ-CG 4.34Å; V397-E401 HydrophobicContact CG1-CG 4.28Å; V397-E401 WeakPolarHBondContact O-CG 3.29Å; V397-E401 PolarHBondContact O-N 3.15Å; A398-E401 PolarHBondContact O-N 2.92Å; E401-G403 VanDerWaalsContact C-N 3.27Å; E401-G403 PolarHBondContact O-N 3.33Å; E401-H404 WeakPolarHBondContact O-CB 3.34Å; E401-H404 PolarHBondContact O-N 3.27Å; E401-H404 VanDerWaalsContact O-N 3.13Å; E401-H404 IonicContact OE2-CD2 3.19Å; E401-A405 PolarHBondContact O-N 3.11Å
402	F	98.8	Very high	97	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.9	-27.1	174.1	-61.8	-18.2	0	0	0	112.4	F141 A144 F145 I168 A398 H400 H404 A405 M406	F141-F402 HydrophobicContact CB-CE2 4.23Å; F141-F402 HydrophobicContact CB-CZ 4.18Å; F141-F402 HydrophobicContact CD1-CE2 4.15Å; F141-F402 AromaticContact CD1-CZ 3.67Å; F141-F402 HydrophobicContact CD1-CZ 3.67Å; F141-F402 HydrophobicContact CE1-CZ 4.38Å; F141-F402 HydrophobicContact CG-CZ 4.17Å; A144-F402 HydrophobicContact CB-CD2 3.68Å; A144-F402 HydrophobicContact CB-CE2 3.64Å; F145-F402 HydrophobicContact CD1-CB 4.26Å; F145-F402 AromaticContact CD1-CD2 3.61Å; F145-F402 HydrophobicContact CD1-CD2 3.61Å; F145-F402 HydrophobicContact CD1-CE2 4.11Å; F145-F402 AromaticContact CD1-CG 3.97Å; F145-F402 HydrophobicContact CD1-CG 3.97Å; F145-F402 AromaticContact CD2-CD2 3.95Å; F145-F402 HydrophobicContact CD2-CD2 3.95Å; F145-F402 AromaticContact CD2-CE2 3.59Å; F145-F402 HydrophobicContact CD2-CE2 3.59Å; F145-F402 HydrophobicContact CD2-CZ 4.21Å; F145-F402 HydrophobicContact CE1-CB 4.05Å; F145-F402 AromaticContact CE1-CD1 3.92Å; F145-F402 HydrophobicContact CE1-CD1 3.92Å; F145-F402 AromaticContact CE1-CD2 3.58Å; F145-F402 HydrophobicContact CE1-CD2 3.58Å; F145-F402 HydrophobicContact CE1-CE1 4.28Å; F145-F402 AromaticContact CE1-CE2 3.96Å; F145-F402 HydrophobicContact CE1-CE2 3.96Å; F145-F402 AromaticContact CE1-CG 3.57Å; F145-F402 HydrophobicContact CE1-CG 3.57Å; F145-F402 HydrophobicContact CE1-CZ 4.3Å; F145-F402 AromaticContact CE2-CD2 3.93Å; F145-F402 HydrophobicContact CE2-CD2 3.93Å; F145-F402 HydrophobicContact CE2-CE1 4.17Å; F145-F402 AromaticContact CE2-CE2 3.42Å; F145-F402 HydrophobicContact CE2-CE2 3.42Å; F145-F402 VanDerWaalsContact CE2-CE2 3.42Å; F145-F402 HydrophobicContact CE2-CG 4.5Å; F145-F402 AromaticContact CE2-CZ 3.57Å; F145-F402 HydrophobicContact CE2-CZ 3.57Å; F145-F402 AromaticContact CG-CD2 3.79Å; F145-F402 HydrophobicContact CG-CD2 3.79Å; F145-F402 AromaticContact CG-CE2 3.93Å; F145-F402 HydrophobicContact CG-CE2 3.93Å; F145-F402 AromaticContact CZ-CD1 3.85Å; F145-F402 HydrophobicContact CZ-CD1 3.85Å; F145-F402 AromaticContact CZ-CD2 3.75Å; F145-F402 HydrophobicContact CZ-CD2 3.75Å; F145-F402 AromaticContact CZ-CE1 3.74Å; F145-F402 HydrophobicContact CZ-CE1 3.74Å; F145-F402 AromaticContact CZ-CE2 3.62Å; F145-F402 HydrophobicContact CZ-CE2 3.62Å; F145-F402 AromaticContact CZ-CG 3.88Å; F145-F402 HydrophobicContact CZ-CG 3.88Å; F145-F402 AromaticContact CZ-CZ 3.62Å; F145-F402 HydrophobicContact CZ-CZ 3.62Å; I168-F402 HydrophobicContact CD1-CE1 3.9Å; I168-F402 HydrophobicContact CD1-CZ 3.65Å; I168-F402 HydrophobicContact CG1-CE1 4.13Å; I168-F402 HydrophobicContact CG1-CZ 4.35Å; A398-F402 HydrophobicContact CB-CD2 4.46Å; A398-F402 HydrophobicContact CB-CE2 3.96Å; A398-F402 HydrophobicContact CB-CZ 4.01Å; A398-F402 VanDerWaalsContact O-CB 3.31Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 WeakPolarHBondContact O-CD1 3.39Å; A398-F402 VanDerWaalsContact O-CD2 3.25Å; A398-F402 WeakPolarHBondContact O-CD2 3.47Å; A398-F402 WeakPolarHBondContact O-CG 3.36Å; A398-F402 PolarHBondContact O-N 3.33Å; H400-F402 VanDerWaalsContact C-N 3.26Å; H400-F402 PolarHBondContact O-N 3.22Å; F402-H404 VanDerWaalsContact C-N 3.34Å; F402-A405 PolarHBondContact O-N 2.71Å; F402-M406 WeakPolarHBondContact O-CE 3.39Å; F402-M406 VanDerWaalsContact O-CG 3.29Å; F402-M406 WeakPolarHBondContact O-CG 3.38Å; F402-M406 PolarHBondContact O-N 3.16Å
403	G	98.1	Very high	96.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-44.6	168.4	0	0	0	0	0	111.5	W148 A399 H400 E401 M406 G407 L408	W148-G403 VanDerWaalsContact CZ2-CA 3.41Å; A399-G403 PolarHBondContact O-N 2.83Å; H400-G403 WeakPolarHBondContact O-CA 3.46Å; H400-G403 PolarHBondContact O-N 3.03Å; E401-G403 VanDerWaalsContact C-N 3.27Å; E401-G403 PolarHBondContact O-N 3.33Å; G403-M406 CarbonylContact O-C 3.6Å; G403-M406 PolarHBondContact O-N 3.33Å; G403-M406 VanDerWaalsContact O-N 3.11Å; G403-G407 PolarHBondContact O-N 3.22Å; G403-L408 WeakPolarHBondContact O-CB 3.29Å; G403-L408 PolarHBondContact O-N 3.11Å
404	H	97.6	Very high	96.5	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.023	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-44.6	172.1	-72.6	-52.4	0	0	0	112.8	N101 A191 H400 E401 F402 M406 G407 L408 H410	N101-H404 PolarHBondContact ND2-CD2 2.81Å; N101-H404 VanDerWaalsContact ND2-CG 3.28Å; N101-H404 PolarHBondContact ND2-NE2 3.13Å; A191-H404 HydrophobicContact CB-CB 4Å; H400-H404 AromaticContact CD2-CD2 3.69Å; H400-H404 AromaticContact CD2-NE2 3.75Å; H400-H404 AromaticContact NE2-CD2 3.68Å; H400-H404 AromaticContact NE2-NE2 3.22Å; H400-H404 PolarHBondContact NE2-NE2 2.85Å; H400-H404 PolarHBondContact O-N 2.78Å; E401-H404 WeakPolarHBondContact O-CB 3.34Å; E401-H404 PolarHBondContact O-N 3.27Å; E401-H404 VanDerWaalsContact O-N 3.13Å; E401-H404 IonicContact OE2-CD2 3.19Å; F402-H404 VanDerWaalsContact C-N 3.34Å; H404-M406 PolarHBondContact O-N 3.36Å; H404-M406 VanDerWaalsContact O-N 3.12Å; H404-G407 WeakPolarHBondContact O-CA 3.38Å; H404-G407 PolarHBondContact O-N 2.89Å; H404-L408 WeakPolarHBondContact CA-O 3.41Å; H404-L408 PolarHBondContact ND1-O 3.46Å; H404-H410 AromaticContact CE1-CD2 3.69Å; H404-H410 AromaticContact CE1-NE2 3.88Å; H404-H410 AromaticContact NE2-CD2 3.55Å; H404-H410 AromaticContact NE2-NE2 3.37Å; H404-H410 PolarHBondContact NE2-NE2 3.43Å
405	A	97.7	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-18	175.1	0	0	0	0	0	113.1	W116 I166 P194 G200 E401 F402	W116-A405 PolarHBondContact NE1-O 3.04Å; I166-A405 HydrophobicContact CD1-CB 4.13Å; I166-A405 HydrophobicContact CG1-CB 4.37Å; P194-A405 WeakPolarHBondContact CG-O 3.33Å; G200-A405 VanDerWaalsContact O-CB 3.26Å; G200-A405 WeakPolarHBondContact O-CB 3.48Å; E401-A405 PolarHBondContact O-N 3.11Å; F402-A405 PolarHBondContact O-N 2.71Å
406	M	96.4	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.8	170.2	-65.2	-34.9	103.4	0	0	113.4	F145 L154 F156 I166 F402 G403 H404 I438 Y442	F145-M406 HydrophobicContact CE1-CE 4.39Å; L154-M406 HydrophobicContact CD1-CG 4.14Å; L154-M406 HydrophobicContact CD1-SD 4.1Å; F156-M406 HydrophobicContact CE1-CE 3.72Å; F156-M406 HydrophobicContact CE1-SD 3.61Å; F156-M406 HydrophobicContact CZ-CE 4.18Å; F156-M406 HydrophobicContact CZ-CG 4.34Å; F156-M406 HydrophobicContact CZ-SD 3.71Å; I166-M406 HydrophobicContact CD1-CE 3.32Å; F402-M406 WeakPolarHBondContact O-CE 3.39Å; F402-M406 VanDerWaalsContact O-CG 3.29Å; F402-M406 WeakPolarHBondContact O-CG 3.38Å; F402-M406 PolarHBondContact O-N 3.16Å; G403-M406 CarbonylContact O-C 3.6Å; G403-M406 PolarHBondContact O-N 3.33Å; G403-M406 VanDerWaalsContact O-N 3.11Å; H404-M406 PolarHBondContact O-N 3.36Å; H404-M406 VanDerWaalsContact O-N 3.12Å; M406-I438 HydrophobicContact CB-CD1 3.61Å; M406-I438 HydrophobicContact CG-CD1 4.14Å; M406-Y442 HydrophobicContact CB-CE2 3.97Å; M406-Y442 VanDerWaalsContact O-CE2 3.23Å; M406-Y442 WeakPolarHBondContact O-CE2 3.33Å; M406-Y442 PolarHBondContact O-OH 3.36Å
407	G	93.8	Very high	95.9	Very high	8 Å²	8	18.7 Å²	18.7	8%	0.082	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	13.2	177.3	0	0	0	0	0	114.7	P114 P194 G403 H404	P114-G407 WeakPolarHBondContact O-CA 3.38Å; P194-G407 VanDerWaalsContact CD-CA 3.42Å; P194-G407 VanDerWaalsContact CD-N 3.31Å; G403-G407 PolarHBondContact O-N 3.22Å; H404-G407 WeakPolarHBondContact O-CA 3.38Å; H404-G407 PolarHBondContact O-N 2.89Å
408	L	94.2	Very high	95.9	Very high	14 Å²	14	18.5 Å²	18.5	7%	0.073	10%	0.1	C	C	.	.			trans	-74.6	149.9	167.3	-59.5	179.1	0	0	0	110.7	W148 G403 H404 M418 G437 I438 L441	W148-L408 HydrophobicContact CE3-CD1 4.26Å; W148-L408 HydrophobicContact CH2-CD1 3.34Å; W148-L408 HydrophobicContact CZ2-CD1 4.12Å; W148-L408 HydrophobicContact CZ3-CD1 3.42Å; W148-L408 VanDerWaalsContact CZ3-CD1 3.42Å; G403-L408 WeakPolarHBondContact O-CB 3.29Å; G403-L408 PolarHBondContact O-N 3.11Å; H404-L408 WeakPolarHBondContact CA-O 3.41Å; H404-L408 PolarHBondContact ND1-O 3.46Å; L408-M418 HydrophobicContact CB-CE 4.05Å; L408-M418 HydrophobicContact CB-CG 4.19Å; L408-M418 HydrophobicContact CB-SD 4.33Å; L408-M418 HydrophobicContact CD1-CG 3.9Å; L408-M418 HydrophobicContact CD1-SD 4.24Å; L408-G437 VanDerWaalsContact CD2-C 3.43Å; L408-I438 HydrophobicContact CD1-CB 4.16Å; L408-I438 HydrophobicContact CD1-CD1 3.99Å; L408-I438 HydrophobicContact CD2-CB 4.35Å; L408-I438 HydrophobicContact CD2-CD1 4.24Å; L408-I438 HydrophobicContact CG-CD1 3.99Å; L408-L441 HydrophobicContact CD2-CD1 3.83Å
409	E	93.1	Very high	95.8	Very high	74 Å²	74	19.2 Å²	19.2	35%	0.346	11%	0.106	S	C	.	.			trans	-108.5	170.9	174.4	-61.8	-67.9	161.8	0	0	109.1	Y107 S411	Y107-E409 WeakPolarHBondContact CD2-OE1 3.38Å; E409-S411 PolarHBondContact O-N 3.05Å
410	H	95.2	Very high	95.6	Very high	21 Å²	21	19.5 Å²	19.5	10%	0.097	11%	0.107	C	C	.	.			trans	-59.3	139.1	175.2	-74	143.6	0	0	0	112.3	F77 R98 C99 N101 P102 D103 H400 H404 M418	F77-H410 HydrophobicContact CZ-CB 3.96Å; R98-H410 PolarHBondContact NH2-CE1 3.37Å; C99-H410 WeakPolarHBondContact CB-NE2 3.39Å; N101-H410 PolarHBondContact O-CE1 3.23Å; N101-H410 VanDerWaalsContact O-CE1 3.23Å; P102-H410 PolarHBondContact O-ND1 2.86Å; D103-H410 IonicContact OD1-CE1 3.19Å; D103-H410 IonicContact OD1-CG 3.49Å; D103-H410 IonicContact OD1-ND1 2.74Å; D103-H410 PolarHBondContact OD1-ND1 3.36Å; H400-H410 AromaticContact CE1-CD2 3.61Å; H400-H410 AromaticContact CE1-NE2 3.79Å; H400-H410 AromaticContact NE2-CD2 3.52Å; H400-H410 AromaticContact NE2-NE2 3.33Å; H400-H410 PolarHBondContact NE2-NE2 3.17Å; H404-H410 AromaticContact CE1-CD2 3.69Å; H404-H410 AromaticContact CE1-NE2 3.88Å; H404-H410 AromaticContact NE2-CD2 3.55Å; H404-H410 AromaticContact NE2-NE2 3.37Å; H404-H410 PolarHBondContact NE2-NE2 3.43Å; H410-M418 CarbonylContact C-O 3.59Å; H410-M418 VanDerWaalsContact CA-O 3.27Å; H410-M418 WeakPolarHBondContact CA-O 3.47Å; H410-M418 PolarHBondContact CD2-O 2.96Å
411	S	94.4	Very high	95.5	Very high	14 Å²	14	20.2 Å²	20.2	10%	0.098	11%	0.111	C	C	.	.			trans	-94.8	145.2	174	-175.6	0	0	0	0	111.5	F77 E409 D413 M418 D433	F77-S411 WeakPolarHBondContact CZ-O 3.33Å; E409-S411 PolarHBondContact O-N 3.05Å; S411-D413 VanDerWaalsContact C-N 3.28Å; S411-D413 WeakPolarHBondContact OG-CB 3.17Å; S411-D413 PolarHBondContact OG-N 2.96Å; S411-M418 PolarHBondContact N-O 3.37Å; S411-D433 VanDerWaalsContact CB-OD2 3.29Å; S411-D433 WeakPolarHBondContact CB-OD2 3.42Å; S411-D433 PolarHBondContact OG-OD2 2.92Å
412	E	92.6	Very high	95.5	Very high	120 Å²	120	22.2 Å²	22.2	56%	0.561	12%	0.119	S	C	*	.	S	Bend	trans	-80.7	-10.2	168.5	-66.1	-178.6	-178.5	0	0	111.7	F77 P414	F77-E412 HydrophobicContact CD2-CG 3.62Å; F77-E412 HydrophobicContact CE2-CG 3.65Å; F77-E412 HydrophobicContact CG-CG 4.14Å; F77-E412 HydrophobicContact CZ-CG 4.15Å; E412-P414 VanDerWaalsContact O-CD 3.28Å; E412-P414 WeakPolarHBondContact O-CD 3.34Å
413	D	92.3	Very high	95.2	Very high	30 Å²	30	23.9 Å²	23.9	16%	0.16	13%	0.129	C	C	.	.			trans	-75.4	115.3	177.8	-177.1	-6.8	0	0	0	110.7	S411 G415 A416 D433 T468	S411-D413 VanDerWaalsContact C-N 3.28Å; S411-D413 WeakPolarHBondContact OG-CB 3.17Å; S411-D413 PolarHBondContact OG-N 2.96Å; D413-G415 PolarHBondContact O-N 3.3Å; D413-G415 PolarHBondContact OD1-N 3.25Å; D413-A416 HydrophobicContact CB-CB 3.96Å; D413-A416 WeakPolarHBondContact O-CB 3.39Å; D413-A416 PolarHBondContact O-N 3.44Å; D413-D433 HydrophobicContact CB-CB 4.33Å; D413-T468 VanDerWaalsContact OD1-CB 3.26Å; D413-T468 WeakPolarHBondContact OD1-CB 3.49Å; D413-T468 WeakPolarHBondContact OD1-CG2 3.13Å; D413-T468 PolarHBondContact OD1-OG1 3.23Å; D413-T468 PolarHBondContact OD2-OG1 3.04Å
414	P	91.4	Very high	95	Very high	50 Å²	50	25.7 Å²	25.7	33%	0.325	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.5	180	-23	35.8	0	0	0	114.6	E412 P509 L511	E412-P414 VanDerWaalsContact O-CD 3.28Å; E412-P414 WeakPolarHBondContact O-CD 3.34Å; P414-P509 HydrophobicContact CG-CG 4.2Å; P414-P509 WeakPolarHBondContact CG-O 3.27Å; P414-L511 WeakPolarHBondContact O-CD1 3.34Å
415	G	92.5	Very high	94.7	Very high	7 Å²	7	26.8 Å²	26.8	7%	0.072	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.6	177.4	0	0	0	0	0	114.6	D413 S431	D413-G415 PolarHBondContact O-N 3.3Å; D413-G415 PolarHBondContact OD1-N 3.25Å; G415-S431 WeakPolarHBondContact O-CB 3.29Å
416	A	95.4	Very high	94.2	Very high	8 Å²	8	31.6 Å²	31.6	7%	0.066	16%	0.164	C	C	.	.	S	Bend	trans	-76.9	143.6	-179.9	0	0	0	0	0	111.6	D413 M418 A419 S431 D433 D434	D413-A416 HydrophobicContact CB-CB 3.96Å; D413-A416 WeakPolarHBondContact O-CB 3.39Å; D413-A416 PolarHBondContact O-N 3.44Å; A416-M418 PolarHBondContact O-N 3.33Å; A416-A419 VanDerWaalsContact O-CB 3.27Å; A416-A419 WeakPolarHBondContact O-CB 3.42Å; A416-A419 PolarHBondContact O-N 3.19Å; A416-S431 WeakPolarHBondContact CA-OG 3.45Å; A416-D433 HydrophobicContact CB-CB 4.42Å; A416-D434 WeakPolarHBondContact CA-OD2 3.33Å; A416-D434 WeakPolarHBondContact CB-OD1 3.39Å
417	L	97.4	Very high	93.8	Very high	20 Å²	20	36.5 Å²	36.5	11%	0.105	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.8	168.5	173.7	61.9	0	0	0	109.7	V147 W148 A399 H400 A419 F428 L430 D434	V147-L417 HydrophobicContact CG1-CD2 4.26Å; W148-L417 HydrophobicContact CH2-CD2 4.09Å; W148-L417 HydrophobicContact CZ2-CD2 3.61Å; A399-L417 HydrophobicContact CB-CD1 4.27Å; A399-L417 HydrophobicContact CB-CD2 3.7Å; H400-L417 HydrophobicContact CB-CD1 4.11Å; H400-L417 HydrophobicContact CB-CG 4.34Å; H400-L417 PolarHBondContact ND1-O 2.97Å; L417-A419 PolarHBondContact O-N 2.74Å; L417-A419 VanDerWaalsContact O-N 3.16Å; L417-F428 HydrophobicContact CB-CE2 3.94Å; L417-F428 HydrophobicContact CB-CZ 3.95Å; L417-F428 HydrophobicContact CD1-CE2 3.83Å; L417-F428 HydrophobicContact CD1-CZ 4.03Å; L417-F428 HydrophobicContact CD2-CE2 4.35Å; L417-F428 HydrophobicContact CD2-CZ 3.72Å; L417-F428 HydrophobicContact CG-CE2 4.24Å; L417-F428 HydrophobicContact CG-CZ 4.1Å; L417-L430 HydrophobicContact CB-CD1 3.95Å; L417-L430 HydrophobicContact CD2-CD1 3.8Å; L417-D434 PolarHBondContact N-OD1 3.47Å; L417-D434 PolarHBondContact N-OD2 3.4Å
418	M	97.5	Very high	93.7	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.02	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	7.6	178.5	-61.8	-51.4	-58.2	0	0	113.9	W148 L408 H410 S411 A416 D434	W148-M418 HydrophobicContact CH2-CG 4.11Å; W148-M418 HydrophobicContact CH2-SD 4.01Å; W148-M418 HydrophobicContact CZ2-SD 3.91Å; L408-M418 HydrophobicContact CB-CE 4.05Å; L408-M418 HydrophobicContact CB-CG 4.19Å; L408-M418 HydrophobicContact CB-SD 4.33Å; L408-M418 HydrophobicContact CD1-CG 3.9Å; L408-M418 HydrophobicContact CD1-SD 4.24Å; H410-M418 CarbonylContact C-O 3.59Å; H410-M418 VanDerWaalsContact CA-O 3.27Å; H410-M418 WeakPolarHBondContact CA-O 3.47Å; H410-M418 PolarHBondContact CD2-O 2.96Å; S411-M418 PolarHBondContact N-O 3.37Å; A416-M418 PolarHBondContact O-N 3.33Å; M418-D434 WeakPolarHBondContact CB-OD1 3.4Å; M418-D434 WeakPolarHBondContact CG-OD1 3.41Å; M418-D434 PolarHBondContact N-OD1 3.12Å
419	A	96.3	Very high	93.5	Very high	15 Å²	15	43.4 Å²	43.4	12%	0.124	21%	0.214	C	C	.	.			trans	-65.9	137	166.9	0	0	0	0	0	109.7	H400 A416 L417 I421	H400-A419 PolarHBondContact CE1-O 2.63Å; H400-A419 PolarHBondContact ND1-O 3.1Å; A416-A419 VanDerWaalsContact O-CB 3.27Å; A416-A419 WeakPolarHBondContact O-CB 3.42Å; A416-A419 PolarHBondContact O-N 3.19Å; L417-A419 PolarHBondContact O-N 2.74Å; L417-A419 VanDerWaalsContact O-N 3.16Å; A419-I421 PolarHBondContact O-N 3.21Å
420	P	96.6	Very high	93.6	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.032	20%	0.202	C	C	.	.	S	Bend	trans	-69.2	-31	-170.2	24	-34.7	0	0	0	114	F77 F78 R98 C99 D103	F77-P420 HydrophobicContact CE1-CG 3.58Å; F77-P420 HydrophobicContact CZ-CG 4.17Å; F78-P420 HydrophobicContact CE1-CG 3.7Å; F78-P420 HydrophobicContact CZ-CG 3.75Å; R98-P420 CarbonylContact C-O 2.78Å; R98-P420 WeakPolarHBondContact CA-O 3.47Å; R98-P420 WeakPolarHBondContact CB-O 3.42Å; C99-P420 PolarHBondContact N-O 2.93Å; D103-P420 WeakPolarHBondContact OD1-CG 3.33Å
421	I	96.4	Very high	93.6	Very high	29 Å²	29	39.8 Å²	39.8	15%	0.149	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-80.3	128	-176.3	-68.1	174.4	0	0	0	109.8	F78 T93 K96 R98 A419 T423	F78-I421 HydrophobicContact CD1-CD1 3.7Å; F78-I421 HydrophobicContact CD1-CG1 4.48Å; F78-I421 HydrophobicContact CE1-CD1 3.35Å; F78-I421 HydrophobicContact CE1-CG1 3.69Å; F78-I421 HydrophobicContact CZ-CD1 4.12Å; F78-I421 HydrophobicContact CZ-CG1 4.28Å; T93-I421 HydrophobicContact CG2-CD1 3.64Å; K96-I421 HydrophobicContact CB-CD1 4.46Å; K96-I421 HydrophobicContact CB-CG2 3.8Å; K96-I421 HydrophobicContact CD-CD1 4.24Å; K96-I421 HydrophobicContact CD-CG2 3.83Å; K96-I421 HydrophobicContact CG-CG2 4.46Å; R98-I421 HydrophobicContact CB-CG1 4.49Å; A419-I421 PolarHBondContact O-N 3.21Å; I421-T423 PolarHBondContact O-N 3.36Å
422	Y	96.9	Very high	93.5	Very high	43 Å²	43	41.1 Å²	41.1	17%	0.169	20%	0.203	C	C	.	.			trans	-64.2	127	175.5	174.4	-97.6	0	0	0	111	P97 L188 Y392 S393 L396 V397	P97-Y422 PolarHBondContact O-N 2.99Å; L188-Y422 HydrophobicContact CD1-CD2 3.96Å; L188-Y422 HydrophobicContact CD1-CG 3.77Å; Y392-Y422 AromaticContact CD1-CD1 3.55Å; Y392-Y422 HydrophobicContact CD1-CD1 3.55Å; Y392-Y422 HydrophobicContact CD1-CD2 4.33Å; Y392-Y422 AromaticContact CD1-CE1 3.55Å; Y392-Y422 HydrophobicContact CD1-CE1 3.55Å; Y392-Y422 HydrophobicContact CD1-CE2 4.34Å; Y392-Y422 AromaticContact CD1-CG 3.95Å; Y392-Y422 HydrophobicContact CD1-CG 3.95Å; Y392-Y422 AromaticContact CD1-CZ 3.96Å; Y392-Y422 AromaticContact CE1-CD1 3.87Å; Y392-Y422 HydrophobicContact CE1-CD1 3.87Å; Y392-Y422 HydrophobicContact CE1-CE1 4.14Å; Y392-Y422 HydrophobicContact CE1-CG 4.44Å; S393-Y422 PolarHBondContact N-OH 3.34Å; L396-Y422 HydrophobicContact CB-CE2 4.34Å; L396-Y422 HydrophobicContact CD1-CE2 4.4Å; V397-Y422 HydrophobicContact CG2-CD2 3.85Å; V397-Y422 HydrophobicContact CG2-CE2 3.98Å
423	T	93.7	Very high	93.6	Very high	34 Å²	34	38.4 Å²	38.4	21%	0.209	19%	0.192	C	C	.	.			trans	-132.6	118.6	169.7	-62.2	0	0	0	0	108.8	I421 T425 L511 A513 T514	I421-T423 PolarHBondContact O-N 3.36Å; T423-T425 HydrophobicContact CG2-CG2 4.44Å; T423-T425 PolarHBondContact O-N 3.35Å; T423-L511 HydrophobicContact CG2-CB 4.16Å; T423-L511 HydrophobicContact CG2-CD1 3.83Å; T423-A513 HydrophobicContact CG2-CB 4.49Å; T423-T514 WeakPolarHBondContact CG2-OG1 3.48Å
424	Y	94.6	Very high	93.7	Very high	39 Å²	39	37.1 Å²	37.1	15%	0.153	19%	0.185	C	C	.	.			trans	-66.4	130	174.6	179.4	-113.4	0	0	0	110.6	G213 E214 L396 K426 A513 P517	G213-Y424 VanDerWaalsContact CA-CE2 3.45Å; E214-Y424 HydrophobicContact CG-CE1 3.75Å; E214-Y424 WeakPolarHBondContact CG-OH 3.27Å; E214-Y424 PolarHBondContact OE1-OH 3.32Å; L396-Y424 HydrophobicContact CD1-CD2 3.83Å; L396-Y424 HydrophobicContact CD1-CE2 4.35Å; Y424-K426 HydrophobicContact CE1-CB 4.15Å; Y424-A513 WeakPolarHBondContact O-CB 3.48Å; Y424-P517 HydrophobicContact CD1-CB 3.78Å; Y424-P517 HydrophobicContact CE1-CB 4.3Å
425	T	89.9	Confident	93.8	Very high	27 Å²	27	35 Å²	35	17%	0.166	17%	0.171	C	C	.	.			trans	-132.8	114.1	173.9	53.7	0	0	0	0	109.3	T423 N427 L511 A513	T423-T425 HydrophobicContact CG2-CG2 4.44Å; T423-T425 PolarHBondContact O-N 3.35Å; T425-N427 PolarHBondContact O-N 3.02Å; T425-L511 HydrophobicContact CG2-CD1 4.45Å; T425-A513 HydrophobicContact CG2-CB 4Å
426	K	87.1	Confident	93.8	Very high	101 Å²	101	40.1 Å²	40.1	44%	0.439	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-46	-178.3	-173.6	-179.2	-168.7	110.5	0	112.4	E214 Y424	E214-K426 WeakPolarHBondContact OE1-CD 3.3Å; E214-K426 WeakPolarHBondContact OE1-CE 3.46Å; E214-K426 WeakPolarHBondContact OE1-CG 3.18Å; E214-K426 IonicContact OE1-NZ 3.83Å; E214-K426 PolarHBondContact OE1-NZ 3.47Å; E214-K426 IonicContact OE2-NZ 2.8Å; E214-K426 PolarHBondContact OE2-NZ 3.03Å; Y424-K426 HydrophobicContact CE1-CB 4.15Å
427	N	87.8	Confident	93.6	Very high	103 Å²	103	40.8 Å²	40.8	55%	0.551	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	69.7	178.6	-60.7	-48.5	0	0	0	109.7	T425	T425-N427 PolarHBondContact O-N 3.02Å
428	F	91.8	Very high	93.4	Very high	45 Å²	45	39.9 Å²	39.9	20%	0.197	19%	0.194	C	C	.	.			trans	-60.4	137.4	-178.4	173	-102.5	0	0	0	112.3	V147 F395 L396 L417 L430	V147-F428 HydrophobicContact CG1-CE1 3.81Å; V147-F428 HydrophobicContact CG1-CZ 4.24Å; V147-F428 HydrophobicContact CG2-CD1 4.4Å; V147-F428 HydrophobicContact CG2-CE1 3.83Å; F395-F428 HydrophobicContact CE1-CB 4.11Å; F395-F428 AromaticContact CE1-CD1 3.99Å; F395-F428 HydrophobicContact CE1-CD1 3.99Å; F395-F428 HydrophobicContact CE1-CG 4.24Å; F395-F428 AromaticContact CZ-CD1 3.93Å; F395-F428 HydrophobicContact CZ-CD1 3.93Å; L396-F428 HydrophobicContact CD2-CB 3.76Å; L396-F428 HydrophobicContact CD2-CD1 4.45Å; L396-F428 HydrophobicContact CD2-CD2 3.69Å; L396-F428 HydrophobicContact CD2-CE2 4.48Å; L396-F428 HydrophobicContact CD2-CG 3.68Å; L417-F428 HydrophobicContact CB-CE2 3.94Å; L417-F428 HydrophobicContact CB-CZ 3.95Å; L417-F428 HydrophobicContact CD1-CE2 3.83Å; L417-F428 HydrophobicContact CD1-CZ 4.03Å; L417-F428 HydrophobicContact CD2-CE2 4.35Å; L417-F428 HydrophobicContact CD2-CZ 3.72Å; L417-F428 HydrophobicContact CG-CE2 4.24Å; L417-F428 HydrophobicContact CG-CZ 4.1Å; F428-L430 HydrophobicContact CZ-CB 4.33Å; F428-L430 HydrophobicContact CZ-CD1 4.01Å
429	R	91.5	Very high	93.1	Very high	123 Å²	123	41.1 Å²	41.1	46%	0.464	20%	0.2	S	C	.	.			trans	-143	132.2	168.4	-55.8	178.8	62.7	-159.4	-5	109.2	S431 P466 R494 E521	R429-S431 PolarHBondContact O-N 3.13Å; R429-P466 HydrophobicContact CB-CG 4.24Å; R429-R494 PolarHBondContact O-NH2 2.86Å; R429-E521 WeakPolarHBondContact CD-OE1 3.23Å; R429-E521 IonicContact NH1-OE2 3.94Å
430	L	94	Very high	92.8	Very high	16 Å²	16	46 Å²	46	8%	0.084	22%	0.221	C	C	.	.			trans	-59.3	129.4	177.2	-162.1	62.7	0	0	0	110.2	V147 W148 V151 L417 F428 D434 I435 P466	V147-L430 HydrophobicContact CG1-CB 4.29Å; V147-L430 HydrophobicContact CG1-CD1 3.68Å; V147-L430 HydrophobicContact CG1-CD2 3.96Å; V147-L430 HydrophobicContact CG1-CG 4.2Å; W148-L430 HydrophobicContact CE3-CD2 4.14Å; W148-L430 HydrophobicContact CH2-CD1 3.9Å; W148-L430 HydrophobicContact CZ3-CD1 3.93Å; W148-L430 HydrophobicContact CZ3-CD2 4.01Å; V151-L430 HydrophobicContact CG2-CD2 3.78Å; L417-L430 HydrophobicContact CB-CD1 3.95Å; L417-L430 HydrophobicContact CD2-CD1 3.8Å; F428-L430 HydrophobicContact CZ-CB 4.33Å; F428-L430 HydrophobicContact CZ-CD1 4.01Å; L430-D434 HydrophobicContact CD1-CB 3.47Å; L430-D434 VanDerWaalsContact CD1-CB 3.47Å; L430-D434 HydrophobicContact CD2-CB 4.4Å; L430-D434 HydrophobicContact CG-CB 3.71Å; L430-I435 HydrophobicContact CB-CG1 4.32Å; L430-I435 HydrophobicContact CD2-CG1 3.74Å; L430-I435 HydrophobicContact CG-CG1 3.96Å; L430-P466 WeakPolarHBondContact O-CD 3.44Å
