A0A5K4F8Y4_SCHMA Loading...

Haloacid dehalogenase-like hydrolase domain-containing 5

AlphaFold DB , UniProt , Accession A0A5K4F8Y4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 427 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	34.1	Very low	31.5	Very low	236 Å²	236	159.1 Å²	159.1	100%	1.163	84%	0.84	S	S	*	*				0	109.6	0	-77.2	176	-174	0	0	106.9
2	T	33.1	Very low	31.6	Very low	137 Å²	137	158.4 Å²	158.4	84%	0.84	84%	0.835	S	S	*	*			trans	50	91	157.9	52.9	0	0	0	0	116.9
3	E	27.6	Very low	31.8	Very low	188 Å²	188	157.7 Å²	157.7	88%	0.879	82%	0.821	S	S	*	*				42	109.8	78.1	-88.6	-173.8	-173.7	0	0	114.8
4	I	35.9	Very low	31.8	Very low	169 Å²	169	155.1 Å²	155.1	87%	0.867	82%	0.815	S	S	*	*			trans	-150	104.1	133	-56.4	-171.4	0	0	0	108.1
5	E	28.5	Very low	32.3	Very low	161 Å²	161	155.3 Å²	155.3	75%	0.752	80%	0.802	S	S	*	*			trans	-71.9	136.5	161.6	-73.5	-173.9	144.5	0	0	109.5
6	N	33.7	Very low	32.2	Very low	160 Å²	160	155.8 Å²	155.8	86%	0.856	80%	0.8	S	S	*	*			trans	-123.7	98.9	167.3	-153.4	5.8	0	0	0	109.1
7	K	29.9	Very low	32.1	Very low	175 Å²	175	155.9 Å²	155.9	76%	0.761	80%	0.803	S	S	*	*			trans	-89.3	100.5	171.6	-80.4	177.6	177.8	163.8	0	109
8	G	30.3	Very low	32.1	Very low	75 Å²	75	156.6 Å²	156.6	77%	0.773	80%	0.801	S	S	*	*			trans	-86.2	110.3	161.4	0	0	0	0	0	109.6
9	K	30.4	Very low	32.1	Very low	203 Å²	203	157.1 Å²	157.1	88%	0.883	81%	0.806	S	S	*	*			trans	-72	121.2	168.9	-80.4	180	173.3	-178.8	0	108.7
10	A	30.5	Very low	32.3	Very low	89 Å²	89	156.1 Å²	156.1	74%	0.736	80%	0.802	S	S	*	*			trans	-77.5	117.5	161.2	0	0	0	0	0	108.2	I12	A10-I12 PolarHBondContact O-N 3.3Å
11	E	32.1	Very low	32.3	Very low	157 Å²	157	154.1 Å²	154.1	73%	0.734	80%	0.802	S	S	*	*			trans	-75.9	101.6	170.7	-74.9	-175.3	162.3	0	0	109.1	F13	E11-F13 HydrophobicContact CB-CD2 4.21Å; E11-F13 HydrophobicContact CB-CE2 3.81Å; E11-F13 PolarHBondContact O-N 2.91Å; E11-F13 WeakPolarHBondContact OE2-CE2 3.47Å
12	I	33	Very low	32.6	Very low	151 Å²	151	148.4 Å²	148.4	77%	0.774	78%	0.781	S	S	*	*			trans	-79.1	105	167.9	-63.7	172.1	0	0	0	106.9	A10 T14	A10-I12 PolarHBondContact O-N 3.3Å; I12-T14 PolarHBondContact O-N 3.26Å
13	F	33.7	Very low	32.7	Very low	149 Å²	149	149.7 Å²	149.7	65%	0.654	78%	0.782	S	S	*	*			trans	-82.4	112.1	172.1	-79.8	-84.9	0	0	0	110.4	E11	E11-F13 HydrophobicContact CB-CD2 4.21Å; E11-F13 HydrophobicContact CB-CE2 3.81Å; E11-F13 PolarHBondContact O-N 2.91Å; E11-F13 WeakPolarHBondContact OE2-CE2 3.47Å
14	T	32.7	Very low	33.1	Very low	121 Å²	121	147.1 Å²	147.1	74%	0.742	78%	0.784	S	S	*	*			trans	-82.3	121.6	166.2	47.7	0	0	0	0	109.4	I12 E16	I12-T14 PolarHBondContact O-N 3.26Å; T14-E16 PolarHBondContact O-N 3.23Å
15	Y	38.8	Very low	33.4	Very low	159 Å²	159	143.6 Å²	143.6	62%	0.624	77%	0.774	S	S	*	*			trans	-85.4	108.9	174.6	-70.3	-83.9	0	0	0	110.1	L285	Y15-L285 HydrophobicContact CE1-CD2 4.11Å
16	E	31.4	Very low	33.9	Very low	162 Å²	162	145.3 Å²	145.3	76%	0.757	78%	0.782	S	S	*	*			trans	-76.9	121.4	167.7	-70.9	-175.8	158.8	0	0	109.7	T14 H18	T14-E16 PolarHBondContact O-N 3.23Å; E16-H18 PolarHBondContact O-N 2.85Å; E16-H18 VanDerWaalsContact O-N 3.13Å
17	N	30.2	Very low	34.4	Very low	159 Å²	159	142.5 Å²	142.5	85%	0.85	77%	0.767	S	S	*	*			trans	-73.2	96.7	173.4	-86.8	-27.2	0	0	0	109.8	N19	N17-N19 PolarHBondContact O-N 3.33Å
18	H	32.7	Very low	35.2	Very low	167 Å²	167	139.2 Å²	139.2	77%	0.773	77%	0.766	S	S	*	*			trans	-85.7	102.3	160.9	-83.3	-59	0	0	0	109.8	E16 D20	E16-H18 PolarHBondContact O-N 2.85Å; E16-H18 VanDerWaalsContact O-N 3.13Å; H18-D20 PolarHBondContact O-N 2.79Å
19	N	31.1	Very low	36.2	Very low	167 Å²	167	139.9 Å²	139.9	89%	0.893	75%	0.752	S	S	*	*			trans	-68.7	107	155.5	-96	-12	0	0	0	107	N17	N17-N19 PolarHBondContact O-N 3.33Å
20	D	35.7	Very low	37.5	Very low	136 Å²	136	132.5 Å²	132.5	73%	0.727	73%	0.726	S	S	*	*			trans	-123.6	113.3	166.8	-140.6	-3	0	0	0	109.5	H18	H18-D20 PolarHBondContact O-N 2.79Å
21	S	32.7	Very low	38.8	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	73%	0.726	S	S	*	*			trans	-96.6	100.2	175.4	50.6	0	0	0	0	107.7
22	T	40.5	Very low	41.1	Very low	115 Å²	115	132.3 Å²	132.3	71%	0.706	71%	0.709	S	S	*	*			trans	-145.3	116.2	173.3	45.4	0	0	0	0	112.3
23	D	36.2	Very low	43.8	Very low	164 Å²	164	126.8 Å²	126.8	88%	0.877	68%	0.68	S	S	*	*			trans	22.8	124.4	149.9	-99.9	-30.3	0	0	0	120.9	S25	D23-S25 PolarHBondContact O-N 2.77Å
24	C	34.4	Very low	46.7	Very low	135 Å²	135	119.7 Å²	119.7	91%	0.912	65%	0.65	S	S	*	*			trans	-75.5	97.9	168.2	-61	0	0	0	0	111.1
25	S	42.9	Very low	49.7	Very low	95 Å²	95	115 Å²	115	66%	0.664	62%	0.62	S	S	*	*			trans	-98	122.1	147.7	54.3	0	0	0	0	108.1	D23 D27	D23-S25 PolarHBondContact O-N 2.77Å; S25-D27 VanDerWaalsContact C-N 3.33Å; S25-D27 PolarHBondContact O-N 2.9Å
26	E	39.6	Very low	52.5	Low	197 Å²	197	107.5 Å²	107.5	92%	0.921	59%	0.59	S	S	*	*			trans	-63.2	90.6	174.3	-69.7	-179.9	158.6	0	0	109.9	S28	E26-S28 PolarHBondContact O-N 3.19Å
27	D	44.4	Very low	55.7	Low	100 Å²	100	99.8 Å²	99.8	54%	0.535	55%	0.554	S	S	.	*			trans	-65.2	119.6	169.5	-99.9	-23.3	0	0	0	108.6	S25 D29 S30	S25-D27 VanDerWaalsContact C-N 3.33Å; S25-D27 PolarHBondContact O-N 2.9Å; D27-D29 PolarHBondContact O-N 3.08Å; D27-S30 PolarHBondContact O-N 2.95Å; D27-S30 PolarHBondContact O-OG 3.37Å
28	S	46.3	Very low	59	Low	106 Å²	106	92.2 Å²	92.2	74%	0.741	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-57.3	-12.6	179.7	53.2	0	0	0	0	114.7	E26	E26-S28 PolarHBondContact O-N 3.19Å
29	D	52	Low	62.1	Low	90 Å²	90	84.3 Å²	84.3	48%	0.481	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-78.1	-18.6	174.8	-108.4	4.4	0	0	0	113.6	D27 H31 Q32	D27-D29 PolarHBondContact O-N 3.08Å; D29-H31 PolarHBondContact O-N 3.05Å; D29-Q32 PolarHBondContact O-N 3Å
30	S	55.9	Low	65.3	Low	48 Å²	48	76.3 Å²	76.3	34%	0.336	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-64.2	-19.6	-176	70.4	0	0	0	0	113.8	D27 Q32 E33	D27-S30 PolarHBondContact O-N 2.95Å; D27-S30 PolarHBondContact O-OG 3.37Å; S30-Q32 PolarHBondContact O-N 3.44Å; S30-E33 PolarHBondContact O-N 2.88Å
31	H	59.1	Low	68.2	Low	160 Å²	160	70.5 Å²	70.5	74%	0.741	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-73.3	-12.3	175.6	-75.9	-61.3	0	0	0	113.7	D29	D29-H31 PolarHBondContact O-N 3.05Å
32	Q	79.1	Confident	71.2	Confident	81 Å²	81	65 Å²	65	38%	0.379	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-94.9	-7.4	176.8	-61.4	-167	-7.6	0	0	113.6	D29 S30 F419	D29-Q32 PolarHBondContact O-N 3Å; S30-Q32 PolarHBondContact O-N 3.44Å; Q32-F419 WeakPolarHBondContact O-CE2 3.39Å
33	E	91.1	Very high	73.5	Confident	35 Å²	35	62.4 Å²	62.4	16%	0.164	35%	0.347	C	S	.	.	S	Bend	trans	-98.3	133.1	179.7	-59.7	-173.8	173.3	0	0	111.7	S30 N35 Y292 K293 R294	S30-E33 PolarHBondContact O-N 2.88Å; E33-N35 PolarHBondContact O-N 3.32Å; E33-Y292 HydrophobicContact CB-CD1 4.19Å; E33-Y292 HydrophobicContact CB-CG 4.37Å; E33-Y292 HydrophobicContact CG-CD1 3.74Å; E33-Y292 HydrophobicContact CG-CE1 4.31Å; E33-Y292 HydrophobicContact CG-CG 4.3Å; E33-K293 PolarHBondContact OE2-N 3.09Å; E33-R294 HydrophobicContact CB-CB 4.14Å; E33-R294 PolarHBondContact O-NH1 3.11Å; E33-R294 WeakPolarHBondContact OE2-CB 3.47Å; E33-R294 PolarHBondContact OE2-N 3.28Å
34	P	94.5	Very high	76.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	31%	0.308	C	S	.	.			trans	-69.7	131.8	174.4	30.5	-33.8	0	0	0	110.7	F36 Y292 F419	P34-F36 VanDerWaalsContact C-N 3.31Å; P34-F36 HydrophobicContact CB-CD1 3.94Å; P34-F36 HydrophobicContact CB-CE1 3.7Å; P34-F36 HydrophobicContact CB-CZ 4.29Å; P34-Y292 VanDerWaalsContact CD-CE2 3.44Å; P34-Y292 HydrophobicContact CG-CD2 3.95Å; P34-Y292 HydrophobicContact CG-CE2 3.51Å; P34-F419 HydrophobicContact CB-CE1 4.3Å; P34-F419 HydrophobicContact CB-CE2 4.31Å; P34-F419 HydrophobicContact CB-CZ 4.18Å; P34-F419 HydrophobicContact CG-CE1 4.45Å; P34-F419 HydrophobicContact CG-CZ 4.13Å
35	N	95.2	Very high	79	Confident	22 Å²	22	48.5 Å²	48.5	12%	0.118	27%	0.265	C	S	.	.	S	Bend	trans	-93.5	14.6	167.5	60.5	-44.6	0	0	0	113.1	E33 R294 I296 D297 R298	E33-N35 PolarHBondContact O-N 3.32Å; N35-R294 HydrophobicContact CB-CG 4.06Å; N35-R294 VanDerWaalsContact CB-CZ 3.46Å; N35-R294 VanDerWaalsContact CG-CZ 3.46Å; N35-R294 VanDerWaalsContact CG-NH2 3.31Å; N35-R294 PolarHBondContact ND2-NH2 3.06Å; N35-R294 PolarHBondContact OD1-NH1 3.38Å; N35-I296 CarbonylContact O-C 3.54Å; N35-I296 WeakPolarHBondContact O-CA 3.36Å; N35-D297 PolarHBondContact ND2-OD1 2.76Å; N35-D297 PolarHBondContact O-N 3.15Å; N35-R298 PolarHBondContact O-N 2.8Å
36	F	97.7	Very high	81.5	Confident	1 Å²	1	44 Å²	44	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.5	-178.6	68.3	-82.9	0	0	0	110.8	P34 L38 V73 R298 F300 I413 L414 Q417 F419	P34-F36 VanDerWaalsContact C-N 3.31Å; P34-F36 HydrophobicContact CB-CD1 3.94Å; P34-F36 HydrophobicContact CB-CE1 3.7Å; P34-F36 HydrophobicContact CB-CZ 4.29Å; F36-L38 HydrophobicContact CD2-CD2 3.82Å; F36-L38 HydrophobicContact CD2-CG 4.4Å; F36-L38 HydrophobicContact CE2-CD2 3.89Å; F36-L38 HydrophobicContact CE2-CG 4.28Å; F36-V73 HydrophobicContact CD2-CG1 4.11Å; F36-V73 HydrophobicContact CE2-CG1 3.56Å; F36-V73 HydrophobicContact CE2-CG2 4.31Å; F36-V73 HydrophobicContact CZ-CG1 4.06Å; F36-V73 HydrophobicContact CZ-CG2 4.1Å; F36-R298 CarbonylContact C-O 3.35Å; F36-R298 WeakPolarHBondContact CA-O 3.25Å; F36-R298 HydrophobicContact CB-CB 4.13Å; F36-R298 WeakPolarHBondContact CB-O 3.46Å; F36-F300 HydrophobicContact CB-CD2 4.29Å; F36-F300 HydrophobicContact CB-CE2 3.9Å; F36-F300 HydrophobicContact CD2-CD2 4.08Å; F36-F300 HydrophobicContact CD2-CE2 4.13Å; F36-F300 HydrophobicContact CG-CE2 4.21Å; F36-I413 HydrophobicContact CD2-CG2 4.26Å; F36-I413 HydrophobicContact CE2-CG2 4.1Å; F36-L414 HydrophobicContact CZ-CD2 4.29Å; F36-Q417 HydrophobicContact CD1-CB 3.81Å; F36-Q417 HydrophobicContact CD1-CG 3.63Å; F36-Q417 HydrophobicContact CD2-CG 4.21Å; F36-Q417 HydrophobicContact CE1-CB 3.54Å; F36-Q417 HydrophobicContact CE1-CG 3.8Å; F36-Q417 HydrophobicContact CE2-CG 4.34Å; F36-Q417 HydrophobicContact CG-CG 3.86Å; F36-Q417 HydrophobicContact CZ-CB 4.02Å; F36-Q417 HydrophobicContact CZ-CG 4.15Å; F36-F419 HydrophobicContact CE1-CB 3.84Å; F36-F419 HydrophobicContact CE1-CD1 4.25Å; F36-F419 HydrophobicContact CE1-CG 4.06Å; F36-F419 HydrophobicContact CZ-CB 4.03Å; F36-F419 AromaticContact CZ-CD1 3.99Å; F36-F419 HydrophobicContact CZ-CD1 3.99Å; F36-F419 HydrophobicContact CZ-CG 4.21Å
37	G	98.3	Very high	84	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.4	174.3	0	0	0	0	0	111.3	P74 R298 F300	G37-P74 WeakPolarHBondContact CA-O 3.45Å; G37-R298 PolarHBondContact N-O 3.34Å; G37-F300 PolarHBondContact O-N 2.78Å
38	L	98.7	Very high	86	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.4	-179.5	-51.1	-179.9	0	0	0	109.9	F36 F40 L63 V73 P74 V75 A76 F300 F302 I413	F36-L38 HydrophobicContact CD2-CD2 3.82Å; F36-L38 HydrophobicContact CD2-CG 4.4Å; F36-L38 HydrophobicContact CE2-CD2 3.89Å; F36-L38 HydrophobicContact CE2-CG 4.28Å; L38-F40 HydrophobicContact CB-CD2 4.29Å; L38-F40 HydrophobicContact CB-CE2 3.52Å; L38-F40 HydrophobicContact CB-CZ 4.12Å; L38-F40 HydrophobicContact CD1-CE2 4.14Å; L38-F40 HydrophobicContact CD1-CZ 4.13Å; L38-F40 HydrophobicContact CG-CE2 4.48Å; L38-L63 HydrophobicContact CD1-CD1 3.84Å; L38-L63 HydrophobicContact CD1-CD2 3.47Å; L38-L63 VanDerWaalsContact CD1-CD2 3.47Å; L38-L63 HydrophobicContact CD1-CG 4.32Å; L38-V73 HydrophobicContact CD1-CG1 3.98Å; L38-V73 HydrophobicContact CG-CG1 3.82Å; L38-P74 PolarHBondContact N-O 3.22Å; L38-V75 HydrophobicContact CB-CG2 4.29Å; L38-V75 CarbonylContact O-C 3.45Å; L38-V75 WeakPolarHBondContact O-CA 3.33Å; L38-A76 PolarHBondContact O-N 3.5Å; L38-F300 HydrophobicContact CD2-CB 3.86Å; L38-F300 HydrophobicContact CD2-CD2 3.96Å; L38-F300 HydrophobicContact CD2-CG 4.27Å; L38-F302 HydrophobicContact CD2-CE2 4.21Å; L38-I413 HydrophobicContact CD2-CG2 3.93Å
39	L	98.8	Very high	87.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.4	173.8	-60.8	176.1	0	0	0	107.9	A76 V78 A279 L283 F300 F301 F302 I365	L39-A76 VanDerWaalsContact CA-O 3.3Å; L39-A76 WeakPolarHBondContact CA-O 3.37Å; L39-A76 HydrophobicContact CD2-CB 3.76Å; L39-V78 HydrophobicContact CB-CG2 4.33Å; L39-V78 HydrophobicContact CD2-CG2 4.05Å; L39-A279 HydrophobicContact CD1-CB 3.74Å; L39-A279 HydrophobicContact CD2-CB 3.79Å; L39-A279 HydrophobicContact CG-CB 4.43Å; L39-L283 HydrophobicContact CD1-CD1 4.32Å; L39-L283 HydrophobicContact CD2-CD1 3.42Å; L39-L283 VanDerWaalsContact CD2-CD1 3.42Å; L39-L283 HydrophobicContact CD2-CD2 4.23Å; L39-L283 HydrophobicContact CD2-CG 3.78Å; L39-L283 HydrophobicContact CG-CD1 3.76Å; L39-F300 PolarHBondContact N-O 2.85Å; L39-F301 HydrophobicContact CB-CB 4.3Å; L39-F301 HydrophobicContact CB-CD2 3.42Å; L39-F301 VanDerWaalsContact CB-CD2 3.42Å; L39-F301 HydrophobicContact CB-CE2 3.91Å; L39-F301 HydrophobicContact CB-CG 4.04Å; L39-F301 HydrophobicContact CD1-CD2 3.74Å; L39-F301 HydrophobicContact CD1-CE2 4.37Å; L39-F301 HydrophobicContact CG-CD2 4.22Å; L39-F301 CarbonylContact O-C 3.58Å; L39-F301 WeakPolarHBondContact O-CA 3.34Å; L39-F302 PolarHBondContact O-N 3.22Å; L39-I365 HydrophobicContact CD1-CD1 4.27Å
40	F	98.5	Very high	89.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.1	177	-65.2	-94.1	0	0	0	110	L38 V45 L46 L63 V75 A76 L77 V78 F302 C406 V410	L38-F40 HydrophobicContact CB-CD2 4.29Å; L38-F40 HydrophobicContact CB-CE2 3.52Å; L38-F40 HydrophobicContact CB-CZ 4.12Å; L38-F40 HydrophobicContact CD1-CE2 4.14Å; L38-F40 HydrophobicContact CD1-CZ 4.13Å; L38-F40 HydrophobicContact CG-CE2 4.48Å; F40-V45 HydrophobicContact CD1-CG1 4.11Å; F40-L46 HydrophobicContact CB-CD1 3.84Å; F40-L46 HydrophobicContact CB-CD2 4.31Å; F40-L46 HydrophobicContact CB-CG 4.14Å; F40-L46 HydrophobicContact CD1-CD2 3.84Å; F40-L46 HydrophobicContact CE1-CD2 4.47Å; F40-L46 HydrophobicContact CG-CD1 4.39Å; F40-L46 HydrophobicContact CG-CD2 4.2Å; F40-L63 HydrophobicContact CE2-CD1 4.29Å; F40-L63 HydrophobicContact CZ-CD1 4.2Å; F40-V75 HydrophobicContact CD2-CG1 3.83Å; F40-V75 HydrophobicContact CE2-CG1 3.97Å; F40-V75 HydrophobicContact CE2-CG2 4.46Å; F40-A76 PolarHBondContact N-O 2.86Å; F40-L77 HydrophobicContact CB-CD2 4.02Å; F40-L77 HydrophobicContact CD2-CD2 4.38Å; F40-L77 CarbonylContact O-C 3.45Å; F40-L77 VanDerWaalsContact O-CA 3.3Å; F40-L77 WeakPolarHBondContact O-CA 3.41Å; F40-V78 PolarHBondContact O-N 2.92Å; F40-F302 HydrophobicContact CD1-CB 3.45Å; F40-F302 VanDerWaalsContact CD1-CB 3.45Å; F40-F302 HydrophobicContact CD1-CD1 4.16Å; F40-F302 AromaticContact CD1-CD2 3.89Å; F40-F302 HydrophobicContact CD1-CD2 3.89Å; F40-F302 AromaticContact CD1-CG 3.58Å; F40-F302 HydrophobicContact CD1-CG 3.58Å; F40-F302 HydrophobicContact CE1-CB 3.87Å; F40-F302 AromaticContact CE1-CD1 3.69Å; F40-F302 HydrophobicContact CE1-CD1 3.69Å; F40-F302 AromaticContact CE1-CD2 3.54Å; F40-F302 HydrophobicContact CE1-CD2 3.54Å; F40-F302 HydrophobicContact CE1-CE1 4.03Å; F40-F302 AromaticContact CE1-CE2 3.96Å; F40-F302 HydrophobicContact CE1-CE2 3.96Å; F40-F302 AromaticContact CE1-CG 3.42Å; F40-F302 HydrophobicContact CE1-CG 3.42Å; F40-F302 VanDerWaalsContact CE1-CG 3.42Å; F40-F302 HydrophobicContact CE1-CZ 4.18Å; F40-F302 HydrophobicContact CE2-CD2 4.5Å; F40-F302 HydrophobicContact CG-CB 4.19Å; F40-F302 HydrophobicContact CG-CD2 4.48Å; F40-F302 HydrophobicContact CG-CG 4.48Å; F40-F302 AromaticContact CZ-CD2 3.89Å; F40-F302 HydrophobicContact CZ-CD2 3.89Å; F40-F302 AromaticContact CZ-CE2 3.97Å; F40-F302 HydrophobicContact CZ-CE2 3.97Å; F40-F302 HydrophobicContact CZ-CG 4.24Å; F40-F302 HydrophobicContact CZ-CZ 4.33Å; F40-C406 HydrophobicContact CE1-CB 4.31Å; F40-V410 HydrophobicContact CE1-CG2 4.06Å; F40-V410 HydrophobicContact CZ-CG2 3.77Å