431	S	94.8	Very high	92.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.225	C	C	.	.			trans	-71.8	161.8	-177.8	78.1	0	0	0	0	111	G415 A416 R429 D433 D434 I435	G415-S431 WeakPolarHBondContact O-CB 3.29Å; A416-S431 WeakPolarHBondContact CA-OG 3.45Å; R429-S431 PolarHBondContact O-N 3.13Å; S431-D433 PolarHBondContact O-N 3.44Å; S431-D433 PolarHBondContact OG-N 2.92Å; S431-D434 VanDerWaalsContact CB-OD2 3.28Å; S431-D434 WeakPolarHBondContact CB-OD2 3.16Å; S431-D434 PolarHBondContact N-OD2 2.87Å; S431-D434 VanDerWaalsContact N-OD2 3.1Å; S431-D434 PolarHBondContact O-N 2.96Å; S431-D434 PolarHBondContact OG-N 2.92Å; S431-D434 VanDerWaalsContact OG-N 3.1Å; S431-D434 PolarHBondContact OG-OD2 3.37Å; S431-I435 VanDerWaalsContact O-CG1 3.26Å; S431-I435 WeakPolarHBondContact O-CG1 3.36Å; S431-I435 PolarHBondContact O-N 3.28Å
432	Q	93.1	Very high	92.2	Very high	43 Å²	43	45.5 Å²	45.5	20%	0.201	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-27.9	173.4	-172.1	56	64.5	0	0	112.6	K436 P466 V467	Q432-K436 WeakPolarHBondContact O-CB 3.32Å; Q432-K436 PolarHBondContact O-N 3.12Å; Q432-P466 WeakPolarHBondContact CB-O 3.17Å; Q432-P466 PolarHBondContact N-O 3.2Å; Q432-V467 HydrophobicContact CB-CG2 3.82Å; Q432-V467 HydrophobicContact CG-CG2 4.11Å
433	D	94	Very high	91.2	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-47.9	176.1	-173.3	65.6	0	0	0	111	S411 D413 A416 S431 K436 G437	S411-D433 VanDerWaalsContact CB-OD2 3.29Å; S411-D433 WeakPolarHBondContact CB-OD2 3.42Å; S411-D433 PolarHBondContact OG-OD2 2.92Å; D413-D433 HydrophobicContact CB-CB 4.33Å; A416-D433 HydrophobicContact CB-CB 4.42Å; S431-D433 PolarHBondContact O-N 3.44Å; S431-D433 PolarHBondContact OG-N 2.92Å; D433-K436 PolarHBondContact O-N 3.03Å; D433-G437 PolarHBondContact O-N 3.01Å
434	D	95.4	Very high	89.1	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-45.5	176.7	-54.4	-62.8	0	0	0	111.6	W148 A416 L417 M418 L430 S431 K436 G437 I438	W148-D434 HydrophobicContact CH2-CB 4.18Å; W148-D434 HydrophobicContact CZ3-CB 4.18Å; A416-D434 WeakPolarHBondContact CA-OD2 3.33Å; A416-D434 WeakPolarHBondContact CB-OD1 3.39Å; L417-D434 PolarHBondContact N-OD1 3.47Å; L417-D434 PolarHBondContact N-OD2 3.4Å; M418-D434 WeakPolarHBondContact CB-OD1 3.4Å; M418-D434 WeakPolarHBondContact CG-OD1 3.41Å; M418-D434 PolarHBondContact N-OD1 3.12Å; L430-D434 HydrophobicContact CD1-CB 3.47Å; L430-D434 VanDerWaalsContact CD1-CB 3.47Å; L430-D434 HydrophobicContact CD2-CB 4.4Å; L430-D434 HydrophobicContact CG-CB 3.71Å; S431-D434 VanDerWaalsContact CB-OD2 3.28Å; S431-D434 WeakPolarHBondContact CB-OD2 3.16Å; S431-D434 PolarHBondContact N-OD2 2.87Å; S431-D434 VanDerWaalsContact N-OD2 3.1Å; S431-D434 PolarHBondContact O-N 2.96Å; S431-D434 PolarHBondContact OG-N 2.92Å; S431-D434 VanDerWaalsContact OG-N 3.1Å; S431-D434 PolarHBondContact OG-OD2 3.37Å; D434-K436 VanDerWaalsContact C-N 3.3Å; D434-K436 PolarHBondContact O-N 3.05Å; D434-G437 PolarHBondContact O-N 2.97Å; D434-I438 WeakPolarHBondContact O-CG2 3.17Å; D434-I438 PolarHBondContact O-N 2.69Å
435	I	93.4	Very high	86.6	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-57.7	-47.8	177.3	-69.3	170.4	0	0	0	109.4	V151 L430 S431 G437 I438 Q439	V151-I435 HydrophobicContact CG1-CD1 4.45Å; V151-I435 HydrophobicContact CG1-CG1 4.24Å; V151-I435 HydrophobicContact CG2-CG1 4.49Å; L430-I435 HydrophobicContact CB-CG1 4.32Å; L430-I435 HydrophobicContact CD2-CG1 3.74Å; L430-I435 HydrophobicContact CG-CG1 3.96Å; S431-I435 VanDerWaalsContact O-CG1 3.26Å; S431-I435 WeakPolarHBondContact O-CG1 3.36Å; S431-I435 PolarHBondContact O-N 3.28Å; I435-G437 PolarHBondContact O-N 3.12Å; I435-I438 WeakPolarHBondContact O-CG2 3.49Å; I435-I438 PolarHBondContact O-N 2.04Å; I435-Q439 HydrophobicContact CG2-CG 4.22Å; I435-Q439 VanDerWaalsContact CG2-OE1 3.31Å; I435-Q439 WeakPolarHBondContact O-CB 3.22Å; I435-Q439 WeakPolarHBondContact O-CG 3.38Å; I435-Q439 PolarHBondContact O-N 3.06Å
436	K	91.5	Very high	84.2	Confident	115 Å²	115	59.1 Å²	59.1	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-46.8	178.3	-179.7	-174.3	168.5	-162.3	0	111	Q432 D433 D434 I438 Q439 E440	Q432-K436 WeakPolarHBondContact O-CB 3.32Å; Q432-K436 PolarHBondContact O-N 3.12Å; D433-K436 PolarHBondContact O-N 3.03Å; D434-K436 VanDerWaalsContact C-N 3.3Å; D434-K436 PolarHBondContact O-N 3.05Å; K436-I438 PolarHBondContact O-N 2.79Å; K436-Q439 PolarHBondContact O-N 3.4Å; K436-E440 WeakPolarHBondContact CE-OE1 3.3Å; K436-E440 HydrophobicContact CG-CG 4.48Å; K436-E440 IonicContact NZ-OE1 3.97Å; K436-E440 WeakPolarHBondContact O-CB 3.39Å; K436-E440 WeakPolarHBondContact O-CG 3.37Å; K436-E440 PolarHBondContact O-N 3.16Å
437	G	92.3	Very high	81.9	Confident	23 Å²	23	60.9 Å²	60.9	24%	0.237	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-47.4	-179.8	0	0	0	0	0	112.7	L408 D433 D434 I435 E440 L441	L408-G437 VanDerWaalsContact CD2-C 3.43Å; D433-G437 PolarHBondContact O-N 3.01Å; D434-G437 PolarHBondContact O-N 2.97Å; I435-G437 PolarHBondContact O-N 3.12Å; G437-E440 PolarHBondContact O-N 2.93Å; G437-L441 PolarHBondContact O-N 3.31Å
438	I	93.1	Very high	79.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-72.1	-36.3	-178.5	-162.1	71.3	0	0	0	112	W148 V151 T152 M406 L408 D434 I435 K436 L441 Y442	W148-I438 HydrophobicContact CE3-CB 3.96Å; W148-I438 HydrophobicContact CE3-CD1 4.19Å; W148-I438 HydrophobicContact CE3-CG1 3.89Å; W148-I438 HydrophobicContact CE3-CG2 4.05Å; W148-I438 HydrophobicContact CZ3-CB 4.01Å; W148-I438 HydrophobicContact CZ3-CG1 4.39Å; W148-I438 HydrophobicContact CZ3-CG2 4.19Å; V151-I438 HydrophobicContact CG2-CG2 3.85Å; T152-I438 HydrophobicContact CG2-CB 4.23Å; T152-I438 HydrophobicContact CG2-CG1 3.55Å; T152-I438 HydrophobicContact CG2-CG2 3.73Å; M406-I438 HydrophobicContact CB-CD1 3.61Å; M406-I438 HydrophobicContact CG-CD1 4.14Å; L408-I438 HydrophobicContact CD1-CB 4.16Å; L408-I438 HydrophobicContact CD1-CD1 3.99Å; L408-I438 HydrophobicContact CD2-CB 4.35Å; L408-I438 HydrophobicContact CD2-CD1 4.24Å; L408-I438 HydrophobicContact CG-CD1 3.99Å; D434-I438 WeakPolarHBondContact O-CG2 3.17Å; D434-I438 PolarHBondContact O-N 2.69Å; I435-I438 WeakPolarHBondContact O-CG2 3.49Å; I435-I438 PolarHBondContact O-N 2.04Å; K436-I438 PolarHBondContact O-N 2.79Å; I438-L441 PolarHBondContact O-N 3.29Å; I438-Y442 HydrophobicContact CD1-CD2 3.66Å; I438-Y442 HydrophobicContact CD1-CE2 3.72Å; I438-Y442 HydrophobicContact CG1-CD2 3.99Å; I438-Y442 WeakPolarHBondContact O-CD2 3.42Å; I438-Y442 PolarHBondContact O-N 2.8Å
439	Q	91.2	Very high	76.7	Confident	30 Å²	30	67.8 Å²	67.8	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-68.7	-37.3	177.2	-71.6	-177.8	-29.9	0	0	111.7	V151 I435 K436 L441 Y442 E443	V151-Q439 PolarHBondContact O-NE2 3.4Å; I435-Q439 HydrophobicContact CG2-CG 4.22Å; I435-Q439 VanDerWaalsContact CG2-OE1 3.31Å; I435-Q439 WeakPolarHBondContact O-CB 3.22Å; I435-Q439 WeakPolarHBondContact O-CG 3.38Å; I435-Q439 PolarHBondContact O-N 3.06Å; K436-Q439 PolarHBondContact O-N 3.4Å; Q439-L441 PolarHBondContact O-N 2.72Å; Q439-Y442 PolarHBondContact O-N 2.8Å; Q439-E443 HydrophobicContact CB-CB 4.29Å; Q439-E443 VanDerWaalsContact CB-CD 3.47Å; Q439-E443 HydrophobicContact CB-CG 3.72Å; Q439-E443 WeakPolarHBondContact CB-OE2 3.46Å; Q439-E443 HydrophobicContact CG-CG 3.75Å; Q439-E443 VanDerWaalsContact CG-OE1 3.26Å; Q439-E443 WeakPolarHBondContact CG-OE1 3.37Å; Q439-E443 PolarHBondContact NE2-OE1 3.45Å; Q439-E443 WeakPolarHBondContact O-CA 3.02Å; Q439-E443 VanDerWaalsContact O-CB 3.25Å; Q439-E443 WeakPolarHBondContact O-CB 3.45Å; Q439-E443 PolarHBondContact O-N 3.22Å
440	E	89.5	Confident	74.2	Confident	119 Å²	119	68.2 Å²	68.2	56%	0.556	38%	0.377	S	S	*	.	H	α-helix	trans	-58.6	-29	172.4	-80.3	-176.5	-167.6	0	0	113	K436 G437	K436-E440 WeakPolarHBondContact CE-OE1 3.3Å; K436-E440 HydrophobicContact CG-CG 4.48Å; K436-E440 IonicContact NZ-OE1 3.97Å; K436-E440 WeakPolarHBondContact O-CB 3.39Å; K436-E440 WeakPolarHBondContact O-CG 3.37Å; K436-E440 PolarHBondContact O-N 3.16Å; G437-E440 PolarHBondContact O-N 2.93Å
441	L	90.1	Very high	71.6	Confident	22 Å²	22	70.2 Å²	70.2	12%	0.115	40%	0.401	C	S	.	.	H	α-helix	trans	-83	-48.2	175	-66.6	177.3	0	0	0	111.6	K113 K115 L408 G437 I438 Q439	K113-L441 HydrophobicContact CB-CD2 4.21Å; K113-L441 HydrophobicContact CD-CD2 4.34Å; K115-L441 WeakPolarHBondContact CD-O 3.13Å; K115-L441 WeakPolarHBondContact CE-O 3.35Å; K115-L441 HydrophobicContact CG-CB 4.4Å; K115-L441 PolarHBondContact NZ-O 3.25Å; L408-L441 HydrophobicContact CD2-CD1 3.83Å; G437-L441 PolarHBondContact O-N 3.31Å; I438-L441 PolarHBondContact O-N 3.29Å; Q439-L441 PolarHBondContact O-N 2.72Å
442	Y	89.6	Confident	69.1	Low	1 Å²	1	77 Å²	77	0%	0.004	45%	0.445	C	S	.	.	H	α-helix	trans	-113.2	-8	-163.3	-66	-78.6	0	0	0	116.1	K115 W116 L154 M406 I438 Q439	K115-Y442 HydrophobicContact CD-CD1 4.43Å; K115-Y442 HydrophobicContact CD-CE1 4.2Å; K115-Y442 VanDerWaalsContact CE-CD1 3.5Å; K115-Y442 HydrophobicContact CG-CD1 4.14Å; K115-Y442 HydrophobicContact CG-CE1 3.47Å; K115-Y442 VanDerWaalsContact CG-CE1 3.47Å; K115-Y442 HydrophobicContact CG-CE2 4.26Å; W116-Y442 HydrophobicContact CB-CE1 4.09Å; W116-Y442 PolarHBondContact N-OH 3.43Å; L154-Y442 HydrophobicContact CD1-CD1 3.96Å; L154-Y442 HydrophobicContact CD1-CD2 3.79Å; L154-Y442 HydrophobicContact CD1-CE1 4.16Å; L154-Y442 HydrophobicContact CD1-CE2 4.01Å; L154-Y442 HydrophobicContact CD1-CG 3.76Å; L154-Y442 HydrophobicContact CD2-CD1 3.69Å; L154-Y442 HydrophobicContact CD2-CE1 3.82Å; L154-Y442 HydrophobicContact CD2-CG 4.29Å; L154-Y442 HydrophobicContact CG-CD1 3.99Å; L154-Y442 HydrophobicContact CG-CE1 4.42Å; L154-Y442 HydrophobicContact CG-CG 4.07Å; M406-Y442 HydrophobicContact CB-CE2 3.97Å; M406-Y442 VanDerWaalsContact O-CE2 3.23Å; M406-Y442 WeakPolarHBondContact O-CE2 3.33Å; M406-Y442 PolarHBondContact O-OH 3.36Å; I438-Y442 HydrophobicContact CD1-CD2 3.66Å; I438-Y442 HydrophobicContact CD1-CE2 3.72Å; I438-Y442 HydrophobicContact CG1-CD2 3.99Å; I438-Y442 WeakPolarHBondContact O-CD2 3.42Å; I438-Y442 PolarHBondContact O-N 2.8Å; Q439-Y442 PolarHBondContact O-N 2.8Å
443	E	77	Confident	66.6	Low	90 Å²	90	77.4 Å²	77.4	42%	0.421	46%	0.46	S	S	.	.			trans	-84.8	136.3	170.9	-67.7	-169.7	160.7	0	0	111.6	Q439	Q439-E443 HydrophobicContact CB-CB 4.29Å; Q439-E443 VanDerWaalsContact CB-CD 3.47Å; Q439-E443 HydrophobicContact CB-CG 3.72Å; Q439-E443 WeakPolarHBondContact CB-OE2 3.46Å; Q439-E443 HydrophobicContact CG-CG 3.75Å; Q439-E443 VanDerWaalsContact CG-OE1 3.26Å; Q439-E443 WeakPolarHBondContact CG-OE1 3.37Å; Q439-E443 PolarHBondContact NE2-OE1 3.45Å; Q439-E443 WeakPolarHBondContact O-CA 3.02Å; Q439-E443 VanDerWaalsContact O-CB 3.25Å; Q439-E443 WeakPolarHBondContact O-CB 3.45Å; Q439-E443 PolarHBondContact O-N 3.22Å
444	V	50.3	Low	64.2	Low	127 Å²	127	81.1 Å²	81.1	77%	0.77	49%	0.488	S	S	*	.			trans	-93.7	127.2	174.4	177.3	0	0	0	0	107.7
445	S	41.8	Very low	61.3	Low	74 Å²	74	83.9 Å²	83.9	52%	0.517	52%	0.517	S	S	.	.			trans	-39.9	135.2	167.2	-171.7	0	0	0	0	111.4	D447	S445-D447 WeakPolarHBondContact CB-OD2 3.48Å; S445-D447 PolarHBondContact O-N 2.84Å; S445-D447 PolarHBondContact OG-OD2 2.9Å
446	T	39.9	Very low	58.7	Low	138 Å²	138	89.2 Å²	89.2	85%	0.847	55%	0.552	S	S	*	*			trans	-69.6	39.2	170.7	52.1	0	0	0	0	112.6	V448	T446-V448 PolarHBondContact O-N 3.04Å
447	D	37.3	Very low	56.1	Low	138 Å²	138	86.5 Å²	86.5	74%	0.738	56%	0.557	S	S	*	*			trans	-83.3	65.5	172.7	-66.1	-40.6	0	0	0	109.3	S445	S445-D447 WeakPolarHBondContact CB-OD2 3.48Å; S445-D447 PolarHBondContact O-N 2.84Å; S445-D447 PolarHBondContact OG-OD2 2.9Å
448	V	37.6	Very low	53.5	Low	118 Å²	118	92 Å²	92	72%	0.715	59%	0.588	S	S	*	*			trans	-91.2	104.3	159.5	179.5	0	0	0	0	106.4	T446	T446-V448 PolarHBondContact O-N 3.04Å
449	E	33.8	Very low	51	Low	175 Å²	175	94.5 Å²	94.5	82%	0.818	61%	0.614	S	S	*	*			trans	-47.7	139.2	162.8	-73.9	-163.4	153.6	0	0	109.9	G451	E449-G451 VanDerWaalsContact C-N 3.34Å; E449-G451 PolarHBondContact O-N 3.07Å
450	P	38.1	Very low	48.5	Very low	132 Å²	132	99.2 Å²	99.2	86%	0.857	65%	0.647	S	S	*	*			trans	-71.7	88.4	-176.3	27.9	-31.7	0	0	0	110.8
451	G	38.9	Very low	46.4	Very low	58 Å²	58	104.2 Å²	104.2	60%	0.598	66%	0.661	S	S	*	*			trans	-74.3	142.7	161.2	0	0	0	0	0	110.6	E449 G453	E449-G451 VanDerWaalsContact C-N 3.34Å; E449-G451 PolarHBondContact O-N 3.07Å; G451-G453 PolarHBondContact O-N 3.2Å
452	P	42.2	Very low	44.6	Very low	145 Å²	145	108.2 Å²	108.2	94%	0.942	69%	0.688	S	S	*	*	S	Bend	trans	-77.2	91.2	-178.1	30.8	-31.4	0	0	0	110.2
453	G	41.1	Very low	43.1	Very low	50 Å²	50	111.4 Å²	111.4	52%	0.515	71%	0.708	S	S	.	*	S	Bend	trans	-148	157.4	170.5	0	0	0	0	0	110.7	G451 G455	G451-G453 PolarHBondContact O-N 3.2Å; G453-G455 PolarHBondContact O-N 3.34Å; G453-G455 VanDerWaalsContact O-N 3.15Å
454	P	43.1	Very low	42.9	Very low	141 Å²	141	113.8 Å²	113.8	92%	0.916	72%	0.723	S	S	*	*	S	Bend	trans	-62.4	120.4	175.7	13.9	-9.1	0	0	0	108.5
455	G	35.3	Very low	44.4	Very low	60 Å²	60	108.4 Å²	108.4	62%	0.619	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-62	162.3	-156.8	0	0	0	0	0	116.3	G453	G453-G455 PolarHBondContact O-N 3.34Å; G453-G455 VanDerWaalsContact O-N 3.15Å
456	P	38.5	Very low	46.6	Very low	118 Å²	118	106.1 Å²	106.1	77%	0.766	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-62.6	139	171	-0.4	13.6	0	0	0	109.1
457	G	37.8	Very low	49	Very low	58 Å²	58	104.3 Å²	104.3	60%	0.598	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-55.2	161.9	170.5	0	0	0	0	0	111.6	G459	G457-G459 PolarHBondContact O-N 2.82Å; G457-G459 VanDerWaalsContact O-N 3.07Å
458	P	36.5	Very low	51.6	Low	137 Å²	137	98.7 Å²	98.7	89%	0.89	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-54.8	122.2	179.6	22.7	-30.7	0	0	0	108.9
459	G	40.8	Very low	54.1	Low	54 Å²	54	94.1 Å²	94.1	56%	0.557	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-54.5	164.2	173.1	0	0	0	0	0	111.3	G457 R461	G457-G459 PolarHBondContact O-N 2.82Å; G457-G459 VanDerWaalsContact O-N 3.07Å; G459-R461 PolarHBondContact O-N 3.25Å
460	P	40.3	Very low	56.7	Low	128 Å²	128	90.1 Å²	90.1	83%	0.831	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-51.1	128.6	177.9	19.5	-28.9	0	0	0	109.9
461	R	44.1	Very low	59	Low	224 Å²	224	84.8 Å²	84.8	85%	0.845	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-54.1	141.3	174.7	-123.1	175.2	-178.2	-177.1	-0.5	108.2	G459 T463	G459-R461 PolarHBondContact O-N 3.25Å; R461-T463 PolarHBondContact O-N 3.44Å
462	P	53.2	Low	61.1	Low	107 Å²	107	84.8 Å²	84.8	70%	0.695	54%	0.544	S	S	*	.			trans	-53.6	115.7	174.9	-21.1	30.4	0	0	0	109.3	L464	P462-L464 PolarHBondContact O-N 2.72Å
463	T	57.3	Low	63.2	Low	68 Å²	68	84.2 Å²	84.2	42%	0.417	53%	0.527	S	S	.	.			trans	-71.5	99	174.4	-14	0	0	0	0	106.6	V151 R461 G465	V151-T463 HydrophobicContact CG1-CG2 4.27Å; R461-T463 PolarHBondContact O-N 3.44Å; T463-G465 PolarHBondContact O-N 3.1Å
464	L	74	Confident	65.3	Low	140 Å²	140	87.8 Å²	87.8	73%	0.733	53%	0.53	S	S	*	.			trans	-79.7	111.6	176.8	-69.4	170.6	0	0	0	109.1	P462	P462-L464 PolarHBondContact O-N 2.72Å
465	G	81.2	Confident	67.4	Low	13 Å²	13	86.7 Å²	86.7	13%	0.134	52%	0.516	C	S	.	.			trans	-81.5	171.2	170.9	0	0	0	0	0	112.3	T463	T463-G465 PolarHBondContact O-N 3.1Å
466	P	88.1	Confident	70	Confident	26 Å²	26	84.4 Å²	84.4	17%	0.169	49%	0.49	C	S	.	.			trans	-61.4	140.8	170.9	-21.1	34.9	0	0	0	111.5	R429 L430 Q432	R429-P466 HydrophobicContact CB-CG 4.24Å; L430-P466 WeakPolarHBondContact O-CD 3.44Å; Q432-P466 WeakPolarHBondContact CB-O 3.17Å; Q432-P466 PolarHBondContact N-O 3.2Å
467	V	90.4	Very high	72.7	Confident	101 Å²	101	81.1 Å²	81.1	61%	0.612	47%	0.467	S	S	*	.			trans	-110.8	136.7	178.2	179.4	0	0	0	0	109.3	Q432 P469	Q432-V467 HydrophobicContact CB-CG2 3.82Å; Q432-V467 HydrophobicContact CG-CG2 4.11Å; V467-P469 WeakPolarHBondContact O-CD 3.21Å
468	T	90.9	Very high	75.4	Confident	19 Å²	19	78.8 Å²	78.8	12%	0.117	44%	0.441	C	S	.	.			trans	-73.6	121.7	175.9	-60.8	0	0	0	0	111	D413 F495 P509	D413-T468 VanDerWaalsContact OD1-CB 3.26Å; D413-T468 WeakPolarHBondContact OD1-CB 3.49Å; D413-T468 WeakPolarHBondContact OD1-CG2 3.13Å; D413-T468 PolarHBondContact OD1-OG1 3.23Å; D413-T468 PolarHBondContact OD2-OG1 3.04Å; T468-F495 HydrophobicContact CG2-CD1 4.17Å; T468-F495 HydrophobicContact CG2-CE1 3.78Å; T468-F495 HydrophobicContact CG2-CE2 4.38Å; T468-F495 HydrophobicContact CG2-CZ 3.9Å; T468-F495 WeakPolarHBondContact OG1-CZ 3.48Å; T468-P509 HydrophobicContact CG2-CB 4.19Å; T468-P509 HydrophobicContact CG2-CG 3.57Å
469	P	91.2	Very high	78.3	Confident	22 Å²	22	72.9 Å²	72.9	14%	0.143	40%	0.402	C	S	.	.			trans	-69.3	141.9	179.6	-14.6	27.4	0	0	0	111.7	V467 I476 K492 F495 W497	V467-P469 WeakPolarHBondContact O-CD 3.21Å; P469-I476 HydrophobicContact CB-CD1 4.08Å; P469-K492 HydrophobicContact CB-CG 4.39Å; P469-K492 HydrophobicContact CG-CB 4.41Å; P469-K492 HydrophobicContact CG-CG 3.85Å; P469-F495 HydrophobicContact CG-CD2 4.13Å; P469-W497 HydrophobicContact CB-CH2 3.86Å; P469-W497 HydrophobicContact CB-CZ2 4.31Å; P469-W497 HydrophobicContact CG-CH2 4.11Å; P469-W497 WeakPolarHBondContact O-CZ2 3.23Å
470	E	87.2	Confident	80.9	Confident	92 Å²	92	70.4 Å²	70.4	43%	0.43	38%	0.376	S	S	.	.			trans	-111.4	117.3	179	-70.3	-156.9	-121.9	0	0	111.8	K473	E470-K473 HydrophobicContact CB-CB 4.25Å; E470-K473 HydrophobicContact CB-CD 4.23Å; E470-K473 HydrophobicContact CB-CG 4.44Å; E470-K473 IonicContact OE1-NZ 2.94Å; E470-K473 PolarHBondContact OE1-NZ 3.5Å; E470-K473 WeakPolarHBondContact OE2-CD 3.4Å; E470-K473 WeakPolarHBondContact OE2-CE 3.35Å; E470-K473 IonicContact OE2-NZ 2.62Å; E470-K473 PolarHBondContact OE2-NZ 2.85Å
471	L	86.4	Confident	83.6	Confident	19 Å²	19	64.4 Å²	64.4	10%	0.099	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	146.5	174.7	-61	-170	0	0	0	111.4	K473 I476 F478 W497 P506 L661	L471-K473 PolarHBondContact O-N 2.85Å; L471-I476 HydrophobicContact CD2-CD1 3.8Å; L471-F478 HydrophobicContact CD2-CE1 4.31Å; L471-F478 HydrophobicContact CD2-CZ 4.03Å; L471-W497 HydrophobicContact CD1-CB 4.42Å; L471-W497 HydrophobicContact CD1-CD2 4.07Å; L471-W497 HydrophobicContact CD1-CG 3.71Å; L471-W497 HydrophobicContact CD2-CD2 3.89Å; L471-W497 HydrophobicContact CD2-CE3 4.25Å; L471-W497 HydrophobicContact CD2-CG 4.4Å; L471-W497 HydrophobicContact CD2-CH2 4.35Å; L471-W497 HydrophobicContact CD2-CZ2 3.93Å; L471-W497 HydrophobicContact CD2-CZ3 4.49Å; L471-W497 HydrophobicContact CG-CD2 4.07Å; L471-W497 HydrophobicContact CG-CG 4.21Å; L471-W497 HydrophobicContact CG-CZ2 4.15Å; L471-P506 HydrophobicContact CD1-CB 4.43Å; L471-P506 HydrophobicContact CD1-CG 4.44Å; L471-L661 HydrophobicContact CD2-CD1 4.21Å
472	C	84.5	Confident	86.1	Confident	59 Å²	59	53.9 Å²	53.9	40%	0.399	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	-11.7	177.1	-48.3	0	0	0	0	117	C663	C472-C663 WeakPolarHBondContact CA-SG 3.26Å; C472-C663 HydrophobicContact CB-CB 3.77Å; C472-C663 WeakPolarHBondContact CB-SG 3.11Å; C472-C663 WeakPolarHBondContact SG-CB 3.03Å; C472-C663 CovalentContact SG-SG 2.03Å; C472-C663 PolarHBondContact SG-SG 3.03Å
473	K	86.2	Confident	87.9	Confident	133 Å²	133	50.5 Å²	50.5	58%	0.578	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-36.7	173.1	-71.6	-167.2	-173.3	165.2	0	112.5	E470 L471	E470-K473 HydrophobicContact CB-CB 4.25Å; E470-K473 HydrophobicContact CB-CD 4.23Å; E470-K473 HydrophobicContact CB-CG 4.44Å; E470-K473 IonicContact OE1-NZ 2.94Å; E470-K473 PolarHBondContact OE1-NZ 3.5Å; E470-K473 WeakPolarHBondContact OE2-CD 3.4Å; E470-K473 WeakPolarHBondContact OE2-CE 3.35Å; E470-K473 IonicContact OE2-NZ 2.62Å; E470-K473 PolarHBondContact OE2-NZ 2.85Å; L471-K473 PolarHBondContact O-N 2.85Å
474	H	84.9	Confident	89.6	Confident	125 Å²	125	47.7 Å²	47.7	58%	0.579	26%	0.255	S	S	*	.	S	Bend	trans	-130.1	152.3	-178.5	-58.2	-57.9	0	0	0	110.4	I476	H474-I476 PolarHBondContact O-N 2.58Å
475	D	86.6	Confident	90.2	Very high	118 Å²	118	47.7 Å²	47.7	63%	0.631	25%	0.245	S	C	*	.			trans	-71.5	120.6	171.3	-79.3	-13.6	0	0	0	108.8	Q638 N657	D475-Q638 VanDerWaalsContact CB-CD 3.44Å; D475-Q638 HydrophobicContact CB-CG 4.01Å; D475-N657 PolarHBondContact OD1-ND2 2.78Å; D475-N657 VanDerWaalsContact OD1-ND2 3.13Å
476	I	90.4	Very high	90.5	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.062	26%	0.261	C	S	.	.			trans	-114.8	128.8	-175	-64.1	169.5	0	0	0	108.6	P469 L471 H474 F478 K492 Q638	P469-I476 HydrophobicContact CB-CD1 4.08Å; L471-I476 HydrophobicContact CD2-CD1 3.8Å; H474-I476 PolarHBondContact O-N 2.58Å; I476-F478 HydrophobicContact CG2-CD1 4.03Å; I476-F478 HydrophobicContact CG2-CE1 3.89Å; I476-F478 HydrophobicContact CG2-CG 4.45Å; I476-F478 HydrophobicContact CG2-CZ 4.19Å; I476-K492 HydrophobicContact CG2-CB 4.38Å; I476-K492 HydrophobicContact CG2-CD 3.84Å; I476-K492 HydrophobicContact CG2-CG 3.97Å; I476-Q638 VanDerWaalsContact C-NE2 3.26Å; I476-Q638 PolarHBondContact O-NE2 3.21Å
477	V	94.3	Very high	90.7	Very high	49 Å²	49	50.4 Å²	50.4	30%	0.297	26%	0.264	S	S	.	.			trans	-98	108.8	166.6	-177.2	0	0	0	0	107.1	K492 D621	V477-K492 WeakPolarHBondContact O-CD 3.27Å; V477-K492 WeakPolarHBondContact O-CE 3.2Å; V477-K492 PolarHBondContact O-NZ 2.95Å; V477-D621 HydrophobicContact CG1-CB 4.1Å
478	F	95.6	Very high	90.8	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.039	24%	0.236	C	C	.	.			trans	-68.4	145.7	179.4	-65.4	-71.3	0	0	0	110.8	L471 I476 G480 V481 F490 F491 K492 W497 I656 L661	L471-F478 HydrophobicContact CD2-CE1 4.31Å; L471-F478 HydrophobicContact CD2-CZ 4.03Å; I476-F478 HydrophobicContact CG2-CD1 4.03Å; I476-F478 HydrophobicContact CG2-CE1 3.89Å; I476-F478 HydrophobicContact CG2-CG 4.45Å; I476-F478 HydrophobicContact CG2-CZ 4.19Å; F478-G480 VanDerWaalsContact C-N 3.32Å; F478-V481 HydrophobicContact CB-CG2 4.05Å; F478-V481 HydrophobicContact CG-CG2 4.44Å; F478-F490 HydrophobicContact CD1-CB 3.8Å; F478-F490 HydrophobicContact CD2-CD1 4.02Å; F478-F490 HydrophobicContact CE1-CB 3.67Å; F478-F490 HydrophobicContact CE1-CD1 4.5Å; F478-F490 HydrophobicContact CE1-CG 4.44Å; F478-F490 AromaticContact CE2-CD1 3.89Å; F478-F490 HydrophobicContact CE2-CD1 3.89Å; F478-F490 HydrophobicContact CG-CB 4.31Å; F478-F490 HydrophobicContact CG-CD1 4.38Å; F478-F490 HydrophobicContact CZ-CB 4.06Å; F478-F490 HydrophobicContact CZ-CD1 4.14Å; F478-F490 HydrophobicContact CZ-CG 4.35Å; F478-F491 CarbonylContact C-O 3.6Å; F478-F491 WeakPolarHBondContact CA-O 3.49Å; F478-F491 WeakPolarHBondContact CB-O 3.43Å; F478-K492 HydrophobicContact CD1-CB 4.21Å; F478-W497 HydrophobicContact CD1-CZ3 4.45Å; F478-W497 AromaticContact CE1-CE3 3.88Å; F478-W497 HydrophobicContact CE1-CE3 3.88Å; F478-W497 AromaticContact CE1-CZ3 3.87Å; F478-W497 HydrophobicContact CE1-CZ3 3.87Å; F478-I656 HydrophobicContact CD2-CG2 4.38Å; F478-I656 HydrophobicContact CE2-CG2 3.92Å; F478-L661 HydrophobicContact CE2-CD1 3.98Å; F478-L661 HydrophobicContact CE2-CD2 4.12Å; F478-L661 HydrophobicContact CZ-CD1 3.87Å; F478-L661 HydrophobicContact CZ-CD2 3.94Å