41	D	96.9	Very high	91.1	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	21%	0.207	C	C	.	.			trans	-61.6	159.2	152.9	-162.4	10	0	0	0	109.9	V45 L46 V78 K270 F301 F302	D41-V45 HydrophobicContact CB-CB 4.37Å; D41-V45 HydrophobicContact CB-CG2 3.78Å; D41-V45 WeakPolarHBondContact O-CB 3.4Å; D41-L46 WeakPolarHBondContact O-CG 3.46Å; D41-V78 WeakPolarHBondContact CA-O 3.35Å; D41-V78 VanDerWaalsContact OD1-O 3.14Å; D41-K270 IonicContact OD1-NZ 3.46Å; D41-K270 PolarHBondContact OD1-NZ 3.11Å; D41-K270 IonicContact OD2-NZ 3.28Å; D41-K270 PolarHBondContact OD2-NZ 2.82Å; D41-F301 HydrophobicContact CB-CE1 4.43Å; D41-F302 PolarHBondContact N-O 3.43Å
42	I	94.7	Very high	92.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-96.4	-61.7	-178.5	-59.8	179.9	0	0	0	109.8	G44 V45 L46 G47 L77 T79 M91 W95	I42-G44 PolarHBondContact O-N 2.81Å; I42-V45 PolarHBondContact O-N 3.18Å; I42-L46 PolarHBondContact O-N 3.28Å; I42-G47 PolarHBondContact O-N 2.75Å; I42-G47 VanDerWaalsContact O-N 3.1Å; I42-L77 HydrophobicContact CD1-CB 4.2Å; I42-L77 HydrophobicContact CG1-CB 4.15Å; I42-T79 HydrophobicContact CD1-CG2 3.86Å; I42-M91 HydrophobicContact CG2-CE 4.26Å; I42-W95 HydrophobicContact CG2-CH2 4.26Å; I42-W95 HydrophobicContact CG2-CZ3 4.02Å
43	D	90.1	Very high	93.6	Very high	61 Å²	61	33 Å²	33	33%	0.326	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-76.4	125.2	-171.9	-64.3	-70.7	0	0	0	109.1	V45 K88	D43-V45 PolarHBondContact O-N 2.97Å; D43-K88 IonicContact OD2-NZ 2.69Å
44	G	89.2	Confident	93.8	Very high	7 Å²	7	35.9 Å²	35.9	7%	0.072	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-13	-176.7	0	0	0	0	0	115.1	I42 G47 T372	I42-G44 PolarHBondContact O-N 2.81Å; G44-G47 PolarHBondContact N-O 3.43Å; G44-T372 CarbonylContact O-C 3.57Å; G44-T372 VanDerWaalsContact O-CB 3.26Å; G44-T372 WeakPolarHBondContact O-CB 3.2Å; G44-T372 PolarHBondContact O-OG1 2.76Å
45	V	95.8	Very high	94	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-47.6	178.2	178.8	0	0	0	0	112.6	F40 D41 I42 D43 F302 D304 V370 C406	F40-V45 HydrophobicContact CD1-CG1 4.11Å; D41-V45 HydrophobicContact CB-CB 4.37Å; D41-V45 HydrophobicContact CB-CG2 3.78Å; D41-V45 WeakPolarHBondContact O-CB 3.4Å; I42-V45 PolarHBondContact O-N 3.18Å; D43-V45 PolarHBondContact O-N 2.97Å; V45-F302 HydrophobicContact CG1-CB 3.93Å; V45-D304 HydrophobicContact CG2-CB 4.02Å; V45-V370 HydrophobicContact CB-CG2 4.4Å; V45-V370 HydrophobicContact CG2-CG2 3.77Å; V45-C406 HydrophobicContact CG1-CB 4.1Å; V45-C406 PolarHBondContact O-SG 3.37Å
46	L	96.6	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-32.3	-178.5	-62.9	-176.3	0	0	0	112.8	F40 D41 I42 L53 A56 F60 L77 W95 F96	F40-L46 HydrophobicContact CB-CD1 3.84Å; F40-L46 HydrophobicContact CB-CD2 4.31Å; F40-L46 HydrophobicContact CB-CG 4.14Å; F40-L46 HydrophobicContact CD1-CD2 3.84Å; F40-L46 HydrophobicContact CE1-CD2 4.47Å; F40-L46 HydrophobicContact CG-CD1 4.39Å; F40-L46 HydrophobicContact CG-CD2 4.2Å; D41-L46 WeakPolarHBondContact O-CG 3.46Å; I42-L46 PolarHBondContact O-N 3.28Å; L46-L53 PolarHBondContact O-N 2.63Å; L46-A56 HydrophobicContact CB-CB 4.34Å; L46-A56 HydrophobicContact CD2-CB 3.94Å; L46-A56 VanDerWaalsContact O-CB 3.29Å; L46-A56 WeakPolarHBondContact O-CB 3.45Å; L46-F60 HydrophobicContact CD1-CE2 4.17Å; L46-F60 HydrophobicContact CD1-CZ 4.28Å; L46-F60 HydrophobicContact CD2-CD2 4.44Å; L46-F60 HydrophobicContact CD2-CE2 3.64Å; L46-L77 HydrophobicContact CD1-CD2 3.66Å; L46-W95 HydrophobicContact CB-CZ3 4.27Å; L46-F96 HydrophobicContact CB-CZ 4.23Å; L46-F96 HydrophobicContact CD1-CE2 4.19Å; L46-F96 HydrophobicContact CD1-CZ 4.22Å; L46-F96 HydrophobicContact CD2-CZ 4.18Å; L46-F96 HydrophobicContact CG-CZ 4.44Å
47	G	92.1	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	177.1	-177.5	0	0	0	0	0	112.8	I42 G44 E51	I42-G47 PolarHBondContact O-N 2.75Å; I42-G47 VanDerWaalsContact O-N 3.1Å; G44-G47 PolarHBondContact N-O 3.43Å; G47-E51 CarbonylContact C-O 3.33Å; G47-E51 WeakPolarHBondContact CA-O 3.28Å
48	R	85.7	Confident	93.9	Very high	157 Å²	157	43.3 Å²	43.3	59%	0.592	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	108	171.6	-66.7	-176.4	-178.1	179.6	1.5	108.6	L50 E51 L53 T372	R48-L50 PolarHBondContact O-N 2.85Å; R48-E51 PolarHBondContact N-O 2.63Å; R48-E51 PolarHBondContact O-N 2.97Å; R48-L53 HydrophobicContact CG-CD2 4.48Å; R48-T372 PolarHBondContact NE-O 2.93Å; R48-T372 PolarHBondContact NH2-O 3.14Å
49	G	82.7	Confident	93.8	Very high	46 Å²	46	43.3 Å²	43.3	47%	0.474	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	-117	-173.8	0	0	0	0	0	111.1	W95	G49-W95 WeakPolarHBondContact O-CZ2 3.48Å
50	L	86.5	Confident	93.7	Very high	140 Å²	140	43.4 Å²	43.4	73%	0.733	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-7	-179.2	-60.2	179	0	0	0	113.6	R48 M91 W95	R48-L50 PolarHBondContact O-N 2.85Å; L50-M91 HydrophobicContact CD2-SD 4.23Å; L50-W95 PolarHBondContact O-NE1 2.94Å
51	E	91.1	Very high	93.5	Very high	144 Å²	144	47.1 Å²	47.1	67%	0.673	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.3	-175.8	-62.6	-61.7	153.4	0	0	110.8	G47 R48	G47-E51 CarbonylContact C-O 3.33Å; G47-E51 WeakPolarHBondContact CA-O 3.28Å; R48-E51 PolarHBondContact N-O 2.63Å; R48-E51 PolarHBondContact O-N 2.97Å
52	V	95.6	Very high	93.4	Very high	40 Å²	40	48.4 Å²	48.4	24%	0.242	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	143.1	173.2	66.6	0	0	0	0	110.2	A56 A57 W95 F96	V52-A56 HydrophobicContact CG2-CB 4.24Å; V52-A57 HydrophobicContact CG2-CB 4.4Å; V52-W95 HydrophobicContact CB-CB 3.96Å; V52-W95 HydrophobicContact CB-CD2 3.79Å; V52-W95 HydrophobicContact CB-CE3 4.33Å; V52-W95 HydrophobicContact CB-CG 3.63Å; V52-W95 HydrophobicContact CG2-CB 3.88Å; V52-W95 HydrophobicContact CG2-CD2 4.1Å; V52-W95 HydrophobicContact CG2-CE3 4.22Å; V52-W95 HydrophobicContact CG2-CG 3.99Å; V52-F96 HydrophobicContact CG2-CD1 4.44Å; V52-F96 HydrophobicContact CG2-CE1 3.7Å; V52-F96 HydrophobicContact CG2-CZ 4.31Å
53	L	95.3	Very high	93.5	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.136	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-71.5	132	168.2	-65.8	179.7	0	0	0	109.1	L46 R48 Q55 A56 A57 T372	L46-L53 PolarHBondContact O-N 2.63Å; R48-L53 HydrophobicContact CG-CD2 4.48Å; L53-Q55 PolarHBondContact O-N 3.19Å; L53-Q55 VanDerWaalsContact O-N 3.13Å; L53-A56 HydrophobicContact CB-CB 4.11Å; L53-A56 WeakPolarHBondContact O-CB 3.36Å; L53-A56 PolarHBondContact O-N 2.89Å; L53-A57 PolarHBondContact O-N 3.35Å; L53-T372 HydrophobicContact CD1-CG2 4.24Å
54	P	96.7	Very high	93.6	Very high	94 Å²	94	45.6 Å²	45.6	61%	0.61	24%	0.24	S	C	*	.	H	α-helix	trans	-52.6	-38.8	179.9	-28.5	35.2	0	0	0	113.4	A57 E58	P54-A57 WeakPolarHBondContact O-CB 3.49Å; P54-A57 PolarHBondContact O-N 3.36Å; P54-E58 PolarHBondContact O-N 3.2Å; P54-E58 VanDerWaalsContact O-N 3.13Å
55	Q	97.4	Very high	93.6	Very high	69 Å²	69	46.7 Å²	46.7	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-68.4	-34.9	178.6	-60	96.3	-35.5	0	0	112.3	L53 A57 E58 A59 D405 L407	L53-Q55 PolarHBondContact O-N 3.19Å; L53-Q55 VanDerWaalsContact O-N 3.13Å; Q55-A57 VanDerWaalsContact C-N 3.33Å; Q55-A57 PolarHBondContact O-N 3.03Å; Q55-E58 PolarHBondContact O-N 3.19Å; Q55-A59 VanDerWaalsContact O-CB 3.32Å; Q55-A59 WeakPolarHBondContact O-CB 3.49Å; Q55-A59 PolarHBondContact O-N 3.16Å; Q55-D405 HydrophobicContact CB-CB 4.26Å; Q55-D405 VanDerWaalsContact CG-OD2 3.27Å; Q55-D405 WeakPolarHBondContact CG-OD2 3.46Å; Q55-L407 HydrophobicContact CB-CB 3.9Å
56	A	97.6	Very high	93.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-40.7	173.1	0	0	0	0	0	111.6	L46 V52 L53 E58 A59 F60 F96 C406	L46-A56 HydrophobicContact CB-CB 4.34Å; L46-A56 HydrophobicContact CD2-CB 3.94Å; L46-A56 VanDerWaalsContact O-CB 3.29Å; L46-A56 WeakPolarHBondContact O-CB 3.45Å; V52-A56 HydrophobicContact CG2-CB 4.24Å; L53-A56 HydrophobicContact CB-CB 4.11Å; L53-A56 WeakPolarHBondContact O-CB 3.36Å; L53-A56 PolarHBondContact O-N 2.89Å; A56-E58 VanDerWaalsContact C-N 3.34Å; A56-E58 PolarHBondContact O-N 3.11Å; A56-A59 PolarHBondContact O-N 2.91Å; A56-F60 WeakPolarHBondContact O-CD2 3.47Å; A56-F60 PolarHBondContact O-N 3.16Å; A56-F96 HydrophobicContact CB-CE1 4.03Å; A56-F96 HydrophobicContact CB-CZ 4.23Å; A56-C406 WeakPolarHBondContact CA-SG 3.39Å
57	A	96	Very high	92.5	Very high	22 Å²	22	55.4 Å²	55.4	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-40.2	175.6	0	0	0	0	0	112.1	V52 L53 P54 Q55 K61	V52-A57 HydrophobicContact CG2-CB 4.4Å; L53-A57 PolarHBondContact O-N 3.35Å; P54-A57 WeakPolarHBondContact O-CB 3.49Å; P54-A57 PolarHBondContact O-N 3.36Å; Q55-A57 VanDerWaalsContact C-N 3.33Å; Q55-A57 PolarHBondContact O-N 3.03Å; A57-K61 WeakPolarHBondContact O-CG 3.44Å; A57-K61 PolarHBondContact O-N 3.3Å
58	E	96	Very high	92.1	Very high	90 Å²	90	60.9 Å²	60.9	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-68.7	-38.8	173.3	-65.7	-52.9	138.7	0	0	112.5	P54 Q55 A56 F60 K61 L62 L407	P54-E58 PolarHBondContact O-N 3.2Å; P54-E58 VanDerWaalsContact O-N 3.13Å; Q55-E58 PolarHBondContact O-N 3.19Å; A56-E58 VanDerWaalsContact C-N 3.34Å; A56-E58 PolarHBondContact O-N 3.11Å; E58-F60 PolarHBondContact O-N 3.05Å; E58-K61 VanDerWaalsContact CD-NZ 3.32Å; E58-K61 WeakPolarHBondContact O-CB 3.4Å; E58-K61 PolarHBondContact O-N 3.36Å; E58-K61 IonicContact OE1-NZ 3.92Å; E58-K61 PolarHBondContact OE1-NZ 2.9Å; E58-K61 WeakPolarHBondContact OE2-CD 3.47Å; E58-K61 IonicContact OE2-NZ 2.83Å; E58-K61 PolarHBondContact OE2-NZ 2.66Å; E58-L62 PolarHBondContact O-N 3.5Å; E58-L407 HydrophobicContact CB-CD1 4.07Å; E58-L407 HydrophobicContact CB-CD2 3.98Å
59	A	97	Very high	92.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-45.8	179.5	0	0	0	0	0	111.3	Q55 A56 K61 L62 L63 L407 V410	Q55-A59 VanDerWaalsContact O-CB 3.32Å; Q55-A59 WeakPolarHBondContact O-CB 3.49Å; Q55-A59 PolarHBondContact O-N 3.16Å; A56-A59 PolarHBondContact O-N 2.91Å; A59-K61 VanDerWaalsContact C-N 3.29Å; A59-K61 PolarHBondContact O-N 3.3Å; A59-L62 WeakPolarHBondContact O-CB 3.4Å; A59-L62 PolarHBondContact O-N 3.42Å; A59-L63 PolarHBondContact O-N 3.49Å; A59-L407 HydrophobicContact CB-CB 4.2Å; A59-L407 HydrophobicContact CB-CD1 4.14Å; A59-V410 HydrophobicContact CB-CB 4.25Å; A59-V410 HydrophobicContact CB-CG2 4.11Å
60	F	96.1	Very high	92.4	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-32.1	178.4	-90.2	-103.7	0	0	0	112.6	L46 A56 E58 L62 L63 C64 L71 V75 L77 F96 I98	L46-F60 HydrophobicContact CD1-CE2 4.17Å; L46-F60 HydrophobicContact CD1-CZ 4.28Å; L46-F60 HydrophobicContact CD2-CD2 4.44Å; L46-F60 HydrophobicContact CD2-CE2 3.64Å; A56-F60 WeakPolarHBondContact O-CD2 3.47Å; A56-F60 PolarHBondContact O-N 3.16Å; E58-F60 PolarHBondContact O-N 3.05Å; F60-L62 PolarHBondContact O-N 2.97Å; F60-L63 PolarHBondContact O-N 3.46Å; F60-L63 VanDerWaalsContact O-N 3.09Å; F60-C64 PolarHBondContact O-N 3.49Å; F60-C64 PolarHBondContact O-SG 2.84Å; F60-L71 HydrophobicContact CD1-CD2 4.18Å; F60-L71 HydrophobicContact CE1-CD2 4.42Å; F60-V75 HydrophobicContact CE1-CG1 4.34Å; F60-V75 HydrophobicContact CZ-CG1 4.2Å; F60-L77 HydrophobicContact CZ-CD2 4.21Å; F60-F96 HydrophobicContact CB-CB 4.09Å; F60-F96 HydrophobicContact CB-CD1 3.69Å; F60-F96 HydrophobicContact CB-CD2 4.4Å; F60-F96 HydrophobicContact CB-CE1 4.23Å; F60-F96 HydrophobicContact CB-CG 3.8Å; F60-F96 HydrophobicContact CD1-CB 4.06Å; F60-F96 HydrophobicContact CD1-CD1 4.27Å; F60-F96 AromaticContact CD1-CD2 3.43Å; F60-F96 HydrophobicContact CD1-CD2 3.43Å; F60-F96 VanDerWaalsContact CD1-CD2 3.43Å; F60-F96 AromaticContact CD1-CE2 3.87Å; F60-F96 HydrophobicContact CD1-CE2 3.87Å; F60-F96 AromaticContact CD1-CG 3.66Å; F60-F96 HydrophobicContact CD1-CG 3.66Å; F60-F96 HydrophobicContact CD1-CZ 4.48Å; F60-F96 AromaticContact CD2-CD1 3.91Å; F60-F96 HydrophobicContact CD2-CD1 3.91Å; F60-F96 AromaticContact CD2-CD2 3.95Å; F60-F96 HydrophobicContact CD2-CD2 3.95Å; F60-F96 AromaticContact CD2-CE1 3.63Å; F60-F96 HydrophobicContact CD2-CE1 3.63Å; F60-F96 AromaticContact CD2-CE2 3.63Å; F60-F96 HydrophobicContact CD2-CE2 3.63Å; F60-F96 HydrophobicContact CD2-CG 4.08Å; F60-F96 AromaticContact CD2-CZ 3.48Å; F60-F96 HydrophobicContact CD2-CZ 3.48Å; F60-F96 VanDerWaalsContact CD2-CZ 3.48Å; F60-F96 AromaticContact CE1-CD2 3.55Å; F60-F96 HydrophobicContact CE1-CD2 3.55Å; F60-F96 AromaticContact CE1-CE2 3.68Å; F60-F96 HydrophobicContact CE1-CE2 3.68Å; F60-F96 HydrophobicContact CE1-CG 4.26Å; F60-F96 HydrophobicContact CE2-CD2 4.07Å; F60-F96 HydrophobicContact CE2-CE1 4.18Å; F60-F96 AromaticContact CE2-CE2 3.45Å; F60-F96 HydrophobicContact CE2-CE2 3.45Å; F60-F96 VanDerWaalsContact CE2-CE2 3.45Å; F60-F96 AromaticContact CE2-CZ 3.53Å; F60-F96 HydrophobicContact CE2-CZ 3.53Å; F60-F96 HydrophobicContact CG-CB 4.18Å; F60-F96 AromaticContact CG-CD1 3.67Å; F60-F96 HydrophobicContact CG-CD1 3.67Å; F60-F96 AromaticContact CG-CD2 3.63Å; F60-F96 HydrophobicContact CG-CD2 3.63Å; F60-F96 AromaticContact CG-CE1 3.91Å; F60-F96 HydrophobicContact CG-CE1 3.91Å; F60-F96 AromaticContact CG-CE2 3.84Å; F60-F96 HydrophobicContact CG-CE2 3.84Å; F60-F96 AromaticContact CG-CG 3.54Å; F60-F96 HydrophobicContact CG-CG 3.54Å; F60-F96 AromaticContact CG-CZ 3.99Å; F60-F96 HydrophobicContact CG-CZ 3.99Å; F60-F96 AromaticContact CZ-CD2 3.87Å; F60-F96 HydrophobicContact CZ-CD2 3.87Å; F60-F96 AromaticContact CZ-CE2 3.47Å; F60-F96 HydrophobicContact CZ-CE2 3.47Å; F60-F96 VanDerWaalsContact CZ-CE2 3.47Å; F60-F96 HydrophobicContact CZ-CZ 4.06Å; F60-I98 HydrophobicContact CD1-CD1 3.83Å; F60-I98 HydrophobicContact CE1-CD1 4.26Å
61	K	94.4	Very high	92.8	Very high	79 Å²	79	58.4 Å²	58.4	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-31.9	172.1	-66.5	170.2	-167.6	171	0	112.7	A57 E58 A59 L63 K68	A57-K61 WeakPolarHBondContact O-CG 3.44Å; A57-K61 PolarHBondContact O-N 3.3Å; E58-K61 VanDerWaalsContact CD-NZ 3.32Å; E58-K61 WeakPolarHBondContact O-CB 3.4Å; E58-K61 PolarHBondContact O-N 3.36Å; E58-K61 IonicContact OE1-NZ 3.92Å; E58-K61 PolarHBondContact OE1-NZ 2.9Å; E58-K61 WeakPolarHBondContact OE2-CD 3.47Å; E58-K61 IonicContact OE2-NZ 2.83Å; E58-K61 PolarHBondContact OE2-NZ 2.66Å; A59-K61 VanDerWaalsContact C-N 3.29Å; A59-K61 PolarHBondContact O-N 3.3Å; K61-L63 VanDerWaalsContact C-N 3.32Å; K61-K68 HydrophobicContact CB-CD 4.37Å; K61-K68 HydrophobicContact CG-CD 4.21Å
62	L	95	Very high	93	Very high	40 Å²	40	54.1 Å²	54.1	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-76.1	-20.8	176.9	-59.2	179.6	0	0	0	113.1	E58 A59 F60 L407 V410 Q411 L414 P421	E58-L62 PolarHBondContact O-N 3.5Å; A59-L62 WeakPolarHBondContact O-CB 3.4Å; A59-L62 PolarHBondContact O-N 3.42Å; F60-L62 PolarHBondContact O-N 2.97Å; L62-L407 HydrophobicContact CD1-CD1 3.66Å; L62-V410 HydrophobicContact CB-CG1 4.31Å; L62-V410 HydrophobicContact CD1-CG1 4.48Å; L62-Q411 HydrophobicContact CD1-CG 3.69Å; L62-L414 HydrophobicContact CB-CD1 3.97Å; L62-P421 WeakPolarHBondContact O-CD 3.2Å; L62-P421 WeakPolarHBondContact O-CG 3.39Å
63	L	95.7	Very high	93	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-88.6	-16.5	178.7	-61.6	178.3	0	0	0	112.8	L38 F40 A59 F60 K61 L71 R72 V73 V75 V410 L414	L38-L63 HydrophobicContact CD1-CD1 3.84Å; L38-L63 HydrophobicContact CD1-CD2 3.47Å; L38-L63 VanDerWaalsContact CD1-CD2 3.47Å; L38-L63 HydrophobicContact CD1-CG 4.32Å; F40-L63 HydrophobicContact CE2-CD1 4.29Å; F40-L63 HydrophobicContact CZ-CD1 4.2Å; A59-L63 PolarHBondContact O-N 3.49Å; F60-L63 PolarHBondContact O-N 3.46Å; F60-L63 VanDerWaalsContact O-N 3.09Å; K61-L63 VanDerWaalsContact C-N 3.32Å; L63-L71 HydrophobicContact CB-CD2 3.93Å; L63-R72 PolarHBondContact O-N 3.07Å; L63-V73 HydrophobicContact CD2-CB 4.43Å; L63-V73 HydrophobicContact CD2-CG2 4.17Å; L63-V75 HydrophobicContact CD1-CG2 4.13Å; L63-V410 HydrophobicContact CD1-CG2 4.35Å; L63-V410 HydrophobicContact CD2-CG1 3.76Å; L63-V410 HydrophobicContact CG-CG1 4.08Å; L63-L414 HydrophobicContact CD2-CD1 4.35Å; L63-L414 HydrophobicContact CD2-CD2 4.12Å; L63-L414 HydrophobicContact CD2-CG 4.5Å
64	C	93.5	Very high	93.1	Very high	2 Å²	2	51 Å²	51	1%	0.014	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-86.1	166	179.7	-63.4	0	0	0	0	112.8	F60 K68 E70 P421	F60-C64 PolarHBondContact O-N 3.49Å; F60-C64 PolarHBondContact O-SG 2.84Å; C64-K68 HydrophobicContact CB-CB 4.47Å; C64-E70 CarbonylContact C-O 3.13Å; C64-E70 WeakPolarHBondContact CA-O 3.47Å; C64-E70 WeakPolarHBondContact CB-O 3.38Å; C64-P421 WeakPolarHBondContact O-CB 3.44Å
65	D	89.5	Confident	93.1	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.16	23%	0.226	C	C	.	.			trans	-58.9	165.4	165	71.5	-31.5	0	0	0	112.3	D67 K68 K69 E70 R72	D65-D67 PolarHBondContact O-N 3.43Å; D65-D67 VanDerWaalsContact O-N 3.14Å; D65-K68 WeakPolarHBondContact O-CA 3.49Å; D65-K68 PolarHBondContact O-N 3.12Å; D65-K68 WeakPolarHBondContact OD1-CA 3.47Å; D65-K68 PolarHBondContact OD1-N 3.17Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K69 PolarHBondContact OD1-N 2.76Å; D65-E70 PolarHBondContact N-O 2.9Å; D65-E70 PolarHBondContact OD1-N 3.33Å; D65-R72 HydrophobicContact CB-CG 3.98Å
66	P	83.6	Confident	93.2	Very high	68 Å²	68	43.3 Å²	43.3	44%	0.442	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.5	-179.9	-28.8	36.7	0	0	0	114.7	K68	P66-K68 PolarHBondContact O-N 3.45Å
67	D	85	Confident	93.2	Very high	114 Å²	114	43.3 Å²	43.3	61%	0.61	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.8	175.2	-76.7	-7.6	0	0	0	113.3	D65 K69	D65-D67 PolarHBondContact O-N 3.43Å; D65-D67 VanDerWaalsContact O-N 3.14Å; D67-K69 VanDerWaalsContact C-N 3.32Å; D67-K69 HydrophobicContact CB-CD 4.21Å; D67-K69 HydrophobicContact CB-CG 4.28Å; D67-K69 PolarHBondContact O-N 2.76Å
68	K	83.8	Confident	93.3	Very high	115 Å²	115	42.3 Å²	42.3	50%	0.5	20%	0.203	S	C	.	.	S	Bend	trans	61.2	35.4	177.9	-56	172.3	-176.8	174.9	0	113.6	K61 C64 D65 P66	K61-K68 HydrophobicContact CB-CD 4.37Å; K61-K68 HydrophobicContact CG-CD 4.21Å; C64-K68 HydrophobicContact CB-CB 4.47Å; D65-K68 WeakPolarHBondContact O-CA 3.49Å; D65-K68 PolarHBondContact O-N 3.12Å; D65-K68 WeakPolarHBondContact OD1-CA 3.47Å; D65-K68 PolarHBondContact OD1-N 3.17Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; P66-K68 PolarHBondContact O-N 3.45Å
69	K	84.9	Confident	93.2	Very high	134 Å²	134	38.3 Å²	38.3	58%	0.583	19%	0.185	S	C	*	.	S	Bend	trans	-106.9	-33.4	-177.6	-69.4	177.3	-175.5	162.5	0	112.8	D65 D67 I98	D65-K69 PolarHBondContact OD1-N 2.76Å; D67-K69 VanDerWaalsContact C-N 3.32Å; D67-K69 HydrophobicContact CB-CD 4.21Å; D67-K69 HydrophobicContact CB-CG 4.28Å; D67-K69 PolarHBondContact O-N 2.76Å; K69-I98 WeakPolarHBondContact O-CG2 3.49Å
70	E	90.4	Very high	93	Very high	138 Å²	138	38.8 Å²	38.8	65%	0.645	19%	0.187	S	C	*	.	S	Bend	trans	-132.8	140.1	-173.5	-64.3	-173	174.9	0	0	110.9	C64 D65	C64-E70 CarbonylContact C-O 3.13Å; C64-E70 WeakPolarHBondContact CA-O 3.47Å; C64-E70 WeakPolarHBondContact CB-O 3.38Å; D65-E70 PolarHBondContact N-O 2.9Å; D65-E70 PolarHBondContact OD1-N 3.33Å
71	L	94.6	Very high	92.5	Very high	20 Å²	20	40 Å²	40	11%	0.105	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-65	139.2	173.1	-70.8	167.3	0	0	0	109.7	F60 L63 V75 I98 I100 M290	F60-L71 HydrophobicContact CD1-CD2 4.18Å; F60-L71 HydrophobicContact CE1-CD2 4.42Å; L63-L71 HydrophobicContact CB-CD2 3.93Å; L71-V75 HydrophobicContact CD1-CB 4.03Å; L71-V75 HydrophobicContact CD1-CG2 4.22Å; L71-V75 HydrophobicContact CD2-CG2 4.22Å; L71-I98 HydrophobicContact CD1-CD1 3.87Å; L71-I98 HydrophobicContact CD2-CD1 3.77Å; L71-I98 HydrophobicContact CG-CD1 3.64Å; L71-I100 HydrophobicContact CD1-CD1 4.15Å; L71-M290 WeakPolarHBondContact O-CE 3.32Å
72	R	94.8	Very high	92	Very high	54 Å²	54	38 Å²	38	20%	0.204	20%	0.196	C	C	.	.	S	Bend	trans	-104	-11.3	171	-69.8	-65.9	-56.6	-77.5	-3.8	112.8	L63 D65 Y292 F419 P421	L63-R72 PolarHBondContact O-N 3.07Å; D65-R72 HydrophobicContact CB-CG 3.98Å; R72-Y292 PolarHBondContact NE-OH 3.49Å; R72-Y292 WeakPolarHBondContact O-CE2 3.36Å; R72-Y292 PolarHBondContact O-OH 3.38Å; R72-F419 HydrophobicContact CB-CE1 4.43Å; R72-P421 HydrophobicContact CB-CB 3.83Å; R72-P421 HydrophobicContact CB-CG 4.05Å; R72-P421 HydrophobicContact CG-CB 4.15Å
73	V	95.4	Very high	91.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-111.1	136.2	173.1	-176.1	0	0	0	0	108.9	F36 L38 L63 V75 L414 F419 P421	F36-V73 HydrophobicContact CD2-CG1 4.11Å; F36-V73 HydrophobicContact CE2-CG1 3.56Å; F36-V73 HydrophobicContact CE2-CG2 4.31Å; F36-V73 HydrophobicContact CZ-CG1 4.06Å; F36-V73 HydrophobicContact CZ-CG2 4.1Å; L38-V73 HydrophobicContact CD1-CG1 3.98Å; L38-V73 HydrophobicContact CG-CG1 3.82Å; L63-V73 HydrophobicContact CD2-CB 4.43Å; L63-V73 HydrophobicContact CD2-CG2 4.17Å; V73-V75 PolarHBondContact O-N 3.33Å; V73-L414 HydrophobicContact CG2-CD2 4.4Å; V73-F419 HydrophobicContact CG2-CD1 3.75Å; V73-F419 HydrophobicContact CG2-CE1 3.53Å; V73-P421 HydrophobicContact CG2-CG 4.25Å
74	P	97.3	Very high	90.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.			trans	-60.9	119.4	170.7	-25.2	36.5	0	0	0	110.8	G37 L38 L283 T286 M290 Y292 I296	G37-P74 WeakPolarHBondContact CA-O 3.45Å; L38-P74 PolarHBondContact N-O 3.22Å; P74-L283 HydrophobicContact CB-CD2 4.04Å; P74-L283 WeakPolarHBondContact O-CD2 3.35Å; P74-T286 HydrophobicContact CB-CG2 4.41Å; P74-M290 HydrophobicContact CB-SD 4.34Å; P74-M290 HydrophobicContact CG-SD 3.97Å; P74-Y292 HydrophobicContact CG-CD2 4.3Å; P74-Y292 HydrophobicContact CG-CE2 4.41Å; P74-I296 HydrophobicContact CB-CD1 4.47Å; P74-I296 HydrophobicContact CG-CD1 3.99Å
75	V	98.1	Very high	90.6	Very high	1 Å²	1	43 Å²	43	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.8	179.9	176	0	0	0	0	109.7	L38 F40 F60 L63 L71 V73 L77 Q104	L38-V75 HydrophobicContact CB-CG2 4.29Å; L38-V75 CarbonylContact O-C 3.45Å; L38-V75 WeakPolarHBondContact O-CA 3.33Å; F40-V75 HydrophobicContact CD2-CG1 3.83Å; F40-V75 HydrophobicContact CE2-CG1 3.97Å; F40-V75 HydrophobicContact CE2-CG2 4.46Å; F60-V75 HydrophobicContact CE1-CG1 4.34Å; F60-V75 HydrophobicContact CZ-CG1 4.2Å; L63-V75 HydrophobicContact CD1-CG2 4.13Å; L71-V75 HydrophobicContact CD1-CB 4.03Å; L71-V75 HydrophobicContact CD1-CG2 4.22Å; L71-V75 HydrophobicContact CD2-CG2 4.22Å; V73-V75 PolarHBondContact O-N 3.33Å; V75-L77 HydrophobicContact CG1-CD2 4Å; V75-Q104 PolarHBondContact O-NE2 2.83Å
76	A	98.2	Very high	90.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.9	163.1	0	0	0	0	0	110.7	L38 L39 F40 Q104 I106 I282 L283	L38-A76 PolarHBondContact O-N 3.5Å; L39-A76 VanDerWaalsContact CA-O 3.3Å; L39-A76 WeakPolarHBondContact CA-O 3.37Å; L39-A76 HydrophobicContact CD2-CB 3.76Å; F40-A76 PolarHBondContact N-O 2.86Å; A76-Q104 CarbonylContact C-O 3.53Å; A76-Q104 WeakPolarHBondContact CA-O 3.37Å; A76-I106 HydrophobicContact CB-CD1 4.13Å; A76-I282 HydrophobicContact CB-CG2 3.92Å; A76-L283 HydrophobicContact CB-CD2 4.02Å; A76-L283 HydrophobicContact CB-CG 4.28Å
77	L	97.9	Very high	91.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.9	-174.2	-50	179.4	0	0	0	107.9	F40 I42 L46 F60 V75 V92 Q104 V105 I106	F40-L77 HydrophobicContact CB-CD2 4.02Å; F40-L77 HydrophobicContact CD2-CD2 4.38Å; F40-L77 CarbonylContact O-C 3.45Å; F40-L77 VanDerWaalsContact O-CA 3.3Å; F40-L77 WeakPolarHBondContact O-CA 3.41Å; I42-L77 HydrophobicContact CD1-CB 4.2Å; I42-L77 HydrophobicContact CG1-CB 4.15Å; L46-L77 HydrophobicContact CD1-CD2 3.66Å; F60-L77 HydrophobicContact CZ-CD2 4.21Å; V75-L77 HydrophobicContact CG1-CD2 4Å; L77-V92 HydrophobicContact CD1-CB 3.97Å; L77-V92 HydrophobicContact CD1-CG1 3.45Å; L77-V92 VanDerWaalsContact CD1-CG1 3.45Å; L77-V92 HydrophobicContact CD1-CG2 3.92Å; L77-Q104 PolarHBondContact N-O 3.45Å; L77-V105 HydrophobicContact CD1-CG2 4.21Å; L77-I106 WeakPolarHBondContact O-CA 3.13Å; L77-I106 WeakPolarHBondContact O-CB 3.38Å; L77-I106 PolarHBondContact O-N 3.03Å
78	V	97.7	Very high	91.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	105.3	-168.2	-168.9	0	0	0	0	110.6	L39 F40 D41 I106 K270 T275 A279 F301	L39-V78 HydrophobicContact CB-CG2 4.33Å; L39-V78 HydrophobicContact CD2-CG2 4.05Å; F40-V78 PolarHBondContact O-N 2.92Å; D41-V78 WeakPolarHBondContact CA-O 3.35Å; D41-V78 VanDerWaalsContact OD1-O 3.14Å; V78-I106 HydrophobicContact CG1-CB 4.5Å; V78-I106 HydrophobicContact CG1-CG2 4.34Å; V78-I106 HydrophobicContact CG2-CB 4.39Å; V78-I106 HydrophobicContact CG2-CD1 4.21Å; V78-K270 HydrophobicContact CG1-CD 4.01Å; V78-K270 HydrophobicContact CG1-CG 4.12Å; V78-K270 PolarHBondContact O-NZ 3.09Å; V78-K270 VanDerWaalsContact O-NZ 3.17Å; V78-T275 HydrophobicContact CG1-CG2 3.92Å; V78-A279 HydrophobicContact CG2-CB 4.09Å; V78-F301 HydrophobicContact CB-CE2 3.84Å; V78-F301 HydrophobicContact CB-CZ 3.97Å; V78-F301 HydrophobicContact CG1-CE2 4.18Å; V78-F301 HydrophobicContact CG1-CZ 4.4Å; V78-F301 HydrophobicContact CG2-CE2 3.97Å
79	T	94	Very high	91.9	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.043	21%	0.213	C	C	.	.			trans	-121.6	145.5	-179.8	-179.6	0	0	0	0	111.4	I42 G81 I106 L107 A108	I42-T79 HydrophobicContact CD1-CG2 3.86Å; T79-G81 PolarHBondContact O-N 3.35Å; T79-G81 PolarHBondContact OG1-N 2.86Å; T79-I106 PolarHBondContact N-O 2.93Å; T79-L107 HydrophobicContact CG2-CD2 3.5Å; T79-L107 VanDerWaalsContact CG2-CD2 3.5Å; T79-L107 CarbonylContact O-C 3.57Å; T79-A108 PolarHBondContact O-N 3.21Å; T79-A108 VanDerWaalsContact O-N 3.15Å
80	N	92.1	Very high	92.4	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.053	21%	0.213	C	C	.	.	S	Bend	trans	-77.2	-0.4	171.5	-82.5	5.5	0	0	0	113.2	A108 N227 D229 G269 K270	N80-A108 WeakPolarHBondContact O-CB 3.33Å; N80-N227 PolarHBondContact O-ND2 2.71Å; N80-D229 WeakPolarHBondContact CB-OD2 3.49Å; N80-D229 PolarHBondContact ND2-OD1 3.32Å; N80-D229 VanDerWaalsContact ND2-OD1 3.15Å; N80-D229 PolarHBondContact ND2-OD2 3.04Å; N80-G269 WeakPolarHBondContact OD1-CA 3.46Å; N80-K270 PolarHBondContact ND2-O 3.06Å; N80-K270 WeakPolarHBondContact OD1-CB 3.24Å; N80-K270 WeakPolarHBondContact OD1-CG 3.26Å; N80-K270 PolarHBondContact OD1-N 3.1Å
81	G	87.5	Confident	92.6	Very high	28 Å²	28	31.4 Å²	31.4	29%	0.289	19%	0.188	S	C	.	.			trans	-63.1	151.3	173.4	0	0	0	0	0	112.7	T79 L107 A108	T79-G81 PolarHBondContact O-N 3.35Å; T79-G81 PolarHBondContact OG1-N 2.86Å; G81-L107 WeakPolarHBondContact O-CB 3.22Å; G81-A108 PolarHBondContact O-N 2.75Å; G81-A108 VanDerWaalsContact O-N 3.09Å
82	S	83.3	Confident	92.5	Very high	36 Å²	36	30.5 Å²	30.5	25%	0.252	18%	0.183	S	C	.	.			trans	-120.1	14.8	179.9	54.9	0	0	0	0	113.5	T186	S82-T186 VanDerWaalsContact CB-O 3.25Å; S82-T186 WeakPolarHBondContact CB-O 3.42Å
83	G	81.2	Confident	92.5	Very high	45 Å²	45	29 Å²	29	46%	0.464	18%	0.181	S	C	.	.	S	Bend	trans	-71.7	-171.8	-178.8	0	0	0	0	0	114.6	A85 L107	G83-A85 PolarHBondContact O-N 3.04Å; G83-L107 WeakPolarHBondContact O-CD1 3.48Å
84	D	86.4	Confident	92.5	Very high	69 Å²	69	37.6 Å²	37.6	37%	0.369	22%	0.218	S	C	.	.			trans	-66.2	116.9	176.9	171.2	46	0	0	0	111.7	T86 T87 K88	D84-T86 VanDerWaalsContact C-N 3.26Å; D84-T86 PolarHBondContact O-N 3.49Å; D84-T86 WeakPolarHBondContact OD1-CB 3.29Å; D84-T86 PolarHBondContact OD1-N 3.39Å; D84-T86 PolarHBondContact OD1-OG1 3.4Å; D84-T86 WeakPolarHBondContact OD2-CB 3.33Å; D84-T87 PolarHBondContact O-N 3.32Å; D84-T87 WeakPolarHBondContact OD2-CB 3.27Å; D84-T87 PolarHBondContact OD2-N 2.83Å; D84-T87 PolarHBondContact OD2-OG1 3.42Å; D84-K88 PolarHBondContact O-N 2.93Å
85	A	87.6	Confident	92.4	Very high	32 Å²	32	39.1 Å²	39.1	26%	0.264	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-39	178.7	0	0	0	0	0	111.8	G83 T87 K88 V89 L107	G83-A85 PolarHBondContact O-N 3.04Å; A85-T87 VanDerWaalsContact C-N 3.34Å; A85-T87 PolarHBondContact O-N 3.11Å; A85-K88 PolarHBondContact O-N 3.02Å; A85-K88 VanDerWaalsContact O-N 3.17Å; A85-V89 VanDerWaalsContact O-CG2 3.24Å; A85-V89 WeakPolarHBondContact O-CG2 3.02Å; A85-V89 PolarHBondContact O-N 2.96Å; A85-L107 HydrophobicContact CB-CD1 3.8Å
86	T	91.1	Very high	92.2	Very high	64 Å²	64	40.3 Å²	40.3	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-58.4	-47.3	-178.8	-37.1	0	0	0	0	111.2	D84 K88 V89 Q90	D84-T86 VanDerWaalsContact C-N 3.26Å; D84-T86 PolarHBondContact O-N 3.49Å; D84-T86 WeakPolarHBondContact OD1-CB 3.29Å; D84-T86 PolarHBondContact OD1-N 3.39Å; D84-T86 PolarHBondContact OD1-OG1 3.4Å; D84-T86 WeakPolarHBondContact OD2-CB 3.33Å; T86-K88 PolarHBondContact O-N 3.23Å; T86-V89 PolarHBondContact O-N 3.49Å; T86-Q90 WeakPolarHBondContact O-CG 3.44Å; T86-Q90 PolarHBondContact O-N 2.74Å
87	T	91.3	Very high	92	Very high	81 Å²	81	43.2 Å²	43.2	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-43.6	177.3	-61.5	0	0	0	0	111.7	D84 A85 Q90 M91	D84-T87 PolarHBondContact O-N 3.32Å; D84-T87 WeakPolarHBondContact OD2-CB 3.27Å; D84-T87 PolarHBondContact OD2-N 2.83Å; D84-T87 PolarHBondContact OD2-OG1 3.42Å; A85-T87 VanDerWaalsContact C-N 3.34Å; A85-T87 PolarHBondContact O-N 3.11Å; T87-Q90 PolarHBondContact O-N 3.18Å; T87-M91 VanDerWaalsContact O-CB 3.3Å; T87-M91 WeakPolarHBondContact O-CB 3.36Å; T87-M91 PolarHBondContact O-N 2.85Å
88	K	91.8	Very high	91.8	Very high	45 Å²	45	43.6 Å²	43.6	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-41.7	177.6	-76.4	-75.7	-170.6	171.4	0	111.9	D43 D84 A85 T86 M91 V92 V105 L107	D43-K88 IonicContact OD2-NZ 2.69Å; D84-K88 PolarHBondContact O-N 2.93Å; A85-K88 PolarHBondContact O-N 3.02Å; A85-K88 VanDerWaalsContact O-N 3.17Å; T86-K88 PolarHBondContact O-N 3.23Å; K88-M91 HydrophobicContact CD-CE 3.76Å; K88-M91 PolarHBondContact O-N 3.16Å; K88-V92 WeakPolarHBondContact O-CG2 3.38Å; K88-V92 PolarHBondContact O-N 3.34Å; K88-V105 HydrophobicContact CB-CG1 3.96Å; K88-L107 HydrophobicContact CG-CD2 4.47Å
89	V	94.7	Very high	91.5	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-47.6	176.1	172.9	0	0	0	0	111.3	A85 T86 M91 V92 S93 I100 P102 V105	A85-V89 VanDerWaalsContact O-CG2 3.24Å; A85-V89 WeakPolarHBondContact O-CG2 3.02Å; A85-V89 PolarHBondContact O-N 2.96Å; T86-V89 PolarHBondContact O-N 3.49Å; V89-M91 PolarHBondContact O-N 3.28Å; V89-V92 PolarHBondContact O-N 2.95Å; V89-S93 VanDerWaalsContact O-CB 3.26Å; V89-S93 WeakPolarHBondContact O-CB 3.47Å; V89-S93 PolarHBondContact O-N 2.9Å; V89-S93 PolarHBondContact O-OG 3.26Å; V89-I100 VanDerWaalsContact CG1-O 3.25Å; V89-I100 WeakPolarHBondContact CG1-O 3.35Å; V89-P102 HydrophobicContact CG2-CB 4.45Å; V89-V105 HydrophobicContact CB-CG2 4.39Å; V89-V105 HydrophobicContact CG2-CB 3.91Å; V89-V105 HydrophobicContact CG2-CG2 3.55Å