479	D	96.5	Very high	91	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.07	23%	0.233	C	C	.	.	S	Bend	trans	-87.7	-7.7	177.6	-46.6	-57.6	0	0	0	112.3	F491 K492 D493 K522 I523 D524	D479-F491 PolarHBondContact N-O 2.59Å; D479-K492 IonicContact OD1-NZ 3.58Å; D479-K492 PolarHBondContact OD1-NZ 2.97Å; D479-K492 WeakPolarHBondContact OD2-CA 3.48Å; D479-K492 IonicContact OD2-NZ 2.84Å; D479-K492 PolarHBondContact OD2-NZ 3.11Å; D479-D493 PolarHBondContact OD2-N 3.45Å; D479-K522 HydrophobicContact CB-CG 4.45Å; D479-K522 WeakPolarHBondContact OD1-CE 3.33Å; D479-K522 IonicContact OD1-NZ 2.62Å; D479-K522 PolarHBondContact OD1-NZ 3.1Å; D479-I523 WeakPolarHBondContact CB-O 3.48Å; D479-D524 CarbonylContact O-C 3.57Å; D479-D524 VanDerWaalsContact O-C 3.27Å; D479-D524 VanDerWaalsContact O-O 3.07Å
480	G	96.5	Very high	91.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	146.5	172.8	0	0	0	0	0	111.8	F478 F491	F478-G480 VanDerWaalsContact C-N 3.32Å; G480-F491 PolarHBondContact O-N 2.82Å
481	V	96.6	Very high	91.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.7	174.7	-174.4	0	0	0	0	108.6	F478 I488 F489 F490 A622 L624 F635	F478-V481 HydrophobicContact CB-CG2 4.05Å; F478-V481 HydrophobicContact CG-CG2 4.44Å; V481-I488 HydrophobicContact CG1-CG2 4.24Å; V481-F489 WeakPolarHBondContact CA-O 3.44Å; V481-F490 HydrophobicContact CB-CD1 4.5Å; V481-F490 HydrophobicContact CG1-CD1 3.9Å; V481-F490 HydrophobicContact CG1-CE1 3.82Å; V481-F490 HydrophobicContact CG1-CZ 4.46Å; V481-F490 HydrophobicContact CG2-CD1 3.79Å; V481-F490 HydrophobicContact CG2-CE1 4.28Å; V481-A622 HydrophobicContact CB-CB 3.81Å; V481-A622 HydrophobicContact CG2-CB 3.84Å; V481-L624 HydrophobicContact CG1-CB 4.39Å; V481-L624 HydrophobicContact CG1-CD2 4.12Å; V481-F635 HydrophobicContact CB-CE2 4.45Å; V481-F635 HydrophobicContact CG1-CE2 4.32Å; V481-F635 HydrophobicContact CG1-CZ 4.23Å
482	A	95.1	Very high	92.1	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.033	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.2	-178.8	0	0	0	0	0	112.6	I484 I488 F489 V526	A482-I484 HydrophobicContact CB-CG1 4.41Å; A482-I488 WeakPolarHBondContact O-CA 3.41Å; A482-F489 PolarHBondContact N-O 3.17Å; A482-F489 VanDerWaalsContact N-O 3.11Å; A482-F489 PolarHBondContact O-N 2.9Å; A482-V526 HydrophobicContact CB-CB 4.36Å; A482-V526 HydrophobicContact CB-CG1 3.74Å; A482-V526 HydrophobicContact CB-CG2 4.04Å
483	Q	92.6	Very high	92.5	Very high	36 Å²	36	41.1 Å²	41.1	17%	0.168	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.8	164.5	-176	171.5	52.5	0	0	108.3	E487 E528 L624 S627	Q483-E487 CarbonylContact C-O 3.57Å; Q483-E487 VanDerWaalsContact CA-O 3.27Å; Q483-E487 WeakPolarHBondContact CA-O 3.29Å; Q483-E528 WeakPolarHBondContact O-CB 3.23Å; Q483-L624 HydrophobicContact CB-CD1 4.03Å; Q483-L624 VanDerWaalsContact N-CD1 3.28Å; Q483-S627 PolarHBondContact OE1-OG 3.18Å; Q483-S627 VanDerWaalsContact OE1-OG 3.04Å
484	I	91.6	Very high	92.8	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.046	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.4	176.4	-58.1	168.5	0	0	0	106.6	A482 G486 E487 F489 F491 W516 V526 A535 F537	A482-I484 HydrophobicContact CB-CG1 4.41Å; I484-G486 PolarHBondContact O-N 3.03Å; I484-G486 VanDerWaalsContact O-N 3.11Å; I484-E487 PolarHBondContact N-O 2.84Å; I484-E487 PolarHBondContact O-N 2.79Å; I484-F489 HydrophobicContact CB-CD2 3.88Å; I484-F489 HydrophobicContact CB-CE2 3.79Å; I484-F489 HydrophobicContact CD1-CD2 4.11Å; I484-F489 HydrophobicContact CD1-CG 4.46Å; I484-F489 HydrophobicContact CG1-CD2 4.21Å; I484-F491 HydrophobicContact CD1-CZ 4.41Å; I484-W516 HydrophobicContact CD1-CH2 4.13Å; I484-W516 HydrophobicContact CD1-CZ2 4.33Å; I484-V526 HydrophobicContact CD1-CG2 4.05Å; I484-A535 HydrophobicContact CD1-CB 4.16Å; I484-A535 HydrophobicContact CG1-CB 4.49Å; I484-A535 HydrophobicContact CG2-CB 4.19Å; I484-F537 HydrophobicContact CD1-CZ 4.27Å
485	R	88.1	Confident	93.3	Very high	139 Å²	139	30.4 Å²	30.4	53%	0.525	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.5	178.7	-61.8	179	169.6	-161.1	-11.1	114.4	E487 E528 A548	R485-E487 VanDerWaalsContact C-N 3.33Å; R485-E487 PolarHBondContact O-N 2.88Å; R485-E528 PolarHBondContact N-OE1 2.81Å; R485-E528 PolarHBondContact N-OE2 2.7Å; R485-A548 VanDerWaalsContact CZ-CA 3.44Å; R485-A548 VanDerWaalsContact NH2-CA 3.28Å; R485-A548 VanDerWaalsContact NH2-CB 3.31Å; R485-A548 VanDerWaalsContact NH2-N 3.15Å
486	G	87.6	Confident	93.7	Very high	45 Å²	45	24.8 Å²	24.8	46%	0.464	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-11.5	178.4	0	0	0	0	0	115.5	I484	I484-G486 PolarHBondContact O-N 3.03Å; I484-G486 VanDerWaalsContact O-N 3.11Å
487	E	90.9	Very high	93.9	Very high	51 Å²	51	24.4 Å²	24.4	24%	0.238	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.1	171.6	-76.5	178.3	-133.9	0	0	110.7	Q483 I484 R485 F489 R498 V500	Q483-E487 CarbonylContact C-O 3.57Å; Q483-E487 VanDerWaalsContact CA-O 3.27Å; Q483-E487 WeakPolarHBondContact CA-O 3.29Å; I484-E487 PolarHBondContact N-O 2.84Å; I484-E487 PolarHBondContact O-N 2.79Å; R485-E487 VanDerWaalsContact C-N 3.33Å; R485-E487 PolarHBondContact O-N 2.88Å; E487-F489 HydrophobicContact CB-CD2 4.21Å; E487-F489 HydrophobicContact CB-CE2 3.51Å; E487-F489 HydrophobicContact CB-CZ 4.06Å; E487-F489 WeakPolarHBondContact O-CD2 3.46Å; E487-R498 IonicContact OE1-NH1 3.41Å; E487-R498 PolarHBondContact OE1-NH1 2.88Å; E487-R498 VanDerWaalsContact OE2-CD 3.23Å; E487-R498 WeakPolarHBondContact OE2-CD 3.21Å; E487-R498 IonicContact OE2-CZ 3.27Å; E487-R498 IonicContact OE2-NE 3.18Å; E487-R498 IonicContact OE2-NH1 2.67Å; E487-R498 PolarHBondContact OE2-NH1 3.3Å; E487-V500 HydrophobicContact CG-CG1 3.59Å
488	I	93.4	Very high	93.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.5	172	-60.6	154.9	0	0	0	108.2	V481 A482 F490 R498 T499 P502 L624 L626 W660	V481-I488 HydrophobicContact CG1-CG2 4.24Å; A482-I488 WeakPolarHBondContact O-CA 3.41Å; I488-F490 HydrophobicContact CG2-CD2 4.35Å; I488-F490 HydrophobicContact CG2-CE2 3.71Å; I488-F490 HydrophobicContact CG2-CZ 3.87Å; I488-R498 CarbonylContact O-C 3.59Å; I488-R498 VanDerWaalsContact O-CA 3.23Å; I488-R498 WeakPolarHBondContact O-CA 3.36Å; I488-T499 HydrophobicContact CB-CG2 4.17Å; I488-T499 HydrophobicContact CD1-CG2 4.49Å; I488-T499 PolarHBondContact N-O 2.84Å; I488-T499 PolarHBondContact O-N 3.06Å; I488-P502 HydrophobicContact CD1-CB 4.07Å; I488-P502 HydrophobicContact CD1-CG 3.67Å; I488-L624 HydrophobicContact CG2-CD2 4.1Å; I488-L626 HydrophobicContact CD1-CD2 3.9Å; I488-L626 HydrophobicContact CG1-CD2 3.93Å; I488-W660 HydrophobicContact CD1-CZ3 3.95Å
489	F	95.1	Very high	93.5	Very high	14 Å²	14	24.5 Å²	24.5	6%	0.061	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.9	178.2	-68.2	-99.9	0	0	0	110.5	V481 A482 I484 E487 F491 M496 W497 R498 W516	V481-F489 WeakPolarHBondContact CA-O 3.44Å; A482-F489 PolarHBondContact N-O 3.17Å; A482-F489 VanDerWaalsContact N-O 3.11Å; A482-F489 PolarHBondContact O-N 2.9Å; I484-F489 HydrophobicContact CB-CD2 3.88Å; I484-F489 HydrophobicContact CB-CE2 3.79Å; I484-F489 HydrophobicContact CD1-CD2 4.11Å; I484-F489 HydrophobicContact CD1-CG 4.46Å; I484-F489 HydrophobicContact CG1-CD2 4.21Å; E487-F489 HydrophobicContact CB-CD2 4.21Å; E487-F489 HydrophobicContact CB-CE2 3.51Å; E487-F489 HydrophobicContact CB-CZ 4.06Å; E487-F489 WeakPolarHBondContact O-CD2 3.46Å; F489-F491 HydrophobicContact CB-CD2 4.13Å; F489-F491 HydrophobicContact CB-CE2 3.34Å; F489-F491 HydrophobicContact CB-CZ 3.74Å; F489-F491 HydrophobicContact CD1-CZ 4.29Å; F489-F491 HydrophobicContact CG-CE2 4.29Å; F489-F491 HydrophobicContact CG-CZ 4.24Å; F489-M496 HydrophobicContact CD1-CE 4.36Å; F489-M496 HydrophobicContact CD1-SD 3.69Å; F489-M496 HydrophobicContact CE1-CE 4.1Å; F489-M496 HydrophobicContact CE1-SD 3.99Å; F489-W497 CarbonylContact C-O 3.3Å; F489-W497 WeakPolarHBondContact CA-O 3.4Å; F489-R498 HydrophobicContact CD1-CB 3.81Å; F489-R498 HydrophobicContact CE1-CB 3.75Å; F489-R498 HydrophobicContact CE1-CG 4.48Å; F489-R498 HydrophobicContact CG-CB 4.35Å; F489-R498 HydrophobicContact CZ-CB 4.24Å; F489-W516 HydrophobicContact CD1-CH2 4.36Å; F489-W516 HydrophobicContact CE1-CH2 4.16Å
490	F	95.9	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.4	171.8	-60.7	-92.7	0	0	0	108	F478 V481 I488 M496 W497 T499 P506 W660 L661	F478-F490 HydrophobicContact CD1-CB 3.8Å; F478-F490 HydrophobicContact CD2-CD1 4.02Å; F478-F490 HydrophobicContact CE1-CB 3.67Å; F478-F490 HydrophobicContact CE1-CD1 4.5Å; F478-F490 HydrophobicContact CE1-CG 4.44Å; F478-F490 AromaticContact CE2-CD1 3.89Å; F478-F490 HydrophobicContact CE2-CD1 3.89Å; F478-F490 HydrophobicContact CG-CB 4.31Å; F478-F490 HydrophobicContact CG-CD1 4.38Å; F478-F490 HydrophobicContact CZ-CB 4.06Å; F478-F490 HydrophobicContact CZ-CD1 4.14Å; F478-F490 HydrophobicContact CZ-CG 4.35Å; V481-F490 HydrophobicContact CB-CD1 4.5Å; V481-F490 HydrophobicContact CG1-CD1 3.9Å; V481-F490 HydrophobicContact CG1-CE1 3.82Å; V481-F490 HydrophobicContact CG1-CZ 4.46Å; V481-F490 HydrophobicContact CG2-CD1 3.79Å; V481-F490 HydrophobicContact CG2-CE1 4.28Å; I488-F490 HydrophobicContact CG2-CD2 4.35Å; I488-F490 HydrophobicContact CG2-CE2 3.71Å; I488-F490 HydrophobicContact CG2-CZ 3.87Å; F490-M496 CarbonylContact O-C 3.56Å; F490-M496 WeakPolarHBondContact O-CA 3.36Å; F490-M496 WeakPolarHBondContact O-CB 3.47Å; F490-W497 HydrophobicContact CB-CB 4.5Å; F490-W497 HydrophobicContact CB-CE3 4.39Å; F490-W497 PolarHBondContact N-O 3.36Å; F490-W497 PolarHBondContact O-N 2.89Å; F490-T499 HydrophobicContact CE2-CG2 4.24Å; F490-P506 HydrophobicContact CD2-CG 4.38Å; F490-P506 HydrophobicContact CE2-CG 4.17Å; F490-W660 HydrophobicContact CE1-CB 4.25Å; F490-W660 HydrophobicContact CZ-CB 4Å; F490-W660 HydrophobicContact CZ-CE3 4.07Å; F490-L661 HydrophobicContact CD1-CD2 4.2Å; F490-L661 HydrophobicContact CD2-CD2 4.49Å; F490-L661 HydrophobicContact CE1-CD2 4.09Å; F490-L661 HydrophobicContact CE2-CD2 4.38Å; F490-L661 HydrophobicContact CG-CD2 4.41Å; F490-L661 HydrophobicContact CZ-CD2 4.19Å
491	F	96.6	Very high	92.5	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.9	-176.4	-65.7	-92.8	0	0	0	110.8	F478 D479 G480 I484 F489 M496 V512 W516 I523 V526 F537	F478-F491 CarbonylContact C-O 3.6Å; F478-F491 WeakPolarHBondContact CA-O 3.49Å; F478-F491 WeakPolarHBondContact CB-O 3.43Å; D479-F491 PolarHBondContact N-O 2.59Å; G480-F491 PolarHBondContact O-N 2.82Å; I484-F491 HydrophobicContact CD1-CZ 4.41Å; F489-F491 HydrophobicContact CB-CD2 4.13Å; F489-F491 HydrophobicContact CB-CE2 3.34Å; F489-F491 HydrophobicContact CB-CZ 3.74Å; F489-F491 HydrophobicContact CD1-CZ 4.29Å; F489-F491 HydrophobicContact CG-CE2 4.29Å; F489-F491 HydrophobicContact CG-CZ 4.24Å; F491-M496 HydrophobicContact CD1-CB 3.9Å; F491-M496 HydrophobicContact CE1-CB 4.09Å; F491-M496 HydrophobicContact CE1-SD 3.96Å; F491-M496 HydrophobicContact CG-CB 4.47Å; F491-M496 HydrophobicContact CZ-SD 4.43Å; F491-V512 HydrophobicContact CD1-CG2 3.83Å; F491-V512 HydrophobicContact CE1-CG1 4.47Å; F491-V512 HydrophobicContact CE1-CG2 4.2Å; F491-W516 HydrophobicContact CE1-CE3 4.22Å; F491-W516 AromaticContact CE1-CZ3 3.7Å; F491-W516 HydrophobicContact CE1-CZ3 3.7Å; F491-W516 HydrophobicContact CZ-CH2 4.18Å; F491-W516 AromaticContact CZ-CZ3 3.75Å; F491-W516 HydrophobicContact CZ-CZ3 3.75Å; F491-I523 HydrophobicContact CB-CD1 3.67Å; F491-I523 HydrophobicContact CB-CG1 4.03Å; F491-I523 HydrophobicContact CD1-CD1 3.78Å; F491-I523 HydrophobicContact CD2-CD1 3.88Å; F491-I523 HydrophobicContact CE1-CD1 4.39Å; F491-I523 HydrophobicContact CE2-CD1 4.47Å; F491-I523 HydrophobicContact CG-CD1 3.5Å; F491-I523 VanDerWaalsContact CG-CD1 3.5Å; F491-I523 HydrophobicContact CG-CG1 4.34Å; F491-V526 HydrophobicContact CD2-CG1 3.81Å; F491-V526 HydrophobicContact CE2-CG1 3.8Å; F491-V526 HydrophobicContact CE2-CG2 4.41Å; F491-F537 AromaticContact CE1-CE1 3.91Å; F491-F537 HydrophobicContact CE1-CE1 3.91Å; F491-F537 HydrophobicContact CE2-CE1 4.4Å; F491-F537 AromaticContact CZ-CE1 3.73Å; F491-F537 HydrophobicContact CZ-CE1 3.73Å; F491-F537 HydrophobicContact CZ-CZ 4.29Å
492	K	95.1	Very high	91.5	Very high	34 Å²	34	35.4 Å²	35.4	15%	0.148	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	119.5	171.8	-175	68.9	-156.1	160.4	0	111.4	P469 I476 V477 F478 D479 R494 F495 W497	P469-K492 HydrophobicContact CB-CG 4.39Å; P469-K492 HydrophobicContact CG-CB 4.41Å; P469-K492 HydrophobicContact CG-CG 3.85Å; I476-K492 HydrophobicContact CG2-CB 4.38Å; I476-K492 HydrophobicContact CG2-CD 3.84Å; I476-K492 HydrophobicContact CG2-CG 3.97Å; V477-K492 WeakPolarHBondContact O-CD 3.27Å; V477-K492 WeakPolarHBondContact O-CE 3.2Å; V477-K492 PolarHBondContact O-NZ 2.95Å; F478-K492 HydrophobicContact CD1-CB 4.21Å; D479-K492 IonicContact OD1-NZ 3.58Å; D479-K492 PolarHBondContact OD1-NZ 2.97Å; D479-K492 WeakPolarHBondContact OD2-CA 3.48Å; D479-K492 IonicContact OD2-NZ 2.84Å; D479-K492 PolarHBondContact OD2-NZ 3.11Å; K492-R494 PolarHBondContact O-N 3.49Å; K492-F495 PolarHBondContact N-O 3.19Å; K492-F495 WeakPolarHBondContact O-CA 3.48Å; K492-F495 WeakPolarHBondContact O-CB 3.41Å; K492-F495 PolarHBondContact O-N 2.95Å; K492-F495 VanDerWaalsContact O-O 3.11Å; K492-W497 HydrophobicContact CB-CH2 4.11Å; K492-W497 HydrophobicContact CB-CZ3 3.69Å
493	D	92.9	Very high	90.5	Very high	65 Å²	65	45.7 Å²	45.7	35%	0.348	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	-124.5	-175	-54.7	-53	0	0	0	108.6	D479 F495 E521	D479-D493 PolarHBondContact OD2-N 3.45Å; D493-F495 PolarHBondContact O-N 3.45Å; D493-E521 CarbonylContact C-O 3.08Å; D493-E521 WeakPolarHBondContact CA-O 3.35Å
494	R	93.6	Very high	89.9	Confident	30 Å²	30	45 Å²	45	11%	0.113	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.4	-178.5	-51.4	-164.3	-59.5	-174	6	114	R429 K492 L511 V512 E521	R429-R494 PolarHBondContact O-NH2 2.86Å; K492-R494 PolarHBondContact O-N 3.49Å; R494-L511 HydrophobicContact CB-CD2 4.11Å; R494-L511 WeakPolarHBondContact O-CA 3.45Å; R494-V512 PolarHBondContact O-N 3.17Å; R494-E521 WeakPolarHBondContact CA-O 3.27Å; R494-E521 VanDerWaalsContact CD-CD 3.49Å; R494-E521 VanDerWaalsContact CD-OE1 3.29Å; R494-E521 WeakPolarHBondContact CD-OE1 3.29Å; R494-E521 HydrophobicContact CG-CB 3.72Å; R494-E521 HydrophobicContact CG-CG 4.04Å; R494-E521 WeakPolarHBondContact CG-O 3.27Å; R494-E521 IonicContact CZ-OE1 2.77Å; R494-E521 PolarHBondContact N-O 3.41Å; R494-E521 IonicContact NE-OE1 3.86Å; R494-E521 IonicContact NH1-OE1 3.19Å; R494-E521 PolarHBondContact NH1-OE1 3.09Å
495	F	94.9	Very high	89.5	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	158.7	-169.8	-57.6	-83.6	0	0	0	112.5	T468 P469 K492 D493 W497 P509 L510 L511	T468-F495 HydrophobicContact CG2-CD1 4.17Å; T468-F495 HydrophobicContact CG2-CE1 3.78Å; T468-F495 HydrophobicContact CG2-CE2 4.38Å; T468-F495 HydrophobicContact CG2-CZ 3.9Å; T468-F495 WeakPolarHBondContact OG1-CZ 3.48Å; P469-F495 HydrophobicContact CG-CD2 4.13Å; K492-F495 PolarHBondContact N-O 3.19Å; K492-F495 WeakPolarHBondContact O-CA 3.48Å; K492-F495 WeakPolarHBondContact O-CB 3.41Å; K492-F495 PolarHBondContact O-N 2.95Å; K492-F495 VanDerWaalsContact O-O 3.11Å; D493-F495 PolarHBondContact O-N 3.45Å; F495-W497 HydrophobicContact CB-CH2 4.14Å; F495-W497 HydrophobicContact CB-CZ3 4.43Å; F495-P509 HydrophobicContact CB-CB 4.23Å; F495-P509 HydrophobicContact CD1-CB 3.97Å; F495-P509 HydrophobicContact CG-CB 4.36Å; F495-L510 CarbonylContact C-O 3.53Å; F495-L510 VanDerWaalsContact CA-O 3.27Å; F495-L510 WeakPolarHBondContact CA-O 3.28Å; F495-L511 HydrophobicContact CD1-CD2 4.07Å; F495-L511 HydrophobicContact CE1-CD2 3.76Å; F495-L511 HydrophobicContact CE1-CG 4.41Å; F495-L511 HydrophobicContact CZ-CD2 4.27Å
496	M	94.8	Very high	89.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.9	169.8	63.8	170.9	-164.4	0	0	112.5	F489 F490 F491 L510 V512 F515 W516	F489-M496 HydrophobicContact CD1-CE 4.36Å; F489-M496 HydrophobicContact CD1-SD 3.69Å; F489-M496 HydrophobicContact CE1-CE 4.1Å; F489-M496 HydrophobicContact CE1-SD 3.99Å; F490-M496 CarbonylContact O-C 3.56Å; F490-M496 WeakPolarHBondContact O-CA 3.36Å; F490-M496 WeakPolarHBondContact O-CB 3.47Å; F491-M496 HydrophobicContact CD1-CB 3.9Å; F491-M496 HydrophobicContact CE1-CB 4.09Å; F491-M496 HydrophobicContact CE1-SD 3.96Å; F491-M496 HydrophobicContact CG-CB 4.47Å; F491-M496 HydrophobicContact CZ-SD 4.43Å; M496-L510 HydrophobicContact CE-CB 4.25Å; M496-L510 HydrophobicContact CE-CD1 4.34Å; M496-L510 HydrophobicContact CG-CB 4.29Å; M496-L510 PolarHBondContact N-O 3.1Å; M496-L510 PolarHBondContact O-N 3.31Å; M496-V512 HydrophobicContact CB-CG2 4.08Å; M496-V512 HydrophobicContact CG-CG2 4.22Å; M496-F515 HydrophobicContact CE-CD2 3.09Å; M496-F515 HydrophobicContact CE-CE2 3.11Å; M496-F515 HydrophobicContact CE-CG 4.06Å; M496-F515 HydrophobicContact CE-CZ 4.09Å; M496-F515 HydrophobicContact SD-CD2 4.49Å; M496-W516 HydrophobicContact CE-CZ3 4.36Å; M496-W516 HydrophobicContact SD-CE3 4.45Å; M496-W516 HydrophobicContact SD-CH2 4.48Å; M496-W516 HydrophobicContact SD-CZ3 3.64Å
497	W	93.6	Very high	89.6	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.7	167.2	-59.1	-99.2	0	0	0	109.3	P469 L471 F478 F489 F490 K492 F495 P506 T507 G508 P509	P469-W497 HydrophobicContact CB-CH2 3.86Å; P469-W497 HydrophobicContact CB-CZ2 4.31Å; P469-W497 HydrophobicContact CG-CH2 4.11Å; P469-W497 WeakPolarHBondContact O-CZ2 3.23Å; L471-W497 HydrophobicContact CD1-CB 4.42Å; L471-W497 HydrophobicContact CD1-CD2 4.07Å; L471-W497 HydrophobicContact CD1-CG 3.71Å; L471-W497 HydrophobicContact CD2-CD2 3.89Å; L471-W497 HydrophobicContact CD2-CE3 4.25Å; L471-W497 HydrophobicContact CD2-CG 4.4Å; L471-W497 HydrophobicContact CD2-CH2 4.35Å; L471-W497 HydrophobicContact CD2-CZ2 3.93Å; L471-W497 HydrophobicContact CD2-CZ3 4.49Å; L471-W497 HydrophobicContact CG-CD2 4.07Å; L471-W497 HydrophobicContact CG-CG 4.21Å; L471-W497 HydrophobicContact CG-CZ2 4.15Å; F478-W497 HydrophobicContact CD1-CZ3 4.45Å; F478-W497 AromaticContact CE1-CE3 3.88Å; F478-W497 HydrophobicContact CE1-CE3 3.88Å; F478-W497 AromaticContact CE1-CZ3 3.87Å; F478-W497 HydrophobicContact CE1-CZ3 3.87Å; F489-W497 CarbonylContact C-O 3.3Å; F489-W497 WeakPolarHBondContact CA-O 3.4Å; F490-W497 HydrophobicContact CB-CB 4.5Å; F490-W497 HydrophobicContact CB-CE3 4.39Å; F490-W497 PolarHBondContact N-O 3.36Å; F490-W497 PolarHBondContact O-N 2.89Å; K492-W497 HydrophobicContact CB-CH2 4.11Å; K492-W497 HydrophobicContact CB-CZ3 3.69Å; F495-W497 HydrophobicContact CB-CH2 4.14Å; F495-W497 HydrophobicContact CB-CZ3 4.43Å; W497-P506 HydrophobicContact CB-CB 3.7Å; W497-P506 HydrophobicContact CG-CB 4.5Å; W497-T507 CarbonylContact C-O 3.53Å; W497-T507 VanDerWaalsContact CA-O 3.29Å; W497-T507 WeakPolarHBondContact CA-O 3.39Å; W497-G508 VanDerWaalsContact CD1-C 3.44Å; W497-P509 HydrophobicContact CZ2-CB 3.68Å; W497-P509 HydrophobicContact CZ2-CG 4.4Å
498	R	92.4	Very high	89.4	Confident	47 Å²	47	44.3 Å²	44.3	18%	0.177	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.1	-179.7	69.8	-167.4	-173.3	131	-8.2	112.7	E487 I488 F489 T507	E487-R498 IonicContact OE1-NH1 3.41Å; E487-R498 PolarHBondContact OE1-NH1 2.88Å; E487-R498 VanDerWaalsContact OE2-CD 3.23Å; E487-R498 WeakPolarHBondContact OE2-CD 3.21Å; E487-R498 IonicContact OE2-CZ 3.27Å; E487-R498 IonicContact OE2-NE 3.18Å; E487-R498 IonicContact OE2-NH1 2.67Å; E487-R498 PolarHBondContact OE2-NH1 3.3Å; I488-R498 CarbonylContact O-C 3.59Å; I488-R498 VanDerWaalsContact O-CA 3.23Å; I488-R498 WeakPolarHBondContact O-CA 3.36Å; F489-R498 HydrophobicContact CD1-CB 3.81Å; F489-R498 HydrophobicContact CE1-CB 3.75Å; F489-R498 HydrophobicContact CE1-CG 4.48Å; F489-R498 HydrophobicContact CG-CB 4.35Å; F489-R498 HydrophobicContact CZ-CB 4.24Å; R498-T507 PolarHBondContact N-O 3.04Å; R498-T507 PolarHBondContact O-N 3.03Å
499	T	90.3	Very high	89.3	Confident	12 Å²	12	45.6 Å²	45.6	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	142.9	175.5	-172.2	0	0	0	0	112	I488 F490 N501 P506	I488-T499 HydrophobicContact CB-CG2 4.17Å; I488-T499 HydrophobicContact CD1-CG2 4.49Å; I488-T499 PolarHBondContact N-O 2.84Å; I488-T499 PolarHBondContact O-N 3.06Å; F490-T499 HydrophobicContact CE2-CG2 4.24Å; T499-N501 PolarHBondContact OG1-N 2.92Å; T499-N501 PolarHBondContact OG1-O 2.94Å; T499-P506 HydrophobicContact CG2-CG 4.41Å
500	V	86.9	Confident	89.1	Confident	116 Å²	116	46.8 Å²	46.8	70%	0.703	24%	0.24	S	C	*	.	S	Bend	trans	-86.9	-19.2	165.2	-66	0	0	0	0	112.1	E487	E487-V500 HydrophobicContact CG-CG1 3.59Å
501	N	84	Confident	88.9	Confident	87 Å²	87	47.6 Å²	47.6	47%	0.465	24%	0.244	S	C	.	.			trans	-114.1	106.7	-178	-178.9	3.8	0	0	0	109.5	T499 R503 G504	T499-N501 PolarHBondContact OG1-N 2.92Å; T499-N501 PolarHBondContact OG1-O 2.94Å; N501-R503 PolarHBondContact O-N 3.23Å; N501-R503 PolarHBondContact OD1-N 3.33Å; N501-R503 VanDerWaalsContact OD1-N 3.12Å; N501-G504 PolarHBondContact O-N 3.31Å
502	P	75.7	Confident	88.8	Confident	42 Å²	42	48 Å²	48	27%	0.273	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21	-179.5	-21	27.9	0	0	0	114.6	I488 W660	I488-P502 HydrophobicContact CD1-CB 4.07Å; I488-P502 HydrophobicContact CD1-CG 3.67Å; P502-W660 HydrophobicContact CB-CE3 4.15Å; P502-W660 HydrophobicContact CB-CZ3 3.91Å
503	R	75.1	Confident	88.6	Confident	221 Å²	221	47.5 Å²	47.5	83%	0.834	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-5.5	179.6	-60.3	-174.5	-174.6	-178.8	2.5	113.6	N501	N501-R503 PolarHBondContact O-N 3.23Å; N501-R503 PolarHBondContact OD1-N 3.33Å; N501-R503 VanDerWaalsContact OD1-N 3.12Å
504	G	79.4	Confident	88.5	Confident	20 Å²	20	46.8 Å²	46.8	21%	0.206	25%	0.247	C	C	.	.	S	Bend	trans	-92.3	157.9	178	0	0	0	0	0	111.1	N501 P506	N501-G504 PolarHBondContact O-N 3.31Å; G504-P506 WeakPolarHBondContact O-CD 3.47Å
505	K	84.3	Confident	88.3	Confident	148 Å²	148	47.7 Å²	47.7	64%	0.643	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-62.7	125.1	171	-172.9	176.8	-179.1	-177.1	0	109.5
506	P	89.1	Confident	88.2	Confident	7 Å²	7	48 Å²	48	5%	0.045	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-61.7	149	176.7	-25.4	35.7	0	0	0	113.1	L471 F490 W497 T499 G504 L661	L471-P506 HydrophobicContact CD1-CB 4.43Å; L471-P506 HydrophobicContact CD1-CG 4.44Å; F490-P506 HydrophobicContact CD2-CG 4.38Å; F490-P506 HydrophobicContact CE2-CG 4.17Å; W497-P506 HydrophobicContact CB-CB 3.7Å; W497-P506 HydrophobicContact CG-CB 4.5Å; T499-P506 HydrophobicContact CG2-CG 4.41Å; G504-P506 WeakPolarHBondContact O-CD 3.47Å; P506-L661 WeakPolarHBondContact CD-O 3.35Å; P506-L661 HydrophobicContact CG-CD2 4.13Å