90	Q	95	Very high	91.5	Very high	125 Å²	125	50.3 Å²	50.3	58%	0.584	30%	0.297	S	S	*	.	H	α-helix	trans	-62.4	-42.8	177.8	-71.8	173.4	-3.8	0	0	111.9	T86 T87 K94	T86-Q90 WeakPolarHBondContact O-CG 3.44Å; T86-Q90 PolarHBondContact O-N 2.74Å; T87-Q90 PolarHBondContact O-N 3.18Å; Q90-K94 VanDerWaalsContact O-CB 3.29Å; Q90-K94 WeakPolarHBondContact O-CB 3.29Å; Q90-K94 PolarHBondContact O-N 2.93Å
91	M	94	Very high	91.7	Very high	26 Å²	26	53 Å²	53	13%	0.128	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-51.7	177.8	-178.2	-172.6	76.9	0	0	111.1	I42 L50 T87 K88 V89 K94 W95	I42-M91 HydrophobicContact CG2-CE 4.26Å; L50-M91 HydrophobicContact CD2-SD 4.23Å; T87-M91 VanDerWaalsContact O-CB 3.3Å; T87-M91 WeakPolarHBondContact O-CB 3.36Å; T87-M91 PolarHBondContact O-N 2.85Å; K88-M91 HydrophobicContact CD-CE 3.76Å; K88-M91 PolarHBondContact O-N 3.16Å; V89-M91 PolarHBondContact O-N 3.28Å; M91-K94 WeakPolarHBondContact O-CB 3.42Å; M91-K94 PolarHBondContact O-N 3.43Å; M91-W95 HydrophobicContact CE-CH2 3.5Å; M91-W95 VanDerWaalsContact CE-CH2 3.5Å; M91-W95 HydrophobicContact CE-CZ2 3.78Å; M91-W95 HydrophobicContact CE-CZ3 3.92Å; M91-W95 HydrophobicContact CG-CD2 4.33Å; M91-W95 HydrophobicContact CG-CH2 4.47Å; M91-W95 HydrophobicContact CG-CZ2 3.84Å; M91-W95 PolarHBondContact O-N 2.86Å; M91-W95 HydrophobicContact SD-CH2 4.03Å; M91-W95 HydrophobicContact SD-CZ2 3.69Å
92	V	94	Very high	92	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71.7	-38	-176.9	-177.4	0	0	0	0	112	L77 K88 V89 K94 W95 F96 I100	L77-V92 HydrophobicContact CD1-CB 3.97Å; L77-V92 HydrophobicContact CD1-CG1 3.45Å; L77-V92 VanDerWaalsContact CD1-CG1 3.45Å; L77-V92 HydrophobicContact CD1-CG2 3.92Å; K88-V92 WeakPolarHBondContact O-CG2 3.38Å; K88-V92 PolarHBondContact O-N 3.34Å; V89-V92 PolarHBondContact O-N 2.95Å; V92-K94 PolarHBondContact O-N 2.79Å; V92-W95 HydrophobicContact CG2-CE3 4.21Å; V92-W95 HydrophobicContact CG2-CZ3 4.38Å; V92-W95 WeakPolarHBondContact O-CB 3.34Å; V92-W95 PolarHBondContact O-N 3.43Å; V92-W95 VanDerWaalsContact O-N 3.17Å; V92-F96 HydrophobicContact CG1-CD2 3.47Å; V92-F96 VanDerWaalsContact CG1-CD2 3.47Å; V92-F96 HydrophobicContact CG1-CE2 3.36Å; V92-F96 PolarHBondContact O-N 3.17Å; V92-I100 HydrophobicContact CG1-CG1 4.28Å
93	S	94.8	Very high	92.6	Very high	22 Å²	22	57 Å²	57	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-41.3	173.3	-59.1	0	0	0	0	111.2	V89 G97 I98 I100	V89-S93 VanDerWaalsContact O-CB 3.26Å; V89-S93 WeakPolarHBondContact O-CB 3.47Å; V89-S93 PolarHBondContact O-N 2.9Å; V89-S93 PolarHBondContact O-OG 3.26Å; S93-G97 WeakPolarHBondContact O-CA 3.27Å; S93-G97 PolarHBondContact O-N 2.75Å; S93-I98 VanDerWaalsContact CA-O 3.23Å; S93-I98 WeakPolarHBondContact CA-O 3.42Å; S93-I98 WeakPolarHBondContact CB-O 3.5Å; S93-I98 PolarHBondContact O-N 3.32Å; S93-I100 WeakPolarHBondContact OG-CB 3.46Å; S93-I100 PolarHBondContact OG-N 3.33Å
94	K	94.9	Very high	93.3	Very high	181 Å²	181	55.5 Å²	55.5	79%	0.787	31%	0.306	S	S	*	.	H	α-helix	trans	-66.1	-41.6	175.4	-178.1	-176.9	176.5	-173.5	0	112.6	Q90 M91 V92 F96	Q90-K94 VanDerWaalsContact O-CB 3.29Å; Q90-K94 WeakPolarHBondContact O-CB 3.29Å; Q90-K94 PolarHBondContact O-N 2.93Å; M91-K94 WeakPolarHBondContact O-CB 3.42Å; M91-K94 PolarHBondContact O-N 3.43Å; V92-K94 PolarHBondContact O-N 2.79Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.1Å
95	W	95.3	Very high	93.8	Very high	32 Å²	32	52.4 Å²	52.4	12%	0.121	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-39.9	179.6	-75.4	-10.2	0	0	0	112.9	I42 L46 G49 L50 V52 M91 V92	I42-W95 HydrophobicContact CG2-CH2 4.26Å; I42-W95 HydrophobicContact CG2-CZ3 4.02Å; L46-W95 HydrophobicContact CB-CZ3 4.27Å; G49-W95 WeakPolarHBondContact O-CZ2 3.48Å; L50-W95 PolarHBondContact O-NE1 2.94Å; V52-W95 HydrophobicContact CB-CB 3.96Å; V52-W95 HydrophobicContact CB-CD2 3.79Å; V52-W95 HydrophobicContact CB-CE3 4.33Å; V52-W95 HydrophobicContact CB-CG 3.63Å; V52-W95 HydrophobicContact CG2-CB 3.88Å; V52-W95 HydrophobicContact CG2-CD2 4.1Å; V52-W95 HydrophobicContact CG2-CE3 4.22Å; V52-W95 HydrophobicContact CG2-CG 3.99Å; M91-W95 HydrophobicContact CE-CH2 3.5Å; M91-W95 VanDerWaalsContact CE-CH2 3.5Å; M91-W95 HydrophobicContact CE-CZ2 3.78Å; M91-W95 HydrophobicContact CE-CZ3 3.92Å; M91-W95 HydrophobicContact CG-CD2 4.33Å; M91-W95 HydrophobicContact CG-CH2 4.47Å; M91-W95 HydrophobicContact CG-CZ2 3.84Å; M91-W95 PolarHBondContact O-N 2.86Å; M91-W95 HydrophobicContact SD-CH2 4.03Å; M91-W95 HydrophobicContact SD-CZ2 3.69Å; V92-W95 HydrophobicContact CG2-CE3 4.21Å; V92-W95 HydrophobicContact CG2-CZ3 4.38Å; V92-W95 WeakPolarHBondContact O-CB 3.34Å; V92-W95 PolarHBondContact O-N 3.43Å; V92-W95 VanDerWaalsContact O-N 3.17Å
96	F	94.4	Very high	94.3	Very high	26 Å²	26	50.9 Å²	50.9	11%	0.114	28%	0.277	C	S	.	.	H	α-helix	trans	-107	-6.7	-172.6	-56.6	-45	0	0	0	114.3	L46 V52 A56 F60 V92 K94 I98	L46-F96 HydrophobicContact CB-CZ 4.23Å; L46-F96 HydrophobicContact CD1-CE2 4.19Å; L46-F96 HydrophobicContact CD1-CZ 4.22Å; L46-F96 HydrophobicContact CD2-CZ 4.18Å; L46-F96 HydrophobicContact CG-CZ 4.44Å; V52-F96 HydrophobicContact CG2-CD1 4.44Å; V52-F96 HydrophobicContact CG2-CE1 3.7Å; V52-F96 HydrophobicContact CG2-CZ 4.31Å; A56-F96 HydrophobicContact CB-CE1 4.03Å; A56-F96 HydrophobicContact CB-CZ 4.23Å; F60-F96 HydrophobicContact CB-CB 4.09Å; F60-F96 HydrophobicContact CB-CD1 3.69Å; F60-F96 HydrophobicContact CB-CD2 4.4Å; F60-F96 HydrophobicContact CB-CE1 4.23Å; F60-F96 HydrophobicContact CB-CG 3.8Å; F60-F96 HydrophobicContact CD1-CB 4.06Å; F60-F96 HydrophobicContact CD1-CD1 4.27Å; F60-F96 AromaticContact CD1-CD2 3.43Å; F60-F96 HydrophobicContact CD1-CD2 3.43Å; F60-F96 VanDerWaalsContact CD1-CD2 3.43Å; F60-F96 AromaticContact CD1-CE2 3.87Å; F60-F96 HydrophobicContact CD1-CE2 3.87Å; F60-F96 AromaticContact CD1-CG 3.66Å; F60-F96 HydrophobicContact CD1-CG 3.66Å; F60-F96 HydrophobicContact CD1-CZ 4.48Å; F60-F96 AromaticContact CD2-CD1 3.91Å; F60-F96 HydrophobicContact CD2-CD1 3.91Å; F60-F96 AromaticContact CD2-CD2 3.95Å; F60-F96 HydrophobicContact CD2-CD2 3.95Å; F60-F96 AromaticContact CD2-CE1 3.63Å; F60-F96 HydrophobicContact CD2-CE1 3.63Å; F60-F96 AromaticContact CD2-CE2 3.63Å; F60-F96 HydrophobicContact CD2-CE2 3.63Å; F60-F96 HydrophobicContact CD2-CG 4.08Å; F60-F96 AromaticContact CD2-CZ 3.48Å; F60-F96 HydrophobicContact CD2-CZ 3.48Å; F60-F96 VanDerWaalsContact CD2-CZ 3.48Å; F60-F96 AromaticContact CE1-CD2 3.55Å; F60-F96 HydrophobicContact CE1-CD2 3.55Å; F60-F96 AromaticContact CE1-CE2 3.68Å; F60-F96 HydrophobicContact CE1-CE2 3.68Å; F60-F96 HydrophobicContact CE1-CG 4.26Å; F60-F96 HydrophobicContact CE2-CD2 4.07Å; F60-F96 HydrophobicContact CE2-CE1 4.18Å; F60-F96 AromaticContact CE2-CE2 3.45Å; F60-F96 HydrophobicContact CE2-CE2 3.45Å; F60-F96 VanDerWaalsContact CE2-CE2 3.45Å; F60-F96 AromaticContact CE2-CZ 3.53Å; F60-F96 HydrophobicContact CE2-CZ 3.53Å; F60-F96 HydrophobicContact CG-CB 4.18Å; F60-F96 AromaticContact CG-CD1 3.67Å; F60-F96 HydrophobicContact CG-CD1 3.67Å; F60-F96 AromaticContact CG-CD2 3.63Å; F60-F96 HydrophobicContact CG-CD2 3.63Å; F60-F96 AromaticContact CG-CE1 3.91Å; F60-F96 HydrophobicContact CG-CE1 3.91Å; F60-F96 AromaticContact CG-CE2 3.84Å; F60-F96 HydrophobicContact CG-CE2 3.84Å; F60-F96 AromaticContact CG-CG 3.54Å; F60-F96 HydrophobicContact CG-CG 3.54Å; F60-F96 AromaticContact CG-CZ 3.99Å; F60-F96 HydrophobicContact CG-CZ 3.99Å; F60-F96 AromaticContact CZ-CD2 3.87Å; F60-F96 HydrophobicContact CZ-CD2 3.87Å; F60-F96 AromaticContact CZ-CE2 3.47Å; F60-F96 HydrophobicContact CZ-CE2 3.47Å; F60-F96 VanDerWaalsContact CZ-CE2 3.47Å; F60-F96 HydrophobicContact CZ-CZ 4.06Å; V92-F96 HydrophobicContact CG1-CD2 3.47Å; V92-F96 VanDerWaalsContact CG1-CD2 3.47Å; V92-F96 HydrophobicContact CG1-CE2 3.36Å; V92-F96 PolarHBondContact O-N 3.17Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.1Å; F96-I98 HydrophobicContact CB-CD1 4.17Å; F96-I98 HydrophobicContact CB-CG1 3.77Å; F96-I98 PolarHBondContact O-N 2.9Å
97	G	93.3	Very high	94.5	Very high	61 Å²	61	48 Å²	48	63%	0.629	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	24.7	179.8	0	0	0	0	0	113.7	S93	S93-G97 WeakPolarHBondContact O-CA 3.27Å; S93-G97 PolarHBondContact O-N 2.75Å
98	I	92.9	Very high	94.7	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.046	24%	0.236	C	C	.	.	S	Bend	trans	-126.6	156.2	-178.5	57.3	168.7	0	0	0	110.7	F60 K69 L71 S93 F96 I100	F60-I98 HydrophobicContact CD1-CD1 3.83Å; F60-I98 HydrophobicContact CE1-CD1 4.26Å; K69-I98 WeakPolarHBondContact O-CG2 3.49Å; L71-I98 HydrophobicContact CD1-CD1 3.87Å; L71-I98 HydrophobicContact CD2-CD1 3.77Å; L71-I98 HydrophobicContact CG-CD1 3.64Å; S93-I98 VanDerWaalsContact CA-O 3.23Å; S93-I98 WeakPolarHBondContact CA-O 3.42Å; S93-I98 WeakPolarHBondContact CB-O 3.5Å; S93-I98 PolarHBondContact O-N 3.32Å; F96-I98 HydrophobicContact CB-CD1 4.17Å; F96-I98 HydrophobicContact CB-CG1 3.77Å; F96-I98 PolarHBondContact O-N 2.9Å; I98-I100 HydrophobicContact CD1-CD1 3.61Å; I98-I100 HydrophobicContact CG1-CD1 3.98Å; I98-I100 HydrophobicContact CG1-CG1 4.4Å; I98-I100 PolarHBondContact O-N 2.92Å
99	N	92.5	Very high	95	Very high	146 Å²	146	42.1 Å²	42.1	78%	0.781	23%	0.227	S	C	*	.			trans	-80.3	109.7	175.3	-172.5	31.3	0	0	0	110.4
100	I	94.3	Very high	95.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	23%	0.228	C	C	.	.			trans	-91.8	123.2	171.8	-59.3	-61.8	0	0	0	108.7	L71 V89 V92 S93 I98 Q104 V105	L71-I100 HydrophobicContact CD1-CD1 4.15Å; V89-I100 VanDerWaalsContact CG1-O 3.25Å; V89-I100 WeakPolarHBondContact CG1-O 3.35Å; V92-I100 HydrophobicContact CG1-CG1 4.28Å; S93-I100 WeakPolarHBondContact OG-CB 3.46Å; S93-I100 PolarHBondContact OG-N 3.33Å; I98-I100 HydrophobicContact CD1-CD1 3.61Å; I98-I100 HydrophobicContact CG1-CD1 3.98Å; I98-I100 HydrophobicContact CG1-CG1 4.4Å; I98-I100 PolarHBondContact O-N 2.92Å; I100-Q104 HydrophobicContact CG2-CB 3.91Å; I100-V105 HydrophobicContact CG2-CG2 4.01Å
101	H	95.2	Very high	95.2	Very high	66 Å²	66	36.3 Å²	36.3	31%	0.306	20%	0.2	S	C	.	.			trans	-68.5	143.6	174.5	-174.1	-89.2	0	0	0	110.8	D103 Q104 R289	H101-D103 VanDerWaalsContact C-N 3.32Å; H101-D103 IonicContact CE1-OD1 3.23Å; H101-D103 IonicContact CE1-OD2 3.77Å; H101-D103 PolarHBondContact CE1-OD2 3.43Å; H101-D103 PolarHBondContact ND1-N 3.48Å; H101-D103 VanDerWaalsContact ND1-N 3.19Å; H101-D103 IonicContact ND1-OD2 3.66Å; H101-D103 PolarHBondContact O-N 3.25Å; H101-Q104 HydrophobicContact CB-CG 4.23Å; H101-Q104 VanDerWaalsContact CB-OE1 3.29Å; H101-Q104 WeakPolarHBondContact O-CB 3.5Å; H101-Q104 PolarHBondContact O-N 2.99Å; H101-R289 PolarHBondContact CD2-NH1 3.24Å; H101-R289 VanDerWaalsContact CD2-NH1 3.29Å; H101-R289 PolarHBondContact ND1-NH1 3.45Å
102	P	94.7	Very high	95.4	Very high	74 Å²	74	35 Å²	35	48%	0.481	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-48.2	-47.9	-179	-31.5	36.6	0	0	0	114.8	V89 Q104 V105	V89-P102 HydrophobicContact CG2-CB 4.45Å; P102-Q104 PolarHBondContact O-N 3.17Å; P102-Q104 VanDerWaalsContact O-N 3.15Å; P102-V105 PolarHBondContact O-N 2.86Å
103	D	94.8	Very high	95.5	Very high	74 Å²	74	36.6 Å²	36.6	40%	0.396	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.8	-21.1	179.7	-60.4	-9	0	0	0	114.8	H101 V105 I282	H101-D103 VanDerWaalsContact C-N 3.32Å; H101-D103 IonicContact CE1-OD1 3.23Å; H101-D103 IonicContact CE1-OD2 3.77Å; H101-D103 PolarHBondContact CE1-OD2 3.43Å; H101-D103 PolarHBondContact ND1-N 3.48Å; H101-D103 VanDerWaalsContact ND1-N 3.19Å; H101-D103 IonicContact ND1-OD2 3.66Å; H101-D103 PolarHBondContact O-N 3.25Å; D103-V105 PolarHBondContact O-N 2.88Å; D103-I282 HydrophobicContact CB-CD1 4.14Å; D103-I282 WeakPolarHBondContact O-CG2 3.48Å
104	Q	97	Very high	95.6	Very high	13 Å²	13	36 Å²	36	6%	0.061	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-71.4	-14.3	175.3	-67.6	175.6	-94.6	0	0	111.8	V75 A76 L77 I100 H101 P102 T286	V75-Q104 PolarHBondContact O-NE2 2.83Å; A76-Q104 CarbonylContact C-O 3.53Å; A76-Q104 WeakPolarHBondContact CA-O 3.37Å; L77-Q104 PolarHBondContact N-O 3.45Å; I100-Q104 HydrophobicContact CG2-CB 3.91Å; H101-Q104 HydrophobicContact CB-CG 4.23Å; H101-Q104 VanDerWaalsContact CB-OE1 3.29Å; H101-Q104 WeakPolarHBondContact O-CB 3.5Å; H101-Q104 PolarHBondContact O-N 2.99Å; P102-Q104 PolarHBondContact O-N 3.17Å; P102-Q104 VanDerWaalsContact O-N 3.15Å; Q104-T286 HydrophobicContact CG-CG2 4.16Å
105	V	97.2	Very high	95.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	104.4	170.5	-179	0	0	0	0	109.1	L77 K88 V89 I100 P102 D103 L107	L77-V105 HydrophobicContact CD1-CG2 4.21Å; K88-V105 HydrophobicContact CB-CG1 3.96Å; V89-V105 HydrophobicContact CB-CG2 4.39Å; V89-V105 HydrophobicContact CG2-CB 3.91Å; V89-V105 HydrophobicContact CG2-CG2 3.55Å; I100-V105 HydrophobicContact CG2-CG2 4.01Å; P102-V105 PolarHBondContact O-N 2.86Å; D103-V105 PolarHBondContact O-N 2.88Å; V105-L107 HydrophobicContact CG1-CD2 4.03Å
106	I	97.6	Very high	95.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	108.1	-179.4	-56	178.8	0	0	0	108.3	A76 L77 V78 T79 F278 A279 I282	A76-I106 HydrophobicContact CB-CD1 4.13Å; L77-I106 WeakPolarHBondContact O-CA 3.13Å; L77-I106 WeakPolarHBondContact O-CB 3.38Å; L77-I106 PolarHBondContact O-N 3.03Å; V78-I106 HydrophobicContact CG1-CB 4.5Å; V78-I106 HydrophobicContact CG1-CG2 4.34Å; V78-I106 HydrophobicContact CG2-CB 4.39Å; V78-I106 HydrophobicContact CG2-CD1 4.21Å; T79-I106 PolarHBondContact N-O 2.93Å; I106-F278 HydrophobicContact CD1-CD1 4.11Å; I106-F278 HydrophobicContact CD1-CE1 4.32Å; I106-F278 HydrophobicContact CG1-CD1 4.37Å; I106-F278 HydrophobicContact CG1-CE1 4.19Å; I106-F278 HydrophobicContact CG2-CD1 3.81Å; I106-F278 HydrophobicContact CG2-CE1 4.04Å; I106-A279 VanDerWaalsContact CD1-CA 3.49Å; I106-A279 HydrophobicContact CD1-CB 3.83Å; I106-I282 HydrophobicContact CD1-CB 3.87Å; I106-I282 HydrophobicContact CD1-CG1 3.7Å; I106-I282 HydrophobicContact CD1-CG2 4.15Å; I106-I282 HydrophobicContact CG1-CG1 4.1Å; I106-I282 HydrophobicContact CG1-CG2 4.48Å
107	L	95.6	Very high	95.9	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	19%	0.191	C	C	.	.			trans	-87.5	165.2	170.1	-56.3	-174.9	0	0	0	110	T79 G81 G83 A85 K88 V105 P109 S110	T79-L107 HydrophobicContact CG2-CD2 3.5Å; T79-L107 VanDerWaalsContact CG2-CD2 3.5Å; T79-L107 CarbonylContact O-C 3.57Å; G81-L107 WeakPolarHBondContact O-CB 3.22Å; G83-L107 WeakPolarHBondContact O-CD1 3.48Å; A85-L107 HydrophobicContact CB-CD1 3.8Å; K88-L107 HydrophobicContact CG-CD2 4.47Å; V105-L107 HydrophobicContact CG1-CD2 4.03Å; L107-P109 VanDerWaalsContact C-N 3.33Å; L107-P109 HydrophobicContact CB-CG 4.33Å; L107-S110 PolarHBondContact N-OG 3.5Å; L107-S110 VanDerWaalsContact O-CB 3.29Å; L107-S110 WeakPolarHBondContact O-CB 3.41Å; L107-S110 PolarHBondContact O-N 3.08Å; L107-S110 PolarHBondContact O-OG 3.03Å
108	A	95.7	Very high	96.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-49.6	172.5	0	0	0	0	0	114.2	T79 N80 G81 P111 C226 N227	T79-A108 PolarHBondContact O-N 3.21Å; T79-A108 VanDerWaalsContact O-N 3.15Å; N80-A108 WeakPolarHBondContact O-CB 3.33Å; G81-A108 PolarHBondContact O-N 2.75Å; G81-A108 VanDerWaalsContact O-N 3.09Å; A108-P111 WeakPolarHBondContact O-CD 3.24Å; A108-C226 HydrophobicContact CB-CB 4.2Å; A108-C226 WeakPolarHBondContact CB-O 3.49Å; A108-N227 HydrophobicContact CB-CB 4.33Å