507	T	87.8	Confident	88	Confident	50 Å²	50	49.9 Å²	49.9	31%	0.307	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.2	171.8	-54.2	0	0	0	0	110	W497 R498	W497-T507 CarbonylContact C-O 3.53Å; W497-T507 VanDerWaalsContact CA-O 3.29Å; W497-T507 WeakPolarHBondContact CA-O 3.39Å; R498-T507 PolarHBondContact N-O 3.04Å; R498-T507 PolarHBondContact O-N 3.03Å
508	G	86.5	Confident	87.8	Confident	26 Å²	26	52.4 Å²	52.4	27%	0.268	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.5	-172.4	-179.8	0	0	0	0	0	112	W497	W497-G508 VanDerWaalsContact CD1-C 3.44Å
509	P	91.2	Very high	87.9	Confident	29 Å²	29	50.9 Å²	50.9	19%	0.188	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-71.8	147.6	6.9	25.4	-29.7	0	0	0	113.4	P414 T468 F495 W497	P414-P509 HydrophobicContact CG-CG 4.2Å; P414-P509 WeakPolarHBondContact CG-O 3.27Å; T468-P509 HydrophobicContact CG2-CB 4.19Å; T468-P509 HydrophobicContact CG2-CG 3.57Å; F495-P509 HydrophobicContact CB-CB 4.23Å; F495-P509 HydrophobicContact CD1-CB 3.97Å; F495-P509 HydrophobicContact CG-CB 4.36Å; W497-P509 HydrophobicContact CZ2-CB 3.68Å; W497-P509 HydrophobicContact CZ2-CG 4.4Å
510	L	91	Very high	88	Confident	40 Å²	40	52 Å²	52	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.4	170.3	-64.5	171.3	0	0	0	108.7	F495 M496 V512 F515	F495-L510 CarbonylContact C-O 3.53Å; F495-L510 VanDerWaalsContact CA-O 3.27Å; F495-L510 WeakPolarHBondContact CA-O 3.28Å; M496-L510 HydrophobicContact CE-CB 4.25Å; M496-L510 HydrophobicContact CE-CD1 4.34Å; M496-L510 HydrophobicContact CG-CB 4.29Å; M496-L510 PolarHBondContact N-O 3.1Å; M496-L510 PolarHBondContact O-N 3.31Å; L510-V512 PolarHBondContact O-N 2.71Å; L510-F515 HydrophobicContact CD1-CE2 4.33Å
511	L	92.1	Very high	88	Confident	17 Å²	17	49.4 Å²	49.4	9%	0.089	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.2	171.3	-75.8	171.9	0	0	0	110.2	P414 T423 T425 R494 F495 A513 T514	P414-L511 WeakPolarHBondContact O-CD1 3.34Å; T423-L511 HydrophobicContact CG2-CB 4.16Å; T423-L511 HydrophobicContact CG2-CD1 3.83Å; T425-L511 HydrophobicContact CG2-CD1 4.45Å; R494-L511 HydrophobicContact CB-CD2 4.11Å; R494-L511 WeakPolarHBondContact O-CA 3.45Å; F495-L511 HydrophobicContact CD1-CD2 4.07Å; F495-L511 HydrophobicContact CE1-CD2 3.76Å; F495-L511 HydrophobicContact CE1-CG 4.41Å; F495-L511 HydrophobicContact CZ-CD2 4.27Å; L511-A513 PolarHBondContact O-N 3.39Å; L511-T514 VanDerWaalsContact O-CB 3.29Å; L511-T514 WeakPolarHBondContact O-CB 3.49Å; L511-T514 PolarHBondContact O-N 3.41Å; L511-T514 VanDerWaalsContact O-N 3.15Å; L511-T514 PolarHBondContact O-OG1 3.06Å
512	V	93.8	Very high	88.4	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.055	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-58.6	-37.7	174.6	172.9	0	0	0	0	110.4	F491 R494 M496 L510 T514 F515 W516 L519	F491-V512 HydrophobicContact CD1-CG2 3.83Å; F491-V512 HydrophobicContact CE1-CG1 4.47Å; F491-V512 HydrophobicContact CE1-CG2 4.2Å; R494-V512 PolarHBondContact O-N 3.17Å; M496-V512 HydrophobicContact CB-CG2 4.08Å; M496-V512 HydrophobicContact CG-CG2 4.22Å; L510-V512 PolarHBondContact O-N 2.71Å; V512-T514 PolarHBondContact O-N 3.1Å; V512-T514 VanDerWaalsContact O-N 3.13Å; V512-F515 PolarHBondContact O-N 3.38Å; V512-W516 HydrophobicContact CG1-CB 4.49Å; V512-W516 HydrophobicContact CG1-CE3 4.08Å; V512-W516 PolarHBondContact O-N 3.33Å; V512-L519 HydrophobicContact CG1-CB 4.47Å; V512-L519 HydrophobicContact CG1-CD1 3.85Å
513	A	92.3	Very high	89.4	Confident	23 Å²	23	47.1 Å²	47.1	19%	0.19	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.9	179.9	0	0	0	0	0	114	T423 Y424 T425 L511 F515	T423-A513 HydrophobicContact CG2-CB 4.49Å; Y424-A513 WeakPolarHBondContact O-CB 3.48Å; T425-A513 HydrophobicContact CG2-CB 4Å; L511-A513 PolarHBondContact O-N 3.39Å; A513-F515 PolarHBondContact O-N 2.82Å
514	T	89	Confident	90.5	Very high	51 Å²	51	37.2 Å²	37.2	31%	0.313	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-59.5	-28.8	172.8	-56.2	0	0	0	0	112.2	T423 L511 V512	T423-T514 WeakPolarHBondContact CG2-OG1 3.48Å; L511-T514 VanDerWaalsContact O-CB 3.29Å; L511-T514 WeakPolarHBondContact O-CB 3.49Å; L511-T514 PolarHBondContact O-N 3.41Å; L511-T514 VanDerWaalsContact O-N 3.15Å; L511-T514 PolarHBondContact O-OG1 3.06Å; V512-T514 PolarHBondContact O-N 3.1Å; V512-T514 VanDerWaalsContact O-N 3.13Å
515	F	89.4	Confident	91.3	Very high	48 Å²	48	36.4 Å²	36.4	21%	0.211	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-31.5	-179.4	-60	-93.1	0	0	0	112.6	M496 L510 V512 A513 S549	M496-F515 HydrophobicContact CE-CD2 3.09Å; M496-F515 HydrophobicContact CE-CE2 3.11Å; M496-F515 HydrophobicContact CE-CG 4.06Å; M496-F515 HydrophobicContact CE-CZ 4.09Å; M496-F515 HydrophobicContact SD-CD2 4.49Å; L510-F515 HydrophobicContact CD1-CE2 4.33Å; V512-F515 PolarHBondContact O-N 3.38Å; A513-F515 PolarHBondContact O-N 2.82Å; F515-S549 WeakPolarHBondContact O-CB 3.34Å
516	W	92.8	Very high	92	Very high	11 Å²	11	29.5 Å²	29.5	4%	0.042	17%	0.169	C	C	.	.			trans	-136.9	73.3	-173.8	-57.6	-63.5	0	0	0	110.9	I484 F489 F491 M496 V512 D518 L519 F537 Y546 A548	I484-W516 HydrophobicContact CD1-CH2 4.13Å; I484-W516 HydrophobicContact CD1-CZ2 4.33Å; F489-W516 HydrophobicContact CD1-CH2 4.36Å; F489-W516 HydrophobicContact CE1-CH2 4.16Å; F491-W516 HydrophobicContact CE1-CE3 4.22Å; F491-W516 AromaticContact CE1-CZ3 3.7Å; F491-W516 HydrophobicContact CE1-CZ3 3.7Å; F491-W516 HydrophobicContact CZ-CH2 4.18Å; F491-W516 AromaticContact CZ-CZ3 3.75Å; F491-W516 HydrophobicContact CZ-CZ3 3.75Å; M496-W516 HydrophobicContact CE-CZ3 4.36Å; M496-W516 HydrophobicContact SD-CE3 4.45Å; M496-W516 HydrophobicContact SD-CH2 4.48Å; M496-W516 HydrophobicContact SD-CZ3 3.64Å; V512-W516 HydrophobicContact CG1-CB 4.49Å; V512-W516 HydrophobicContact CG1-CE3 4.08Å; V512-W516 PolarHBondContact O-N 3.33Å; W516-D518 VanDerWaalsContact C-N 3.31Å; W516-D518 PolarHBondContact O-N 3.09Å; W516-L519 HydrophobicContact CB-CB 4.44Å; W516-L519 HydrophobicContact CB-CD1 3.43Å; W516-L519 VanDerWaalsContact CB-CD1 3.43Å; W516-L519 HydrophobicContact CB-CG 3.75Å; W516-L519 HydrophobicContact CD2-CD1 4.41Å; W516-L519 HydrophobicContact CG-CD1 3.99Å; W516-L519 WeakPolarHBondContact O-CB 3.12Å; W516-L519 PolarHBondContact O-N 3.23Å; W516-F537 HydrophobicContact CD2-CE1 4.48Å; W516-F537 AromaticContact CD2-CE2 4Å; W516-F537 HydrophobicContact CD2-CE2 4Å; W516-F537 AromaticContact CD2-CZ 3.61Å; W516-F537 HydrophobicContact CD2-CZ 3.61Å; W516-F537 AromaticContact CE2-CE2 3.83Å; W516-F537 AromaticContact CE2-CZ 3.6Å; W516-F537 HydrophobicContact CE3-CE1 4.33Å; W516-F537 AromaticContact CE3-CZ 3.81Å; W516-F537 HydrophobicContact CE3-CZ 3.81Å; W516-F537 HydrophobicContact CG-CE2 4.19Å; W516-F537 HydrophobicContact CG-CZ 4.22Å; W516-F537 AromaticContact CH2-CZ 3.96Å; W516-F537 HydrophobicContact CH2-CZ 3.96Å; W516-F537 HydrophobicContact CZ2-CE2 4.3Å; W516-F537 AromaticContact CZ2-CZ 3.78Å; W516-F537 HydrophobicContact CZ2-CZ 3.78Å; W516-F537 HydrophobicContact CZ3-CE1 4.46Å; W516-F537 AromaticContact CZ3-CZ 3.97Å; W516-F537 HydrophobicContact CZ3-CZ 3.97Å; W516-F537 AromaticContact NE1-CE2 3.93Å; W516-Y546 HydrophobicContact CB-CE1 4.4Å; W516-Y546 HydrophobicContact CB-CE2 4.21Å; W516-Y546 AromaticContact CD1-CD1 3.39Å; W516-Y546 AromaticContact CD1-CD2 3.68Å; W516-Y546 AromaticContact CD1-CE1 3.65Å; W516-Y546 AromaticContact CD1-CE2 3.9Å; W516-Y546 AromaticContact CD1-CG 3.41Å; W516-Y546 VanDerWaalsContact CD1-CG 3.41Å; W516-Y546 AromaticContact CD1-CZ 3.9Å; W516-Y546 HydrophobicContact CG-CD1 4.49Å; W516-Y546 HydrophobicContact CG-CD2 4.4Å; W516-Y546 HydrophobicContact CG-CE1 4.44Å; W516-Y546 HydrophobicContact CG-CE2 4.32Å; W516-Y546 HydrophobicContact CG-CG 4.47Å; W516-Y546 AromaticContact NE1-CG 3.82Å; W516-A548 PolarHBondContact NE1-O 2.84Å
517	P	90.4	Very high	92.3	Very high	39 Å²	39	29.5 Å²	29.5	25%	0.253	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.2	-172.1	25.9	-34.9	0	0	0	114.7	Y424 L519	Y424-P517 HydrophobicContact CD1-CB 3.78Å; Y424-P517 HydrophobicContact CE1-CB 4.3Å; P517-L519 VanDerWaalsContact C-N 3.28Å
518	D	91.2	Very high	92.5	Very high	57 Å²	57	28.8 Å²	28.8	31%	0.305	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.2	177.1	-39.9	-91.3	0	0	0	113.5	W516 W544 Y546 L551	W516-D518 VanDerWaalsContact C-N 3.31Å; W516-D518 PolarHBondContact O-N 3.09Å; D518-W544 PolarHBondContact O-NE1 2.86Å; D518-W544 VanDerWaalsContact O-NE1 3.15Å; D518-Y546 VanDerWaalsContact CB-OH 3.27Å; D518-Y546 WeakPolarHBondContact CB-OH 3.42Å; D518-Y546 PolarHBondContact OD2-OH 3.49Å; D518-L551 HydrophobicContact CB-CD2 4.01Å
519	L	93.5	Very high	92.7	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.079	15%	0.15	C	C	.	.	S	Bend	trans	-70.4	145.9	174.9	-71.5	-180	0	0	0	110.4	V512 W516 P517 I523 F537 W544 Y546	V512-L519 HydrophobicContact CG1-CB 4.47Å; V512-L519 HydrophobicContact CG1-CD1 3.85Å; W516-L519 HydrophobicContact CB-CB 4.44Å; W516-L519 HydrophobicContact CB-CD1 3.43Å; W516-L519 VanDerWaalsContact CB-CD1 3.43Å; W516-L519 HydrophobicContact CB-CG 3.75Å; W516-L519 HydrophobicContact CD2-CD1 4.41Å; W516-L519 HydrophobicContact CG-CD1 3.99Å; W516-L519 WeakPolarHBondContact O-CB 3.12Å; W516-L519 PolarHBondContact O-N 3.23Å; P517-L519 VanDerWaalsContact C-N 3.28Å; L519-I523 HydrophobicContact CD1-CG2 4.22Å; L519-F537 HydrophobicContact CD1-CB 4.33Å; L519-F537 HydrophobicContact CD1-CD1 3.66Å; L519-F537 HydrophobicContact CD1-CD2 4.02Å; L519-F537 HydrophobicContact CD1-CE1 3.85Å; L519-F537 HydrophobicContact CD1-CE2 4.2Å; L519-F537 HydrophobicContact CD1-CG 3.74Å; L519-F537 HydrophobicContact CD1-CZ 4.12Å; L519-F537 HydrophobicContact CD2-CB 3.64Å; L519-F537 HydrophobicContact CD2-CD2 4.25Å; L519-F537 HydrophobicContact CD2-CG 3.91Å; L519-W544 HydrophobicContact CD2-CB 3.85Å; L519-W544 HydrophobicContact CD2-CD2 3.79Å; L519-W544 HydrophobicContact CD2-CE3 4.13Å; L519-W544 HydrophobicContact CD2-CG 3.66Å; L519-Y546 HydrophobicContact CD2-CE2 4.08Å; L519-Y546 HydrophobicContact CG-CE2 4.11Å
520	P	92.6	Very high	92.1	Very high	37 Å²	37	28.9 Å²	28.9	24%	0.24	16%	0.157	C	C	.	.			trans	-65.3	167.4	171	26.9	-31.8	0	0	0	111.3	K522 S539 W544	P520-K522 PolarHBondContact O-N 3.4Å; P520-S539 WeakPolarHBondContact CG-OG 3.45Å; P520-W544 HydrophobicContact CG-CH2 4.08Å; P520-W544 HydrophobicContact CG-CZ2 4.44Å; P520-W544 HydrophobicContact CG-CZ3 4.44Å
521	E	87	Confident	91.5	Very high	60 Å²	60	31.3 Å²	31.3	28%	0.28	17%	0.167	S	C	.	.	S	Bend	trans	-57.6	-19	179.6	-66.8	-161.7	144.4	0	0	113.8	R429 D493 R494	R429-E521 WeakPolarHBondContact CD-OE1 3.23Å; R429-E521 IonicContact NH1-OE2 3.94Å; D493-E521 CarbonylContact C-O 3.08Å; D493-E521 WeakPolarHBondContact CA-O 3.35Å; R494-E521 WeakPolarHBondContact CA-O 3.27Å; R494-E521 VanDerWaalsContact CD-CD 3.49Å; R494-E521 VanDerWaalsContact CD-OE1 3.29Å; R494-E521 WeakPolarHBondContact CD-OE1 3.29Å; R494-E521 HydrophobicContact CG-CB 3.72Å; R494-E521 HydrophobicContact CG-CG 4.04Å; R494-E521 WeakPolarHBondContact CG-O 3.27Å; R494-E521 IonicContact CZ-OE1 2.77Å; R494-E521 PolarHBondContact N-O 3.41Å; R494-E521 IonicContact NE-OE1 3.86Å; R494-E521 IonicContact NH1-OE1 3.19Å; R494-E521 PolarHBondContact NH1-OE1 3.09Å
522	K	92.4	Very high	91	Very high	77 Å²	77	34.4 Å²	34.4	34%	0.335	18%	0.184	S	C	.	.			trans	-143.9	130.3	-179.7	-177.1	-179.4	-176.8	175.5	0	109.7	D479 P520 S539	D479-K522 HydrophobicContact CB-CG 4.45Å; D479-K522 WeakPolarHBondContact OD1-CE 3.33Å; D479-K522 IonicContact OD1-NZ 2.62Å; D479-K522 PolarHBondContact OD1-NZ 3.1Å; P520-K522 PolarHBondContact O-N 3.4Å; K522-S539 PolarHBondContact O-OG 2.88Å
523	I	96.6	Very high	90.7	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	21%	0.209	C	C	.	.			trans	-95.2	162.9	169.1	66.9	168.1	0	0	0	110.3	D479 F491 L519 V526 F537	D479-I523 WeakPolarHBondContact CB-O 3.48Å; F491-I523 HydrophobicContact CB-CD1 3.67Å; F491-I523 HydrophobicContact CB-CG1 4.03Å; F491-I523 HydrophobicContact CD1-CD1 3.78Å; F491-I523 HydrophobicContact CD2-CD1 3.88Å; F491-I523 HydrophobicContact CE1-CD1 4.39Å; F491-I523 HydrophobicContact CE2-CD1 4.47Å; F491-I523 HydrophobicContact CG-CD1 3.5Å; F491-I523 VanDerWaalsContact CG-CD1 3.5Å; F491-I523 HydrophobicContact CG-CG1 4.34Å; L519-I523 HydrophobicContact CD1-CG2 4.22Å; I523-V526 HydrophobicContact CD1-CB 4.03Å; I523-V526 HydrophobicContact CD1-CG1 3.89Å; I523-F537 HydrophobicContact CD1-CD1 3.9Å; I523-F537 HydrophobicContact CD1-CE1 4.3Å; I523-F537 HydrophobicContact CG2-CD1 4.18Å
524	D	97.6	Very high	90.7	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.07	21%	0.21	C	C	.	.	S	Bend	trans	-113.8	-27	177	-61.7	-48.4	0	0	0	113.2	D479 F538 S539 G540 R570 V571 D572	D479-D524 CarbonylContact O-C 3.57Å; D479-D524 VanDerWaalsContact O-C 3.27Å; D479-D524 VanDerWaalsContact O-O 3.07Å; D524-F538 PolarHBondContact N-O 3.04Å; D524-S539 WeakPolarHBondContact OD2-CA 3.47Å; D524-G540 PolarHBondContact OD2-N 2.92Å; D524-R570 HydrophobicContact CB-CG 4.2Å; D524-R570 IonicContact OD1-CZ 3.9Å; D524-R570 IonicContact OD1-NE 2.82Å; D524-R570 PolarHBondContact OD1-NE 3.47Å; D524-R570 IonicContact OD1-NH2 3.73Å; D524-R570 PolarHBondContact OD1-NH2 3.03Å; D524-R570 WeakPolarHBondContact OD2-CG 3.44Å; D524-R570 IonicContact OD2-NE 3.61Å; D524-R570 PolarHBondContact OD2-NE 3.47Å; D524-V571 CarbonylContact C-O 3.42Å; D524-V571 WeakPolarHBondContact CB-O 3.26Å; D524-D572 VanDerWaalsContact O-O 3.13Å
525	A	97.8	Very high	91	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	157.3	173.9	0	0	0	0	0	110.6	F538 V571 A574	A525-F538 HydrophobicContact CB-CB 4.17Å; A525-F538 HydrophobicContact CB-CD2 3.91Å; A525-F538 HydrophobicContact CB-CG 4.41Å; A525-F538 PolarHBondContact N-O 2.78Å; A525-F538 PolarHBondContact O-N 3.08Å; A525-V571 HydrophobicContact CB-CB 4.48Å; A525-V571 HydrophobicContact CB-CG1 3.75Å; A525-A574 HydrophobicContact CB-CB 4.13Å
526	V	97.6	Very high	91.3	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.8	178.1	51.6	0	0	0	0	110.5	A482 I484 F491 I523 V536 F537	A482-V526 HydrophobicContact CB-CB 4.36Å; A482-V526 HydrophobicContact CB-CG1 3.74Å; A482-V526 HydrophobicContact CB-CG2 4.04Å; I484-V526 HydrophobicContact CD1-CG2 4.05Å; F491-V526 HydrophobicContact CD2-CG1 3.81Å; F491-V526 HydrophobicContact CE2-CG1 3.8Å; F491-V526 HydrophobicContact CE2-CG2 4.41Å; I523-V526 HydrophobicContact CD1-CB 4.03Å; I523-V526 HydrophobicContact CD1-CG1 3.89Å; V526-V536 VanDerWaalsContact CA-O 3.29Å; V526-V536 WeakPolarHBondContact CA-O 3.49Å; V526-F537 HydrophobicContact CB-CD1 3.84Å; V526-F537 HydrophobicContact CB-CE1 4.1Å; V526-F537 HydrophobicContact CG2-CD1 3.61Å; V526-F537 HydrophobicContact CG2-CE1 3.48Å; V526-F537 VanDerWaalsContact CG2-CE1 3.48Å; V526-F537 HydrophobicContact CG2-CG 4.24Å; V526-F537 HydrophobicContact CG2-CZ 4.01Å
527	Y	95.4	Very high	91.6	Very high	8 Å²	8	36.3 Å²	36.3	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	164.5	168.4	74.5	-77.6	0	0	0	111.5	A529 V536 F538 A574 N576 T583 E596	Y527-A529 HydrophobicContact CE2-CB 4.16Å; Y527-V536 HydrophobicContact CD1-CB 3.9Å; Y527-V536 HydrophobicContact CD1-CG1 4.32Å; Y527-V536 HydrophobicContact CE1-CB 3.41Å; Y527-V536 VanDerWaalsContact CE1-CB 3.41Å; Y527-V536 HydrophobicContact CE1-CG1 3.52Å; Y527-V536 HydrophobicContact CE1-CG2 4.03Å; Y527-V536 HydrophobicContact CE2-CB 4.4Å; Y527-V536 HydrophobicContact CE2-CG2 4.23Å; Y527-V536 PolarHBondContact N-O 3.18Å; Y527-V536 PolarHBondContact O-N 2.84Å; Y527-F538 AromaticContact CD1-CE2 3.76Å; Y527-F538 HydrophobicContact CD1-CE2 3.76Å; Y527-F538 AromaticContact CE1-CE2 3.53Å; Y527-F538 HydrophobicContact CE1-CE2 3.53Å; Y527-F538 AromaticContact CE1-CZ 3.87Å; Y527-F538 HydrophobicContact CE1-CZ 3.87Å; Y527-A574 HydrophobicContact CD1-CB 3.75Å; Y527-A574 HydrophobicContact CE1-CB 4.43Å; Y527-A574 HydrophobicContact CG-CB 4.44Å; Y527-N576 HydrophobicContact CD2-CB 4.32Å; Y527-T583 HydrophobicContact CD1-CG2 4.27Å; Y527-T583 HydrophobicContact CD2-CG2 3.88Å; Y527-T583 HydrophobicContact CE1-CG2 3.89Å; Y527-T583 HydrophobicContact CE2-CG2 3.47Å; Y527-T583 VanDerWaalsContact CE2-CG2 3.47Å; Y527-T583 HydrophobicContact CG-CG2 4.27Å; Y527-T583 VanDerWaalsContact CZ-CG2 3.49Å; Y527-E596 PolarHBondContact OH-OE1 3.01Å; Y527-E596 VanDerWaalsContact OH-OE1 3.11Å
528	E	93.1	Very high	91.9	Very high	34 Å²	34	34.5 Å²	34.5	16%	0.159	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.9	169.3	-176.7	174.5	-112.2	0	0	110.7	Q483 R485 P530 K534	Q483-E528 WeakPolarHBondContact O-CB 3.23Å; R485-E528 PolarHBondContact N-OE1 2.81Å; R485-E528 PolarHBondContact N-OE2 2.7Å; E528-P530 WeakPolarHBondContact O-CD 3.42Å; E528-K534 CarbonylContact C-O 3.59Å; E528-K534 WeakPolarHBondContact CA-O 3.39Å
529	A	90.1	Very high	92.2	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.2	171.1	0	0	0	0	0	109.2	Y527 Q531 D532 E533 K534 V536	Y527-A529 HydrophobicContact CE2-CB 4.16Å; A529-Q531 VanDerWaalsContact C-N 3.27Å; A529-Q531 PolarHBondContact O-N 3.21Å; A529-Q531 VanDerWaalsContact O-N 3.17Å; A529-D532 PolarHBondContact O-N 3.18Å; A529-E533 PolarHBondContact O-N 3.44Å; A529-K534 PolarHBondContact N-O 3.44Å; A529-K534 PolarHBondContact O-N 2.77Å; A529-V536 HydrophobicContact CB-CG2 4.48Å
530	P	79.6	Confident	92.3	Very high	53 Å²	53	33.3 Å²	33.3	34%	0.344	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.9	-165.1	29.1	-37.4	0	0	0	114.8	E528 N576	E528-P530 WeakPolarHBondContact O-CD 3.42Å; P530-N576 VanDerWaalsContact CD-CG 3.46Å; P530-N576 HydrophobicContact CG-CB 4.35Å; P530-N576 WeakPolarHBondContact CG-OD1 3.38Å
531	Q	76.9	Confident	92.4	Very high	91 Å²	91	35.7 Å²	35.7	43%	0.425	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-35.1	-180	-63.2	-162.3	-27.9	0	0	112.4	A529 E597	A529-Q531 VanDerWaalsContact C-N 3.27Å; A529-Q531 PolarHBondContact O-N 3.21Å; A529-Q531 VanDerWaalsContact O-N 3.17Å; Q531-E597 PolarHBondContact NE2-OE1 3.12Å
532	D	81.4	Confident	92.9	Very high	83 Å²	83	36 Å²	36	44%	0.444	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	2	-172.1	-55.1	-43.3	0	0	0	111.9	A529 K534 K599	A529-D532 PolarHBondContact O-N 3.18Å; D532-K534 HydrophobicContact CB-CD 3.91Å; D532-K534 HydrophobicContact CB-CG 3.74Å; D532-K534 WeakPolarHBondContact O-CG 3.48Å; D532-K534 PolarHBondContact O-N 3.48Å; D532-K599 IonicContact OD2-NZ 2.99Å; D532-K599 PolarHBondContact OD2-NZ 2.8Å
533	E	87.8	Confident	93.2	Very high	121 Å²	121	33.2 Å²	33.2	57%	0.565	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	41.6	-174.2	-61.7	-179.5	177.3	0	0	112.8	A529	A529-E533 PolarHBondContact O-N 3.44Å
534	K	92.8	Very high	93.2	Very high	52 Å²	52	33.7 Å²	33.7	23%	0.226	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.4	-178.1	-65.2	-172.7	-177.8	-158.8	0	110.9	E528 A529 D532 V545 Y546 S547 D552	E528-K534 CarbonylContact C-O 3.59Å; E528-K534 WeakPolarHBondContact CA-O 3.39Å; A529-K534 PolarHBondContact N-O 3.44Å; A529-K534 PolarHBondContact O-N 2.77Å; D532-K534 HydrophobicContact CB-CD 3.91Å; D532-K534 HydrophobicContact CB-CG 3.74Å; D532-K534 WeakPolarHBondContact O-CG 3.48Å; D532-K534 PolarHBondContact O-N 3.48Å; K534-V545 HydrophobicContact CB-CG1 3.99Å; K534-V545 HydrophobicContact CD-CG1 3.78Å; K534-V545 HydrophobicContact CG-CG1 4.42Å; K534-Y546 CarbonylContact C-O 3.55Å; K534-Y546 VanDerWaalsContact CA-O 3.27Å; K534-Y546 WeakPolarHBondContact CA-O 3.4Å; K534-S547 WeakPolarHBondContact CE-OG 3.29Å; K534-S547 PolarHBondContact NZ-OG 2.85Å; K534-D552 IonicContact NZ-OD1 3.86Å; K534-D552 IonicContact NZ-OD2 3.42Å; K534-D552 PolarHBondContact NZ-OD2 3.47Å
535	A	95.4	Very high	93.1	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.7	170.9	0	0	0	0	0	109.3	I484 F537 V545 Y546	I484-A535 HydrophobicContact CD1-CB 4.16Å; I484-A535 HydrophobicContact CG1-CB 4.49Å; I484-A535 HydrophobicContact CG2-CB 4.19Å; A535-F537 HydrophobicContact CB-CD2 4.42Å; A535-F537 HydrophobicContact CB-CE2 3.63Å; A535-F537 HydrophobicContact CB-CZ 4.18Å; A535-V545 CarbonylContact O-C 3.58Å; A535-V545 WeakPolarHBondContact O-CA 3.34Å; A535-Y546 PolarHBondContact N-O 3.03Å; A535-Y546 PolarHBondContact O-N 3.19Å
536	V	96.4	Very high	92.9	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.7	179.8	-176	0	0	0	0	108.5	V526 Y527 A529 F538 Y543 W544 V545	V526-V536 VanDerWaalsContact CA-O 3.29Å; V526-V536 WeakPolarHBondContact CA-O 3.49Å; Y527-V536 HydrophobicContact CD1-CB 3.9Å; Y527-V536 HydrophobicContact CD1-CG1 4.32Å; Y527-V536 HydrophobicContact CE1-CB 3.41Å; Y527-V536 VanDerWaalsContact CE1-CB 3.41Å; Y527-V536 HydrophobicContact CE1-CG1 3.52Å; Y527-V536 HydrophobicContact CE1-CG2 4.03Å; Y527-V536 HydrophobicContact CE2-CB 4.4Å; Y527-V536 HydrophobicContact CE2-CG2 4.23Å; Y527-V536 PolarHBondContact N-O 3.18Å; Y527-V536 PolarHBondContact O-N 2.84Å; A529-V536 HydrophobicContact CB-CG2 4.48Å; V536-F538 HydrophobicContact CG1-CE2 4.13Å; V536-F538 HydrophobicContact CG1-CZ 4.15Å; V536-Y543 HydrophobicContact CG1-CD2 4.02Å; V536-W544 WeakPolarHBondContact CA-O 3.38Å; V536-V545 HydrophobicContact CG1-CG2 4.25Å; V536-V545 HydrophobicContact CG2-CG1 4.39Å; V536-V545 HydrophobicContact CG2-CG2 4.16Å
537	F	97.7	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.8	-177.8	-63.4	-93.7	0	0	0	110.1	I484 F491 W516 L519 I523 V526 A535 Y543 W544 Y546	I484-F537 HydrophobicContact CD1-CZ 4.27Å; F491-F537 AromaticContact CE1-CE1 3.91Å; F491-F537 HydrophobicContact CE1-CE1 3.91Å; F491-F537 HydrophobicContact CE2-CE1 4.4Å; F491-F537 AromaticContact CZ-CE1 3.73Å; F491-F537 HydrophobicContact CZ-CE1 3.73Å; F491-F537 HydrophobicContact CZ-CZ 4.29Å; W516-F537 HydrophobicContact CD2-CE1 4.48Å; W516-F537 AromaticContact CD2-CE2 4Å; W516-F537 HydrophobicContact CD2-CE2 4Å; W516-F537 AromaticContact CD2-CZ 3.61Å; W516-F537 HydrophobicContact CD2-CZ 3.61Å; W516-F537 AromaticContact CE2-CE2 3.83Å; W516-F537 AromaticContact CE2-CZ 3.6Å; W516-F537 HydrophobicContact CE3-CE1 4.33Å; W516-F537 AromaticContact CE3-CZ 3.81Å; W516-F537 HydrophobicContact CE3-CZ 3.81Å; W516-F537 HydrophobicContact CG-CE2 4.19Å; W516-F537 HydrophobicContact CG-CZ 4.22Å; W516-F537 AromaticContact CH2-CZ 3.96Å; W516-F537 HydrophobicContact CH2-CZ 3.96Å; W516-F537 HydrophobicContact CZ2-CE2 4.3Å; W516-F537 AromaticContact CZ2-CZ 3.78Å; W516-F537 HydrophobicContact CZ2-CZ 3.78Å; W516-F537 HydrophobicContact CZ3-CE1 4.46Å; W516-F537 AromaticContact CZ3-CZ 3.97Å; W516-F537 HydrophobicContact CZ3-CZ 3.97Å; W516-F537 AromaticContact NE1-CE2 3.93Å; L519-F537 HydrophobicContact CD1-CB 4.33Å; L519-F537 HydrophobicContact CD1-CD1 3.66Å; L519-F537 HydrophobicContact CD1-CD2 4.02Å; L519-F537 HydrophobicContact CD1-CE1 3.85Å; L519-F537 HydrophobicContact CD1-CE2 4.2Å; L519-F537 HydrophobicContact CD1-CG 3.74Å; L519-F537 HydrophobicContact CD1-CZ 4.12Å; L519-F537 HydrophobicContact CD2-CB 3.64Å; L519-F537 HydrophobicContact CD2-CD2 4.25Å; L519-F537 HydrophobicContact CD2-CG 3.91Å; I523-F537 HydrophobicContact CD1-CD1 3.9Å; I523-F537 HydrophobicContact CD1-CE1 4.3Å; I523-F537 HydrophobicContact CG2-CD1 4.18Å; V526-F537 HydrophobicContact CB-CD1 3.84Å; V526-F537 HydrophobicContact CB-CE1 4.1Å; V526-F537 HydrophobicContact CG2-CD1 3.61Å; V526-F537 HydrophobicContact CG2-CE1 3.48Å; V526-F537 VanDerWaalsContact CG2-CE1 3.48Å; V526-F537 HydrophobicContact CG2-CG 4.24Å; V526-F537 HydrophobicContact CG2-CZ 4.01Å; A535-F537 HydrophobicContact CB-CD2 4.42Å; A535-F537 HydrophobicContact CB-CE2 3.63Å; A535-F537 HydrophobicContact CB-CZ 4.18Å; F537-Y543 CarbonylContact O-C 3.47Å; F537-Y543 WeakPolarHBondContact O-CA 3.37Å; F537-Y543 VanDerWaalsContact O-CB 3.29Å; F537-Y543 WeakPolarHBondContact O-CB 3.31Å; F537-W544 HydrophobicContact CB-CB 4.44Å; F537-W544 PolarHBondContact N-O 3.38Å; F537-W544 PolarHBondContact O-N 3.31Å; F537-Y546 AromaticContact CD2-CD2 3.89Å; F537-Y546 HydrophobicContact CD2-CD2 3.89Å; F537-Y546 HydrophobicContact CD2-CE2 4.43Å; F537-Y546 HydrophobicContact CE2-CD2 4.01Å
538	F	98.1	Very high	91.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.8	174.4	-62.7	-86.9	0	0	0	109.6	D524 A525 Y527 V536 Y543 L559 L562 V571 A574 I585	D524-F538 PolarHBondContact N-O 3.04Å; A525-F538 HydrophobicContact CB-CB 4.17Å; A525-F538 HydrophobicContact CB-CD2 3.91Å; A525-F538 HydrophobicContact CB-CG 4.41Å; A525-F538 PolarHBondContact N-O 2.78Å; A525-F538 PolarHBondContact O-N 3.08Å; Y527-F538 AromaticContact CD1-CE2 3.76Å; Y527-F538 HydrophobicContact CD1-CE2 3.76Å; Y527-F538 AromaticContact CE1-CE2 3.53Å; Y527-F538 HydrophobicContact CE1-CE2 3.53Å; Y527-F538 AromaticContact CE1-CZ 3.87Å; Y527-F538 HydrophobicContact CE1-CZ 3.87Å; V536-F538 HydrophobicContact CG1-CE2 4.13Å; V536-F538 HydrophobicContact CG1-CZ 4.15Å; F538-Y543 HydrophobicContact CE1-CG 4.31Å; F538-L559 HydrophobicContact CD1-CD2 3.58Å; F538-L559 HydrophobicContact CE1-CD2 3.95Å; F538-L562 HydrophobicContact CE1-CD2 3.66Å; F538-L562 HydrophobicContact CZ-CD2 3.9Å; F538-V571 HydrophobicContact CB-CB 4.18Å; F538-V571 HydrophobicContact CD1-CB 4.35Å; F538-V571 HydrophobicContact CD1-CG2 3.99Å; F538-V571 HydrophobicContact CD2-CG1 4.39Å; F538-V571 HydrophobicContact CE1-CG2 4.4Å; F538-V571 HydrophobicContact CG-CB 4.2Å; F538-V571 HydrophobicContact CG-CG1 4.31Å; F538-V571 HydrophobicContact CG-CG2 4.35Å; F538-A574 HydrophobicContact CD2-CB 4.17Å; F538-A574 HydrophobicContact CE2-CB 3.71Å; F538-I585 HydrophobicContact CE1-CD1 4.48Å; F538-I585 HydrophobicContact CZ-CD1 3.98Å
539	S	96.9	Very high	91.3	Very high	19 Å²	19	38 Å²	38	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	125.9	169.2	-175.4	0	0	0	0	109.5	P520 K522 D524 N541 E542	P520-S539 WeakPolarHBondContact CG-OG 3.45Å; K522-S539 PolarHBondContact O-OG 2.88Å; D524-S539 WeakPolarHBondContact OD2-CA 3.47Å; S539-N541 PolarHBondContact O-N 3.16Å; S539-E542 PolarHBondContact N-O 2.96Å; S539-E542 VanDerWaalsContact N-O 3.09Å; S539-E542 PolarHBondContact O-N 3.4Å; S539-E542 VanDerWaalsContact O-N 3.14Å
540	G	95.6	Very high	91	Very high	28 Å²	28	43.5 Å²	43.5	29%	0.289	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-129	-172.3	0	0	0	0	0	111.7	D524 E542 Q569	D524-G540 PolarHBondContact OD2-N 2.92Å; G540-E542 VanDerWaalsContact C-N 3.33Å; G540-Q569 CarbonylContact C-O 3.46Å
541	N	95.4	Very high	91.5	Very high	87 Å²	87	43.3 Å²	43.3	47%	0.465	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	15.8	-178.2	68.9	-17.9	0	0	0	113.6	S539 K558 L559 Q569	S539-N541 PolarHBondContact O-N 3.16Å; N541-K558 CarbonylContact O-C 3.46Å; N541-K558 VanDerWaalsContact O-CA 3.32Å; N541-K558 WeakPolarHBondContact O-CA 3.15Å; N541-L559 PolarHBondContact O-N 3.49Å; N541-Q569 PolarHBondContact N-O 2.75Å
542	E	97.3	Very high	92.1	Very high	68 Å²	68	40.5 Å²	40.5	32%	0.318	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	162.1	-177.8	-66.4	-175.3	132.1	0	0	112.6	S539 G540 W544 P556 K557	S539-E542 PolarHBondContact N-O 2.96Å; S539-E542 VanDerWaalsContact N-O 3.09Å; S539-E542 PolarHBondContact O-N 3.4Å; S539-E542 VanDerWaalsContact O-N 3.14Å; G540-E542 VanDerWaalsContact C-N 3.33Å; E542-W544 HydrophobicContact CB-CH2 3.7Å; E542-W544 HydrophobicContact CB-CZ3 3.75Å; E542-P556 HydrophobicContact CB-CB 4.3Å; E542-K557 CarbonylContact C-O 3.56Å; E542-K557 WeakPolarHBondContact CA-O 3.43Å
543	Y	97.3	Very high	92.3	Very high	17 Å²	17	43.8 Å²	43.8	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.2	172.5	76.2	-72.6	0	0	0	111.9	V536 F537 F538 V545 F555 P556 K557 L559 L562	V536-Y543 HydrophobicContact CG1-CD2 4.02Å; F537-Y543 CarbonylContact O-C 3.47Å; F537-Y543 WeakPolarHBondContact O-CA 3.37Å; F537-Y543 VanDerWaalsContact O-CB 3.29Å; F537-Y543 WeakPolarHBondContact O-CB 3.31Å; F538-Y543 HydrophobicContact CE1-CG 4.31Å; Y543-V545 HydrophobicContact CD2-CG2 4.03Å; Y543-V545 HydrophobicContact CE2-CG2 3.93Å; Y543-F555 HydrophobicContact CD2-CD1 4.44Å; Y543-F555 AromaticContact CD2-CE1 4Å; Y543-F555 HydrophobicContact CD2-CE1 4Å; Y543-F555 HydrophobicContact CE1-CE1 4.32Å; Y543-F555 HydrophobicContact CE2-CD1 4.19Å; Y543-F555 AromaticContact CE2-CE1 3.35Å; Y543-F555 HydrophobicContact CE2-CE1 3.35Å; Y543-F555 HydrophobicContact CE2-CZ 4.11Å; Y543-F555 AromaticContact CZ-CE1 3.52Å; Y543-F555 WeakPolarHBondContact O-CD1 3.34Å; Y543-P556 VanDerWaalsContact O-CA 3.31Å; Y543-P556 WeakPolarHBondContact O-CA 3.4Å; Y543-K557 HydrophobicContact CD1-CB 4.25Å; Y543-K557 WeakPolarHBondContact CD1-O 3.28Å; Y543-K557 HydrophobicContact CE1-CB 3.63Å; Y543-K557 PolarHBondContact N-O 3.03Å; Y543-K557 PolarHBondContact O-N 3.33Å; Y543-L559 HydrophobicContact CD1-CD2 4.36Å; Y543-L562 HydrophobicContact CE1-CB 4.03Å; Y543-L562 HydrophobicContact CE2-CD1 4.08Å
544	W	96.9	Very high	92.2	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.057	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.3	179.7	-66.2	-114	0	0	0	109.3	D518 L519 P520 V536 F537 E542 Y546 L551 P556	D518-W544 PolarHBondContact O-NE1 2.86Å; D518-W544 VanDerWaalsContact O-NE1 3.15Å; L519-W544 HydrophobicContact CD2-CB 3.85Å; L519-W544 HydrophobicContact CD2-CD2 3.79Å; L519-W544 HydrophobicContact CD2-CE3 4.13Å; L519-W544 HydrophobicContact CD2-CG 3.66Å; P520-W544 HydrophobicContact CG-CH2 4.08Å; P520-W544 HydrophobicContact CG-CZ2 4.44Å; P520-W544 HydrophobicContact CG-CZ3 4.44Å; V536-W544 WeakPolarHBondContact CA-O 3.38Å; F537-W544 HydrophobicContact CB-CB 4.44Å; F537-W544 PolarHBondContact N-O 3.38Å; F537-W544 PolarHBondContact O-N 3.31Å; E542-W544 HydrophobicContact CB-CH2 3.7Å; E542-W544 HydrophobicContact CB-CZ3 3.75Å; W544-Y546 HydrophobicContact CB-CD2 4.18Å; W544-Y546 HydrophobicContact CB-CE2 3.81Å; W544-Y546 HydrophobicContact CG-CE2 4.36Å; W544-L551 HydrophobicContact CB-CD1 4.01Å; W544-L551 HydrophobicContact CG-CD1 4.26Å; W544-P556 HydrophobicContact CD2-CB 3.8Å; W544-P556 VanDerWaalsContact CE2-CB 3.46Å; W544-P556 HydrophobicContact CE3-CB 4.41Å; W544-P556 HydrophobicContact CG-CB 4.13Å; W544-P556 HydrophobicContact CH2-CB 4.28Å; W544-P556 HydrophobicContact CZ2-CB 3.73Å; W544-P556 HydrophobicContact CZ2-CG 3.89Å
545	V	95.8	Very high	92.1	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.085	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.9	175.7	-179.9	0	0	0	0	107.8	K534 A535 V536 Y543 D552 F555	K534-V545 HydrophobicContact CB-CG1 3.99Å; K534-V545 HydrophobicContact CD-CG1 3.78Å; K534-V545 HydrophobicContact CG-CG1 4.42Å; A535-V545 CarbonylContact O-C 3.58Å; A535-V545 WeakPolarHBondContact O-CA 3.34Å; V536-V545 HydrophobicContact CG1-CG2 4.25Å; V536-V545 HydrophobicContact CG2-CG1 4.39Å; V536-V545 HydrophobicContact CG2-CG2 4.16Å; Y543-V545 HydrophobicContact CD2-CG2 4.03Å; Y543-V545 HydrophobicContact CE2-CG2 3.93Å; V545-D552 HydrophobicContact CB-CB 4.3Å; V545-D552 HydrophobicContact CG1-CB 4.38Å; V545-D552 VanDerWaalsContact O-CB 3.31Å; V545-D552 WeakPolarHBondContact O-CB 3.43Å; V545-D552 PolarHBondContact O-N 2.83Å; V545-F555 HydrophobicContact CB-CD1 4.31Å; V545-F555 HydrophobicContact CB-CD2 3.93Å; V545-F555 HydrophobicContact CB-CE1 4.21Å; V545-F555 HydrophobicContact CB-CE2 3.78Å; V545-F555 HydrophobicContact CB-CG 4.18Å; V545-F555 HydrophobicContact CB-CZ 3.93Å; V545-F555 HydrophobicContact CG2-CD1 3.93Å; V545-F555 HydrophobicContact CG2-CD2 4.27Å; V545-F555 HydrophobicContact CG2-CE1 3.5Å; V545-F555 VanDerWaalsContact CG2-CE1 3.5Å; V545-F555 HydrophobicContact CG2-CE2 3.85Å; V545-F555 HydrophobicContact CG2-CG 4.3Å; V545-F555 HydrophobicContact CG2-CZ 3.43Å; V545-F555 VanDerWaalsContact CG2-CZ 3.43Å
546	Y	93.9	Very high	92.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133	-178	-80.3	-90.4	0	0	0	110.8	W516 D518 L519 K534 A535 F537 W544 N550 L551	W516-Y546 HydrophobicContact CB-CE1 4.4Å; W516-Y546 HydrophobicContact CB-CE2 4.21Å; W516-Y546 AromaticContact CD1-CD1 3.39Å; W516-Y546 AromaticContact CD1-CD2 3.68Å; W516-Y546 AromaticContact CD1-CE1 3.65Å; W516-Y546 AromaticContact CD1-CE2 3.9Å; W516-Y546 AromaticContact CD1-CG 3.41Å; W516-Y546 VanDerWaalsContact CD1-CG 3.41Å; W516-Y546 AromaticContact CD1-CZ 3.9Å; W516-Y546 HydrophobicContact CG-CD1 4.49Å; W516-Y546 HydrophobicContact CG-CD2 4.4Å; W516-Y546 HydrophobicContact CG-CE1 4.44Å; W516-Y546 HydrophobicContact CG-CE2 4.32Å; W516-Y546 HydrophobicContact CG-CG 4.47Å; W516-Y546 AromaticContact NE1-CG 3.82Å; D518-Y546 VanDerWaalsContact CB-OH 3.27Å; D518-Y546 WeakPolarHBondContact CB-OH 3.42Å; D518-Y546 PolarHBondContact OD2-OH 3.49Å; L519-Y546 HydrophobicContact CD2-CE2 4.08Å; L519-Y546 HydrophobicContact CG-CE2 4.11Å; K534-Y546 CarbonylContact C-O 3.55Å; K534-Y546 VanDerWaalsContact CA-O 3.27Å; K534-Y546 WeakPolarHBondContact CA-O 3.4Å; A535-Y546 PolarHBondContact N-O 3.03Å; A535-Y546 PolarHBondContact O-N 3.19Å; F537-Y546 AromaticContact CD2-CD2 3.89Å; F537-Y546 HydrophobicContact CD2-CD2 3.89Å; F537-Y546 HydrophobicContact CD2-CE2 4.43Å; F537-Y546 HydrophobicContact CE2-CD2 4.01Å; W544-Y546 HydrophobicContact CB-CD2 4.18Å; W544-Y546 HydrophobicContact CB-CE2 3.81Å; W544-Y546 HydrophobicContact CG-CE2 4.36Å; Y546-N550 WeakPolarHBondContact CA-O 3.11Å; Y546-N550 WeakPolarHBondContact CD1-O 3.16Å; Y546-L551 HydrophobicContact CD1-CB 4.13Å; Y546-L551 VanDerWaalsContact CD1-N 3.3Å; Y546-L551 HydrophobicContact CD2-CD1 4.16Å; Y546-L551 HydrophobicContact CE1-CB 3.58Å; Y546-L551 HydrophobicContact CE1-CD1 4.18Å; Y546-L551 HydrophobicContact CE1-CG 4.46Å; Y546-L551 HydrophobicContact CE2-CD1 3.74Å
547	S	88.7	Confident	92.1	Very high	38 Å²	38	45 Å²	45	27%	0.266	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	104.2	165.9	-62.3	0	0	0	0	107.7	K534 S549 N550 D552	K534-S547 WeakPolarHBondContact CE-OG 3.29Å; K534-S547 PolarHBondContact NZ-OG 2.85Å; S547-S549 PolarHBondContact O-N 2.74Å; S547-N550 PolarHBondContact N-O 3.37Å; S547-N550 PolarHBondContact O-N 3.36Å; S547-N550 VanDerWaalsContact O-N 3.13Å; S547-D552 WeakPolarHBondContact CB-OD1 3.34Å; S547-D552 PolarHBondContact OG-OD1 3.46Å
548	A	81.8	Confident	92	Very high	35 Å²	35	51 Å²	51	29%	0.289	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-120	-164.3	0	0	0	0	0	111.2	R485 W516	R485-A548 VanDerWaalsContact CZ-CA 3.44Å; R485-A548 VanDerWaalsContact NH2-CA 3.28Å; R485-A548 VanDerWaalsContact NH2-CB 3.31Å; R485-A548 VanDerWaalsContact NH2-N 3.15Å; W516-A548 PolarHBondContact NE1-O 2.84Å
549	S	81.6	Confident	91.9	Very high	63 Å²	63	51.2 Å²	51.2	44%	0.441	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	0	175.6	-48.4	0	0	0	0	112.7	F515 S547	F515-S549 WeakPolarHBondContact O-CB 3.34Å; S547-S549 PolarHBondContact O-N 2.74Å
550	N	83.9	Confident	91.8	Very high	121 Å²	121	53.7 Å²	53.7	65%	0.647	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.3	-176.5	-64.2	-41.2	0	0	0	111.2	Y546 S547 D552	Y546-N550 WeakPolarHBondContact CA-O 3.11Å; Y546-N550 WeakPolarHBondContact CD1-O 3.16Å; S547-N550 PolarHBondContact N-O 3.37Å; S547-N550 PolarHBondContact O-N 3.36Å; S547-N550 VanDerWaalsContact O-N 3.13Å; N550-D552 PolarHBondContact O-N 2.74Å
551	L	89.9	Confident	91.7	Very high	49 Å²	49	55.7 Å²	55.7	26%	0.257	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.6	174.8	-177.8	61.8	0	0	0	109.7	D518 W544 Y546 F555	D518-L551 HydrophobicContact CB-CD2 4.01Å; W544-L551 HydrophobicContact CB-CD1 4.01Å; W544-L551 HydrophobicContact CG-CD1 4.26Å; Y546-L551 HydrophobicContact CD1-CB 4.13Å; Y546-L551 VanDerWaalsContact CD1-N 3.3Å; Y546-L551 HydrophobicContact CD2-CD1 4.16Å; Y546-L551 HydrophobicContact CE1-CB 3.58Å; Y546-L551 HydrophobicContact CE1-CD1 4.18Å; Y546-L551 HydrophobicContact CE1-CG 4.46Å; Y546-L551 HydrophobicContact CE2-CD1 3.74Å; L551-F555 HydrophobicContact CD1-CB 3.74Å; L551-F555 HydrophobicContact CG-CB 4.26Å
552	D	89.6	Confident	91.6	Very high	32 Å²	32	51.9 Å²	51.9	17%	0.171	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.7	145.1	178	-88	11.3	0	0	0	110.9	K534 V545 S547 N550 G554 F555	K534-D552 IonicContact NZ-OD1 3.86Å; K534-D552 IonicContact NZ-OD2 3.42Å; K534-D552 PolarHBondContact NZ-OD2 3.47Å; V545-D552 HydrophobicContact CB-CB 4.3Å; V545-D552 HydrophobicContact CG1-CB 4.38Å; V545-D552 VanDerWaalsContact O-CB 3.31Å; V545-D552 WeakPolarHBondContact O-CB 3.43Å; V545-D552 PolarHBondContact O-N 2.83Å; S547-D552 WeakPolarHBondContact CB-OD1 3.34Å; S547-D552 PolarHBondContact OG-OD1 3.46Å; N550-D552 PolarHBondContact O-N 2.74Å; D552-G554 PolarHBondContact O-N 2.87Å; D552-F555 HydrophobicContact CB-CD2 3.57Å; D552-F555 HydrophobicContact CB-CE2 3.92Å; D552-F555 WeakPolarHBondContact O-CB 3.45Å; D552-F555 WeakPolarHBondContact O-CD2 3.38Å; D552-F555 PolarHBondContact O-N 3.36Å
553	R	85.1	Confident	91.4	Very high	152 Å²	152	50.7 Å²	50.7	57%	0.574	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	129.2	-177.8	-175.4	173.6	173.8	166.5	-2.1	112.4	E240	E240-R553 IonicContact OE1-NH1 3.44Å
554	G	86.1	Confident	91.3	Very high	38 Å²	38	50.1 Å²	50.1	39%	0.392	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	8.9	176.2	0	0	0	0	0	114.1	D552 K557	D552-G554 PolarHBondContact O-N 2.87Å; G554-K557 WeakPolarHBondContact O-CE 3.32Å; G554-K557 WeakPolarHBondContact O-CG 3.4Å
555	F	91.3	Very high	91.1	Very high	38 Å²	38	51.4 Å²	51.4	17%	0.167	30%	0.297	C	S	.	.			trans	-95.4	156.3	165	-69.6	-79.5	0	0	0	111	Y543 V545 L551 D552 K557	Y543-F555 HydrophobicContact CD2-CD1 4.44Å; Y543-F555 AromaticContact CD2-CE1 4Å; Y543-F555 HydrophobicContact CD2-CE1 4Å; Y543-F555 HydrophobicContact CE1-CE1 4.32Å; Y543-F555 HydrophobicContact CE2-CD1 4.19Å; Y543-F555 AromaticContact CE2-CE1 3.35Å; Y543-F555 HydrophobicContact CE2-CE1 3.35Å; Y543-F555 HydrophobicContact CE2-CZ 4.11Å; Y543-F555 AromaticContact CZ-CE1 3.52Å; Y543-F555 WeakPolarHBondContact O-CD1 3.34Å; V545-F555 HydrophobicContact CB-CD1 4.31Å; V545-F555 HydrophobicContact CB-CD2 3.93Å; V545-F555 HydrophobicContact CB-CE1 4.21Å; V545-F555 HydrophobicContact CB-CE2 3.78Å; V545-F555 HydrophobicContact CB-CG 4.18Å; V545-F555 HydrophobicContact CB-CZ 3.93Å; V545-F555 HydrophobicContact CG2-CD1 3.93Å; V545-F555 HydrophobicContact CG2-CD2 4.27Å; V545-F555 HydrophobicContact CG2-CE1 3.5Å; V545-F555 VanDerWaalsContact CG2-CE1 3.5Å; V545-F555 HydrophobicContact CG2-CE2 3.85Å; V545-F555 HydrophobicContact CG2-CG 4.3Å; V545-F555 HydrophobicContact CG2-CZ 3.43Å; V545-F555 VanDerWaalsContact CG2-CZ 3.43Å; L551-F555 HydrophobicContact CD1-CB 3.74Å; L551-F555 HydrophobicContact CG-CB 4.26Å; D552-F555 HydrophobicContact CB-CD2 3.57Å; D552-F555 HydrophobicContact CB-CE2 3.92Å; D552-F555 WeakPolarHBondContact O-CB 3.45Å; D552-F555 WeakPolarHBondContact O-CD2 3.38Å; D552-F555 PolarHBondContact O-N 3.36Å; F555-K557 HydrophobicContact CD1-CB 4.19Å; F555-K557 HydrophobicContact CD1-CD 4.13Å; F555-K557 HydrophobicContact CD1-CG 3.8Å; F555-K557 HydrophobicContact CE1-CB 4.25Å; F555-K557 HydrophobicContact CE1-CD 3.73Å; F555-K557 HydrophobicContact CE1-CG 3.9Å; F555-K557 HydrophobicContact CG-CG 4.5Å; F555-K557 HydrophobicContact CZ-CD 4.15Å
556	P	95.2	Very high	91	Very high	51 Å²	51	55.8 Å²	55.8	33%	0.331	33%	0.326	S	S	.	.	S	Bend	cis	-66.2	159.1	-4.1	26.2	-32.9	0	0	0	114.1	E542 Y543 W544	E542-P556 HydrophobicContact CB-CB 4.3Å; Y543-P556 VanDerWaalsContact O-CA 3.31Å; Y543-P556 WeakPolarHBondContact O-CA 3.4Å; W544-P556 HydrophobicContact CD2-CB 3.8Å; W544-P556 VanDerWaalsContact CE2-CB 3.46Å; W544-P556 HydrophobicContact CE3-CB 4.41Å; W544-P556 HydrophobicContact CG-CB 4.13Å; W544-P556 HydrophobicContact CH2-CB 4.28Å; W544-P556 HydrophobicContact CZ2-CB 3.73Å; W544-P556 HydrophobicContact CZ2-CG 3.89Å
557	K	95.6	Very high	90.9	Very high	81 Å²	81	61.7 Å²	61.7	35%	0.352	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158.1	172.9	-63.5	-177.1	-174.9	174.1	0	110.4	E542 Y543 G554 F555 S561	E542-K557 CarbonylContact C-O 3.56Å; E542-K557 WeakPolarHBondContact CA-O 3.43Å; Y543-K557 HydrophobicContact CD1-CB 4.25Å; Y543-K557 WeakPolarHBondContact CD1-O 3.28Å; Y543-K557 HydrophobicContact CE1-CB 3.63Å; Y543-K557 PolarHBondContact N-O 3.03Å; Y543-K557 PolarHBondContact O-N 3.33Å; G554-K557 WeakPolarHBondContact O-CE 3.32Å; G554-K557 WeakPolarHBondContact O-CG 3.4Å; F555-K557 HydrophobicContact CD1-CB 4.19Å; F555-K557 HydrophobicContact CD1-CD 4.13Å; F555-K557 HydrophobicContact CD1-CG 3.8Å; F555-K557 HydrophobicContact CE1-CB 4.25Å; F555-K557 HydrophobicContact CE1-CD 3.73Å; F555-K557 HydrophobicContact CE1-CG 3.9Å; F555-K557 HydrophobicContact CG-CG 4.5Å; F555-K557 HydrophobicContact CZ-CD 4.15Å; K557-S561 WeakPolarHBondContact CB-OG 3.14Å
558	K	96.8	Very high	91.1	Very high	126 Å²	126	60.8 Å²	60.8	55%	0.548	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	147.5	174.6	-64.2	-171	177.3	-175.2	0	111.7	N541 T560 S561	N541-K558 CarbonylContact O-C 3.46Å; N541-K558 VanDerWaalsContact O-CA 3.32Å; N541-K558 WeakPolarHBondContact O-CA 3.15Å; K558-T560 PolarHBondContact O-N 2.98Å; K558-S561 PolarHBondContact O-N 3.4Å; K558-S561 PolarHBondContact O-OG 2.76Å
559	L	96.1	Very high	91.7	Very high	3 Å²	3	66 Å²	66	2%	0.016	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-53.5	-30.3	174.6	-63.2	-174.9	0	0	0	113.4	F538 N541 Y543 S561 L562 G563 L564 V568 V571	F538-L559 HydrophobicContact CD1-CD2 3.58Å; F538-L559 HydrophobicContact CE1-CD2 3.95Å; N541-L559 PolarHBondContact O-N 3.49Å; Y543-L559 HydrophobicContact CD1-CD2 4.36Å; L559-S561 VanDerWaalsContact C-N 3.26Å; L559-S561 PolarHBondContact O-N 2.81Å; L559-L562 WeakPolarHBondContact O-CA 3.39Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.48Å; L559-L562 PolarHBondContact O-N 3.43Å; L559-G563 PolarHBondContact O-N 3.37Å; L559-L564 HydrophobicContact CB-CB 4.18Å; L559-L564 HydrophobicContact CB-CD1 3.93Å; L559-L564 HydrophobicContact CD1-CD1 4.23Å; L559-L564 HydrophobicContact CD2-CD1 4.24Å; L559-L564 HydrophobicContact CG-CD1 4.34Å; L559-L564 PolarHBondContact O-N 3.49Å; L559-V568 HydrophobicContact CD1-CG1 4.33Å; L559-V571 HydrophobicContact CD1-CG2 4.08Å; L559-V571 HydrophobicContact CD2-CG2 4.43Å
560	T	94.9	Very high	92.4	Very high	71 Å²	71	68.3 Å²	68.3	44%	0.436	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-62.4	-30.4	176.9	54.5	0	0	0	0	113.4	K558 L562 G563 L564 P566	K558-T560 PolarHBondContact O-N 2.98Å; T560-L562 PolarHBondContact O-N 2.65Å; T560-G563 PolarHBondContact O-N 2.89Å; T560-G563 VanDerWaalsContact O-N 3.07Å; T560-L564 WeakPolarHBondContact CA-O 2.94Å; T560-P566 HydrophobicContact CG2-CB 4.22Å; T560-P566 HydrophobicContact CG2-CG 4.07Å
561	S	93.9	Very high	93	Very high	70 Å²	70	62.6 Å²	62.6	49%	0.49	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-72.1	-20.4	174.9	72.1	0	0	0	0	112.8	K557 K558 L559	K557-S561 WeakPolarHBondContact CB-OG 3.14Å; K558-S561 PolarHBondContact O-N 3.4Å; K558-S561 PolarHBondContact O-OG 2.76Å; L559-S561 VanDerWaalsContact C-N 3.26Å; L559-S561 PolarHBondContact O-N 2.81Å
562	L	92.4	Very high	93.3	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.037	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-78.9	-11.5	171.5	-165.9	63.9	0	0	0	112	F538 Y543 L559 T560 L564 I585 Y594	F538-L562 HydrophobicContact CE1-CD2 3.66Å; F538-L562 HydrophobicContact CZ-CD2 3.9Å; Y543-L562 HydrophobicContact CE1-CB 4.03Å; Y543-L562 HydrophobicContact CE2-CD1 4.08Å; L559-L562 WeakPolarHBondContact O-CA 3.39Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.48Å; L559-L562 PolarHBondContact O-N 3.43Å; T560-L562 PolarHBondContact O-N 2.65Å; L562-L564 HydrophobicContact CD2-CD1 4.5Å; L562-I585 HydrophobicContact CD2-CD1 3.65Å; L562-Y594 HydrophobicContact CD1-CD2 4.26Å; L562-Y594 HydrophobicContact CD1-CE1 4.18Å; L562-Y594 HydrophobicContact CD1-CE2 3.7Å; L562-Y594 HydrophobicContact CG-CD2 4.43Å; L562-Y594 HydrophobicContact CG-CE2 4.2Å; L562-Y594 WeakPolarHBondContact O-CE2 3.41Å
563	G	93.1	Very high	93.7	Very high	43 Å²	43	60 Å²	60	44%	0.443	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	12.9	-177.7	0	0	0	0	0	114.3	L559 T560	L559-G563 PolarHBondContact O-N 3.37Å; T560-G563 PolarHBondContact O-N 2.89Å; T560-G563 VanDerWaalsContact O-N 3.07Å
564	L	94.3	Very high	94.3	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	30%	0.297	C	S	.	.			trans	-77.5	146.5	169.5	-70.1	167.6	0	0	0	110.6	L559 T560 L562 V571 I585 W592 M601	L559-L564 HydrophobicContact CB-CB 4.18Å; L559-L564 HydrophobicContact CB-CD1 3.93Å; L559-L564 HydrophobicContact CD1-CD1 4.23Å; L559-L564 HydrophobicContact CD2-CD1 4.24Å; L559-L564 HydrophobicContact CG-CD1 4.34Å; L559-L564 PolarHBondContact O-N 3.49Å; T560-L564 WeakPolarHBondContact CA-O 2.94Å; L562-L564 HydrophobicContact CD2-CD1 4.5Å; L564-V571 HydrophobicContact CD1-CG2 4.12Å; L564-I585 HydrophobicContact CD1-CG2 4.33Å; L564-W592 HydrophobicContact CD2-CB 4Å; L564-W592 HydrophobicContact CD2-CD2 3.59Å; L564-W592 HydrophobicContact CD2-CE3 4.11Å; L564-W592 HydrophobicContact CD2-CG 3.53Å; L564-M601 HydrophobicContact CD2-CE 4.24Å; L564-M601 HydrophobicContact CG-CE 4.47Å
565	P	93.4	Very high	94.8	Very high	42 Å²	42	51.2 Å²	51.2	27%	0.273	28%	0.279	S	S	.	.			trans	-72.9	153.3	180	32.7	-35.5	0	0	0	111.3	D567 V568 W592	P565-D567 WeakPolarHBondContact CB-OD1 3.26Å; P565-D567 WeakPolarHBondContact CG-OD1 3.14Å; P565-D567 PolarHBondContact O-N 2.84Å; P565-D567 VanDerWaalsContact O-N 3.14Å; P565-V568 HydrophobicContact CG-CG2 3.85Å; P565-V568 PolarHBondContact O-N 2.85Å; P565-V568 VanDerWaalsContact O-N 3.08Å; P565-W592 HydrophobicContact CG-CZ2 4.04Å
566	P	92.9	Very high	94.9	Very high	107 Å²	107	50.4 Å²	50.4	70%	0.695	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.3	-171.2	-22.3	33.8	0	0	0	116	T560 V568	T560-P566 HydrophobicContact CG2-CB 4.22Å; T560-P566 HydrophobicContact CG2-CG 4.07Å; P566-V568 VanDerWaalsContact C-N 3.34Å