109	P	96.5	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.4	179.8	32.3	-37.7	0	0	0	115.1	L107 P111 L112 L134 L138 T186 C226	L107-P109 VanDerWaalsContact C-N 3.33Å; L107-P109 HydrophobicContact CB-CG 4.33Å; P109-P111 VanDerWaalsContact C-N 3.31Å; P109-P111 VanDerWaalsContact O-N 3.17Å; P109-L112 HydrophobicContact CB-CD1 4.01Å; P109-L112 VanDerWaalsContact O-CB 3.23Å; P109-L112 WeakPolarHBondContact O-CB 3.43Å; P109-L112 WeakPolarHBondContact O-CG 3.43Å; P109-L112 PolarHBondContact O-N 2.62Å; P109-L134 HydrophobicContact CG-CD1 4.13Å; P109-L134 HydrophobicContact CG-CD2 4.14Å; P109-L138 HydrophobicContact CB-CD1 4.14Å; P109-T186 HydrophobicContact CB-CG2 4.13Å; P109-C226 HydrophobicContact CB-CB 4.26Å
110	S	97.1	Very high	96.6	Very high	19 Å²	19	29.9 Å²	29.9	13%	0.133	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-52.7	-36.7	-176.7	-64.9	0	0	0	0	115	L107 L112 S113 F278	L107-S110 PolarHBondContact N-OG 3.5Å; L107-S110 VanDerWaalsContact O-CB 3.29Å; L107-S110 WeakPolarHBondContact O-CB 3.41Å; L107-S110 PolarHBondContact O-N 3.08Å; L107-S110 PolarHBondContact O-OG 3.03Å; S110-L112 PolarHBondContact O-N 3.27Å; S110-L112 VanDerWaalsContact O-N 3.08Å; S110-S113 WeakPolarHBondContact O-CB 3.36Å; S110-S113 PolarHBondContact O-N 3.32Å; S110-S113 PolarHBondContact O-OG 2.7Å; S110-F278 WeakPolarHBondContact O-CZ 3.3Å
111	P	97.6	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-58.8	-20.9	176.1	-24.4	34.6	0	0	0	114.5	A108 P109 S113 V114 Y115 L268 I274 F278	A108-P111 WeakPolarHBondContact O-CD 3.24Å; P109-P111 VanDerWaalsContact C-N 3.31Å; P109-P111 VanDerWaalsContact O-N 3.17Å; P111-S113 PolarHBondContact O-N 3.24Å; P111-S113 VanDerWaalsContact O-N 3.12Å; P111-V114 WeakPolarHBondContact O-CG2 3.46Å; P111-V114 PolarHBondContact O-N 2.8Å; P111-Y115 WeakPolarHBondContact O-CD2 3.25Å; P111-L268 HydrophobicContact CB-CD1 4.17Å; P111-L268 HydrophobicContact CB-CD2 4.28Å; P111-I274 HydrophobicContact CB-CG2 4.45Å; P111-F278 HydrophobicContact CB-CB 4.11Å; P111-F278 HydrophobicContact CB-CD1 4.47Å; P111-F278 HydrophobicContact CB-CD2 4.21Å; P111-F278 HydrophobicContact CB-CG 4.01Å; P111-F278 HydrophobicContact CG-CB 4.01Å; P111-F278 HydrophobicContact CG-CD1 4.03Å; P111-F278 HydrophobicContact CG-CG 3.97Å
112	L	97.5	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62.6	-17.8	175.9	-65	169.4	0	0	0	113.2	P109 S110 V114 Y115 H119 F125 L138 F140 I184 I224 L268	P109-L112 HydrophobicContact CB-CD1 4.01Å; P109-L112 VanDerWaalsContact O-CB 3.23Å; P109-L112 WeakPolarHBondContact O-CB 3.43Å; P109-L112 WeakPolarHBondContact O-CG 3.43Å; P109-L112 PolarHBondContact O-N 2.62Å; S110-L112 PolarHBondContact O-N 3.27Å; S110-L112 VanDerWaalsContact O-N 3.08Å; L112-V114 PolarHBondContact O-N 3.07Å; L112-Y115 HydrophobicContact CD2-CD1 4.2Å; L112-Y115 HydrophobicContact CD2-CG 4.32Å; L112-Y115 WeakPolarHBondContact O-CB 3.31Å; L112-Y115 PolarHBondContact O-N 3.44Å; L112-Y115 VanDerWaalsContact O-N 3.08Å; L112-H119 PolarHBondContact O-NE2 2.71Å; L112-F125 HydrophobicContact CD1-CE1 4.44Å; L112-L138 HydrophobicContact CB-CD1 4.25Å; L112-L138 HydrophobicContact CD1-CD1 4.23Å; L112-F140 HydrophobicContact CB-CE2 3.95Å; L112-F140 HydrophobicContact CB-CZ 4.23Å; L112-I184 HydrophobicContact CD1-CD1 4.09Å; L112-I184 HydrophobicContact CD1-CG2 3.53Å; L112-I184 HydrophobicContact CD2-CD1 3.95Å; L112-I224 HydrophobicContact CD2-CD1 4.07Å; L112-I224 HydrophobicContact CD2-CG2 4.09Å; L112-L268 HydrophobicContact CD2-CD1 3.81Å; L112-L268 HydrophobicContact CG-CD1 3.77Å
113	S	97.2	Very high	97.1	Very high	33 Å²	33	26.5 Å²	26.5	23%	0.231	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-61.9	-24.7	175.3	60	0	0	0	0	113.8	S110 P111 K116 H119 L138 F278	S110-S113 WeakPolarHBondContact O-CB 3.36Å; S110-S113 PolarHBondContact O-N 3.32Å; S110-S113 PolarHBondContact O-OG 2.7Å; P111-S113 PolarHBondContact O-N 3.24Å; P111-S113 VanDerWaalsContact O-N 3.12Å; S113-K116 VanDerWaalsContact O-CE 3.27Å; S113-K116 WeakPolarHBondContact O-CE 3.31Å; S113-K116 PolarHBondContact O-NZ 3.07Å; S113-H119 PolarHBondContact O-CE1 2.89Å; S113-L138 WeakPolarHBondContact CA-O 3.48Å; S113-F278 VanDerWaalsContact OG-CE2 3.28Å; S113-F278 WeakPolarHBondContact OG-CE2 3.34Å; S113-F278 WeakPolarHBondContact OG-CZ 3.28Å
114	V	97.1	Very high	97.3	Very high	8 Å²	8	23 Å²	23	5%	0.048	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-97.3	0.6	175.5	-63.2	0	0	0	0	113.5	P111 L112 K116 F278 A355 A356 F357	P111-V114 WeakPolarHBondContact O-CG2 3.46Å; P111-V114 PolarHBondContact O-N 2.8Å; L112-V114 PolarHBondContact O-N 3.07Å; V114-K116 PolarHBondContact O-N 3.11Å; V114-K116 VanDerWaalsContact O-N 3.08Å; V114-F278 HydrophobicContact CG1-CD2 4.3Å; V114-F278 HydrophobicContact CG1-CE2 3.98Å; V114-F278 HydrophobicContact CG2-CD2 4.08Å; V114-F278 HydrophobicContact CG2-CE2 4.36Å; V114-A355 HydrophobicContact CG2-CB 4.26Å; V114-A355 WeakPolarHBondContact O-CA 3.24Å; V114-A356 HydrophobicContact CB-CB 4.3Å; V114-A356 PolarHBondContact O-N 3.4Å; V114-F357 HydrophobicContact CG2-CD1 4.23Å; V114-F357 HydrophobicContact CG2-CE1 3.74Å; V114-F357 HydrophobicContact CG2-CE2 4.03Å; V114-F357 HydrophobicContact CG2-CZ 3.63Å
115	Y	97.3	Very high	97.3	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.008	11%	0.113	C	C	.	.			trans	-87.6	55.8	-179.4	-80.3	-130.3	0	0	0	111.1	P111 L112 E117 Y118 H119 I224 S266 I274 P352	P111-Y115 WeakPolarHBondContact O-CD2 3.25Å; L112-Y115 HydrophobicContact CD2-CD1 4.2Å; L112-Y115 HydrophobicContact CD2-CG 4.32Å; L112-Y115 WeakPolarHBondContact O-CB 3.31Å; L112-Y115 PolarHBondContact O-N 3.44Å; L112-Y115 VanDerWaalsContact O-N 3.08Å; Y115-E117 PolarHBondContact O-N 2.47Å; Y115-Y118 HydrophobicContact CD1-CD2 4.11Å; Y115-Y118 HydrophobicContact CD1-CE2 4.05Å; Y115-Y118 PolarHBondContact O-N 3.38Å; Y115-Y118 VanDerWaalsContact O-N 3.09Å; Y115-H119 PolarHBondContact O-CD2 3.04Å; Y115-H119 PolarHBondContact O-NE2 3.36Å; Y115-I224 HydrophobicContact CD1-CD1 3.85Å; Y115-I224 HydrophobicContact CE1-CD1 3.92Å; Y115-S266 PolarHBondContact OH-OG 3.19Å; Y115-S266 VanDerWaalsContact OH-OG 3.08Å; Y115-I274 HydrophobicContact CE2-CG2 4.43Å; Y115-I274 WeakPolarHBondContact OH-CG2 3.45Å; Y115-P352 HydrophobicContact CE1-CG 3.83Å; Y115-P352 HydrophobicContact CE2-CG 4.19Å; Y115-P352 WeakPolarHBondContact OH-CD 3.49Å; Y115-P352 WeakPolarHBondContact OH-CG 3.39Å
116	K	97.2	Very high	97.3	Very high	109 Å²	109	22.5 Å²	22.5	47%	0.474	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-57.9	-27.7	-170.1	-59.7	-47.2	-164.5	-172.9	0	114	S113 V114 Y118 H119 A356	S113-K116 VanDerWaalsContact O-CE 3.27Å; S113-K116 WeakPolarHBondContact O-CE 3.31Å; S113-K116 PolarHBondContact O-NZ 3.07Å; V114-K116 PolarHBondContact O-N 3.11Å; V114-K116 VanDerWaalsContact O-N 3.08Å; K116-Y118 PolarHBondContact O-N 2.68Å; K116-Y118 VanDerWaalsContact O-N 3.11Å; K116-H119 VanDerWaalsContact CD-CE1 3.43Å; K116-H119 WeakPolarHBondContact CD-CE1 3.41Å; K116-H119 VanDerWaalsContact CD-ND1 3.27Å; K116-H119 WeakPolarHBondContact CD-ND1 3.13Å; K116-H119 PolarHBondContact NZ-CE1 3.08Å; K116-H119 VanDerWaalsContact NZ-CE1 3.34Å; K116-H119 PolarHBondContact NZ-ND1 2.86Å; K116-H119 PolarHBondContact O-N 2.83Å; K116-H119 VanDerWaalsContact O-N 3.15Å; K116-A356 HydrophobicContact CG-CB 4.04Å
117	E	96	Very high	97.1	Very high	75 Å²	75	23.3 Å²	23.3	35%	0.35	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-62.6	-15.5	178.5	72.3	-176.8	137.3	0	0	114.9	Y115 K121	Y115-E117 PolarHBondContact O-N 2.47Å; E117-K121 WeakPolarHBondContact O-CD 3.41Å; E117-K121 WeakPolarHBondContact O-CE 3.38Å; E117-K121 PolarHBondContact O-NZ 3.44Å
118	Y	97.3	Very high	96.9	Very high	12 Å²	12	28.3 Å²	28.3	5%	0.047	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-106	-10.8	177.1	-61.3	-80.1	0	0	0	113.7	Y115 K116 D120 K121 A182 P222 I224	Y115-Y118 HydrophobicContact CD1-CD2 4.11Å; Y115-Y118 HydrophobicContact CD1-CE2 4.05Å; Y115-Y118 PolarHBondContact O-N 3.38Å; Y115-Y118 VanDerWaalsContact O-N 3.09Å; K116-Y118 PolarHBondContact O-N 2.68Å; K116-Y118 VanDerWaalsContact O-N 3.11Å; Y118-D120 VanDerWaalsContact C-N 3.29Å; Y118-D120 PolarHBondContact O-N 3.42Å; Y118-K121 HydrophobicContact CD1-CD 4.15Å; Y118-K121 PolarHBondContact O-N 2.97Å; Y118-K121 VanDerWaalsContact O-N 3.16Å; Y118-A182 HydrophobicContact CD1-CB 3.68Å; Y118-A182 HydrophobicContact CE1-CB 3.85Å; Y118-P222 HydrophobicContact CE1-CB 3.9Å; Y118-P222 HydrophobicContact CE1-CG 4.13Å; Y118-I224 HydrophobicContact CD2-CD1 4.48Å; Y118-I224 HydrophobicContact CE2-CD1 4.18Å
119	H	98	Very high	96.6	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.056	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.5	-168.3	-74.9	-165.3	0	0	0	113	L112 S113 Y115 K116 L138 G139 F140 T141	L112-H119 PolarHBondContact O-NE2 2.71Å; S113-H119 PolarHBondContact O-CE1 2.89Å; Y115-H119 PolarHBondContact O-CD2 3.04Å; Y115-H119 PolarHBondContact O-NE2 3.36Å; K116-H119 VanDerWaalsContact CD-CE1 3.43Å; K116-H119 WeakPolarHBondContact CD-CE1 3.41Å; K116-H119 VanDerWaalsContact CD-ND1 3.27Å; K116-H119 WeakPolarHBondContact CD-ND1 3.13Å; K116-H119 PolarHBondContact NZ-CE1 3.08Å; K116-H119 VanDerWaalsContact NZ-CE1 3.34Å; K116-H119 PolarHBondContact NZ-ND1 2.86Å; K116-H119 PolarHBondContact O-N 2.83Å; K116-H119 VanDerWaalsContact O-N 3.15Å; H119-L138 PolarHBondContact CE1-O 2.9Å; H119-L138 PolarHBondContact NE2-O 2.88Å; H119-G139 WeakPolarHBondContact CB-O 3.34Å; H119-F140 AromaticContact CD2-CD2 3.9Å; H119-F140 AromaticContact CD2-CE2 3.64Å; H119-F140 AromaticContact CD2-CZ 3.73Å; H119-F140 AromaticContact NE2-CE2 3.62Å; H119-F140 CarbonylContact O-C 3.6Å; H119-F140 WeakPolarHBondContact O-CA 3.37Å; H119-T141 PolarHBondContact O-N 3.31Å; H119-T141 PolarHBondContact O-OG1 2.95Å; H119-T141 VanDerWaalsContact O-OG1 3.13Å
120	D	97.7	Very high	96.4	Very high	117 Å²	117	37 Å²	37	63%	0.626	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.2	178.7	-62.3	-45.5	0	0	0	114.2	Y118 T141 N142	Y118-D120 VanDerWaalsContact C-N 3.29Å; Y118-D120 PolarHBondContact O-N 3.42Å; D120-T141 PolarHBondContact OD1-OG1 3.24Å; D120-N142 PolarHBondContact O-ND2 2.85Å
121	K	97.9	Very high	96.3	Very high	64 Å²	64	36.9 Å²	36.9	28%	0.278	21%	0.206	S	C	.	.	S	Bend	trans	-81.9	157.3	-179.5	-69.7	-174.6	179.3	169	0	111.8	E117 Y118 V123 N142 E181	E117-K121 WeakPolarHBondContact O-CD 3.41Å; E117-K121 WeakPolarHBondContact O-CE 3.38Å; E117-K121 PolarHBondContact O-NZ 3.44Å; Y118-K121 HydrophobicContact CD1-CD 4.15Å; Y118-K121 PolarHBondContact O-N 2.97Å; Y118-K121 VanDerWaalsContact O-N 3.16Å; K121-V123 HydrophobicContact CB-CG2 4.04Å; K121-V123 WeakPolarHBondContact O-CG2 3.44Å; K121-V123 PolarHBondContact O-N 2.8Å; K121-V123 VanDerWaalsContact O-N 3.14Å; K121-N142 WeakPolarHBondContact O-CB 3.42Å; K121-E181 WeakPolarHBondContact CA-OE2 3.16Å; K121-E181 HydrophobicContact CB-CB 4.09Å; K121-E181 HydrophobicContact CD-CB 4.14Å; K121-E181 HydrophobicContact CG-CB 4.47Å
122	C	98.2	Very high	96.1	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	102	169.6	-172	0	0	0	0	109.7	N142 V144 K178 R179 E181	C122-N142 WeakPolarHBondContact CA-O 3.32Å; C122-V144 VanDerWaalsContact SG-CG2 3.59Å; C122-K178 HydrophobicContact CB-CB 4.5Å; C122-R179 WeakPolarHBondContact CB-O 3.42Å; C122-E181 HydrophobicContact CB-CG 4.47Å; C122-E181 PolarHBondContact N-OE2 2.98Å; C122-E181 PolarHBondContact O-N 2.94Å
123	V	98.6	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.6	-172.9	-177.7	0	0	0	0	111	K121 F125 F140 N142 V144 A182 I184	K121-V123 HydrophobicContact CB-CG2 4.04Å; K121-V123 WeakPolarHBondContact O-CG2 3.44Å; K121-V123 PolarHBondContact O-N 2.8Å; K121-V123 VanDerWaalsContact O-N 3.14Å; V123-F125 HydrophobicContact CB-CD2 4.21Å; V123-F125 HydrophobicContact CB-CE2 3.99Å; V123-F125 HydrophobicContact CG1-CD2 3.72Å; V123-F125 HydrophobicContact CG1-CE2 3.55Å; V123-F125 PolarHBondContact O-N 3.21Å; V123-F140 HydrophobicContact CB-CD1 4.3Å; V123-F140 HydrophobicContact CG1-CE1 4.41Å; V123-F140 HydrophobicContact CG2-CD1 4.08Å; V123-F140 HydrophobicContact CG2-CE1 4.15Å; V123-N142 PolarHBondContact N-O 2.79Å; V123-V144 PolarHBondContact O-N 3.37Å; V123-A182 WeakPolarHBondContact CA-O 3.43Å; V123-A182 HydrophobicContact CG1-CB 4.3Å; V123-A182 HydrophobicContact CG2-CB 4.19Å; V123-I184 HydrophobicContact CG1-CB 4.3Å; V123-I184 HydrophobicContact CG1-CD1 3.73Å; V123-I184 HydrophobicContact CG1-CG1 3.71Å
124	L	98.5	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.5	170	173.3	60.9	0	0	0	109.4	I126 V144 T145 L146 V149 I180 A182 I183 I184 L199 L202	L124-I126 HydrophobicContact CD1-CG1 4.18Å; L124-I126 HydrophobicContact CD2-CD1 3.93Å; L124-I126 HydrophobicContact CD2-CG1 4.25Å; L124-I126 HydrophobicContact CG-CD1 4.13Å; L124-I126 HydrophobicContact CG-CG1 3.89Å; L124-V144 WeakPolarHBondContact CA-O 3.45Å; L124-V144 HydrophobicContact CD1-CG1 4.39Å; L124-V144 WeakPolarHBondContact CD1-O 3.43Å; L124-T145 VanDerWaalsContact CD1-C 3.45Å; L124-L146 HydrophobicContact CD1-CD2 4.34Å; L124-L146 HydrophobicContact CD2-CD2 4.17Å; L124-V149 HydrophobicContact CD1-CG2 4.22Å; L124-V149 HydrophobicContact CD2-CG2 4.5Å; L124-I180 HydrophobicContact CB-CD1 4.06Å; L124-I180 HydrophobicContact CB-CG1 4.4Å; L124-I180 HydrophobicContact CB-CG2 3.82Å; L124-I180 HydrophobicContact CD2-CD1 4.29Å; L124-A182 PolarHBondContact N-O 3.27Å; L124-I183 HydrophobicContact CB-CG1 4.33Å; L124-I183 HydrophobicContact CD2-CG1 4.32Å; L124-I183 CarbonylContact O-C 3.56Å; L124-I183 WeakPolarHBondContact O-CA 3.36Å; L124-I184 PolarHBondContact O-N 3.12Å; L124-L199 HydrophobicContact CD2-CD2 4.45Å; L124-L202 HydrophobicContact CD2-CD1 3.36Å
125	F	97.9	Very high	95.8	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135	170.6	-83.6	-111.5	0	0	0	111	L112 V123 I131 A135 F140 V143 V144 I184 T186	L112-F125 HydrophobicContact CD1-CE1 4.44Å; V123-F125 HydrophobicContact CB-CD2 4.21Å; V123-F125 HydrophobicContact CB-CE2 3.99Å; V123-F125 HydrophobicContact CG1-CD2 3.72Å; V123-F125 HydrophobicContact CG1-CE2 3.55Å; V123-F125 PolarHBondContact O-N 3.21Å; F125-I131 HydrophobicContact CB-CG2 3.25Å; F125-I131 HydrophobicContact CD1-CG2 4.3Å; F125-I131 HydrophobicContact CG-CG2 4.16Å; F125-A135 HydrophobicContact CD1-CB 3.81Å; F125-A135 HydrophobicContact CD2-CB 3.97Å; F125-A135 HydrophobicContact CE1-CB 3.61Å; F125-A135 HydrophobicContact CE2-CB 3.76Å; F125-A135 HydrophobicContact CG-CB 3.99Å; F125-A135 HydrophobicContact CZ-CB 3.57Å; F125-F140 HydrophobicContact CE2-CB 4.17Å; F125-F140 AromaticContact CE2-CD1 3.59Å; F125-F140 HydrophobicContact CE2-CD1 3.59Å; F125-F140 HydrophobicContact CE2-CD2 4.21Å; F125-F140 AromaticContact CE2-CE1 3.95Å; F125-F140 HydrophobicContact CE2-CE1 3.95Å; F125-F140 AromaticContact CE2-CG 3.73Å; F125-F140 HydrophobicContact CE2-CG 3.73Å; F125-F140 HydrophobicContact CE2-CZ 4.42Å; F125-F140 HydrophobicContact CZ-CB 4.29Å; F125-F140 AromaticContact CZ-CD1 3.75Å; F125-F140 HydrophobicContact CZ-CD1 3.75Å; F125-F140 AromaticContact CZ-CD2 3.58Å; F125-F140 HydrophobicContact CZ-CD2 3.58Å; F125-F140 AromaticContact CZ-CE1 3.86Å; F125-F140 HydrophobicContact CZ-CE1 3.86Å; F125-F140 AromaticContact CZ-CE2 3.74Å; F125-F140 HydrophobicContact CZ-CE2 3.74Å; F125-F140 AromaticContact CZ-CG 3.6Å; F125-F140 HydrophobicContact CZ-CG 3.6Å; F125-F140 AromaticContact CZ-CZ 3.87Å; F125-F140 HydrophobicContact CZ-CZ 3.87Å; F125-V143 HydrophobicContact CB-CG1 4.2Å; F125-V143 HydrophobicContact CD2-CG1 3.81Å; F125-V143 HydrophobicContact CE2-CG2 4.49Å; F125-V143 HydrophobicContact CG-CG1 4.2Å; F125-V144 PolarHBondContact N-O 3.47Å; F125-I184 WeakPolarHBondContact CA-O 3.13Å; F125-I184 HydrophobicContact CD1-CB 4.15Å; F125-I184 HydrophobicContact CD1-CG2 3.97Å; F125-I184 HydrophobicContact CD2-CB 4.41Å; F125-I184 HydrophobicContact CE1-CB 4.13Å; F125-I184 HydrophobicContact CE1-CD1 4.13Å; F125-I184 HydrophobicContact CE1-CG2 3.78Å; F125-I184 HydrophobicContact CE2-CB 4.41Å; F125-I184 HydrophobicContact CE2-CD1 3.85Å; F125-I184 HydrophobicContact CG-CB 4.29Å; F125-I184 HydrophobicContact CZ-CB 4.26Å; F125-I184 HydrophobicContact CZ-CD1 3.55Å; F125-I184 HydrophobicContact CZ-CG1 4.43Å; F125-I184 HydrophobicContact CZ-CG2 4.28Å; F125-T186 HydrophobicContact CD1-CG2 3.88Å; F125-T186 HydrophobicContact CE1-CG2 4.23Å
126	I	97	Very high	95.8	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.5	179.7	-53.8	-175.3	0	0	0	109.6	L124 L146 I183 I184 L185 T186 P189 L199	L124-I126 HydrophobicContact CD1-CG1 4.18Å; L124-I126 HydrophobicContact CD2-CD1 3.93Å; L124-I126 HydrophobicContact CD2-CG1 4.25Å; L124-I126 HydrophobicContact CG-CD1 4.13Å; L124-I126 HydrophobicContact CG-CG1 3.89Å; I126-L146 HydrophobicContact CD1-CD1 4.15Å; I126-L146 HydrophobicContact CD1-CD2 3.85Å; I126-L146 HydrophobicContact CD1-CG 4.05Å; I126-L146 HydrophobicContact CG1-CD1 4.35Å; I126-L146 HydrophobicContact CG1-CD2 4.36Å; I126-L146 HydrophobicContact CG1-CG 4.11Å; I126-L146 HydrophobicContact CG2-CD1 4.07Å; I126-I183 HydrophobicContact CD1-CG2 4.42Å; I126-I184 PolarHBondContact N-O 2.87Å; I126-L185 HydrophobicContact CB-CD2 3.8Å; I126-L185 HydrophobicContact CD1-CD2 3.76Å; I126-L185 HydrophobicContact CG1-CD2 4.13Å; I126-L185 HydrophobicContact CG2-CD2 4.3Å; I126-L185 CarbonylContact O-C 3.59Å; I126-T186 PolarHBondContact O-N 3.23Å; I126-T186 PolarHBondContact O-OG1 2.87Å; I126-P189 HydrophobicContact CG2-CB 3.69Å; I126-P189 HydrophobicContact CG2-CG 3.76Å; I126-L199 HydrophobicContact CD1-CD1 3.73Å; I126-L199 HydrophobicContact CD1-CD2 3.3Å; I126-L199 HydrophobicContact CD1-CG 3.52Å
127	G	94	Very high	95.6	Very high	17 Å²	17	47.1 Å²	47.1	18%	0.175	26%	0.259	C	S	.	.	S	Bend	trans	170.3	-159.4	175.7	0	0	0	0	0	110.1
128	Q	90.9	Very high	95.6	Very high	110 Å²	110	44.4 Å²	44.4	51%	0.514	25%	0.247	S	C	.	.	S	Bend	trans	-115.7	157.7	176.8	-69.5	176.9	46.1	0	0	111.7	I131 E188	Q128-I131 VanDerWaalsContact O-CD1 3.32Å; Q128-I131 WeakPolarHBondContact O-CD1 3.39Å; Q128-E188 WeakPolarHBondContact CG-O 3.41Å; Q128-E188 PolarHBondContact NE2-O 3.46Å
129	G	89.9	Confident	95.6	Very high	74 Å²	74	45.3 Å²	45.3	76%	0.763	26%	0.259	S	S	*	.	S	Bend	trans	86.9	-158.3	-178.2	0	0	0	0	0	113	I131	G129-I131 VanDerWaalsContact C-N 3.3Å; G129-I131 PolarHBondContact O-N 3.09Å
130	N	92.1	Very high	95.6	Very high	110 Å²	110	44.9 Å²	44.9	59%	0.588	26%	0.257	S	S	*	.			trans	-82.6	77.1	-178.9	-168.5	-18	0	0	0	110.9	I132 K133 L134	N130-I132 VanDerWaalsContact C-N 3.33Å; N130-I132 PolarHBondContact O-N 3.36Å; N130-K133 HydrophobicContact CB-CB 4.06Å; N130-K133 PolarHBondContact O-N 3.31Å; N130-K133 VanDerWaalsContact OD1-CB 3.31Å; N130-K133 WeakPolarHBondContact OD1-CB 3.37Å; N130-K133 PolarHBondContact OD1-N 3.04Å; N130-L134 PolarHBondContact O-N 3.4Å
131	I	93.5	Very high	95.6	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-37.9	-175.1	-67.1	-52	0	0	0	112.8	F125 Q128 G129 L134 A135	F125-I131 HydrophobicContact CB-CG2 3.25Å; F125-I131 HydrophobicContact CD1-CG2 4.3Å; F125-I131 HydrophobicContact CG-CG2 4.16Å; Q128-I131 VanDerWaalsContact O-CD1 3.32Å; Q128-I131 WeakPolarHBondContact O-CD1 3.39Å; G129-I131 VanDerWaalsContact C-N 3.3Å; G129-I131 PolarHBondContact O-N 3.09Å; I131-L134 HydrophobicContact CD1-CD2 4.35Å; I131-L134 PolarHBondContact O-N 3.15Å; I131-A135 WeakPolarHBondContact O-CB 3.39Å; I131-A135 PolarHBondContact O-N 3.12Å
132	I	95.1	Very high	95.6	Very high	81 Å²	81	43.6 Å²	43.6	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-45.9	176.9	-62.8	174.2	0	0	0	110.1	N130 A135 N136 T145	N130-I132 VanDerWaalsContact C-N 3.33Å; N130-I132 PolarHBondContact O-N 3.36Å; I132-A135 PolarHBondContact O-N 2.99Å; I132-N136 WeakPolarHBondContact O-CB 3.26Å; I132-N136 PolarHBondContact O-N 3.48Å; I132-N136 PolarHBondContact O-ND2 2.81Å; I132-T145 HydrophobicContact CD1-CG2 4.11Å; I132-T145 HydrophobicContact CG1-CG2 3.89Å
133	K	94.5	Very high	95.6	Very high	77 Å²	77	44.4 Å²	44.4	34%	0.335	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-47.8	175.7	-175	-170	-178.4	-58.8	0	111.3	N130 A135 N136 D137	N130-K133 HydrophobicContact CB-CB 4.06Å; N130-K133 PolarHBondContact O-N 3.31Å; N130-K133 VanDerWaalsContact OD1-CB 3.31Å; N130-K133 WeakPolarHBondContact OD1-CB 3.37Å; N130-K133 PolarHBondContact OD1-N 3.04Å; K133-A135 VanDerWaalsContact C-N 3.32Å; K133-A135 PolarHBondContact O-N 3.39Å; K133-N136 PolarHBondContact O-N 2.97Å; K133-D137 IonicContact NZ-OD1 2.93Å; K133-D137 PolarHBondContact NZ-OD1 2.81Å; K133-D137 IonicContact NZ-OD2 3.38Å; K133-D137 PolarHBondContact NZ-OD2 3.46Å; K133-D137 WeakPolarHBondContact O-CB 3.22Å; K133-D137 PolarHBondContact O-N 2.99Å
134	L	94.4	Very high	95.5	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-55.7	-47.8	178.2	172.8	64.6	0	0	0	111.5	P109 N130 I131 D137 L138 T186	P109-L134 HydrophobicContact CG-CD1 4.13Å; P109-L134 HydrophobicContact CG-CD2 4.14Å; N130-L134 PolarHBondContact O-N 3.4Å; I131-L134 HydrophobicContact CD1-CD2 4.35Å; I131-L134 PolarHBondContact O-N 3.15Å; L134-D137 PolarHBondContact O-N 3.25Å; L134-L138 HydrophobicContact CD1-CD1 3.94Å; L134-L138 HydrophobicContact CD1-CG 4.41Å; L134-L138 HydrophobicContact CG-CD1 4.05Å; L134-L138 WeakPolarHBondContact O-CD1 3.39Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.32Å; L134-L138 VanDerWaalsContact O-N 3.13Å; L134-T186 HydrophobicContact CD2-CG2 3.93Å
135	A	96.4	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-44	179.7	0	0	0	0	0	111.9	F125 I131 I132 K133 L138 G139 F140 V143	F125-A135 HydrophobicContact CD1-CB 3.81Å; F125-A135 HydrophobicContact CD2-CB 3.97Å; F125-A135 HydrophobicContact CE1-CB 3.61Å; F125-A135 HydrophobicContact CE2-CB 3.76Å; F125-A135 HydrophobicContact CG-CB 3.99Å; F125-A135 HydrophobicContact CZ-CB 3.57Å; I131-A135 WeakPolarHBondContact O-CB 3.39Å; I131-A135 PolarHBondContact O-N 3.12Å; I132-A135 PolarHBondContact O-N 2.99Å; K133-A135 VanDerWaalsContact C-N 3.32Å; K133-A135 PolarHBondContact O-N 3.39Å; A135-L138 PolarHBondContact O-N 3.1Å; A135-G139 PolarHBondContact O-N 3.33Å; A135-F140 HydrophobicContact CB-CB 4.23Å; A135-F140 WeakPolarHBondContact O-CB 3.26Å; A135-F140 WeakPolarHBondContact O-CD2 3.35Å; A135-F140 PolarHBondContact O-N 2.92Å; A135-V143 HydrophobicContact CB-CB 4.3Å; A135-V143 HydrophobicContact CB-CG1 3.84Å; A135-V143 HydrophobicContact CB-CG2 3.46Å; A135-V143 VanDerWaalsContact CB-CG2 3.46Å
136	N	96.1	Very high	95.3	Very high	84 Å²	84	46.6 Å²	46.6	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-42.8	176.8	-68	-17.5	0	0	0	112.1	I132 K133 L138 G139 F140	I132-N136 WeakPolarHBondContact O-CB 3.26Å; I132-N136 PolarHBondContact O-N 3.48Å; I132-N136 PolarHBondContact O-ND2 2.81Å; K133-N136 PolarHBondContact O-N 2.97Å; N136-L138 PolarHBondContact O-N 3.26Å; N136-G139 PolarHBondContact O-N 3.17Å; N136-F140 PolarHBondContact OD1-O 2.91Å; N136-F140 VanDerWaalsContact OD1-O 3.12Å
137	D	94.3	Very high	95.1	Very high	101 Å²	101	52.1 Å²	52.1	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-31.2	176.5	-67	-20.7	0	0	0	111.6	K133 L134 G139	K133-D137 IonicContact NZ-OD1 2.93Å; K133-D137 PolarHBondContact NZ-OD1 2.81Å; K133-D137 IonicContact NZ-OD2 3.38Å; K133-D137 PolarHBondContact NZ-OD2 3.46Å; K133-D137 WeakPolarHBondContact O-CB 3.22Å; K133-D137 PolarHBondContact O-N 2.99Å; L134-D137 PolarHBondContact O-N 3.25Å; D137-G139 VanDerWaalsContact C-N 3.3Å
138	L	95.8	Very high	95.2	Very high	18 Å²	18	54.6 Å²	54.6	9%	0.094	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9	175.5	-66.2	166.6	0	0	0	113.3	P109 L112 S113 H119 L134 A135 N136 F140	P109-L138 HydrophobicContact CB-CD1 4.14Å; L112-L138 HydrophobicContact CB-CD1 4.25Å; L112-L138 HydrophobicContact CD1-CD1 4.23Å; S113-L138 WeakPolarHBondContact CA-O 3.48Å; H119-L138 PolarHBondContact CE1-O 2.9Å; H119-L138 PolarHBondContact NE2-O 2.88Å; L134-L138 HydrophobicContact CD1-CD1 3.94Å; L134-L138 HydrophobicContact CD1-CG 4.41Å; L134-L138 HydrophobicContact CG-CD1 4.05Å; L134-L138 WeakPolarHBondContact O-CD1 3.39Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.32Å; L134-L138 VanDerWaalsContact O-N 3.13Å; A135-L138 PolarHBondContact O-N 3.1Å; N136-L138 PolarHBondContact O-N 3.26Å; L138-F140 HydrophobicContact CB-CD2 4.02Å; L138-F140 HydrophobicContact CB-CE2 4.14Å
139	G	97.1	Very high	95.5	Very high	30 Å²	30	49.4 Å²	49.4	31%	0.309	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	4.6	176.5	0	0	0	0	0	115.8	H119 A135 N136 D137	H119-G139 WeakPolarHBondContact CB-O 3.34Å; A135-G139 PolarHBondContact O-N 3.33Å; N136-G139 PolarHBondContact O-N 3.17Å; D137-G139 VanDerWaalsContact C-N 3.3Å
140	F	98.2	Very high	95.6	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.013	26%	0.259	C	S	.	.			trans	-76.8	137.3	177.4	-67.3	-104.9	0	0	0	110.9	L112 H119 V123 F125 A135 N136 L138 V143 I184	L112-F140 HydrophobicContact CB-CE2 3.95Å; L112-F140 HydrophobicContact CB-CZ 4.23Å; H119-F140 AromaticContact CD2-CD2 3.9Å; H119-F140 AromaticContact CD2-CE2 3.64Å; H119-F140 AromaticContact CD2-CZ 3.73Å; H119-F140 AromaticContact NE2-CE2 3.62Å; H119-F140 CarbonylContact O-C 3.6Å; H119-F140 WeakPolarHBondContact O-CA 3.37Å; V123-F140 HydrophobicContact CB-CD1 4.3Å; V123-F140 HydrophobicContact CG1-CE1 4.41Å; V123-F140 HydrophobicContact CG2-CD1 4.08Å; V123-F140 HydrophobicContact CG2-CE1 4.15Å; F125-F140 HydrophobicContact CE2-CB 4.17Å; F125-F140 AromaticContact CE2-CD1 3.59Å; F125-F140 HydrophobicContact CE2-CD1 3.59Å; F125-F140 HydrophobicContact CE2-CD2 4.21Å; F125-F140 AromaticContact CE2-CE1 3.95Å; F125-F140 HydrophobicContact CE2-CE1 3.95Å; F125-F140 AromaticContact CE2-CG 3.73Å; F125-F140 HydrophobicContact CE2-CG 3.73Å; F125-F140 HydrophobicContact CE2-CZ 4.42Å; F125-F140 HydrophobicContact CZ-CB 4.29Å; F125-F140 AromaticContact CZ-CD1 3.75Å; F125-F140 HydrophobicContact CZ-CD1 3.75Å; F125-F140 AromaticContact CZ-CD2 3.58Å; F125-F140 HydrophobicContact CZ-CD2 3.58Å; F125-F140 AromaticContact CZ-CE1 3.86Å; F125-F140 HydrophobicContact CZ-CE1 3.86Å; F125-F140 AromaticContact CZ-CE2 3.74Å; F125-F140 HydrophobicContact CZ-CE2 3.74Å; F125-F140 AromaticContact CZ-CG 3.6Å; F125-F140 HydrophobicContact CZ-CG 3.6Å; F125-F140 AromaticContact CZ-CZ 3.87Å; F125-F140 HydrophobicContact CZ-CZ 3.87Å; A135-F140 HydrophobicContact CB-CB 4.23Å; A135-F140 WeakPolarHBondContact O-CB 3.26Å; A135-F140 WeakPolarHBondContact O-CD2 3.35Å; A135-F140 PolarHBondContact O-N 2.92Å; N136-F140 PolarHBondContact OD1-O 2.91Å; N136-F140 VanDerWaalsContact OD1-O 3.12Å; L138-F140 HydrophobicContact CB-CD2 4.02Å; L138-F140 HydrophobicContact CB-CE2 4.14Å; F140-V143 HydrophobicContact CB-CG2 3.8Å; F140-I184 HydrophobicContact CD1-CD1 4.47Å; F140-I184 HydrophobicContact CE1-CD1 3.48Å; F140-I184 VanDerWaalsContact CE1-CD1 3.48Å; F140-I184 HydrophobicContact CE2-CD1 4.36Å; F140-I184 HydrophobicContact CZ-CD1 3.42Å; F140-I184 VanDerWaalsContact CZ-CD1 3.42Å
141	T	97.7	Very high	95.7	Very high	82 Å²	82	44.3 Å²	44.3	50%	0.503	24%	0.243	S	C	.	.	S	Bend	trans	-111	-27.7	-173.5	61.9	0	0	0	0	113.4	H119 D120	H119-T141 PolarHBondContact O-N 3.31Å; H119-T141 PolarHBondContact O-OG1 2.95Å; H119-T141 VanDerWaalsContact O-OG1 3.13Å; D120-T141 PolarHBondContact OD1-OG1 3.24Å
142	N	97.3	Very high	95.7	Very high	72 Å²	72	43.9 Å²	43.9	39%	0.385	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	69.6	-177.6	-68.2	-42.7	0	0	0	111.1	D120 K121 C122 V123	D120-N142 PolarHBondContact O-ND2 2.85Å; K121-N142 WeakPolarHBondContact O-CB 3.42Å; C122-N142 WeakPolarHBondContact CA-O 3.32Å; V123-N142 PolarHBondContact N-O 2.79Å
143	V	97.5	Very high	95.7	Very high	27 Å²	27	41.7 Å²	41.7	16%	0.164	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133.6	-174.7	-174.8	0	0	0	0	110.8	F125 A135 F140	F125-V143 HydrophobicContact CB-CG1 4.2Å; F125-V143 HydrophobicContact CD2-CG1 3.81Å; F125-V143 HydrophobicContact CE2-CG2 4.49Å; F125-V143 HydrophobicContact CG-CG1 4.2Å; A135-V143 HydrophobicContact CB-CB 4.3Å; A135-V143 HydrophobicContact CB-CG1 3.84Å; A135-V143 HydrophobicContact CB-CG2 3.46Å; A135-V143 VanDerWaalsContact CB-CG2 3.46Å; F140-V143 HydrophobicContact CB-CG2 3.8Å
144	V	97.4	Very high	95.5	Very high	15 Å²	15	38.5 Å²	38.5	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.5	175.3	176.9	0	0	0	0	108.7	C122 V123 L124 F125 D148 V149 M177 I180	C122-V144 VanDerWaalsContact SG-CG2 3.59Å; V123-V144 PolarHBondContact O-N 3.37Å; L124-V144 WeakPolarHBondContact CA-O 3.45Å; L124-V144 HydrophobicContact CD1-CG1 4.39Å; L124-V144 WeakPolarHBondContact CD1-O 3.43Å; F125-V144 PolarHBondContact N-O 3.47Å; V144-D148 HydrophobicContact CG1-CB 3.7Å; V144-V149 HydrophobicContact CG1-CG2 4.08Å; V144-M177 HydrophobicContact CG1-SD 4.04Å; V144-I180 HydrophobicContact CG1-CD1 4.45Å
145	T	96.9	Very high	95.4	Very high	17 Å²	17	43.5 Å²	43.5	10%	0.104	24%	0.242	C	C	.	.			trans	-109.6	172.6	172.8	77.6	0	0	0	0	112.2	L124 I132 E147 D148 V149	L124-T145 VanDerWaalsContact CD1-C 3.45Å; I132-T145 HydrophobicContact CD1-CG2 4.11Å; I132-T145 HydrophobicContact CG1-CG2 3.89Å; T145-E147 WeakPolarHBondContact CB-OE2 3.47Å; T145-E147 PolarHBondContact O-N 3.46Å; T145-E147 PolarHBondContact OG1-N 3.28Å; T145-E147 PolarHBondContact OG1-OE2 2.69Å; T145-D148 PolarHBondContact N-OD2 3.23Å; T145-D148 WeakPolarHBondContact O-CB 3.21Å; T145-D148 PolarHBondContact O-N 3.4Å; T145-V149 PolarHBondContact O-N 3.41Å
146	L	95.3	Very high	95.2	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-32.1	174.9	-73.5	175.4	0	0	0	112.1	L124 I126 D148 V149 Q150 S195 L198	L124-L146 HydrophobicContact CD1-CD2 4.34Å; L124-L146 HydrophobicContact CD2-CD2 4.17Å; I126-L146 HydrophobicContact CD1-CD1 4.15Å; I126-L146 HydrophobicContact CD1-CD2 3.85Å; I126-L146 HydrophobicContact CD1-CG 4.05Å; I126-L146 HydrophobicContact CG1-CD1 4.35Å; I126-L146 HydrophobicContact CG1-CD2 4.36Å; I126-L146 HydrophobicContact CG1-CG 4.11Å; I126-L146 HydrophobicContact CG2-CD1 4.07Å; L146-D148 VanDerWaalsContact C-N 3.31Å; L146-D148 PolarHBondContact O-N 3.07Å; L146-V149 PolarHBondContact O-N 3.14Å; L146-Q150 WeakPolarHBondContact O-CG 3.23Å; L146-Q150 PolarHBondContact O-N 3.13Å; L146-S195 WeakPolarHBondContact CD1-OG 3.31Å; L146-L198 HydrophobicContact CB-CD1 4.39Å; L146-L198 HydrophobicContact CD2-CB 4Å; L146-L198 HydrophobicContact CD2-CD1 3.94Å
147	E	93.6	Very high	94.9	Very high	121 Å²	121	41.5 Å²	41.5	57%	0.565	23%	0.231	S	C	*	.	H	α-helix	trans	-64.1	-36.7	175.2	-62.3	75.4	-165.9	0	0	112.1	T145 Q150 A151	T145-E147 WeakPolarHBondContact CB-OE2 3.47Å; T145-E147 PolarHBondContact O-N 3.46Å; T145-E147 PolarHBondContact OG1-N 3.28Å; T145-E147 PolarHBondContact OG1-OE2 2.69Å; E147-Q150 PolarHBondContact O-N 2.64Å; E147-A151 WeakPolarHBondContact O-CB 3.36Å; E147-A151 PolarHBondContact O-N 2.83Å
148	D	95.8	Very high	94.7	Very high	69 Å²	69	38.6 Å²	38.6	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-66.3	-41.7	174	-65	-43.8	0	0	0	111.1	V144 T145 L146 A151 A152	V144-D148 HydrophobicContact CG1-CB 3.7Å; T145-D148 PolarHBondContact N-OD2 3.23Å; T145-D148 WeakPolarHBondContact O-CB 3.21Å; T145-D148 PolarHBondContact O-N 3.4Å; L146-D148 VanDerWaalsContact C-N 3.31Å; L146-D148 PolarHBondContact O-N 3.07Å; D148-A151 PolarHBondContact O-N 3Å; D148-A152 WeakPolarHBondContact O-CB 3.46Å; D148-A152 PolarHBondContact O-N 3.22Å