567	D	92.4	Very high	94.6	Very high	123 Å²	123	48.6 Å²	48.6	66%	0.658	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-22.6	174.7	58.7	-35.9	0	0	0	112.7	P565 Q569	P565-D567 WeakPolarHBondContact CB-OD1 3.26Å; P565-D567 WeakPolarHBondContact CG-OD1 3.14Å; P565-D567 PolarHBondContact O-N 2.84Å; P565-D567 VanDerWaalsContact O-N 3.14Å; D567-Q569 PolarHBondContact O-N 2.88Å; D567-Q569 VanDerWaalsContact O-N 3.16Å
568	V	93.8	Very high	94	Very high	19 Å²	19	46.9 Å²	46.9	12%	0.115	27%	0.268	C	S	.	.			trans	-78.7	100.4	172.9	179	0	0	0	0	108.8	L559 P565 P566 R570 A587 W592	L559-V568 HydrophobicContact CD1-CG1 4.33Å; P565-V568 HydrophobicContact CG-CG2 3.85Å; P565-V568 PolarHBondContact O-N 2.85Å; P565-V568 VanDerWaalsContact O-N 3.08Å; P566-V568 VanDerWaalsContact C-N 3.34Å; V568-R570 WeakPolarHBondContact CG1-O 3.32Å; V568-A587 HydrophobicContact CG1-CB 4.15Å; V568-W592 HydrophobicContact CG2-CH2 3.56Å; V568-W592 HydrophobicContact CG2-CZ2 3.62Å; V568-W592 HydrophobicContact CG2-CZ3 4.4Å
569	Q	93.4	Very high	93.3	Very high	144 Å²	144	47.9 Å²	47.9	67%	0.673	27%	0.269	S	S	*	.			trans	-96.3	-4.7	179.3	-61.7	-167.9	0.3	0	0	113.9	G540 N541 D567	G540-Q569 CarbonylContact C-O 3.46Å; N541-Q569 PolarHBondContact N-O 2.75Å; D567-Q569 PolarHBondContact O-N 2.88Å; D567-Q569 VanDerWaalsContact O-N 3.16Å
570	R	95.8	Very high	92.9	Very high	112 Å²	112	50.2 Å²	50.2	42%	0.423	28%	0.281	S	S	.	.			trans	-156.4	150.1	-177.8	-168.8	172.8	-173.7	-129.3	-6.1	110.3	D524 V568 A587	D524-R570 HydrophobicContact CB-CG 4.2Å; D524-R570 IonicContact OD1-CZ 3.9Å; D524-R570 IonicContact OD1-NE 2.82Å; D524-R570 PolarHBondContact OD1-NE 3.47Å; D524-R570 IonicContact OD1-NH2 3.73Å; D524-R570 PolarHBondContact OD1-NH2 3.03Å; D524-R570 WeakPolarHBondContact OD2-CG 3.44Å; D524-R570 IonicContact OD2-NE 3.61Å; D524-R570 PolarHBondContact OD2-NE 3.47Å; V568-R570 WeakPolarHBondContact CG1-O 3.32Å; R570-A587 WeakPolarHBondContact O-CB 3.42Å
571	V	97.1	Very high	92.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.282	C	S	.	.			trans	-115.9	129.1	172.8	171	0	0	0	0	107.5	D524 A525 F538 L559 L564 A573 I585	D524-V571 CarbonylContact C-O 3.42Å; D524-V571 WeakPolarHBondContact CB-O 3.26Å; A525-V571 HydrophobicContact CB-CB 4.48Å; A525-V571 HydrophobicContact CB-CG1 3.75Å; F538-V571 HydrophobicContact CB-CB 4.18Å; F538-V571 HydrophobicContact CD1-CB 4.35Å; F538-V571 HydrophobicContact CD1-CG2 3.99Å; F538-V571 HydrophobicContact CD2-CG1 4.39Å; F538-V571 HydrophobicContact CE1-CG2 4.4Å; F538-V571 HydrophobicContact CG-CB 4.2Å; F538-V571 HydrophobicContact CG-CG1 4.31Å; F538-V571 HydrophobicContact CG-CG2 4.35Å; L559-V571 HydrophobicContact CD1-CG2 4.08Å; L559-V571 HydrophobicContact CD2-CG2 4.43Å; L564-V571 HydrophobicContact CD1-CG2 4.12Å; V571-A573 WeakPolarHBondContact CG1-O 3.1Å; V571-I585 HydrophobicContact CB-CG2 4.21Å; V571-I585 HydrophobicContact CG1-CG2 3.47Å; V571-I585 VanDerWaalsContact CG1-CG2 3.47Å; V571-I585 HydrophobicContact CG2-CG2 3.64Å
572	D	97.1	Very high	92.5	Very high	26 Å²	26	50.5 Å²	50.5	14%	0.139	27%	0.267	C	S	.	.	S	Bend	trans	-91.3	-30.3	-176.8	-50.4	-50.7	0	0	0	112.5	D524 F586 A587 G588 L620	D524-D572 VanDerWaalsContact O-O 3.13Å; D572-F586 PolarHBondContact N-O 3.46Å; D572-A587 WeakPolarHBondContact OD2-CA 3.03Å; D572-G588 PolarHBondContact OD2-N 2.93Å; D572-L620 CarbonylContact C-O 3.42Å; D572-L620 WeakPolarHBondContact CB-O 3.39Å
573	A	97.6	Very high	92.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.6	174.1	0	0	0	0	0	111.7	V571 F586 L620 V623	V571-A573 WeakPolarHBondContact CG1-O 3.1Å; A573-F586 HydrophobicContact CB-CB 4.3Å; A573-F586 HydrophobicContact CB-CD2 4.38Å; A573-F586 PolarHBondContact N-O 3.06Å; A573-F586 PolarHBondContact O-N 3.48Å; A573-L620 HydrophobicContact CB-CB 4.15Å; A573-V623 HydrophobicContact CB-CG2 3.85Å
574	A	97.3	Very high	92.8	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.8	174	0	0	0	0	0	110.6	A525 Y527 F538 Y584	A525-A574 HydrophobicContact CB-CB 4.13Å; Y527-A574 HydrophobicContact CD1-CB 3.75Å; Y527-A574 HydrophobicContact CE1-CB 4.43Å; Y527-A574 HydrophobicContact CG-CB 4.44Å; F538-A574 HydrophobicContact CD2-CB 4.17Å; F538-A574 HydrophobicContact CE2-CB 3.71Å; A574-Y584 VanDerWaalsContact CA-O 3.26Å; A574-Y584 WeakPolarHBondContact CA-O 3.32Å
575	F	95.8	Very high	93	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.5	170.6	80.7	-69.1	0	0	0	111.7	W577 T583 Y584 F586 W613 V623 T632	F575-W577 HydrophobicContact CD2-CB 4.43Å; F575-W577 HydrophobicContact CE2-CB 3.71Å; F575-W577 AromaticContact CE2-CD1 3.85Å; F575-W577 AromaticContact CE2-CG 3.86Å; F575-W577 HydrophobicContact CE2-CG 3.86Å; F575-W577 HydrophobicContact CZ-CB 4.17Å; F575-W577 HydrophobicContact CZ-CG 4.24Å; F575-T583 CarbonylContact O-C 3.53Å; F575-T583 WeakPolarHBondContact O-CA 3.36Å; F575-Y584 HydrophobicContact CE1-CD2 4.39Å; F575-Y584 HydrophobicContact CE1-CG 4.27Å; F575-Y584 HydrophobicContact CZ-CD2 4.4Å; F575-Y584 PolarHBondContact N-O 2.68Å; F575-Y584 PolarHBondContact O-N 3.49Å; F575-F586 AromaticContact CD1-CE2 3.79Å; F575-F586 HydrophobicContact CD1-CE2 3.79Å; F575-F586 AromaticContact CE1-CE2 3.61Å; F575-F586 HydrophobicContact CE1-CE2 3.61Å; F575-F586 AromaticContact CE1-CZ 3.91Å; F575-F586 HydrophobicContact CE1-CZ 3.91Å; F575-W613 HydrophobicContact CE1-CH2 4.38Å; F575-W613 AromaticContact CZ-CH2 3.93Å; F575-W613 HydrophobicContact CZ-CH2 3.93Å; F575-W613 HydrophobicContact CZ-CZ3 4.45Å; F575-V623 HydrophobicContact CB-CB 4.15Å; F575-V623 HydrophobicContact CB-CG1 4.1Å; F575-V623 WeakPolarHBondContact CB-O 3.2Å; F575-V623 HydrophobicContact CD1-CB 3.74Å; F575-V623 HydrophobicContact CD1-CG1 3.35Å; F575-V623 HydrophobicContact CD1-CG2 4.39Å; F575-V623 HydrophobicContact CD2-CG1 4.03Å; F575-V623 HydrophobicContact CE1-CB 4.38Å; F575-V623 HydrophobicContact CE1-CG1 3.64Å; F575-V623 HydrophobicContact CE2-CG1 4.27Å; F575-V623 HydrophobicContact CG-CB 4.06Å; F575-V623 HydrophobicContact CG-CG1 3.56Å; F575-V623 HydrophobicContact CZ-CG1 4.09Å; F575-T632 HydrophobicContact CD2-CG2 4.17Å; F575-T632 HydrophobicContact CE2-CG2 3.56Å; F575-T632 HydrophobicContact CZ-CG2 3.79Å
576	N	93.3	Very high	93.2	Very high	20 Å²	20	46.6 Å²	46.6	11%	0.107	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.5	166.2	-168.3	-83.3	0	0	0	110.3	Y527 P530 G578 T583	Y527-N576 HydrophobicContact CD2-CB 4.32Å; P530-N576 VanDerWaalsContact CD-CG 3.46Å; P530-N576 HydrophobicContact CG-CB 4.35Å; P530-N576 WeakPolarHBondContact CG-OD1 3.38Å; N576-G578 PolarHBondContact O-N 2.99Å; N576-T583 PolarHBondContact ND2-OG1 3.47Å
577	W	89.9	Confident	93.4	Very high	13 Å²	13	42.1 Å²	42.1	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	115.5	-177.8	-164.1	16.4	0	0	0	111.6	F575 R579 N580 K581 R582 Y584 W613 T632 M643 D645 L648	F575-W577 HydrophobicContact CD2-CB 4.43Å; F575-W577 HydrophobicContact CE2-CB 3.71Å; F575-W577 AromaticContact CE2-CD1 3.85Å; F575-W577 AromaticContact CE2-CG 3.86Å; F575-W577 HydrophobicContact CE2-CG 3.86Å; F575-W577 HydrophobicContact CZ-CB 4.17Å; F575-W577 HydrophobicContact CZ-CG 4.24Å; W577-R579 HydrophobicContact CD2-CB 4.16Å; W577-R579 HydrophobicContact CG-CB 4.28Å; W577-R579 PolarHBondContact O-N 2.57Å; W577-N580 PolarHBondContact O-N 3.24Å; W577-K581 WeakPolarHBondContact O-CA 3.45Å; W577-K581 PolarHBondContact O-N 3.43Å; W577-R582 PolarHBondContact N-O 2.93Å; W577-Y584 HydrophobicContact CB-CD2 4.04Å; W577-Y584 HydrophobicContact CB-CE2 3.85Å; W577-Y584 HydrophobicContact CD2-CE2 4.37Å; W577-Y584 HydrophobicContact CE3-CD2 4.48Å; W577-Y584 AromaticContact CE3-CE2 3.59Å; W577-Y584 HydrophobicContact CE3-CE2 3.59Å; W577-Y584 AromaticContact CE3-CZ 3.72Å; W577-Y584 HydrophobicContact CZ3-CE2 4.43Å; W577-W613 HydrophobicContact CD2-CH2 4.33Å; W577-W613 AromaticContact CE3-CH2 3.88Å; W577-W613 HydrophobicContact CE3-CH2 3.88Å; W577-W613 AromaticContact CH2-CH2 3.94Å; W577-W613 HydrophobicContact CH2-CH2 3.94Å; W577-W613 AromaticContact CH2-CZ3 3.88Å; W577-W613 HydrophobicContact CH2-CZ3 3.88Å; W577-W613 HydrophobicContact CZ2-CH2 4.42Å; W577-W613 HydrophobicContact CZ2-CZ3 4.17Å; W577-W613 AromaticContact CZ3-CH2 3.66Å; W577-W613 HydrophobicContact CZ3-CH2 3.66Å; W577-W613 HydrophobicContact CZ3-CZ3 4.1Å; W577-T632 PolarHBondContact NE1-OG1 2.89Å; W577-M643 HydrophobicContact CZ2-CE 4.19Å; W577-D645 HydrophobicContact CZ2-CB 4.42Å; W577-D645 PolarHBondContact NE1-OD1 3.1Å; W577-D645 PolarHBondContact NE1-OD2 3.29Å; W577-L648 HydrophobicContact CH2-CD1 4.45Å; W577-L648 HydrophobicContact CH2-CD2 3.39Å; W577-L648 HydrophobicContact CZ2-CD2 3.44Å; W577-L648 VanDerWaalsContact CZ2-CD2 3.44Å
578	G	82.1	Confident	93.5	Very high	45 Å²	45	37.3 Å²	37.3	46%	0.464	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.8	-178.8	0	0	0	0	0	114.5	N576 K581	N576-G578 PolarHBondContact O-N 2.99Å; G578-K581 WeakPolarHBondContact O-CE 3.39Å
579	R	83.4	Confident	93.6	Very high	148 Å²	148	39.7 Å²	39.7	56%	0.558	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-42.7	-179	179.8	178.2	173.8	-178.2	-3.5	114.1	W577 D645	W577-R579 HydrophobicContact CD2-CB 4.16Å; W577-R579 HydrophobicContact CG-CB 4.28Å; W577-R579 PolarHBondContact O-N 2.57Å; R579-D645 WeakPolarHBondContact CD-O 3.46Å; R579-D645 PolarHBondContact NH1-O 2.95Å
580	N	87.6	Confident	93.8	Very high	52 Å²	52	37.6 Å²	37.6	28%	0.278	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127	1.8	-173.8	68.9	9.6	0	0	0	113.7	W577 R582 Y584	W577-N580 PolarHBondContact O-N 3.24Å; N580-R582 PolarHBondContact O-N 2.87Å; N580-R582 WeakPolarHBondContact OD1-CB 3.46Å; N580-R582 PolarHBondContact OD1-N 3.3Å; N580-Y584 PolarHBondContact ND2-OH 3.15Å
581	K	88.1	Confident	93.8	Very high	105 Å²	105	32.9 Å²	32.9	46%	0.457	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	30.2	179.5	-53.3	-62.5	-176.9	176	0	113	W577 G578	W577-K581 WeakPolarHBondContact O-CA 3.45Å; W577-K581 PolarHBondContact O-N 3.43Å; G578-K581 WeakPolarHBondContact O-CE 3.39Å
582	R	92.2	Very high	93.8	Very high	42 Å²	42	33.5 Å²	33.5	16%	0.158	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.9	175.8	-61.3	-71.3	-177.3	-113.3	-3.5	109.4	W577 N580 Y584 K593 N595 E597 E602	W577-R582 PolarHBondContact N-O 2.93Å; N580-R582 PolarHBondContact O-N 2.87Å; N580-R582 WeakPolarHBondContact OD1-CB 3.46Å; N580-R582 PolarHBondContact OD1-N 3.3Å; R582-Y584 HydrophobicContact CB-CE2 3.97Å; R582-Y584 WeakPolarHBondContact O-CD2 3.44Å; R582-K593 HydrophobicContact CB-CD 4.41Å; R582-K593 HydrophobicContact CB-CG 4.05Å; R582-K593 VanDerWaalsContact CG-CE 3.41Å; R582-N595 VanDerWaalsContact CZ-CG 3.44Å; R582-N595 PolarHBondContact NH1-ND2 2.8Å; R582-N595 PolarHBondContact NH1-OD1 3.21Å; R582-N595 PolarHBondContact NH2-ND2 2.97Å; R582-N595 VanDerWaalsContact NH2-ND2 3.12Å; R582-E597 IonicContact CZ-OE2 3.6Å; R582-E597 IonicContact NH1-OE2 3.53Å; R582-E597 PolarHBondContact NH1-OE2 3.45Å; R582-E597 IonicContact NH2-OE2 3.59Å; R582-E597 PolarHBondContact NH2-OE2 2.93Å; R582-E602 IonicContact NE-OE1 3.4Å; R582-E602 PolarHBondContact NE-OE1 3.09Å
583	T	95.2	Very high	93.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.9	177.7	-56.5	0	0	0	0	108.5	Y527 F575 N576 I585 K593 Y594 E596	Y527-T583 HydrophobicContact CD1-CG2 4.27Å; Y527-T583 HydrophobicContact CD2-CG2 3.88Å; Y527-T583 HydrophobicContact CE1-CG2 3.89Å; Y527-T583 HydrophobicContact CE2-CG2 3.47Å; Y527-T583 VanDerWaalsContact CE2-CG2 3.47Å; Y527-T583 HydrophobicContact CG-CG2 4.27Å; Y527-T583 VanDerWaalsContact CZ-CG2 3.49Å; F575-T583 CarbonylContact O-C 3.53Å; F575-T583 WeakPolarHBondContact O-CA 3.36Å; N576-T583 PolarHBondContact ND2-OG1 3.47Å; T583-I585 HydrophobicContact CG2-CG1 4.26Å; T583-K593 CarbonylContact O-C 3.57Å; T583-K593 WeakPolarHBondContact O-CA 3.19Å; T583-Y594 PolarHBondContact N-O 3.12Å; T583-Y594 PolarHBondContact O-N 2.88Å; T583-E596 PolarHBondContact OG1-OE1 3Å
584	Y	96.1	Very high	93.6	Very high	13 Å²	13	35 Å²	35	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.4	177.7	-69.1	-98.4	0	0	0	108.7	A574 F575 W577 N580 R582 Y591 W592 K593 W613	A574-Y584 VanDerWaalsContact CA-O 3.26Å; A574-Y584 WeakPolarHBondContact CA-O 3.32Å; F575-Y584 HydrophobicContact CE1-CD2 4.39Å; F575-Y584 HydrophobicContact CE1-CG 4.27Å; F575-Y584 HydrophobicContact CZ-CD2 4.4Å; F575-Y584 PolarHBondContact N-O 2.68Å; F575-Y584 PolarHBondContact O-N 3.49Å; W577-Y584 HydrophobicContact CB-CD2 4.04Å; W577-Y584 HydrophobicContact CB-CE2 3.85Å; W577-Y584 HydrophobicContact CD2-CE2 4.37Å; W577-Y584 HydrophobicContact CE3-CD2 4.48Å; W577-Y584 AromaticContact CE3-CE2 3.59Å; W577-Y584 HydrophobicContact CE3-CE2 3.59Å; W577-Y584 AromaticContact CE3-CZ 3.72Å; W577-Y584 HydrophobicContact CZ3-CE2 4.43Å; N580-Y584 PolarHBondContact ND2-OH 3.15Å; R582-Y584 HydrophobicContact CB-CE2 3.97Å; R582-Y584 WeakPolarHBondContact O-CD2 3.44Å; Y584-Y591 AromaticContact CD1-CD2 3.64Å; Y584-Y591 HydrophobicContact CD1-CD2 3.64Å; Y584-Y591 AromaticContact CD1-CE2 3.6Å; Y584-Y591 HydrophobicContact CD1-CE2 3.6Å; Y584-Y591 HydrophobicContact CE1-CD2 4.25Å; Y584-Y591 AromaticContact CE1-CE2 3.72Å; Y584-Y591 HydrophobicContact CE1-CE2 3.72Å; Y584-W592 WeakPolarHBondContact CA-O 2.92Å; Y584-K593 HydrophobicContact CD1-CB 4.49Å; Y584-K593 HydrophobicContact CD1-CG 4.46Å; Y584-K593 HydrophobicContact CE1-CB 4.37Å; Y584-K593 HydrophobicContact CE1-CD 3.93Å; Y584-K593 HydrophobicContact CE1-CG 4.07Å; Y584-W613 HydrophobicContact CD1-CH2 4.33Å; Y584-W613 AromaticContact CD1-CZ2 3.51Å; Y584-W613 HydrophobicContact CD1-CZ2 3.51Å; Y584-W613 HydrophobicContact CE1-CH2 4.24Å; Y584-W613 AromaticContact CE1-CZ2 3.58Å; Y584-W613 HydrophobicContact CE1-CZ2 3.58Å; Y584-W613 AromaticContact CG-CZ2 4Å; Y584-W613 HydrophobicContact CG-CZ2 4Å
585	I	97.6	Very high	93.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.4	-176.5	-55.7	-176.7	0	0	0	107.2	F538 L562 L564 V571 T583 Y591 W592 M601	F538-I585 HydrophobicContact CE1-CD1 4.48Å; F538-I585 HydrophobicContact CZ-CD1 3.98Å; L562-I585 HydrophobicContact CD2-CD1 3.65Å; L564-I585 HydrophobicContact CD1-CG2 4.33Å; V571-I585 HydrophobicContact CB-CG2 4.21Å; V571-I585 HydrophobicContact CG1-CG2 3.47Å; V571-I585 VanDerWaalsContact CG1-CG2 3.47Å; V571-I585 HydrophobicContact CG2-CG2 3.64Å; T583-I585 HydrophobicContact CG2-CG1 4.26Å; I585-Y591 CarbonylContact O-C 3.57Å; I585-Y591 WeakPolarHBondContact O-CA 3.41Å; I585-Y591 WeakPolarHBondContact O-CB 3.48Å; I585-W592 PolarHBondContact N-O 2.85Å; I585-W592 PolarHBondContact O-N 3.02Å; I585-M601 HydrophobicContact CD1-CE 3.62Å; I585-M601 HydrophobicContact CG1-CE 4.41Å
586	F	97.8	Very high	93.1	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.6	-175	-61.1	-99.4	0	0	0	109.8	D572 A573 F575 Y591 I609 W613 L620 V623 F634	D572-F586 PolarHBondContact N-O 3.46Å; A573-F586 HydrophobicContact CB-CB 4.3Å; A573-F586 HydrophobicContact CB-CD2 4.38Å; A573-F586 PolarHBondContact N-O 3.06Å; A573-F586 PolarHBondContact O-N 3.48Å; F575-F586 AromaticContact CD1-CE2 3.79Å; F575-F586 HydrophobicContact CD1-CE2 3.79Å; F575-F586 AromaticContact CE1-CE2 3.61Å; F575-F586 HydrophobicContact CE1-CE2 3.61Å; F575-F586 AromaticContact CE1-CZ 3.91Å; F575-F586 HydrophobicContact CE1-CZ 3.91Å; F586-Y591 HydrophobicContact CD1-CG 4.43Å; F586-Y591 HydrophobicContact CE1-CG 4.17Å; F586-I609 HydrophobicContact CD1-CD1 3.85Å; F586-I609 HydrophobicContact CD1-CG1 3.92Å; F586-I609 HydrophobicContact CE1-CG1 4.34Å; F586-W613 AromaticContact CE1-NE1 3.72Å; F586-W613 AromaticContact CZ-CE2 3.97Å; F586-W613 HydrophobicContact CZ-CZ2 4.08Å; F586-W613 AromaticContact CZ-NE1 3.94Å; F586-L620 HydrophobicContact CD1-CD1 3.91Å; F586-L620 HydrophobicContact CE1-CD1 4.27Å; F586-L620 HydrophobicContact CG-CD1 4.17Å; F586-V623 HydrophobicContact CD2-CG2 4.4Å; F586-V623 HydrophobicContact CE2-CG2 4.29Å; F586-F634 HydrophobicContact CZ-CE1 4.24Å
587	A	97.2	Very high	92.8	Very high	14 Å²	14	39.8 Å²	39.8	12%	0.116	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	121.2	171.6	0	0	0	0	0	109.4	V568 R570 D572 D589 R590 W592	V568-A587 HydrophobicContact CG1-CB 4.15Å; R570-A587 WeakPolarHBondContact O-CB 3.42Å; D572-A587 WeakPolarHBondContact OD2-CA 3.03Å; A587-D589 PolarHBondContact O-N 2.96Å; A587-R590 PolarHBondContact N-O 2.56Å; A587-R590 PolarHBondContact O-N 2.9Å; A587-R590 VanDerWaalsContact O-N 3.16Å; A587-R590 VanDerWaalsContact O-O 3.12Å; A587-W592 HydrophobicContact CB-CH2 4.45Å; A587-W592 HydrophobicContact CB-CZ3 3.86Å
588	G	95.7	Very high	92.8	Very high	21 Å²	21	46.4 Å²	46.4	22%	0.216	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	-124.1	-175.6	0	0	0	0	0	112.6	D572 I609 N619	D572-G588 PolarHBondContact OD2-N 2.93Å; G588-I609 WeakPolarHBondContact O-CD1 3.21Å; G588-N619 WeakPolarHBondContact CA-OD1 3.26Å; G588-N619 PolarHBondContact O-N 3.11Å
589	D	95.8	Very high	93.2	Very high	69 Å²	69	49.1 Å²	49.1	37%	0.369	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.2	177.3	64.5	-16.6	0	0	0	113.1	A587 F608 I609 D618	A587-D589 PolarHBondContact O-N 2.96Å; D589-F608 HydrophobicContact CB-CD1 4.49Å; D589-F608 WeakPolarHBondContact O-CA 3.47Å; D589-F608 WeakPolarHBondContact OD2-CE1 3.43Å; D589-I609 PolarHBondContact O-N 2.9Å; D589-D618 HydrophobicContact CB-CB 4.38Å
590	R	96.5	Very high	93.6	Very high	100 Å²	100	49.2 Å²	49.2	38%	0.377	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	158.7	-171.6	-73.5	169.4	-169.9	-143.7	0.7	112.7	A587 W592 P606 K607 F608	A587-R590 PolarHBondContact N-O 2.56Å; A587-R590 PolarHBondContact O-N 2.9Å; A587-R590 VanDerWaalsContact O-N 3.16Å; A587-R590 VanDerWaalsContact O-O 3.12Å; R590-W592 HydrophobicContact CB-CH2 3.84Å; R590-W592 HydrophobicContact CB-CZ3 3.82Å; R590-P606 HydrophobicContact CB-CB 4.22Å; R590-P606 HydrophobicContact CG-CB 4.39Å; R590-K607 CarbonylContact C-O 3.58Å; R590-K607 VanDerWaalsContact CA-O 3.28Å; R590-K607 WeakPolarHBondContact CA-O 3.16Å; R590-F608 HydrophobicContact CG-CD1 4.21Å; R590-F608 HydrophobicContact CG-CE1 4.37Å
591	Y	96.6	Very high	93.9	Very high	13 Å²	13	48.4 Å²	48.4	5%	0.051	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.7	169.7	79.3	-87.5	0	0	0	112.7	Y584 I585 F586 P606 K607 F608 I609 S612 W613	Y584-Y591 AromaticContact CD1-CD2 3.64Å; Y584-Y591 HydrophobicContact CD1-CD2 3.64Å; Y584-Y591 AromaticContact CD1-CE2 3.6Å; Y584-Y591 HydrophobicContact CD1-CE2 3.6Å; Y584-Y591 HydrophobicContact CE1-CD2 4.25Å; Y584-Y591 AromaticContact CE1-CE2 3.72Å; Y584-Y591 HydrophobicContact CE1-CE2 3.72Å; I585-Y591 CarbonylContact O-C 3.57Å; I585-Y591 WeakPolarHBondContact O-CA 3.41Å; I585-Y591 WeakPolarHBondContact O-CB 3.48Å; F586-Y591 HydrophobicContact CD1-CG 4.43Å; F586-Y591 HydrophobicContact CE1-CG 4.17Å; Y591-P606 WeakPolarHBondContact O-CA 3.41Å; Y591-K607 HydrophobicContact CD1-CB 4.19Å; Y591-K607 WeakPolarHBondContact CD1-O 3.48Å; Y591-K607 HydrophobicContact CE1-CB 3.54Å; Y591-K607 PolarHBondContact N-O 2.94Å; Y591-K607 PolarHBondContact O-N 3.07Å; Y591-K607 WeakPolarHBondContact OH-CD 3.33Å; Y591-F608 WeakPolarHBondContact CE1-O 3.49Å; Y591-I609 HydrophobicContact CD1-CG1 4.31Å; Y591-S612 WeakPolarHBondContact OH-CB 3.32Å; Y591-S612 PolarHBondContact OH-OG 3.12Å; Y591-W613 AromaticContact CD1-CD1 3.83Å; Y591-W613 AromaticContact CD1-NE1 3.52Å; Y591-W613 AromaticContact CE1-CD1 3.68Å; Y591-W613 AromaticContact CE1-NE1 3.37Å; Y591-W613 AromaticContact CE2-NE1 3.9Å; Y591-W613 AromaticContact CG-NE1 3.85Å; Y591-W613 AromaticContact CZ-NE1 3.56Å
592	W	96.8	Very high	94.1	Very high	14 Å²	14	46 Å²	46	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.6	176.5	-68.8	-105.8	0	0	0	110.3	L564 P565 V568 Y584 I585 A587 R590 M601 P606	L564-W592 HydrophobicContact CD2-CB 4Å; L564-W592 HydrophobicContact CD2-CD2 3.59Å; L564-W592 HydrophobicContact CD2-CE3 4.11Å; L564-W592 HydrophobicContact CD2-CG 3.53Å; P565-W592 HydrophobicContact CG-CZ2 4.04Å; V568-W592 HydrophobicContact CG2-CH2 3.56Å; V568-W592 HydrophobicContact CG2-CZ2 3.62Å; V568-W592 HydrophobicContact CG2-CZ3 4.4Å; Y584-W592 WeakPolarHBondContact CA-O 2.92Å; I585-W592 PolarHBondContact N-O 2.85Å; I585-W592 PolarHBondContact O-N 3.02Å; A587-W592 HydrophobicContact CB-CH2 4.45Å; A587-W592 HydrophobicContact CB-CZ3 3.86Å; R590-W592 HydrophobicContact CB-CH2 3.84Å; R590-W592 HydrophobicContact CB-CZ3 3.82Å; W592-M601 HydrophobicContact CB-CE 3.84Å; W592-M601 HydrophobicContact CB-SD 3.75Å; W592-P606 HydrophobicContact CD2-CB 4.06Å; W592-P606 HydrophobicContact CH2-CB 4.25Å; W592-P606 HydrophobicContact CZ2-CB 3.69Å; W592-P606 HydrophobicContact CZ2-CG 4.04Å
593	K	95.6	Very high	93.7	Very high	43 Å²	43	52.8 Å²	52.8	19%	0.187	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.9	-179.9	-173.3	174.8	170.3	-142.5	0	110	R582 T583 Y584 M601 E602 S605	R582-K593 HydrophobicContact CB-CD 4.41Å; R582-K593 HydrophobicContact CB-CG 4.05Å; R582-K593 VanDerWaalsContact CG-CE 3.41Å; T583-K593 CarbonylContact O-C 3.57Å; T583-K593 WeakPolarHBondContact O-CA 3.19Å; Y584-K593 HydrophobicContact CD1-CB 4.49Å; Y584-K593 HydrophobicContact CD1-CG 4.46Å; Y584-K593 HydrophobicContact CE1-CB 4.37Å; Y584-K593 HydrophobicContact CE1-CD 3.93Å; Y584-K593 HydrophobicContact CE1-CG 4.07Å; K593-M601 VanDerWaalsContact C-SD 3.52Å; K593-E602 HydrophobicContact CB-CB 4.45Å; K593-E602 VanDerWaalsContact CD-OE2 3.24Å; K593-E602 WeakPolarHBondContact CD-OE2 3.48Å; K593-E602 VanDerWaalsContact CE-CD 3.5Å; K593-E602 VanDerWaalsContact CE-OE1 3.26Å; K593-E602 WeakPolarHBondContact CE-OE1 3.49Å; K593-E602 VanDerWaalsContact CE-OE2 3.3Å; K593-E602 WeakPolarHBondContact CE-OE2 3.26Å; K593-E602 HydrophobicContact CG-CG 4.31Å; K593-E602 IonicContact NZ-OE1 2.63Å; K593-E602 PolarHBondContact NZ-OE1 3.42Å; K593-E602 IonicContact NZ-OE2 3.81Å; K593-E602 PolarHBondContact NZ-OE2 2.97Å; K593-E602 WeakPolarHBondContact O-CB 3.36Å; K593-E602 PolarHBondContact O-N 3.14Å; K593-S605 PolarHBondContact N-OG 3.2Å
594	Y	94.6	Very high	93.2	Very high	16 Å²	16	55.8 Å²	55.8	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.8	-178	-171.5	-105.9	0	0	0	111.5	L562 T583 E596 K599 K600 M601	L562-Y594 HydrophobicContact CD1-CD2 4.26Å; L562-Y594 HydrophobicContact CD1-CE1 4.18Å; L562-Y594 HydrophobicContact CD1-CE2 3.7Å; L562-Y594 HydrophobicContact CG-CD2 4.43Å; L562-Y594 HydrophobicContact CG-CE2 4.2Å; L562-Y594 WeakPolarHBondContact O-CE2 3.41Å; T583-Y594 PolarHBondContact N-O 3.12Å; T583-Y594 PolarHBondContact O-N 2.88Å; Y594-E596 HydrophobicContact CD1-CG 4.44Å; Y594-E596 WeakPolarHBondContact CD1-OE1 3.41Å; Y594-K599 WeakPolarHBondContact OH-CA 3.25Å; Y594-K599 PolarHBondContact OH-O 3.27Å; Y594-K600 VanDerWaalsContact CD2-C 3.48Å; Y594-M601 HydrophobicContact CD2-CE 3.75Å; Y594-M601 HydrophobicContact CD2-CG 4.13Å; Y594-M601 HydrophobicContact CD2-SD 4.03Å; Y594-M601 HydrophobicContact CG-CE 4.07Å; Y594-M601 HydrophobicContact CG-SD 4.49Å