149	V	96	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.1	179.1	0	0	0	0	110.7	L124 V144 T145 L146 A151 A152 Y153 M177 I180 L198 L202	L124-V149 HydrophobicContact CD1-CG2 4.22Å; L124-V149 HydrophobicContact CD2-CG2 4.5Å; V144-V149 HydrophobicContact CG1-CG2 4.08Å; T145-V149 PolarHBondContact O-N 3.41Å; L146-V149 PolarHBondContact O-N 3.14Å; V149-A151 VanDerWaalsContact C-N 3.32Å; V149-A151 PolarHBondContact O-N 3.3Å; V149-A152 PolarHBondContact O-N 3.28Å; V149-Y153 HydrophobicContact CG1-CD2 4.24Å; V149-Y153 PolarHBondContact O-N 3.46Å; V149-M177 HydrophobicContact CG2-CE 4.29Å; V149-M177 HydrophobicContact CG2-SD 4.09Å; V149-I180 HydrophobicContact CG2-CD1 3.79Å; V149-L198 HydrophobicContact CG1-CD2 4.24Å; V149-L202 HydrophobicContact CG1-CD1 4.37Å; V149-L202 HydrophobicContact CG2-CD1 4.3Å
150	Q	93.4	Very high	93.9	Very high	47 Å²	47	40.4 Å²	40.4	22%	0.22	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-40.1	175.4	-72.5	167.3	-30.2	0	0	111.8	L146 E147 A152 Y153 P154 D157 L198	L146-Q150 WeakPolarHBondContact O-CG 3.23Å; L146-Q150 PolarHBondContact O-N 3.13Å; E147-Q150 PolarHBondContact O-N 2.64Å; Q150-A152 VanDerWaalsContact C-N 3.32Å; Q150-A152 PolarHBondContact O-N 3.03Å; Q150-Y153 CarbonylContact O-C 3.31Å; Q150-Y153 VanDerWaalsContact O-C 3.31Å; Q150-Y153 PolarHBondContact O-N 3.42Å; Q150-P154 WeakPolarHBondContact O-CA 3.28Å; Q150-P154 VanDerWaalsContact O-N 3.14Å; Q150-D157 HydrophobicContact CG-CB 4.11Å; Q150-D157 PolarHBondContact NE2-OD2 3.15Å; Q150-L198 HydrophobicContact CG-CD1 3.68Å
151	A	93.2	Very high	93.3	Very high	31 Å²	31	46 Å²	46	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-69.4	-30.8	177.8	0	0	0	0	0	112.8	E147 D148 V149 K175	E147-A151 WeakPolarHBondContact O-CB 3.36Å; E147-A151 PolarHBondContact O-N 2.83Å; D148-A151 PolarHBondContact O-N 3Å; V149-A151 VanDerWaalsContact C-N 3.32Å; V149-A151 PolarHBondContact O-N 3.3Å; A151-K175 HydrophobicContact CB-CD 3.97Å; A151-K175 HydrophobicContact CB-CG 4.38Å; A151-K175 PolarHBondContact O-N 2.81Å
152	A	94.9	Very high	92.8	Very high	6 Å²	6	48.8 Å²	48.8	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-79.3	-33	175	0	0	0	0	0	112.8	D148 V149 Q150 P174 K175 M177	D148-A152 WeakPolarHBondContact O-CB 3.46Å; D148-A152 PolarHBondContact O-N 3.22Å; V149-A152 PolarHBondContact O-N 3.28Å; Q150-A152 VanDerWaalsContact C-N 3.32Å; Q150-A152 PolarHBondContact O-N 3.03Å; A152-P174 WeakPolarHBondContact O-CB 3.44Å; A152-K175 VanDerWaalsContact CA-O 3.3Å; A152-K175 WeakPolarHBondContact CA-O 3.47Å; A152-K175 WeakPolarHBondContact CB-O 3.48Å; A152-M177 HydrophobicContact CB-CB 3.62Å; A152-M177 HydrophobicContact CB-CG 4.3Å; A152-M177 HydrophobicContact CB-SD 3.87Å
153	Y	93.8	Very high	92.2	Very high	34 Å²	34	48 Å²	48	13%	0.133	25%	0.246	C	C	.	.			trans	-134.9	72.1	-176.7	-54.7	-81.2	0	0	0	112.1	V149 Q150 L155 L156 M177 P209 D210	V149-Y153 HydrophobicContact CG1-CD2 4.24Å; V149-Y153 PolarHBondContact O-N 3.46Å; Q150-Y153 CarbonylContact O-C 3.31Å; Q150-Y153 VanDerWaalsContact O-C 3.31Å; Q150-Y153 PolarHBondContact O-N 3.42Å; Y153-L155 PolarHBondContact O-N 3.37Å; Y153-L156 HydrophobicContact CD1-CD1 4.45Å; Y153-L156 HydrophobicContact CD2-CD1 4.27Å; Y153-L156 HydrophobicContact CG-CD1 3.8Å; Y153-L156 HydrophobicContact CG-CG 4.47Å; Y153-L156 PolarHBondContact O-N 3.29Å; Y153-M177 HydrophobicContact CD2-CE 4.38Å; Y153-M177 HydrophobicContact CE2-CE 3.6Å; Y153-M177 HydrophobicContact CE2-SD 4.4Å; Y153-P209 HydrophobicContact CD1-CG 4.15Å; Y153-P209 HydrophobicContact CD2-CG 3.8Å; Y153-P209 HydrophobicContact CE1-CG 4.05Å; Y153-P209 HydrophobicContact CE2-CG 3.69Å; Y153-P209 HydrophobicContact CG-CG 4.03Å; Y153-D210 WeakPolarHBondContact CE1-OD1 3.34Å; Y153-D210 PolarHBondContact OH-OD1 3.28Å
154	P	90.6	Very high	91.9	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.071	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.7	-170.4	-21.2	32.2	0	0	0	114.9	Q150 I167 P172	Q150-P154 WeakPolarHBondContact O-CA 3.28Å; Q150-P154 VanDerWaalsContact O-N 3.14Å; P154-I167 HydrophobicContact CB-CD1 4.05Å; P154-I167 HydrophobicContact CB-CG2 4.38Å; P154-P172 HydrophobicContact CB-CG 3.55Å; P154-P172 HydrophobicContact CG-CG 3.58Å
155	L	91.4	Very high	91.5	Very high	129 Å²	129	57.6 Å²	57.6	68%	0.675	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.4	-179.1	-62.5	178.1	0	0	0	113.8	Y153 M158 I167	Y153-L155 PolarHBondContact O-N 3.37Å; L155-M158 HydrophobicContact CD2-CE 4.14Å; L155-M158 WeakPolarHBondContact O-CG 3.08Å; L155-I167 HydrophobicContact CD2-CG2 3.8Å
156	L	92.3	Very high	91.2	Very high	39 Å²	39	60.3 Å²	60.3	20%	0.204	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-41	179	-63.2	-179.2	0	0	0	111.9	Y153 M158 Q197 L198 P209	Y153-L156 HydrophobicContact CD1-CD1 4.45Å; Y153-L156 HydrophobicContact CD2-CD1 4.27Å; Y153-L156 HydrophobicContact CG-CD1 3.8Å; Y153-L156 HydrophobicContact CG-CG 4.47Å; Y153-L156 PolarHBondContact O-N 3.29Å; L156-M158 PolarHBondContact O-N 2.96Å; L156-M158 VanDerWaalsContact O-N 3.15Å; L156-Q197 VanDerWaalsContact O-CG 3.23Å; L156-Q197 WeakPolarHBondContact O-CG 3.47Å; L156-L198 HydrophobicContact CB-CD2 3.51Å; L156-L198 HydrophobicContact CD1-CD2 4.38Å; L156-P209 HydrophobicContact CD1-CB 3.75Å; L156-P209 HydrophobicContact CD1-CG 3.61Å
157	D	90.4	Very high	90.9	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	30%	0.296	C	S	.	.			trans	-90.4	74.4	178.1	-174.4	12.3	0	0	0	111.9	Q150 V159 H163 S194 L198	Q150-D157 HydrophobicContact CG-CB 4.11Å; Q150-D157 PolarHBondContact NE2-OD2 3.15Å; D157-V159 WeakPolarHBondContact OD1-CG2 3.27Å; D157-H163 PolarHBondContact O-CD2 2.94Å; D157-S194 VanDerWaalsContact CG-OG 3.27Å; D157-S194 WeakPolarHBondContact OD1-CB 3.26Å; D157-S194 PolarHBondContact OD1-OG 2.96Å; D157-S194 VanDerWaalsContact OD2-CB 3.26Å; D157-S194 WeakPolarHBondContact OD2-CB 3.27Å; D157-S194 PolarHBondContact OD2-OG 2.81Å; D157-S194 VanDerWaalsContact OD2-OG 3.1Å; D157-L198 HydrophobicContact CB-CD1 4.32Å; D157-L198 HydrophobicContact CB-CD2 4.13Å; D157-L198 HydrophobicContact CB-CG 4.33Å
158	M	90.9	Very high	90.6	Very high	39 Å²	39	59.5 Å²	59.5	19%	0.192	30%	0.295	C	S	.	.			trans	-104.2	8.5	179.3	-64.9	-64.1	-99.1	0	0	112.9	L155 L156 R164 I167 I168	L155-M158 HydrophobicContact CD2-CE 4.14Å; L155-M158 WeakPolarHBondContact O-CG 3.08Å; L156-M158 PolarHBondContact O-N 2.96Å; L156-M158 VanDerWaalsContact O-N 3.15Å; M158-R164 HydrophobicContact CE-CB 4.3Å; M158-R164 HydrophobicContact CE-CG 3.6Å; M158-R164 PolarHBondContact O-NE 3.41Å; M158-R164 PolarHBondContact O-NH2 2.86Å; M158-R164 HydrophobicContact SD-CB 4.19Å; M158-R164 HydrophobicContact SD-CG 4.06Å; M158-I167 HydrophobicContact CE-CB 4.4Å; M158-I167 HydrophobicContact CE-CG2 4.26Å; M158-I167 HydrophobicContact SD-CB 4.28Å; M158-I167 HydrophobicContact SD-CG2 4.32Å; M158-I168 HydrophobicContact CE-CD1 4.38Å; M158-I168 HydrophobicContact CE-CG1 4.09Å
159	V	89.7	Confident	90.4	Very high	51 Å²	51	61.9 Å²	61.9	31%	0.309	31%	0.308	S	S	.	.			trans	-74.3	-34.7	-177.2	-64.6	0	0	0	0	112.6	D157 H161 E193 S194 Q197	D157-V159 WeakPolarHBondContact OD1-CG2 3.27Å; V159-H161 PolarHBondContact O-N 3.48Å; V159-E193 HydrophobicContact CB-CG 4.46Å; V159-E193 HydrophobicContact CG2-CB 4.07Å; V159-E193 HydrophobicContact CG2-CG 3.77Å; V159-S194 WeakPolarHBondContact CG2-OG 3.37Å; V159-Q197 HydrophobicContact CG1-CB 4.39Å; V159-Q197 HydrophobicContact CG1-CG 4.45Å
160	D	85.8	Confident	90.1	Very high	35 Å²	35	67.7 Å²	67.7	19%	0.187	34%	0.339	C	S	.	.	S	Bend	trans	-73.5	114.3	172.7	180	-21.8	0	0	0	109.8	E162 H163 R164 K191	D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.42Å; D160-E162 WeakPolarHBondContact OD1-CB 3.39Å; D160-E162 PolarHBondContact OD1-N 3.39Å; D160-H163 HydrophobicContact CB-CB 3.76Å; D160-H163 PolarHBondContact O-N 3.18Å; D160-H163 PolarHBondContact OD1-N 2.95Å; D160-R164 VanDerWaalsContact O-CB 3.29Å; D160-R164 WeakPolarHBondContact O-CB 3.34Å; D160-R164 PolarHBondContact O-N 3.13Å; D160-K191 IonicContact OD2-NZ 3.22Å; D160-K191 PolarHBondContact OD2-NZ 3.31Å
161	H	86.4	Confident	89.8	Confident	122 Å²	122	70.2 Å²	70.2	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-62.6	-32.2	-177.8	-71.7	-43.6	0	0	0	113.8	V159 R165	V159-H161 PolarHBondContact O-N 3.48Å; H161-R165 WeakPolarHBondContact O-CG 3.48Å; H161-R165 PolarHBondContact O-N 3.01Å; H161-R165 PolarHBondContact O-NE 3.38Å
162	E	86.3	Confident	89.6	Confident	140 Å²	140	71.6 Å²	71.6	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-71.7	-45.7	176.6	-68.8	-174.2	168.7	0	0	110.3	D160 R165 C166	D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.42Å; D160-E162 WeakPolarHBondContact OD1-CB 3.39Å; D160-E162 PolarHBondContact OD1-N 3.39Å; E162-R165 PolarHBondContact O-N 3.29Å; E162-C166 PolarHBondContact O-N 3.41Å; E162-C166 VanDerWaalsContact O-N 3.08Å
163	H	85.4	Confident	89.4	Confident	55 Å²	55	77.4 Å²	77.4	26%	0.255	40%	0.401	S	S	.	.	H	α-helix	trans	-58.8	-49.6	174.7	-169.2	81.4	0	0	0	111.3	D157 D160 R165 C166 I167	D157-H163 PolarHBondContact O-CD2 2.94Å; D160-H163 HydrophobicContact CB-CB 3.76Å; D160-H163 PolarHBondContact O-N 3.18Å; D160-H163 PolarHBondContact OD1-N 2.95Å; H163-R165 VanDerWaalsContact C-N 3.31Å; H163-R165 PolarHBondContact O-N 3.47Å; H163-C166 WeakPolarHBondContact O-CA 3.33Å; H163-C166 VanDerWaalsContact O-CB 3.29Å; H163-C166 WeakPolarHBondContact O-CB 3.49Å; H163-C166 PolarHBondContact O-N 3.11Å; H163-I167 WeakPolarHBondContact NE2-CG1 3.43Å; H163-I167 WeakPolarHBondContact O-CG1 3.33Å; H163-I167 PolarHBondContact O-N 3.28Å
164	R	89.9	Confident	89.3	Confident	97 Å²	97	79.6 Å²	79.6	37%	0.366	42%	0.419	S	S	.	.	H	α-helix	trans	-52	-46.8	176.8	-175.9	-171.7	-64.7	-167.2	-2.4	112.2	M158 D160 C166 I167 I168	M158-R164 HydrophobicContact CE-CB 4.3Å; M158-R164 HydrophobicContact CE-CG 3.6Å; M158-R164 PolarHBondContact O-NE 3.41Å; M158-R164 PolarHBondContact O-NH2 2.86Å; M158-R164 HydrophobicContact SD-CB 4.19Å; M158-R164 HydrophobicContact SD-CG 4.06Å; D160-R164 VanDerWaalsContact O-CB 3.29Å; D160-R164 WeakPolarHBondContact O-CB 3.34Å; D160-R164 PolarHBondContact O-N 3.13Å; R164-C166 VanDerWaalsContact C-N 3.35Å; R164-I167 PolarHBondContact O-N 2.95Å; R164-I168 HydrophobicContact CG-CD1 3.86Å; R164-I168 VanDerWaalsContact O-CG1 3.29Å; R164-I168 WeakPolarHBondContact O-CG1 3Å; R164-I168 PolarHBondContact O-N 3.47Å
165	R	90.5	Very high	89.3	Confident	146 Å²	146	85.6 Å²	85.6	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-64.4	-39.3	177.9	-76.7	-174.6	-66.4	-129.8	2.4	112	H161 E162 H163 N169	H161-R165 WeakPolarHBondContact O-CG 3.48Å; H161-R165 PolarHBondContact O-N 3.01Å; H161-R165 PolarHBondContact O-NE 3.38Å; E162-R165 PolarHBondContact O-N 3.29Å; H163-R165 VanDerWaalsContact C-N 3.31Å; H163-R165 PolarHBondContact O-N 3.47Å; R165-N169 WeakPolarHBondContact O-CB 3.46Å; R165-N169 VanDerWaalsContact O-CG 3.3Å; R165-N169 PolarHBondContact O-N 3.47Å; R165-N169 VanDerWaalsContact O-N 3.11Å; R165-N169 PolarHBondContact O-ND2 2.9Å; R165-N169 VanDerWaalsContact O-ND2 3.15Å
166	C	88.9	Confident	89.4	Confident	74 Å²	74	86 Å²	86	50%	0.5	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-49.6	176.7	-169.3	0	0	0	0	111.2	E162 H163 R164 I168 N169 N170	E162-C166 PolarHBondContact O-N 3.41Å; E162-C166 VanDerWaalsContact O-N 3.08Å; H163-C166 WeakPolarHBondContact O-CA 3.33Å; H163-C166 VanDerWaalsContact O-CB 3.29Å; H163-C166 WeakPolarHBondContact O-CB 3.49Å; H163-C166 PolarHBondContact O-N 3.11Å; R164-C166 VanDerWaalsContact C-N 3.35Å; C166-I168 PolarHBondContact O-N 3.08Å; C166-N169 PolarHBondContact O-N 2.82Å; C166-N170 PolarHBondContact O-N 3.36Å
167	I	89.4	Confident	89.5	Confident	13 Å²	13	86.3 Å²	86.3	7%	0.067	46%	0.455	C	S	.	.	H	α-helix	trans	-63.8	-41.7	-179.8	-61.4	-59.2	0	0	0	112	P154 L155 M158 H163 R164 N170 P171 P172	P154-I167 HydrophobicContact CB-CD1 4.05Å; P154-I167 HydrophobicContact CB-CG2 4.38Å; L155-I167 HydrophobicContact CD2-CG2 3.8Å; M158-I167 HydrophobicContact CE-CB 4.4Å; M158-I167 HydrophobicContact CE-CG2 4.26Å; M158-I167 HydrophobicContact SD-CB 4.28Å; M158-I167 HydrophobicContact SD-CG2 4.32Å; H163-I167 WeakPolarHBondContact NE2-CG1 3.43Å; H163-I167 WeakPolarHBondContact O-CG1 3.33Å; H163-I167 PolarHBondContact O-N 3.28Å; R164-I167 PolarHBondContact O-N 2.95Å; I167-N170 CarbonylContact O-C 3.31Å; I167-N170 VanDerWaalsContact O-C 3.31Å; I167-P171 WeakPolarHBondContact O-CA 3.23Å; I167-P171 WeakPolarHBondContact O-CD 3.42Å; I167-P171 WeakPolarHBondContact O-CG 3.5Å; I167-P172 HydrophobicContact CD1-CG 3.72Å
168	I	88.6	Confident	89.7	Confident	108 Å²	108	93.2 Å²	93.2	55%	0.554	49%	0.485	S	S	*	.	H	α-helix	trans	-65.4	-43	178.8	-70.4	168.7	0	0	0	111.5	M158 R164 C166	M158-I168 HydrophobicContact CE-CD1 4.38Å; M158-I168 HydrophobicContact CE-CG1 4.09Å; R164-I168 HydrophobicContact CG-CD1 3.86Å; R164-I168 VanDerWaalsContact O-CG1 3.29Å; R164-I168 WeakPolarHBondContact O-CG1 3Å; R164-I168 PolarHBondContact O-N 3.47Å; C166-I168 PolarHBondContact O-N 3.08Å
169	N	91.1	Very high	90	Very high	118 Å²	118	96.7 Å²	96.7	63%	0.631	50%	0.496	S	S	*	.	H	α-helix	trans	-76.7	-32	-177.2	-69.8	-28.3	0	0	0	112.4	R165 C166	R165-N169 WeakPolarHBondContact O-CB 3.46Å; R165-N169 VanDerWaalsContact O-CG 3.3Å; R165-N169 PolarHBondContact O-N 3.47Å; R165-N169 VanDerWaalsContact O-N 3.11Å; R165-N169 PolarHBondContact O-ND2 2.9Å; R165-N169 VanDerWaalsContact O-ND2 3.15Å; C166-N169 PolarHBondContact O-N 2.82Å
170	N	90.2	Very high	90.4	Very high	122 Å²	122	94.2 Å²	94.2	65%	0.652	48%	0.481	S	S	*	.	S	Bend	trans	-138.4	80	179.5	-65.5	-51.2	0	0	0	110.3	C166 I167 P172	C166-N170 PolarHBondContact O-N 3.36Å; I167-N170 CarbonylContact O-C 3.31Å; I167-N170 VanDerWaalsContact O-C 3.31Å; N170-P172 VanDerWaalsContact O-CD 3.3Å; N170-P172 WeakPolarHBondContact O-CD 3.31Å
171	P	87.1	Confident	91	Very high	100 Å²	100	96.6 Å²	96.6	65%	0.649	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-61.8	117.4	-179.9	-22.2	32.8	0	0	0	110.8	I167	I167-P171 WeakPolarHBondContact O-CA 3.23Å; I167-P171 WeakPolarHBondContact O-CD 3.42Å; I167-P171 WeakPolarHBondContact O-CG 3.5Å
172	P	87.5	Confident	91.5	Very high	60 Å²	60	90.8 Å²	90.8	39%	0.39	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-72.7	150.9	178.3	29.5	-31.8	0	0	0	109.9	P154 I167 N170 P174	P154-P172 HydrophobicContact CB-CG 3.55Å; P154-P172 HydrophobicContact CG-CG 3.58Å; I167-P172 HydrophobicContact CD1-CG 3.72Å; N170-P172 VanDerWaalsContact O-CD 3.3Å; N170-P172 WeakPolarHBondContact O-CD 3.31Å; P172-P174 VanDerWaalsContact O-CD 3.3Å; P172-P174 WeakPolarHBondContact O-CD 3.49Å
173	T	91.1	Very high	92.1	Very high	129 Å²	129	84.1 Å²	84.1	79%	0.791	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-70.2	121.2	170.8	-55.9	0	0	0	0	109.1	K175	T173-K175 PolarHBondContact O-N 2.74Å
174	P	91.3	Very high	92.8	Very high	79 Å²	79	81.5 Å²	81.5	51%	0.513	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-54.2	133.4	176.8	-29.9	38.7	0	0	0	112.3	A152 P172	A152-P174 WeakPolarHBondContact O-CB 3.44Å; P172-P174 VanDerWaalsContact O-CD 3.3Å; P172-P174 WeakPolarHBondContact O-CD 3.49Å