595	N	92.4	Very high	92.7	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.7	175.7	-175.7	-32.4	0	0	0	109.4	R582 E597 K598 K599 K600	R582-N595 VanDerWaalsContact CZ-CG 3.44Å; R582-N595 PolarHBondContact NH1-ND2 2.8Å; R582-N595 PolarHBondContact NH1-OD1 3.21Å; R582-N595 PolarHBondContact NH2-ND2 2.97Å; R582-N595 VanDerWaalsContact NH2-ND2 3.12Å; N595-E597 VanDerWaalsContact C-N 3.34Å; N595-E597 PolarHBondContact O-N 2.78Å; N595-E597 WeakPolarHBondContact OD1-CB 3.4Å; N595-E597 PolarHBondContact OD1-N 3.05Å; N595-K598 HydrophobicContact CB-CB 4.27Å; N595-K598 PolarHBondContact O-N 3.5Å; N595-K598 PolarHBondContact OD1-N 3.14Å; N595-K599 WeakPolarHBondContact O-CA 3.46Å; N595-K599 PolarHBondContact O-N 2.94Å; N595-K600 WeakPolarHBondContact CB-O 3.13Å; N595-K600 PolarHBondContact N-O 3.27Å; N595-K600 PolarHBondContact O-N 2.83Å
596	E	89.8	Confident	92.5	Very high	7 Å²	7	59 Å²	59	3%	0.033	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-39.2	178.6	-68.9	-58.9	156.8	0	0	113.3	Y527 T583 Y594 K598 K599	Y527-E596 PolarHBondContact OH-OE1 3.01Å; Y527-E596 VanDerWaalsContact OH-OE1 3.11Å; T583-E596 PolarHBondContact OG1-OE1 3Å; Y594-E596 HydrophobicContact CD1-CG 4.44Å; Y594-E596 WeakPolarHBondContact CD1-OE1 3.41Å; E596-K598 VanDerWaalsContact C-N 3.35Å; E596-K598 PolarHBondContact O-N 3Å; E596-K599 WeakPolarHBondContact O-CD 3.5Å; E596-K599 WeakPolarHBondContact O-CE 3.28Å; E596-K599 WeakPolarHBondContact O-CG 3.29Å; E596-K599 PolarHBondContact O-N 3Å; E596-K599 IonicContact OE2-NZ 3.31Å; E596-K599 PolarHBondContact OE2-NZ 3.26Å; E596-K599 VanDerWaalsContact OE2-NZ 3.08Å
597	E	87.9	Confident	92.4	Very high	112 Å²	112	63.3 Å²	63.3	52%	0.523	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-40.1	-178.1	-63	162.8	152.3	0	0	111.6	Q531 R582 N595	Q531-E597 PolarHBondContact NE2-OE1 3.12Å; R582-E597 IonicContact CZ-OE2 3.6Å; R582-E597 IonicContact NH1-OE2 3.53Å; R582-E597 PolarHBondContact NH1-OE2 3.45Å; R582-E597 IonicContact NH2-OE2 3.59Å; R582-E597 PolarHBondContact NH2-OE2 2.93Å; N595-E597 VanDerWaalsContact C-N 3.34Å; N595-E597 PolarHBondContact O-N 2.78Å; N595-E597 WeakPolarHBondContact OD1-CB 3.4Å; N595-E597 PolarHBondContact OD1-N 3.05Å
598	K	90.2	Very high	92.3	Very high	152 Å²	152	66.7 Å²	66.7	66%	0.661	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.8	-178.9	-63.8	-174.3	179.9	-179.5	0	112.8	N595 E596 K600	N595-K598 HydrophobicContact CB-CB 4.27Å; N595-K598 PolarHBondContact O-N 3.5Å; N595-K598 PolarHBondContact OD1-N 3.14Å; E596-K598 VanDerWaalsContact C-N 3.35Å; E596-K598 PolarHBondContact O-N 3Å; K598-K600 WeakPolarHBondContact O-CG 3.47Å; K598-K600 PolarHBondContact O-N 3.16Å
599	K	89.3	Confident	92.3	Very high	101 Å²	101	65.7 Å²	65.7	44%	0.439	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	47.7	-171.3	-59.2	-68.3	175.3	-172.5	0	112.4	D532 Y594 N595 E596	D532-K599 IonicContact OD2-NZ 2.99Å; D532-K599 PolarHBondContact OD2-NZ 2.8Å; Y594-K599 WeakPolarHBondContact OH-CA 3.25Å; Y594-K599 PolarHBondContact OH-O 3.27Å; N595-K599 WeakPolarHBondContact O-CA 3.46Å; N595-K599 PolarHBondContact O-N 2.94Å; E596-K599 WeakPolarHBondContact O-CD 3.5Å; E596-K599 WeakPolarHBondContact O-CE 3.28Å; E596-K599 WeakPolarHBondContact O-CG 3.29Å; E596-K599 PolarHBondContact O-N 3Å; E596-K599 IonicContact OE2-NZ 3.31Å; E596-K599 PolarHBondContact OE2-NZ 3.26Å; E596-K599 VanDerWaalsContact OE2-NZ 3.08Å
600	K	92.3	Very high	92.1	Very high	150 Å²	150	65.8 Å²	65.8	65%	0.652	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.1	-176.4	-75.9	-173.9	-178.4	-174.5	0	112.5	Y594 N595 K598	Y594-K600 VanDerWaalsContact CD2-C 3.48Å; N595-K600 WeakPolarHBondContact CB-O 3.13Å; N595-K600 PolarHBondContact N-O 3.27Å; N595-K600 PolarHBondContact O-N 2.83Å; K598-K600 WeakPolarHBondContact O-CG 3.47Å; K598-K600 PolarHBondContact O-N 3.16Å
601	M	93.3	Very high	91.8	Very high	35 Å²	35	66.9 Å²	66.9	17%	0.172	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142	167.6	-83.1	-61.5	165.6	0	0	112.3	L564 I585 W592 K593 Y594	L564-M601 HydrophobicContact CD2-CE 4.24Å; L564-M601 HydrophobicContact CG-CE 4.47Å; I585-M601 HydrophobicContact CD1-CE 3.62Å; I585-M601 HydrophobicContact CG1-CE 4.41Å; W592-M601 HydrophobicContact CB-CE 3.84Å; W592-M601 HydrophobicContact CB-SD 3.75Å; K593-M601 VanDerWaalsContact C-SD 3.52Å; Y594-M601 HydrophobicContact CD2-CE 3.75Å; Y594-M601 HydrophobicContact CD2-CG 4.13Å; Y594-M601 HydrophobicContact CD2-SD 4.03Å; Y594-M601 HydrophobicContact CG-CE 4.07Å; Y594-M601 HydrophobicContact CG-SD 4.49Å
602	E	92.3	Very high	91.5	Very high	56 Å²	56	68.2 Å²	68.2	26%	0.262	35%	0.353	S	S	.	.			trans	-73.7	138.9	172.9	-68.9	-165.7	-178.5	0	0	110.8	R582 K593 A604 S605	R582-E602 IonicContact NE-OE1 3.4Å; R582-E602 PolarHBondContact NE-OE1 3.09Å; K593-E602 HydrophobicContact CB-CB 4.45Å; K593-E602 VanDerWaalsContact CD-OE2 3.24Å; K593-E602 WeakPolarHBondContact CD-OE2 3.48Å; K593-E602 VanDerWaalsContact CE-CD 3.5Å; K593-E602 VanDerWaalsContact CE-OE1 3.26Å; K593-E602 WeakPolarHBondContact CE-OE1 3.49Å; K593-E602 VanDerWaalsContact CE-OE2 3.3Å; K593-E602 WeakPolarHBondContact CE-OE2 3.26Å; K593-E602 HydrophobicContact CG-CG 4.31Å; K593-E602 IonicContact NZ-OE1 2.63Å; K593-E602 PolarHBondContact NZ-OE1 3.42Å; K593-E602 IonicContact NZ-OE2 3.81Å; K593-E602 PolarHBondContact NZ-OE2 2.97Å; K593-E602 WeakPolarHBondContact O-CB 3.36Å; K593-E602 PolarHBondContact O-N 3.14Å; E602-A604 PolarHBondContact O-N 3.33Å; E602-S605 PolarHBondContact O-N 3.46Å
603	L	85.6	Confident	91.2	Very high	184 Å²	184	67.8 Å²	67.8	96%	0.963	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.3	-175.1	-83.6	95.4	0	0	0	114.4	S605	L603-S605 PolarHBondContact O-N 3.42Å
604	A	83.4	Confident	90.9	Very high	63 Å²	63	72 Å²	72	52%	0.521	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	17.5	-177.2	0	0	0	0	0	113.5	E602 K607	E602-A604 PolarHBondContact O-N 3.33Å; A604-K607 WeakPolarHBondContact O-CE 3.4Å; A604-K607 VanDerWaalsContact O-CG 3.3Å; A604-K607 WeakPolarHBondContact O-CG 3.46Å
605	S	87.1	Confident	90.6	Very high	28 Å²	28	73.6 Å²	73.6	20%	0.196	40%	0.397	C	S	.	.			trans	-110.3	150.7	177.3	-71.2	0	0	0	0	111.7	K593 E602 L603	K593-S605 PolarHBondContact N-OG 3.2Å; E602-S605 PolarHBondContact O-N 3.46Å; L603-S605 PolarHBondContact O-N 3.42Å
606	P	93.4	Very high	90.6	Very high	53 Å²	53	73.7 Å²	73.7	34%	0.344	40%	0.398	S	S	.	.			cis	-75.3	161.6	-0.3	28.3	-32.1	0	0	0	113.9	R590 Y591 W592	R590-P606 HydrophobicContact CB-CB 4.22Å; R590-P606 HydrophobicContact CG-CB 4.39Å; Y591-P606 WeakPolarHBondContact O-CA 3.41Å; W592-P606 HydrophobicContact CD2-CB 4.06Å; W592-P606 HydrophobicContact CH2-CB 4.25Å; W592-P606 HydrophobicContact CZ2-CB 3.69Å; W592-P606 HydrophobicContact CZ2-CG 4.04Å
607	K	94.6	Very high	90.8	Very high	91 Å²	91	75.6 Å²	75.6	40%	0.396	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	155.3	167.9	-67.2	-177.6	174.9	-169.1	0	109.7	R590 Y591 A604	R590-K607 CarbonylContact C-O 3.58Å; R590-K607 VanDerWaalsContact CA-O 3.28Å; R590-K607 WeakPolarHBondContact CA-O 3.16Å; Y591-K607 HydrophobicContact CD1-CB 4.19Å; Y591-K607 WeakPolarHBondContact CD1-O 3.48Å; Y591-K607 HydrophobicContact CE1-CB 3.54Å; Y591-K607 PolarHBondContact N-O 2.94Å; Y591-K607 PolarHBondContact O-N 3.07Å; Y591-K607 WeakPolarHBondContact OH-CD 3.33Å; A604-K607 WeakPolarHBondContact O-CE 3.4Å; A604-K607 VanDerWaalsContact O-CG 3.3Å; A604-K607 WeakPolarHBondContact O-CG 3.46Å
608	F	95.6	Very high	91.2	Very high	85 Å²	85	73.5 Å²	73.5	37%	0.373	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144	172	-67.9	-77.3	0	0	0	110.7	D589 R590 Y591 A610 D611	D589-F608 HydrophobicContact CB-CD1 4.49Å; D589-F608 WeakPolarHBondContact O-CA 3.47Å; D589-F608 WeakPolarHBondContact OD2-CE1 3.43Å; R590-F608 HydrophobicContact CG-CD1 4.21Å; R590-F608 HydrophobicContact CG-CE1 4.37Å; Y591-F608 WeakPolarHBondContact CE1-O 3.49Å; F608-A610 VanDerWaalsContact C-N 3.32Å; F608-D611 HydrophobicContact CB-CB 4.39Å; F608-D611 PolarHBondContact O-N 2.92Å
609	I	94.7	Very high	91.4	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-60.2	-48	176.9	-65.2	171.5	0	0	0	109.4	F586 G588 D589 Y591 D611 S612 W613 V616	F586-I609 HydrophobicContact CD1-CD1 3.85Å; F586-I609 HydrophobicContact CD1-CG1 3.92Å; F586-I609 HydrophobicContact CE1-CG1 4.34Å; G588-I609 WeakPolarHBondContact O-CD1 3.21Å; D589-I609 PolarHBondContact O-N 2.9Å; Y591-I609 HydrophobicContact CD1-CG1 4.31Å; I609-D611 PolarHBondContact O-N 3.19Å; I609-D611 VanDerWaalsContact O-N 3.12Å; I609-S612 PolarHBondContact O-N 3.12Å; I609-S612 VanDerWaalsContact O-N 3.12Å; I609-W613 HydrophobicContact CG2-CB 4.09Å; I609-W613 WeakPolarHBondContact O-CB 3.41Å; I609-W613 PolarHBondContact O-N 2.98Å; I609-V616 HydrophobicContact CG2-CB 4.15Å; I609-V616 HydrophobicContact CG2-CG1 3.99Å
610	A	92.6	Very high	91.7	Very high	70 Å²	70	65.7 Å²	65.7	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-56.1	-29.6	179.6	0	0	0	0	0	114.5	F608	F608-A610 VanDerWaalsContact C-N 3.32Å
611	D	90.8	Very high	91.9	Very high	123 Å²	123	60.2 Å²	60.2	66%	0.658	35%	0.351	S	S	*	.	H	α-helix	trans	-74.1	-27.6	-178.4	-71.4	-17.7	0	0	0	113	F608 I609	F608-D611 HydrophobicContact CB-CB 4.39Å; F608-D611 PolarHBondContact O-N 2.92Å; I609-D611 PolarHBondContact O-N 3.19Å; I609-D611 VanDerWaalsContact O-N 3.12Å
612	S	89.1	Confident	92	Very high	41 Å²	41	58.7 Å²	58.7	29%	0.287	35%	0.345	S	S	.	.	H	α-helix	trans	-123.4	-20.5	-169.6	-59.1	0	0	0	0	114.3	Y591 I609	Y591-S612 WeakPolarHBondContact OH-CB 3.32Å; Y591-S612 PolarHBondContact OH-OG 3.12Å; I609-S612 PolarHBondContact O-N 3.12Å; I609-S612 VanDerWaalsContact O-N 3.12Å
613	W	90.6	Very high	92.3	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.019	33%	0.333	C	S	.	.	S	Bend	trans	-125.5	76.8	-175.5	-53.3	99.6	0	0	0	109.7	F575 W577 Y584 F586 Y591 I609 G615 V616 F634 M643	F575-W613 HydrophobicContact CE1-CH2 4.38Å; F575-W613 AromaticContact CZ-CH2 3.93Å; F575-W613 HydrophobicContact CZ-CH2 3.93Å; F575-W613 HydrophobicContact CZ-CZ3 4.45Å; W577-W613 HydrophobicContact CD2-CH2 4.33Å; W577-W613 AromaticContact CE3-CH2 3.88Å; W577-W613 HydrophobicContact CE3-CH2 3.88Å; W577-W613 AromaticContact CH2-CH2 3.94Å; W577-W613 HydrophobicContact CH2-CH2 3.94Å; W577-W613 AromaticContact CH2-CZ3 3.88Å; W577-W613 HydrophobicContact CH2-CZ3 3.88Å; W577-W613 HydrophobicContact CZ2-CH2 4.42Å; W577-W613 HydrophobicContact CZ2-CZ3 4.17Å; W577-W613 AromaticContact CZ3-CH2 3.66Å; W577-W613 HydrophobicContact CZ3-CH2 3.66Å; W577-W613 HydrophobicContact CZ3-CZ3 4.1Å; Y584-W613 HydrophobicContact CD1-CH2 4.33Å; Y584-W613 AromaticContact CD1-CZ2 3.51Å; Y584-W613 HydrophobicContact CD1-CZ2 3.51Å; Y584-W613 HydrophobicContact CE1-CH2 4.24Å; Y584-W613 AromaticContact CE1-CZ2 3.58Å; Y584-W613 HydrophobicContact CE1-CZ2 3.58Å; Y584-W613 AromaticContact CG-CZ2 4Å; Y584-W613 HydrophobicContact CG-CZ2 4Å; F586-W613 AromaticContact CE1-NE1 3.72Å; F586-W613 AromaticContact CZ-CE2 3.97Å; F586-W613 HydrophobicContact CZ-CZ2 4.08Å; F586-W613 AromaticContact CZ-NE1 3.94Å; Y591-W613 AromaticContact CD1-CD1 3.83Å; Y591-W613 AromaticContact CD1-NE1 3.52Å; Y591-W613 AromaticContact CE1-CD1 3.68Å; Y591-W613 AromaticContact CE1-NE1 3.37Å; Y591-W613 AromaticContact CE2-NE1 3.9Å; Y591-W613 AromaticContact CG-NE1 3.85Å; Y591-W613 AromaticContact CZ-NE1 3.56Å; I609-W613 HydrophobicContact CG2-CB 4.09Å; I609-W613 WeakPolarHBondContact O-CB 3.41Å; I609-W613 PolarHBondContact O-N 2.98Å; W613-G615 PolarHBondContact O-N 2.84Å; W613-V616 HydrophobicContact CB-CB 3.81Å; W613-V616 HydrophobicContact CB-CG1 4.46Å; W613-V616 HydrophobicContact CB-CG2 3.77Å; W613-V616 WeakPolarHBondContact O-CB 3.39Å; W613-V616 PolarHBondContact O-N 3.45Å; W613-V616 VanDerWaalsContact O-N 3.12Å; W613-F634 HydrophobicContact CD2-CZ 4.36Å; W613-F634 HydrophobicContact CE3-CE1 4.44Å; W613-F634 AromaticContact CE3-CZ 3.72Å; W613-F634 HydrophobicContact CE3-CZ 3.72Å; W613-F634 AromaticContact CZ3-CZ 3.94Å; W613-F634 HydrophobicContact CZ3-CZ 3.94Å; W613-M643 HydrophobicContact CE3-CE 3.79Å; W613-M643 HydrophobicContact CE3-SD 3.96Å; W613-M643 HydrophobicContact CZ3-CE 3.49Å; W613-M643 VanDerWaalsContact CZ3-CE 3.49Å; W613-M643 HydrophobicContact CZ3-SD 4.28Å
614	N	88.8	Confident	92.7	Very high	131 Å²	131	47.5 Å²	47.5	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	126	-174	-171.1	14.5	0	0	0	111.8	V616	N614-V616 VanDerWaalsContact C-N 3.31Å
615	G	87.9	Confident	93	Very high	50 Å²	50	45.6 Å²	45.6	52%	0.515	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-0.4	-179	0	0	0	0	0	115	W613 L641	W613-G615 PolarHBondContact O-N 2.84Å; G615-L641 VanDerWaalsContact O-CD2 3.26Å; G615-L641 WeakPolarHBondContact O-CD2 3.43Å
616	V	93.9	Very high	92.8	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-85.9	128.7	173.5	178.9	0	0	0	0	109.1	I609 W613 N614 L620 F634 I650	I609-V616 HydrophobicContact CG2-CB 4.15Å; I609-V616 HydrophobicContact CG2-CG1 3.99Å; W613-V616 HydrophobicContact CB-CB 3.81Å; W613-V616 HydrophobicContact CB-CG1 4.46Å; W613-V616 HydrophobicContact CB-CG2 3.77Å; W613-V616 WeakPolarHBondContact O-CB 3.39Å; W613-V616 PolarHBondContact O-N 3.45Å; W613-V616 VanDerWaalsContact O-N 3.12Å; N614-V616 VanDerWaalsContact C-N 3.31Å; V616-L620 HydrophobicContact CG1-CD1 3.78Å; V616-L620 HydrophobicContact CG1-CD2 3.8Å; V616-L620 HydrophobicContact CG1-CG 4.23Å; V616-F634 HydrophobicContact CG1-CB 4.39Å; V616-F634 HydrophobicContact CG1-CD1 3.55Å; V616-F634 HydrophobicContact CG1-CE1 3.97Å; V616-F634 HydrophobicContact CG1-CG 3.99Å; V616-F634 HydrophobicContact CG2-CD1 4.16Å; V616-F634 HydrophobicContact CG2-CD2 4.02Å; V616-F634 HydrophobicContact CG2-CE1 4.22Å; V616-F634 HydrophobicContact CG2-CE2 4.08Å; V616-F634 HydrophobicContact CG2-CG 4.07Å; V616-F634 HydrophobicContact CG2-CZ 4.18Å; V616-I650 HydrophobicContact CG2-CD1 4.25Å
617	P	94.5	Very high	91.9	Very high	47 Å²	47	47 Å²	47	31%	0.305	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-74.1	160	178.7	30.4	-34.2	0	0	0	112.2	L620 K636 L641	P617-L620 HydrophobicContact CG-CD2 3.86Å; P617-L620 WeakPolarHBondContact O-CD2 3.43Å; P617-L620 WeakPolarHBondContact O-CG 3.28Å; P617-K636 HydrophobicContact CG-CB 4.09Å; P617-K636 HydrophobicContact CG-CG 4.16Å; P617-L641 HydrophobicContact CG-CD1 4.36Å
618	D	95.5	Very high	90.9	Very high	69 Å²	69	51 Å²	51	37%	0.369	31%	0.309	S	S	.	.	S	Bend	trans	-73.9	165.1	169.5	-57.6	-32	0	0	0	111.1	D589 L620	D589-D618 HydrophobicContact CB-CB 4.38Å; D618-L620 PolarHBondContact O-N 2.84Å
619	N	94	Very high	90.1	Very high	88 Å²	88	48.8 Å²	48.8	47%	0.471	30%	0.304	S	S	.	.	S	Bend	trans	52.8	51.2	179.1	-47.7	-79.5	0	0	0	112.4	G588 K636	G588-N619 WeakPolarHBondContact CA-OD1 3.26Å; G588-N619 PolarHBondContact O-N 3.11Å; N619-K636 VanDerWaalsContact O-CD 3.32Å; N619-K636 WeakPolarHBondContact O-CD 3.25Å; N619-K636 WeakPolarHBondContact O-CE 3.46Å; N619-K636 PolarHBondContact O-NZ 2.71Å
620	L	95.4	Very high	89.7	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	32%	0.321	C	S	.	.			trans	-61.5	148.9	178.1	-65.9	165.7	0	0	0	111.6	D572 A573 F586 V616 P617 D618 V623 F634	D572-L620 CarbonylContact C-O 3.42Å; D572-L620 WeakPolarHBondContact CB-O 3.39Å; A573-L620 HydrophobicContact CB-CB 4.15Å; F586-L620 HydrophobicContact CD1-CD1 3.91Å; F586-L620 HydrophobicContact CE1-CD1 4.27Å; F586-L620 HydrophobicContact CG-CD1 4.17Å; V616-L620 HydrophobicContact CG1-CD1 3.78Å; V616-L620 HydrophobicContact CG1-CD2 3.8Å; V616-L620 HydrophobicContact CG1-CG 4.23Å; P617-L620 HydrophobicContact CG-CD2 3.86Å; P617-L620 WeakPolarHBondContact O-CD2 3.43Å; P617-L620 WeakPolarHBondContact O-CG 3.28Å; D618-L620 PolarHBondContact O-N 2.84Å; L620-V623 HydrophobicContact CD1-CG2 3.94Å; L620-F634 HydrophobicContact CD1-CD1 3.73Å; L620-F634 HydrophobicContact CD1-CE1 4.32Å; L620-F634 HydrophobicContact CD2-CB 4.17Å; L620-F634 HydrophobicContact CD2-CD1 4.38Å
621	D	96.1	Very high	89.7	Confident	34 Å²	34	50.8 Å²	50.8	18%	0.182	31%	0.308	C	S	.	.	S	Bend	trans	-93.1	-28.8	178.2	-50.2	-43.3	0	0	0	112	V477 F635 K636 D637	V477-D621 HydrophobicContact CG1-CB 4.1Å; D621-F635 PolarHBondContact N-O 2.62Å; D621-K636 IonicContact OD1-NZ 2.8Å; D621-K636 PolarHBondContact OD1-NZ 3.44Å; D621-K636 VanDerWaalsContact OD2-CA 3.28Å; D621-K636 WeakPolarHBondContact OD2-CA 3.41Å; D621-K636 IonicContact OD2-NZ 3.65Å; D621-D637 PolarHBondContact OD2-N 3.12Å
622	A	97.2	Very high	89.8	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.033	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	162.7	171.9	0	0	0	0	0	112	V481 F635	V481-A622 HydrophobicContact CB-CB 3.81Å; V481-A622 HydrophobicContact CG2-CB 3.84Å; A622-F635 HydrophobicContact CB-CB 4.06Å; A622-F635 HydrophobicContact CB-CD2 4.16Å; A622-F635 HydrophobicContact CB-CG 4.32Å; A622-F635 PolarHBondContact O-N 3.27Å
623	V	96.8	Very high	90.1	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.6	168.7	-174.4	0	0	0	0	109.7	A573 F575 F586 L620 T632 Y633 F634	A573-V623 HydrophobicContact CB-CG2 3.85Å; F575-V623 HydrophobicContact CB-CB 4.15Å; F575-V623 HydrophobicContact CB-CG1 4.1Å; F575-V623 WeakPolarHBondContact CB-O 3.2Å; F575-V623 HydrophobicContact CD1-CB 3.74Å; F575-V623 HydrophobicContact CD1-CG1 3.35Å; F575-V623 HydrophobicContact CD1-CG2 4.39Å; F575-V623 HydrophobicContact CD2-CG1 4.03Å; F575-V623 HydrophobicContact CE1-CB 4.38Å; F575-V623 HydrophobicContact CE1-CG1 3.64Å; F575-V623 HydrophobicContact CE2-CG1 4.27Å; F575-V623 HydrophobicContact CG-CB 4.06Å; F575-V623 HydrophobicContact CG-CG1 3.56Å; F575-V623 HydrophobicContact CZ-CG1 4.09Å; F586-V623 HydrophobicContact CD2-CG2 4.4Å; F586-V623 HydrophobicContact CE2-CG2 4.29Å; L620-V623 HydrophobicContact CD1-CG2 3.94Å; V623-T632 HydrophobicContact CG1-CG2 3.57Å; V623-Y633 CarbonylContact C-O 3.53Å; V623-Y633 WeakPolarHBondContact CA-O 3.29Å; V623-F634 HydrophobicContact CB-CD1 4.44Å; V623-F634 HydrophobicContact CG1-CD1 3.99Å; V623-F634 HydrophobicContact CG1-CE1 3.91Å; V623-F634 HydrophobicContact CG1-CG 4.46Å; V623-F634 HydrophobicContact CG1-CZ 4.32Å; V623-F634 HydrophobicContact CG2-CD1 3.55Å; V623-F634 HydrophobicContact CG2-CE1 3.89Å; V623-F634 HydrophobicContact CG2-CG 4.42Å
624	L	94.4	Very high	90.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.2	178.1	-178.5	63.5	0	0	0	110.1	V481 Q483 I488 L626 Y633 F635 W660	V481-L624 HydrophobicContact CG1-CB 4.39Å; V481-L624 HydrophobicContact CG1-CD2 4.12Å; Q483-L624 HydrophobicContact CB-CD1 4.03Å; Q483-L624 VanDerWaalsContact N-CD1 3.28Å; I488-L624 HydrophobicContact CG2-CD2 4.1Å; L624-L626 HydrophobicContact CD1-CD2 4.2Å; L624-L626 HydrophobicContact CD2-CD2 3.91Å; L624-L626 HydrophobicContact CD2-CG 4.18Å; L624-L626 HydrophobicContact CG-CD2 4.01Å; L624-L626 HydrophobicContact CG-CG 4.2Å; L624-Y633 PolarHBondContact N-O 3.35Å; L624-Y633 PolarHBondContact O-N 2.92Å; L624-F635 HydrophobicContact CB-CE2 3.64Å; L624-F635 HydrophobicContact CB-CZ 4.33Å; L624-F635 HydrophobicContact CD2-CE2 4.5Å; L624-F635 HydrophobicContact CD2-CZ 4.4Å; L624-W660 HydrophobicContact CD2-CH2 3.49Å; L624-W660 VanDerWaalsContact CD2-CH2 3.49Å; L624-W660 HydrophobicContact CD2-CZ2 4.32Å; L624-W660 HydrophobicContact CD2-CZ3 3.6Å
625	G	89.3	Confident	90.8	Very high	24 Å²	24	37.9 Å²	37.9	25%	0.247	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.8	163.8	0	0	0	0	0	109.6
626	L	83.8	Confident	91.2	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.147	22%	0.219	C	C	.	.			trans	-85.5	123.8	173.5	-72.1	-176.7	0	0	0	110.1	I488 L624 D628 S629 Y633 W660	I488-L626 HydrophobicContact CD1-CD2 3.9Å; I488-L626 HydrophobicContact CG1-CD2 3.93Å; L624-L626 HydrophobicContact CD1-CD2 4.2Å; L624-L626 HydrophobicContact CD2-CD2 3.91Å; L624-L626 HydrophobicContact CD2-CG 4.18Å; L624-L626 HydrophobicContact CG-CD2 4.01Å; L624-L626 HydrophobicContact CG-CG 4.2Å; L626-D628 PolarHBondContact O-N 3.29Å; L626-S629 WeakPolarHBondContact CB-OG 3.32Å; L626-S629 PolarHBondContact O-N 3Å; L626-S629 PolarHBondContact O-OG 2.7Å; L626-Y633 HydrophobicContact CB-CE2 4.44Å; L626-Y633 HydrophobicContact CD1-CD2 4.5Å; L626-Y633 HydrophobicContact CD1-CE2 3.78Å; L626-Y633 HydrophobicContact CG-CD2 4.42Å; L626-Y633 HydrophobicContact CG-CE2 4.05Å; L626-W660 HydrophobicContact CD1-CH2 3.92Å; L626-W660 HydrophobicContact CD1-CZ3 4.4Å; L626-W660 HydrophobicContact CG-CH2 4.5Å
627	S	75.4	Confident	91.2	Very high	81 Å²	81	41.2 Å²	41.2	57%	0.566	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	132.2	174.6	-60.7	0	0	0	0	110.4	Q483 S629	Q483-S627 PolarHBondContact OE1-OG 3.18Å; Q483-S627 VanDerWaalsContact OE1-OG 3.04Å; S627-S629 PolarHBondContact O-N 2.89Å
628	D	71.9	Confident	91.1	Very high	176 Å²	176	40.5 Å²	40.5	94%	0.941	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	8.1	175.8	-52.7	-39.3	0	0	0	117.4	L626	L626-D628 PolarHBondContact O-N 3.29Å
629	S	79.4	Confident	91.1	Very high	38 Å²	38	42.6 Å²	42.6	27%	0.266	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-29.4	176.7	70.7	0	0	0	0	113.7	L626 S627 Y631	L626-S629 WeakPolarHBondContact CB-OG 3.32Å; L626-S629 PolarHBondContact O-N 3Å; L626-S629 PolarHBondContact O-OG 2.7Å; S627-S629 PolarHBondContact O-N 2.89Å; S629-Y631 WeakPolarHBondContact O-CD2 3.16Å; S629-Y631 WeakPolarHBondContact O-CE2 3.03Å; S629-Y631 PolarHBondContact O-N 2.84Å; S629-Y631 PolarHBondContact OG-N 2.9Å; S629-Y631 PolarHBondContact OG-O 2.79Å; S629-Y631 VanDerWaalsContact OG-O 3.11Å
630	G	87.4	Confident	91.2	Very high	36 Å²	36	38.7 Å²	38.7	37%	0.371	21%	0.213	S	C	.	.	S	Bend	trans	72.1	11	-168.6	0	0	0	0	0	114.4	D645	G630-D645 WeakPolarHBondContact O-CB 3.35Å; G630-D645 PolarHBondContact O-N 3.33Å
631	Y	91.5	Very high	91.2	Very high	76 Å²	76	39.6 Å²	39.6	30%	0.298	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.9	179	-61.1	-77.6	0	0	0	111.7	S629 Q642 M643 E644 V651	S629-Y631 WeakPolarHBondContact O-CD2 3.16Å; S629-Y631 WeakPolarHBondContact O-CE2 3.03Å; S629-Y631 PolarHBondContact O-N 2.84Å; S629-Y631 PolarHBondContact OG-N 2.9Å; S629-Y631 PolarHBondContact OG-O 2.79Å; S629-Y631 VanDerWaalsContact OG-O 3.11Å; Y631-Q642 HydrophobicContact CD1-CG 3.82Å; Y631-Q642 HydrophobicContact CG-CG 4.14Å; Y631-Q642 VanDerWaalsContact CG-NE2 3.29Å; Y631-M643 CarbonylContact C-O 3.45Å; Y631-M643 VanDerWaalsContact CA-O 3.25Å; Y631-M643 WeakPolarHBondContact CA-O 3.44Å; Y631-E644 HydrophobicContact CD1-CB 4.16Å; Y631-E644 HydrophobicContact CE1-CB 3.95Å; Y631-E644 HydrophobicContact CE1-CG 4.11Å; Y631-V651 HydrophobicContact CD1-CG2 4.25Å; Y631-V651 HydrophobicContact CE1-CG2 4Å
632	T	94	Very high	91.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.4	169.5	-59.6	0	0	0	0	108.8	F575 W577 V623 F634 M643 D645	F575-T632 HydrophobicContact CD2-CG2 4.17Å; F575-T632 HydrophobicContact CE2-CG2 3.56Å; F575-T632 HydrophobicContact CZ-CG2 3.79Å; W577-T632 PolarHBondContact NE1-OG1 2.89Å; V623-T632 HydrophobicContact CG1-CG2 3.57Å; T632-F634 HydrophobicContact CG2-CD2 4.26Å; T632-F634 HydrophobicContact CG2-CE2 3.62Å; T632-F634 HydrophobicContact CG2-CZ 3.81Å; T632-M643 PolarHBondContact N-O 3.05Å; T632-M643 PolarHBondContact O-N 3.34Å; T632-D645 PolarHBondContact N-OD1 3.03Å; T632-D645 PolarHBondContact OG1-OD1 2.62Å
633	Y	95.2	Very high	91	Very high	25 Å²	25	39.1 Å²	39.1	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.3	-176.8	-55.8	-94.6	0	0	0	109.9	V623 L624 L626 Y640 L641 Q642 W660	V623-Y633 CarbonylContact C-O 3.53Å; V623-Y633 WeakPolarHBondContact CA-O 3.29Å; L624-Y633 PolarHBondContact N-O 3.35Å; L624-Y633 PolarHBondContact O-N 2.92Å; L626-Y633 HydrophobicContact CB-CE2 4.44Å; L626-Y633 HydrophobicContact CD1-CD2 4.5Å; L626-Y633 HydrophobicContact CD1-CE2 3.78Å; L626-Y633 HydrophobicContact CG-CD2 4.42Å; L626-Y633 HydrophobicContact CG-CE2 4.05Å; Y633-Y640 AromaticContact CD1-CD2 3.71Å; Y633-Y640 HydrophobicContact CD1-CD2 3.71Å; Y633-Y640 AromaticContact CD1-CE2 3.73Å; Y633-Y640 HydrophobicContact CD1-CE2 3.73Å; Y633-Y640 HydrophobicContact CE1-CE2 4.1Å; Y633-L641 WeakPolarHBondContact CA-O 3.26Å; Y633-Q642 HydrophobicContact CD1-CB 3.96Å; Y633-Q642 HydrophobicContact CD1-CG 3.93Å; Y633-Q642 HydrophobicContact CE1-CB 3.97Å; Y633-Q642 HydrophobicContact CE1-CG 3.52Å; Y633-Q642 PolarHBondContact OH-NE2 2.63Å; Y633-W660 HydrophobicContact CD1-CH2 4.43Å; Y633-W660 AromaticContact CD1-CZ2 3.61Å; Y633-W660 HydrophobicContact CD1-CZ2 3.61Å; Y633-W660 HydrophobicContact CD2-CH2 4.14Å; Y633-W660 HydrophobicContact CD2-CZ2 4.07Å; Y633-W660 HydrophobicContact CE1-CH2 4.45Å; Y633-W660 AromaticContact CE1-CZ2 3.81Å; Y633-W660 HydrophobicContact CE1-CZ2 3.81Å; Y633-W660 HydrophobicContact CE2-CH2 4.22Å; Y633-W660 HydrophobicContact CE2-CZ2 4.31Å; Y633-W660 HydrophobicContact CG-CH2 4.25Å; Y633-W660 AromaticContact CG-CZ2 3.73Å; Y633-W660 HydrophobicContact CG-CZ2 3.73Å
634	F	97.1	Very high	90.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.3	178.6	-64.5	-95.2	0	0	0	109.1	F586 W613 V616 L620 V623 T632 Y640 L641 M643	F586-F634 HydrophobicContact CZ-CE1 4.24Å; W613-F634 HydrophobicContact CD2-CZ 4.36Å; W613-F634 HydrophobicContact CE3-CE1 4.44Å; W613-F634 AromaticContact CE3-CZ 3.72Å; W613-F634 HydrophobicContact CE3-CZ 3.72Å; W613-F634 AromaticContact CZ3-CZ 3.94Å; W613-F634 HydrophobicContact CZ3-CZ 3.94Å; V616-F634 HydrophobicContact CG1-CB 4.39Å; V616-F634 HydrophobicContact CG1-CD1 3.55Å; V616-F634 HydrophobicContact CG1-CE1 3.97Å; V616-F634 HydrophobicContact CG1-CG 3.99Å; V616-F634 HydrophobicContact CG2-CD1 4.16Å; V616-F634 HydrophobicContact CG2-CD2 4.02Å; V616-F634 HydrophobicContact CG2-CE1 4.22Å; V616-F634 HydrophobicContact CG2-CE2 4.08Å; V616-F634 HydrophobicContact CG2-CG 4.07Å; V616-F634 HydrophobicContact CG2-CZ 4.18Å; L620-F634 HydrophobicContact CD1-CD1 3.73Å; L620-F634 HydrophobicContact CD1-CE1 4.32Å; L620-F634 HydrophobicContact CD2-CB 4.17Å; L620-F634 HydrophobicContact CD2-CD1 4.38Å; V623-F634 HydrophobicContact CB-CD1 4.44Å; V623-F634 HydrophobicContact CG1-CD1 3.99Å; V623-F634 HydrophobicContact CG1-CE1 3.91Å; V623-F634 HydrophobicContact CG1-CG 4.46Å; V623-F634 HydrophobicContact CG1-CZ 4.32Å; V623-F634 HydrophobicContact CG2-CD1 3.55Å; V623-F634 HydrophobicContact CG2-CE1 3.89Å; V623-F634 HydrophobicContact CG2-CG 4.42Å; T632-F634 HydrophobicContact CG2-CD2 4.26Å; T632-F634 HydrophobicContact CG2-CE2 3.62Å; T632-F634 HydrophobicContact CG2-CZ 3.81Å; F634-Y640 CarbonylContact O-C 3.55Å; F634-Y640 WeakPolarHBondContact O-CA 3.31Å; F634-L641 HydrophobicContact CB-CB 4.41Å; F634-L641 HydrophobicContact CB-CD1 4.48Å; F634-L641 PolarHBondContact N-O 3.18Å; F634-L641 PolarHBondContact O-N 2.81Å; F634-M643 HydrophobicContact CD2-CB 4.3Å; F634-M643 HydrophobicContact CE2-CB 3.9Å; F634-M643 HydrophobicContact CE2-CE 3.71Å; F634-M643 HydrophobicContact CE2-SD 3.93Å; F634-M643 HydrophobicContact CZ-CE 4.01Å; F634-M643 HydrophobicContact CZ-SD 4.4Å
635	F	96.8	Very high	90.7	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.022	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.9	-176.4	-64	-101.9	0	0	0	110.2	V481 D621 A622 L624 I656 W660	V481-F635 HydrophobicContact CB-CE2 4.45Å; V481-F635 HydrophobicContact CG1-CE2 4.32Å; V481-F635 HydrophobicContact CG1-CZ 4.23Å; D621-F635 PolarHBondContact N-O 2.62Å; A622-F635 HydrophobicContact CB-CB 4.06Å; A622-F635 HydrophobicContact CB-CD2 4.16Å; A622-F635 HydrophobicContact CB-CG 4.32Å; A622-F635 PolarHBondContact O-N 3.27Å; L624-F635 HydrophobicContact CB-CE2 3.64Å; L624-F635 HydrophobicContact CB-CZ 4.33Å; L624-F635 HydrophobicContact CD2-CE2 4.5Å; L624-F635 HydrophobicContact CD2-CZ 4.4Å; F635-I656 HydrophobicContact CD1-CD1 3.73Å; F635-I656 HydrophobicContact CD1-CG1 3.85Å; F635-I656 HydrophobicContact CE1-CG1 4.22Å; F635-W660 HydrophobicContact CZ-CD2 4.47Å; F635-W660 HydrophobicContact CZ-CZ2 4.18Å
636	K	96.2	Very high	90.6	Very high	45 Å²	45	50.3 Å²	50.3	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	125.3	173.4	-173.3	69.7	-155.2	155.9	0	110.8	P617 N619 D621 Q638 Y639	P617-K636 HydrophobicContact CG-CB 4.09Å; P617-K636 HydrophobicContact CG-CG 4.16Å; N619-K636 VanDerWaalsContact O-CD 3.32Å; N619-K636 WeakPolarHBondContact O-CD 3.25Å; N619-K636 WeakPolarHBondContact O-CE 3.46Å; N619-K636 PolarHBondContact O-NZ 2.71Å; D621-K636 IonicContact OD1-NZ 2.8Å; D621-K636 PolarHBondContact OD1-NZ 3.44Å; D621-K636 VanDerWaalsContact OD2-CA 3.28Å; D621-K636 WeakPolarHBondContact OD2-CA 3.41Å; D621-K636 IonicContact OD2-NZ 3.65Å; K636-Q638 PolarHBondContact O-N 3.4Å; K636-Y639 PolarHBondContact N-O 2.94Å; K636-Y639 PolarHBondContact O-N 3.36Å
637	D	94	Very high	90.9	Very high	84 Å²	84	51.4 Å²	51.4	45%	0.449	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-113.3	-175.3	-52.8	-49.3	0	0	0	111.1	D621	D621-D637 PolarHBondContact OD2-N 3.12Å
638	Q	92.4	Very high	91.6	Very high	32 Å²	32	50.4 Å²	50.4	15%	0.15	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.5	-179.8	-60.9	-54.9	-55.4	0	0	113.6	D475 I476 K636 I656	D475-Q638 VanDerWaalsContact CB-CD 3.44Å; D475-Q638 HydrophobicContact CB-CG 4.01Å; I476-Q638 VanDerWaalsContact C-NE2 3.26Å; I476-Q638 PolarHBondContact O-NE2 3.21Å; K636-Q638 PolarHBondContact O-N 3.4Å; Q638-I656 PolarHBondContact O-N 3.15Å
639	Y	94.8	Very high	92.5	Very high	113 Å²	113	49 Å²	49	44%	0.443	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.4	-170.8	-58.4	-85.8	0	0	0	111.9	K636 G654 K655	K636-Y639 PolarHBondContact N-O 2.94Å; K636-Y639 PolarHBondContact O-N 3.36Å; Y639-G654 CarbonylContact C-O 3.59Å; Y639-G654 VanDerWaalsContact CA-O 3.3Å; Y639-G654 WeakPolarHBondContact CA-O 3.17Å; Y639-K655 HydrophobicContact CD1-CG 3.81Å; Y639-K655 HydrophobicContact CE1-CD 4.27Å; Y639-K655 HydrophobicContact CE1-CG 3.59Å
640	Y	95.6	Very high	93.3	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.4	167.9	75.1	-85.4	0	0	0	111.2	Y633 F634 Q642 K652 I653 G654 D659 W660	Y633-Y640 AromaticContact CD1-CD2 3.71Å; Y633-Y640 HydrophobicContact CD1-CD2 3.71Å; Y633-Y640 AromaticContact CD1-CE2 3.73Å; Y633-Y640 HydrophobicContact CD1-CE2 3.73Å; Y633-Y640 HydrophobicContact CE1-CE2 4.1Å; F634-Y640 CarbonylContact O-C 3.55Å; F634-Y640 WeakPolarHBondContact O-CA 3.31Å; Y640-Q642 HydrophobicContact CE2-CB 4.13Å; Y640-K652 WeakPolarHBondContact OH-CE 3.36Å; Y640-K652 PolarHBondContact OH-NZ 3.41Å; Y640-I653 WeakPolarHBondContact O-CA 2.93Å; Y640-G654 WeakPolarHBondContact CD1-O 3.45Å; Y640-G654 VanDerWaalsContact CE1-C 3.45Å; Y640-G654 VanDerWaalsContact CE1-CA 3.4Å; Y640-G654 PolarHBondContact N-O 2.8Å; Y640-G654 PolarHBondContact O-N 2.97Å; Y640-D659 HydrophobicContact CE1-CB 3.71Å; Y640-D659 WeakPolarHBondContact CE1-OD2 3.35Å; Y640-D659 PolarHBondContact OH-OD2 3.5Å; Y640-W660 AromaticContact CD1-CD1 3.71Å; Y640-W660 AromaticContact CD1-NE1 3.44Å; Y640-W660 AromaticContact CD2-NE1 3.97Å; Y640-W660 AromaticContact CE1-CD1 3.69Å; Y640-W660 AromaticContact CE1-NE1 3.43Å; Y640-W660 AromaticContact CE2-NE1 3.94Å; Y640-W660 AromaticContact CG-NE1 3.72Å; Y640-W660 AromaticContact CZ-NE1 3.69Å
641	L	96.6	Very high	93.6	Very high	20 Å²	20	51.5 Å²	51.5	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.4	172.1	-56.4	91.6	0	0	0	108.8	G615 P617 Y633 F634 I650 I653	G615-L641 VanDerWaalsContact O-CD2 3.26Å; G615-L641 WeakPolarHBondContact O-CD2 3.43Å; P617-L641 HydrophobicContact CG-CD1 4.36Å; Y633-L641 WeakPolarHBondContact CA-O 3.26Å; F634-L641 HydrophobicContact CB-CB 4.41Å; F634-L641 HydrophobicContact CB-CD1 4.48Å; F634-L641 PolarHBondContact N-O 3.18Å; F634-L641 PolarHBondContact O-N 2.81Å; L641-I650 HydrophobicContact CB-CD1 4.07Å; L641-I650 HydrophobicContact CB-CG2 4.17Å; L641-I650 HydrophobicContact CD2-CD1 4.42Å; L641-I650 HydrophobicContact CD2-CG1 4.3Å; L641-I650 HydrophobicContact CD2-CG2 4.29Å; L641-I653 HydrophobicContact CG-CG1 4.39Å
642	Q	95.2	Very high	93.7	Very high	28 Å²	28	52.1 Å²	52.1	13%	0.131	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120	173.1	-175.1	178.6	10.5	0	0	109.4	Y631 Y633 Y640 I650 V651 K652	Y631-Q642 HydrophobicContact CD1-CG 3.82Å; Y631-Q642 HydrophobicContact CG-CG 4.14Å; Y631-Q642 VanDerWaalsContact CG-NE2 3.29Å; Y633-Q642 HydrophobicContact CD1-CB 3.96Å; Y633-Q642 HydrophobicContact CD1-CG 3.93Å; Y633-Q642 HydrophobicContact CE1-CB 3.97Å; Y633-Q642 HydrophobicContact CE1-CG 3.52Å; Y633-Q642 PolarHBondContact OH-NE2 2.63Å; Y640-Q642 HydrophobicContact CE2-CB 4.13Å; Q642-I650 CarbonylContact O-C 3.57Å; Q642-I650 WeakPolarHBondContact O-CA 3.39Å; Q642-V651 HydrophobicContact CB-CG2 4.15Å; Q642-V651 HydrophobicContact CG-CG2 3.8Å; Q642-V651 WeakPolarHBondContact O-CG2 3.4Å; Q642-V651 PolarHBondContact O-N 3.41Å; Q642-K652 HydrophobicContact CB-CB 4.02Å; Q642-K652 PolarHBondContact N-O 3.3Å
643	M	94.4	Very high	93.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135	176.5	-172.1	-176.6	68.2	0	0	110.5	W577 W613 Y631 T632 F634 L648 K649 I650	W577-M643 HydrophobicContact CZ2-CE 4.19Å; W613-M643 HydrophobicContact CE3-CE 3.79Å; W613-M643 HydrophobicContact CE3-SD 3.96Å; W613-M643 HydrophobicContact CZ3-CE 3.49Å; W613-M643 VanDerWaalsContact CZ3-CE 3.49Å; W613-M643 HydrophobicContact CZ3-SD 4.28Å; Y631-M643 CarbonylContact C-O 3.45Å; Y631-M643 VanDerWaalsContact CA-O 3.25Å; Y631-M643 WeakPolarHBondContact CA-O 3.44Å; T632-M643 PolarHBondContact N-O 3.05Å; T632-M643 PolarHBondContact O-N 3.34Å; F634-M643 HydrophobicContact CD2-CB 4.3Å; F634-M643 HydrophobicContact CE2-CB 3.9Å; F634-M643 HydrophobicContact CE2-CE 3.71Å; F634-M643 HydrophobicContact CE2-SD 3.93Å; F634-M643 HydrophobicContact CZ-CE 4.01Å; F634-M643 HydrophobicContact CZ-SD 4.4Å; M643-L648 HydrophobicContact CE-CD2 4.1Å; M643-L648 HydrophobicContact SD-CB 4.41Å; M643-L648 HydrophobicContact SD-CD2 4.31Å; M643-K649 WeakPolarHBondContact CA-O 3.3Å; M643-I650 HydrophobicContact CB-CD1 3.81Å; M643-I650 HydrophobicContact CG-CD1 4.12Å
644	E	92.9	Very high	93.7	Very high	61 Å²	61	56.7 Å²	56.7	29%	0.285	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.3	171	-175.8	-175.3	-122.2	0	0	110.8	Y631 K646 S647 L648 K649 V651	Y631-E644 HydrophobicContact CD1-CB 4.16Å; Y631-E644 HydrophobicContact CE1-CB 3.95Å; Y631-E644 HydrophobicContact CE1-CG 4.11Å; E644-K646 PolarHBondContact O-N 2.97Å; E644-K646 VanDerWaalsContact O-N 3.15Å; E644-S647 PolarHBondContact O-N 2.91Å; E644-S647 VanDerWaalsContact OE2-CB 3.29Å; E644-S647 WeakPolarHBondContact OE2-CB 3.39Å; E644-S647 PolarHBondContact OE2-OG 3.06Å; E644-L648 WeakPolarHBondContact O-CA 3.44Å; E644-L648 PolarHBondContact O-N 3.44Å; E644-K649 PolarHBondContact N-O 2.83Å; E644-V651 HydrophobicContact CB-CG1 4.01Å
645	D	90.1	Very high	93.5	Very high	18 Å²	18	62.3 Å²	62.3	10%	0.096	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.4	-171.5	-73.7	-17.1	0	0	0	114	W577 R579 G630 T632 L648	W577-D645 HydrophobicContact CZ2-CB 4.42Å; W577-D645 PolarHBondContact NE1-OD1 3.1Å; W577-D645 PolarHBondContact NE1-OD2 3.29Å; R579-D645 WeakPolarHBondContact CD-O 3.46Å; R579-D645 PolarHBondContact NH1-O 2.95Å; G630-D645 WeakPolarHBondContact O-CB 3.35Å; G630-D645 PolarHBondContact O-N 3.33Å; T632-D645 PolarHBondContact N-OD1 3.03Å; T632-D645 PolarHBondContact OG1-OD1 2.62Å; D645-L648 WeakPolarHBondContact O-CD2 3.35Å
646	K	88.6	Confident	93.3	Very high	184 Å²	184	62.2 Å²	62.2	80%	0.8	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-48	-179.4	-69.6	-177.9	-177.9	173.4	0	111.8	E644	E644-K646 PolarHBondContact O-N 2.97Å; E644-K646 VanDerWaalsContact O-N 3.15Å
647	S	89.9	Confident	93	Very high	51 Å²	51	61.5 Å²	61.5	36%	0.357	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-15.9	-173.8	64.6	0	0	0	0	113.8	E644 K649	E644-S647 PolarHBondContact O-N 2.91Å; E644-S647 VanDerWaalsContact OE2-CB 3.29Å; E644-S647 WeakPolarHBondContact OE2-CB 3.39Å; E644-S647 PolarHBondContact OE2-OG 3.06Å; S647-K649 PolarHBondContact O-N 2.84Å
648	L	89.4	Confident	92.7	Very high	60 Å²	60	60.3 Å²	60.3	31%	0.314	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	33.3	-172.7	-50.4	-176.8	0	0	0	112.7	W577 M643 E644 D645	W577-L648 HydrophobicContact CH2-CD1 4.45Å; W577-L648 HydrophobicContact CH2-CD2 3.39Å; W577-L648 HydrophobicContact CZ2-CD2 3.44Å; W577-L648 VanDerWaalsContact CZ2-CD2 3.44Å; M643-L648 HydrophobicContact CE-CD2 4.1Å; M643-L648 HydrophobicContact SD-CB 4.41Å; M643-L648 HydrophobicContact SD-CD2 4.31Å; E644-L648 WeakPolarHBondContact O-CA 3.44Å; E644-L648 PolarHBondContact O-N 3.44Å; D645-L648 WeakPolarHBondContact O-CD2 3.35Å
649	K	92	Very high	92.6	Very high	147 Å²	147	61.1 Å²	61.1	64%	0.639	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	139	176.2	-66	-175	178.7	-177.2	0	109.8	M643 E644 S647 V651	M643-K649 WeakPolarHBondContact CA-O 3.3Å; E644-K649 PolarHBondContact N-O 2.83Å; S647-K649 PolarHBondContact O-N 2.84Å; K649-V651 PolarHBondContact O-N 2.98Å
650	I	94.3	Very high	92.3	Very high	49 Å²	49	56.1 Å²	56.1	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.1	166.7	-55.4	-51.4	0	0	0	108.1	V616 L641 Q642 M643 I653	V616-I650 HydrophobicContact CG2-CD1 4.25Å; L641-I650 HydrophobicContact CB-CD1 4.07Å; L641-I650 HydrophobicContact CB-CG2 4.17Å; L641-I650 HydrophobicContact CD2-CD1 4.42Å; L641-I650 HydrophobicContact CD2-CG1 4.3Å; L641-I650 HydrophobicContact CD2-CG2 4.29Å; Q642-I650 CarbonylContact O-C 3.57Å; Q642-I650 WeakPolarHBondContact O-CA 3.39Å; M643-I650 HydrophobicContact CB-CD1 3.81Å; M643-I650 HydrophobicContact CG-CD1 4.12Å; I650-I653 HydrophobicContact CG2-CG1 4.25Å
651	V	94.9	Very high	92	Very high	76 Å²	76	55.8 Å²	55.8	46%	0.461	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-21.9	-177.7	-65.4	0	0	0	0	112.6	Y631 Q642 E644 K649	Y631-V651 HydrophobicContact CD1-CG2 4.25Å; Y631-V651 HydrophobicContact CE1-CG2 4Å; Q642-V651 HydrophobicContact CB-CG2 4.15Å; Q642-V651 HydrophobicContact CG-CG2 3.8Å; Q642-V651 WeakPolarHBondContact O-CG2 3.4Å; Q642-V651 PolarHBondContact O-N 3.41Å; E644-V651 HydrophobicContact CB-CG1 4.01Å; K649-V651 PolarHBondContact O-N 2.98Å
652	K	94.2	Very high	91.3	Very high	89 Å²	89	56.6 Å²	56.6	39%	0.387	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	144	179.5	-176.8	-177.1	174.4	-164.9	0	110.5	Y640 Q642 D659	Y640-K652 WeakPolarHBondContact OH-CE 3.36Å; Y640-K652 PolarHBondContact OH-NZ 3.41Å; Q642-K652 HydrophobicContact CB-CB 4.02Å; Q642-K652 PolarHBondContact N-O 3.3Å; K652-D659 WeakPolarHBondContact CE-OD2 3.43Å; K652-D659 IonicContact NZ-OD2 2.69Å; K652-D659 PolarHBondContact NZ-OD2 2.03Å
653	I	95.3	Very high	90.8	Very high	113 Å²	113	59.2 Å²	59.2	58%	0.579	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.4	161.9	-57.8	174.8	0	0	0	106.1	Y640 L641 I650	Y640-I653 WeakPolarHBondContact O-CA 2.93Å; L641-I653 HydrophobicContact CG-CG1 4.39Å; I650-I653 HydrophobicContact CG2-CG1 4.25Å
654	G	93.6	Very high	90.6	Very high	8 Å²	8	62.2 Å²	62.2	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	168.3	-179.4	0	0	0	0	0	112	Y639 Y640	Y639-G654 CarbonylContact C-O 3.59Å; Y639-G654 VanDerWaalsContact CA-O 3.3Å; Y639-G654 WeakPolarHBondContact CA-O 3.17Å; Y640-G654 WeakPolarHBondContact CD1-O 3.45Å; Y640-G654 VanDerWaalsContact CE1-C 3.45Å; Y640-G654 VanDerWaalsContact CE1-CA 3.4Å; Y640-G654 PolarHBondContact N-O 2.8Å; Y640-G654 PolarHBondContact O-N 2.97Å
655	K	93	Very high	90.5	Very high	119 Å²	119	62.2 Å²	62.2	52%	0.517	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.4	173.4	-73.4	-174.3	175.6	-170.4	0	109.7	Y639 S658 D659	Y639-K655 HydrophobicContact CD1-CG 3.81Å; Y639-K655 HydrophobicContact CE1-CD 4.27Å; Y639-K655 HydrophobicContact CE1-CG 3.59Å; K655-S658 PolarHBondContact O-OG 3.41Å; K655-D659 WeakPolarHBondContact O-CB 3.41Å; K655-D659 PolarHBondContact O-N 3.23Å
656	I	92.1	Very high	90.5	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-49.1	-177.6	-60	168.4	0	0	0	110.1	F478 F635 Q638 S658 D659 W660 L661	F478-I656 HydrophobicContact CD2-CG2 4.38Å; F478-I656 HydrophobicContact CE2-CG2 3.92Å; F635-I656 HydrophobicContact CD1-CD1 3.73Å; F635-I656 HydrophobicContact CD1-CG1 3.85Å; F635-I656 HydrophobicContact CE1-CG1 4.22Å; Q638-I656 PolarHBondContact O-N 3.15Å; I656-S658 PolarHBondContact O-N 2.99Å; I656-D659 PolarHBondContact O-N 2.69Å; I656-W660 HydrophobicContact CG2-CB 4.4Å; I656-W660 WeakPolarHBondContact O-CB 3.37Å; I656-W660 PolarHBondContact O-N 2.58Å; I656-L661 HydrophobicContact CG2-CD1 4.26Å; I656-L661 HydrophobicContact CG2-CG 4.2Å; I656-L661 PolarHBondContact O-N 2.94Å
657	N	88.7	Confident	90.7	Very high	30 Å²	30	57.6 Å²	57.6	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-55.6	-45.8	-177.4	-66.6	-11	0	0	0	113	D475 L661 C663	D475-N657 PolarHBondContact OD1-ND2 2.78Å; D475-N657 VanDerWaalsContact OD1-ND2 3.13Å; N657-L661 PolarHBondContact O-N 3.19Å; N657-L661 VanDerWaalsContact OD1-CD1 3.31Å; N657-L661 WeakPolarHBondContact OD1-CD1 3.33Å; N657-C663 HydrophobicContact CB-CB 4.23Å; N657-C663 WeakPolarHBondContact O-CB 3.38Å; N657-C663 PolarHBondContact O-N 2.8Å; N657-C663 PolarHBondContact O-SG 3.13Å
658	S	87.9	Confident	90.7	Very high	59 Å²	59	58.1 Å²	58.1	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-77.5	-37	-176.2	61	0	0	0	0	114.1	K655 I656 C663	K655-S658 PolarHBondContact O-OG 3.41Å; I656-S658 PolarHBondContact O-N 2.99Å; S658-C663 WeakPolarHBondContact CA-OXT 3.44Å
659	D	90.1	Very high	90.8	Very high	48 Å²	48	57.9 Å²	57.9	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-97.2	-23.3	-167.8	-67.7	14.4	0	0	0	112.7	Y640 K652 K655 I656	Y640-D659 HydrophobicContact CE1-CB 3.71Å; Y640-D659 WeakPolarHBondContact CE1-OD2 3.35Å; Y640-D659 PolarHBondContact OH-OD2 3.5Å; K652-D659 WeakPolarHBondContact CE-OD2 3.43Å; K652-D659 IonicContact NZ-OD2 2.69Å; K652-D659 PolarHBondContact NZ-OD2 2.03Å; K655-D659 WeakPolarHBondContact O-CB 3.41Å; K655-D659 PolarHBondContact O-N 3.23Å; I656-D659 PolarHBondContact O-N 2.69Å
660	W	89.6	Confident	90.7	Very high	8 Å²	8	51.6 Å²	51.6	3%	0.03	29%	0.293	C	S	.	.	H	α-helix	trans	-121.3	-28.2	-173.6	-69	93.6	0	0	0	114.6	I488 F490 P502 L624 L626 Y633 F635 Y640 I656	I488-W660 HydrophobicContact CD1-CZ3 3.95Å; F490-W660 HydrophobicContact CE1-CB 4.25Å; F490-W660 HydrophobicContact CZ-CB 4Å; F490-W660 HydrophobicContact CZ-CE3 4.07Å; P502-W660 HydrophobicContact CB-CE3 4.15Å; P502-W660 HydrophobicContact CB-CZ3 3.91Å; L624-W660 HydrophobicContact CD2-CH2 3.49Å; L624-W660 VanDerWaalsContact CD2-CH2 3.49Å; L624-W660 HydrophobicContact CD2-CZ2 4.32Å; L624-W660 HydrophobicContact CD2-CZ3 3.6Å; L626-W660 HydrophobicContact CD1-CH2 3.92Å; L626-W660 HydrophobicContact CD1-CZ3 4.4Å; L626-W660 HydrophobicContact CG-CH2 4.5Å; Y633-W660 HydrophobicContact CD1-CH2 4.43Å; Y633-W660 AromaticContact CD1-CZ2 3.61Å; Y633-W660 HydrophobicContact CD1-CZ2 3.61Å; Y633-W660 HydrophobicContact CD2-CH2 4.14Å; Y633-W660 HydrophobicContact CD2-CZ2 4.07Å; Y633-W660 HydrophobicContact CE1-CH2 4.45Å; Y633-W660 AromaticContact CE1-CZ2 3.81Å; Y633-W660 HydrophobicContact CE1-CZ2 3.81Å; Y633-W660 HydrophobicContact CE2-CH2 4.22Å; Y633-W660 HydrophobicContact CE2-CZ2 4.31Å; Y633-W660 HydrophobicContact CG-CH2 4.25Å; Y633-W660 AromaticContact CG-CZ2 3.73Å; Y633-W660 HydrophobicContact CG-CZ2 3.73Å; F635-W660 HydrophobicContact CZ-CD2 4.47Å; F635-W660 HydrophobicContact CZ-CZ2 4.18Å; Y640-W660 AromaticContact CD1-CD1 3.71Å; Y640-W660 AromaticContact CD1-NE1 3.44Å; Y640-W660 AromaticContact CD2-NE1 3.97Å; Y640-W660 AromaticContact CE1-CD1 3.69Å; Y640-W660 AromaticContact CE1-NE1 3.43Å; Y640-W660 AromaticContact CE2-NE1 3.94Å; Y640-W660 AromaticContact CG-NE1 3.72Å; Y640-W660 AromaticContact CZ-NE1 3.69Å; I656-W660 HydrophobicContact CG2-CB 4.4Å; I656-W660 WeakPolarHBondContact O-CB 3.37Å; I656-W660 PolarHBondContact O-N 2.58Å
661	L	88.4	Confident	90.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-102.4	-4	-173	-52.4	-176.4	0	0	0	113.6	L471 F478 F490 P506 I656 N657 C663	L471-L661 HydrophobicContact CD2-CD1 4.21Å; F478-L661 HydrophobicContact CE2-CD1 3.98Å; F478-L661 HydrophobicContact CE2-CD2 4.12Å; F478-L661 HydrophobicContact CZ-CD1 3.87Å; F478-L661 HydrophobicContact CZ-CD2 3.94Å; F490-L661 HydrophobicContact CD1-CD2 4.2Å; F490-L661 HydrophobicContact CD2-CD2 4.49Å; F490-L661 HydrophobicContact CE1-CD2 4.09Å; F490-L661 HydrophobicContact CE2-CD2 4.38Å; F490-L661 HydrophobicContact CG-CD2 4.41Å; F490-L661 HydrophobicContact CZ-CD2 4.19Å; P506-L661 WeakPolarHBondContact CD-O 3.35Å; P506-L661 HydrophobicContact CG-CD2 4.13Å; I656-L661 HydrophobicContact CG2-CD1 4.26Å; I656-L661 HydrophobicContact CG2-CG 4.2Å; I656-L661 PolarHBondContact O-N 2.94Å; N657-L661 PolarHBondContact O-N 3.19Å; N657-L661 VanDerWaalsContact OD1-CD1 3.31Å; N657-L661 WeakPolarHBondContact OD1-CD1 3.33Å; L661-C663 PolarHBondContact O-N 2.97Å
662	G	83.5	Confident	90.1	Very high	38 Å²	38	49.8 Å²	49.8	39%	0.392	28%	0.282	S	S	.	.			trans	66.7	24.5	-178.8	0	0	0	0	0	113.4
663	C	84.4	Confident	89.7	Confident	82 Å²	82	46.2 Å²	46.2	55%	0.554	27%	0.273	S	S	*	.			trans	-84.5	0	158.3	-30.1	0	0	0	0	108.7	C472 N657 S658 L661	C472-C663 WeakPolarHBondContact CA-SG 3.26Å; C472-C663 HydrophobicContact CB-CB 3.77Å; C472-C663 WeakPolarHBondContact CB-SG 3.11Å; C472-C663 WeakPolarHBondContact SG-CB 3.03Å; C472-C663 CovalentContact SG-SG 2.03Å; C472-C663 PolarHBondContact SG-SG 3.03Å; N657-C663 HydrophobicContact CB-CB 4.23Å; N657-C663 WeakPolarHBondContact O-CB 3.38Å; N657-C663 PolarHBondContact O-N 2.8Å; N657-C663 PolarHBondContact O-SG 3.13Å; S658-C663 WeakPolarHBondContact CA-OXT 3.44Å; L661-C663 PolarHBondContact O-N 2.97Å

Retrieved 663 of 663 residues in 199.7 ms (Link to these results)

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