175	K	92.3	Very high	93.1	Very high	138 Å²	138	76.9 Å²	76.9	60%	0.6	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-82.2	138.1	171.6	-67.3	-173.4	-175.5	172.5	0	110.4	A151 A152 T173 M177	A151-K175 HydrophobicContact CB-CD 3.97Å; A151-K175 HydrophobicContact CB-CG 4.38Å; A151-K175 PolarHBondContact O-N 2.81Å; A152-K175 VanDerWaalsContact CA-O 3.3Å; A152-K175 WeakPolarHBondContact CA-O 3.47Å; A152-K175 WeakPolarHBondContact CB-O 3.48Å; T173-K175 PolarHBondContact O-N 2.74Å; K175-M177 PolarHBondContact O-N 2.7Å
176	P	92.7	Very high	93.4	Very high	138 Å²	138	70 Å²	70	90%	0.896	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-59.9	134.2	171.9	-21.6	32.4	0	0	0	111.2
177	M	93.7	Very high	93.6	Very high	44 Å²	44	66.6 Å²	66.6	22%	0.217	36%	0.355	C	S	.	.			trans	-133.9	143.4	176.7	-163.4	-179.4	82.6	0	0	110.1	V144 V149 A152 Y153 K175 I180	V144-M177 HydrophobicContact CG1-SD 4.04Å; V149-M177 HydrophobicContact CG2-CE 4.29Å; V149-M177 HydrophobicContact CG2-SD 4.09Å; A152-M177 HydrophobicContact CB-CB 3.62Å; A152-M177 HydrophobicContact CB-CG 4.3Å; A152-M177 HydrophobicContact CB-SD 3.87Å; Y153-M177 HydrophobicContact CD2-CE 4.38Å; Y153-M177 HydrophobicContact CE2-CE 3.6Å; Y153-M177 HydrophobicContact CE2-SD 4.4Å; K175-M177 PolarHBondContact O-N 2.7Å; M177-I180 HydrophobicContact CE-CD1 3.6Å; M177-I180 HydrophobicContact CE-CG1 3.95Å
178	K	95	Very high	93.8	Very high	150 Å²	150	68.1 Å²	68.1	65%	0.652	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-74.4	155	171.4	-66.5	-179.4	-179.1	176.4	0	109.3	C122 I180	C122-K178 HydrophobicContact CB-CB 4.5Å; K178-I180 PolarHBondContact O-N 3.49Å
179	R	96.7	Very high	94	Very high	111 Å²	111	63.2 Å²	63.2	42%	0.419	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-52.7	131.8	168.7	177.1	-178.3	-65.1	-94.8	4.5	108.8	C122 D206 K208	C122-R179 WeakPolarHBondContact CB-O 3.42Å; R179-D206 PolarHBondContact NH1-O 3.17Å; R179-D206 IonicContact NH1-OD2 3.43Å; R179-D206 PolarHBondContact NH1-OD2 3.01Å; R179-K208 HydrophobicContact CB-CB 4.42Å; R179-K208 HydrophobicContact CG-CB 4.18Å
180	I	98.1	Very high	94.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-75.5	127.9	171	-70.2	160.3	0	0	0	108	L124 V144 V149 M177 K178 A182 I183 L202 G207 I221	L124-I180 HydrophobicContact CB-CD1 4.06Å; L124-I180 HydrophobicContact CB-CG1 4.4Å; L124-I180 HydrophobicContact CB-CG2 3.82Å; L124-I180 HydrophobicContact CD2-CD1 4.29Å; V144-I180 HydrophobicContact CG1-CD1 4.45Å; V149-I180 HydrophobicContact CG2-CD1 3.79Å; M177-I180 HydrophobicContact CE-CD1 3.6Å; M177-I180 HydrophobicContact CE-CG1 3.95Å; K178-I180 PolarHBondContact O-N 3.49Å; I180-A182 WeakPolarHBondContact CG2-O 3.47Å; I180-I183 HydrophobicContact CG2-CG1 4.31Å; I180-L202 HydrophobicContact CD1-CD1 3.82Å; I180-L202 HydrophobicContact CD1-CD2 3.77Å; I180-L202 HydrophobicContact CD1-CG 4.46Å; I180-G207 PolarHBondContact N-O 3.4Å; I180-G207 WeakPolarHBondContact O-CA 3.39Å; I180-I221 HydrophobicContact CG2-CD1 3.97Å
181	E	98.3	Very high	94.2	Very high	85 Å²	85	60.7 Å²	60.7	40%	0.397	33%	0.328	S	S	.	.			trans	-102.4	-15.2	-174.4	-62.9	175.8	82.9	0	0	112.8	K121 C122 P222	K121-E181 WeakPolarHBondContact CA-OE2 3.16Å; K121-E181 HydrophobicContact CB-CB 4.09Å; K121-E181 HydrophobicContact CD-CB 4.14Å; K121-E181 HydrophobicContact CG-CB 4.47Å; C122-E181 HydrophobicContact CB-CG 4.47Å; C122-E181 PolarHBondContact N-OE2 2.98Å; C122-E181 PolarHBondContact O-N 2.94Å; E181-P222 WeakPolarHBondContact O-CD 3.32Å
182	A	98.4	Very high	94.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	158.2	171.6	0	0	0	0	0	111.3	Y118 V123 L124 I180 P222	Y118-A182 HydrophobicContact CD1-CB 3.68Å; Y118-A182 HydrophobicContact CE1-CB 3.85Å; V123-A182 WeakPolarHBondContact CA-O 3.43Å; V123-A182 HydrophobicContact CG1-CB 4.3Å; V123-A182 HydrophobicContact CG2-CB 4.19Å; L124-A182 PolarHBondContact N-O 3.27Å; I180-A182 WeakPolarHBondContact CG2-O 3.47Å; A182-P222 CarbonylContact C-O 3.54Å; A182-P222 WeakPolarHBondContact CA-O 3.43Å; A182-P222 HydrophobicContact CB-CB 4.13Å
183	I	98.6	Very high	94.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.4	174.8	-61.6	174.1	0	0	0	109	L124 I126 I180 L185 L199 L202 L203 I221 P222 I223 I224	L124-I183 HydrophobicContact CB-CG1 4.33Å; L124-I183 HydrophobicContact CD2-CG1 4.32Å; L124-I183 CarbonylContact O-C 3.56Å; L124-I183 WeakPolarHBondContact O-CA 3.36Å; I126-I183 HydrophobicContact CD1-CG2 4.42Å; I180-I183 HydrophobicContact CG2-CG1 4.31Å; I183-L185 HydrophobicContact CG2-CD2 3.8Å; I183-L185 HydrophobicContact CG2-CG 4.29Å; I183-L199 HydrophobicContact CD1-CD2 3.8Å; I183-L199 HydrophobicContact CG2-CD2 3.67Å; I183-L202 HydrophobicContact CD1-CB 4.33Å; I183-L203 HydrophobicContact CD1-CD2 3.98Å; I183-L203 HydrophobicContact CD1-CG 4.13Å; I183-I221 HydrophobicContact CD1-CD1 3.77Å; I183-I221 HydrophobicContact CD1-CG1 4.3Å; I183-I221 HydrophobicContact CG1-CD1 3.77Å; I183-I221 HydrophobicContact CG1-CG1 4.48Å; I183-P222 PolarHBondContact N-O 2.95Å; I183-I223 HydrophobicContact CB-CB 4.4Å; I183-I223 HydrophobicContact CB-CD1 4.45Å; I183-I223 HydrophobicContact CB-CG1 4.05Å; I183-I223 HydrophobicContact CG2-CD1 4.16Å; I183-I223 HydrophobicContact CG2-CG1 4.03Å; I183-I223 WeakPolarHBondContact O-CA 3.13Å; I183-I224 PolarHBondContact O-N 3.13Å
184	I	98.4	Very high	95	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.5	175	-63.7	-177.6	0	0	0	109.2	L112 V123 L124 F125 I126 F140 T186 I224	L112-I184 HydrophobicContact CD1-CD1 4.09Å; L112-I184 HydrophobicContact CD1-CG2 3.53Å; L112-I184 HydrophobicContact CD2-CD1 3.95Å; V123-I184 HydrophobicContact CG1-CB 4.3Å; V123-I184 HydrophobicContact CG1-CD1 3.73Å; V123-I184 HydrophobicContact CG1-CG1 3.71Å; L124-I184 PolarHBondContact O-N 3.12Å; F125-I184 WeakPolarHBondContact CA-O 3.13Å; F125-I184 HydrophobicContact CD1-CB 4.15Å; F125-I184 HydrophobicContact CD1-CG2 3.97Å; F125-I184 HydrophobicContact CD2-CB 4.41Å; F125-I184 HydrophobicContact CE1-CB 4.13Å; F125-I184 HydrophobicContact CE1-CD1 4.13Å; F125-I184 HydrophobicContact CE1-CG2 3.78Å; F125-I184 HydrophobicContact CE2-CB 4.41Å; F125-I184 HydrophobicContact CE2-CD1 3.85Å; F125-I184 HydrophobicContact CG-CB 4.29Å; F125-I184 HydrophobicContact CZ-CB 4.26Å; F125-I184 HydrophobicContact CZ-CD1 3.55Å; F125-I184 HydrophobicContact CZ-CG1 4.43Å; F125-I184 HydrophobicContact CZ-CG2 4.28Å; I126-I184 PolarHBondContact N-O 2.87Å; F140-I184 HydrophobicContact CD1-CD1 4.47Å; F140-I184 HydrophobicContact CE1-CD1 3.48Å; F140-I184 VanDerWaalsContact CE1-CD1 3.48Å; F140-I184 HydrophobicContact CE2-CD1 4.36Å; F140-I184 HydrophobicContact CZ-CD1 3.42Å; F140-I184 VanDerWaalsContact CZ-CD1 3.42Å; I184-T186 HydrophobicContact CG2-CG2 3.86Å; I184-I224 HydrophobicContact CG1-CB 4.4Å
185	L	97.9	Very high	95.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	101.8	173.5	-49.2	178.2	0	0	0	108.2	I126 I183 L199 I223 I224 A225 C226 H243 F246 L247 L250 Y264	I126-L185 HydrophobicContact CB-CD2 3.8Å; I126-L185 HydrophobicContact CD1-CD2 3.76Å; I126-L185 HydrophobicContact CG1-CD2 4.13Å; I126-L185 HydrophobicContact CG2-CD2 4.3Å; I126-L185 CarbonylContact O-C 3.59Å; I183-L185 HydrophobicContact CG2-CD2 3.8Å; I183-L185 HydrophobicContact CG2-CG 4.29Å; L185-L199 HydrophobicContact CD2-CD1 4.03Å; L185-L199 HydrophobicContact CD2-CD2 4.23Å; L185-I223 HydrophobicContact CD1-CD1 4.02Å; L185-I223 HydrophobicContact CD1-CG1 4.36Å; L185-I223 HydrophobicContact CG-CD1 4.41Å; L185-I223 HydrophobicContact CG-CG1 4.42Å; L185-I224 PolarHBondContact N-O 3.34Å; L185-A225 HydrophobicContact CB-CB 4.36Å; L185-A225 HydrophobicContact CD1-CB 4.4Å; L185-C226 WeakPolarHBondContact O-CB 3.34Å; L185-C226 PolarHBondContact O-N 3.29Å; L185-C226 PolarHBondContact O-SG 2.72Å; L185-H243 VanDerWaalsContact CB-CE1 3.49Å; L185-H243 WeakPolarHBondContact CB-CE1 3.42Å; L185-H243 PolarHBondContact O-CE1 3.46Å; L185-F246 HydrophobicContact CD1-CE1 4.44Å; L185-L247 HydrophobicContact CD1-CD2 3.51Å; L185-L250 HydrophobicContact CD1-CD2 3.92Å; L185-Y264 HydrophobicContact CD1-CE1 4.49Å
186	T	95.9	Very high	95.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	23%	0.23	C	C	.	.			trans	-83.4	-22.8	177.6	62.6	0	0	0	0	112.4	S82 P109 F125 I126 L134 I184	S82-T186 VanDerWaalsContact CB-O 3.25Å; S82-T186 WeakPolarHBondContact CB-O 3.42Å; P109-T186 HydrophobicContact CB-CG2 4.13Å; F125-T186 HydrophobicContact CD1-CG2 3.88Å; F125-T186 HydrophobicContact CE1-CG2 4.23Å; I126-T186 PolarHBondContact O-N 3.23Å; I126-T186 PolarHBondContact O-OG1 2.87Å; L134-T186 HydrophobicContact CD2-CG2 3.93Å; I184-T186 HydrophobicContact CG2-CG2 3.86Å
187	G	93.5	Very high	95.6	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.031	20%	0.203	C	C	.	.	S	Bend	trans	-172.1	176.9	178.4	0	0	0	0	0	110.7	H243	G187-H243 VanDerWaalsContact C-CD2 3.42Å; G187-H243 WeakPolarHBondContact CA-ND1 3.3Å; G187-H243 PolarHBondContact O-NE2 3.15Å
188	E	92.9	Very high	95.8	Very high	44 Å²	44	40.6 Å²	40.6	21%	0.206	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67	131.4	172.9	68.2	-66.5	165	0	0	111.1	Q128 W192 H243 F246	Q128-E188 WeakPolarHBondContact CG-O 3.41Å; Q128-E188 PolarHBondContact NE2-O 3.46Å; E188-W192 HydrophobicContact CB-CZ2 3.88Å; E188-W192 HydrophobicContact CG-CZ2 4.03Å; E188-H243 PolarHBondContact N-CD2 2.75Å; E188-H243 WeakPolarHBondContact OE2-CA 3.49Å; E188-H243 WeakPolarHBondContact OE2-CB 3.49Å; E188-H243 PolarHBondContact OE2-N 3.05Å; E188-F246 HydrophobicContact CB-CB 3.98Å; E188-F246 HydrophobicContact CB-CG 4.37Å
189	P	94.2	Very high	95.9	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.039	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-73.2	169	173	31	-33.6	0	0	0	111.2	I126 W192 S195 F246	I126-P189 HydrophobicContact CG2-CB 3.69Å; I126-P189 HydrophobicContact CG2-CG 3.76Å; P189-W192 PolarHBondContact O-NE1 3.33Å; P189-S195 WeakPolarHBondContact CB-OG 3.3Å; P189-S195 VanDerWaalsContact CG-OG 3.24Å; P189-S195 WeakPolarHBondContact CG-OG 3.49Å; P189-F246 HydrophobicContact CG-CD2 4.29Å; P189-F246 HydrophobicContact CG-CE1 4.31Å; P189-F246 HydrophobicContact CG-CE2 3.6Å; P189-F246 HydrophobicContact CG-CZ 3.61Å
190	A	91.4	Very high	95.9	Very high	69 Å²	69	28.4 Å²	28.4	57%	0.57	14%	0.143	S	C	*	.	S	Bend	trans	-73.7	164.2	159.7	0	0	0	0	0	110	S195	A190-S195 PolarHBondContact O-OG 2.88Å
191	K	92	Very high	95.8	Very high	117 Å²	117	29.8 Å²	29.8	51%	0.509	15%	0.151	S	C	.	.	S	Bend	trans	49.3	68.4	177.5	-62.3	-171.4	175.2	-164	0	112.3	D160 E193 S194 S195	D160-K191 IonicContact OD2-NZ 3.22Å; D160-K191 PolarHBondContact OD2-NZ 3.31Å; K191-E193 WeakPolarHBondContact CB-OE1 3.39Å; K191-E193 PolarHBondContact O-N 2.9Å; K191-S194 PolarHBondContact O-N 3.42Å; K191-S195 PolarHBondContact O-N 3.2Å; K191-S195 VanDerWaalsContact O-N 3.11Å; K191-S195 PolarHBondContact O-OG 2.78Å
192	W	95.4	Very high	95.7	Very high	68 Å²	68	25.8 Å²	25.8	26%	0.258	13%	0.132	S	C	.	.	H	α-helix	trans	-57.2	-37	-173.3	-71.9	13.9	0	0	0	111.8	E188 P189 S194 S195 L196 F241 A245 F246	E188-W192 HydrophobicContact CB-CZ2 3.88Å; E188-W192 HydrophobicContact CG-CZ2 4.03Å; P189-W192 PolarHBondContact O-NE1 3.33Å; W192-S194 PolarHBondContact O-N 2.98Å; W192-S195 PolarHBondContact O-N 3.33Å; W192-L196 HydrophobicContact CB-CD1 4.23Å; W192-L196 WeakPolarHBondContact O-CB 3.33Å; W192-L196 WeakPolarHBondContact O-CD1 3.42Å; W192-L196 WeakPolarHBondContact O-CG 3.29Å; W192-L196 PolarHBondContact O-N 3.45Å; W192-F241 HydrophobicContact CH2-CB 4.14Å; W192-A245 HydrophobicContact CH2-CB 3.86Å; W192-A245 HydrophobicContact CZ3-CB 4.25Å; W192-F246 HydrophobicContact CB-CD2 4.25Å; W192-F246 HydrophobicContact CB-CE2 4.33Å; W192-F246 HydrophobicContact CD2-CB 4.32Å; W192-F246 AromaticContact CD2-CD2 3.69Å; W192-F246 HydrophobicContact CD2-CD2 3.69Å; W192-F246 AromaticContact CE2-CD2 3.99Å; W192-F246 HydrophobicContact CE3-CB 4.3Å; W192-F246 HydrophobicContact CE3-CD2 4.06Å; W192-F246 AromaticContact CG-CD2 3.76Å; W192-F246 HydrophobicContact CG-CD2 3.76Å; W192-F246 HydrophobicContact CG-CE2 4.21Å; W192-F246 HydrophobicContact CH2-CB 3.9Å; W192-F246 HydrophobicContact CZ2-CB 3.9Å; W192-F246 HydrophobicContact CZ3-CB 4.09Å
193	E	94.3	Very high	95.7	Very high	101 Å²	101	25.8 Å²	25.8	47%	0.472	13%	0.132	S	C	.	.	H	α-helix	trans	-54.2	-53	177.2	65.3	-68.5	168.5	0	0	112.7	V159 K191 Q197	V159-E193 HydrophobicContact CB-CG 4.46Å; V159-E193 HydrophobicContact CG2-CB 4.07Å; V159-E193 HydrophobicContact CG2-CG 3.77Å; K191-E193 WeakPolarHBondContact CB-OE1 3.39Å; K191-E193 PolarHBondContact O-N 2.9Å; E193-Q197 PolarHBondContact O-N 3.08Å; E193-Q197 VanDerWaalsContact O-N 3.09Å
194	S	93.8	Very high	95.5	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-43.9	179.4	-70.5	0	0	0	0	111.2	D157 V159 K191 W192 L196 Q197 L198	D157-S194 VanDerWaalsContact CG-OG 3.27Å; D157-S194 WeakPolarHBondContact OD1-CB 3.26Å; D157-S194 PolarHBondContact OD1-OG 2.96Å; D157-S194 VanDerWaalsContact OD2-CB 3.26Å; D157-S194 WeakPolarHBondContact OD2-CB 3.27Å; D157-S194 PolarHBondContact OD2-OG 2.81Å; D157-S194 VanDerWaalsContact OD2-OG 3.1Å; V159-S194 WeakPolarHBondContact CG2-OG 3.37Å; K191-S194 PolarHBondContact O-N 3.42Å; W192-S194 PolarHBondContact O-N 2.98Å; S194-L196 PolarHBondContact O-N 3.03Å; S194-Q197 PolarHBondContact O-N 2.82Å; S194-L198 WeakPolarHBondContact O-CG 3.35Å; S194-L198 PolarHBondContact O-N 3.46Å; S194-L198 VanDerWaalsContact O-N 3.13Å
195	S	96.1	Very high	95.4	Very high	7 Å²	7	27.7 Å²	27.7	5%	0.049	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-41.2	-179.7	-59.6	0	0	0	0	112.4	L146 P189 A190 K191 W192 L199	L146-S195 WeakPolarHBondContact CD1-OG 3.31Å; P189-S195 WeakPolarHBondContact CB-OG 3.3Å; P189-S195 VanDerWaalsContact CG-OG 3.24Å; P189-S195 WeakPolarHBondContact CG-OG 3.49Å; A190-S195 PolarHBondContact O-OG 2.88Å; K191-S195 PolarHBondContact O-N 3.2Å; K191-S195 VanDerWaalsContact O-N 3.11Å; K191-S195 PolarHBondContact O-OG 2.78Å; W192-S195 PolarHBondContact O-N 3.33Å; S195-L199 VanDerWaalsContact O-CB 3.25Å; S195-L199 WeakPolarHBondContact O-CB 3.47Å; S195-L199 VanDerWaalsContact O-CG 3.3Å; S195-L199 WeakPolarHBondContact O-CG 3.36Å; S195-L199 PolarHBondContact O-N 3.06Å
196	L	97.4	Very high	95.2	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.073	16%	0.159	C	C	.	.	H	α-helix	trans	-67.8	-41.6	178.1	-72.3	165.9	0	0	0	111.5	W192 S194 L199 V200 F246 C249 L250 L253	W192-L196 HydrophobicContact CB-CD1 4.23Å; W192-L196 WeakPolarHBondContact O-CB 3.33Å; W192-L196 WeakPolarHBondContact O-CD1 3.42Å; W192-L196 WeakPolarHBondContact O-CG 3.29Å; W192-L196 PolarHBondContact O-N 3.45Å; S194-L196 PolarHBondContact O-N 3.03Å; L196-L199 PolarHBondContact O-N 3.41Å; L196-V200 WeakPolarHBondContact O-CB 3.44Å; L196-V200 VanDerWaalsContact O-CG2 3.23Å; L196-V200 WeakPolarHBondContact O-CG2 3.4Å; L196-V200 PolarHBondContact O-N 2.87Å; L196-F246 HydrophobicContact CD1-CE2 4.44Å; L196-F246 HydrophobicContact CD2-CD2 4.28Å; L196-F246 HydrophobicContact CD2-CE2 3.75Å; L196-F246 HydrophobicContact CD2-CZ 3.96Å; L196-F246 HydrophobicContact CG-CD2 4.4Å; L196-F246 HydrophobicContact CG-CE2 3.74Å; L196-F246 HydrophobicContact CG-CZ 4.28Å; L196-C249 HydrophobicContact CD1-CB 3.82Å; L196-C249 HydrophobicContact CD2-CB 4.2Å; L196-L250 VanDerWaalsContact CD2-CA 3.49Å; L196-L250 HydrophobicContact CD2-CB 3.65Å; L196-L250 HydrophobicContact CD2-CD1 4.12Å; L196-L250 HydrophobicContact CD2-CG 4.49Å; L196-L253 HydrophobicContact CB-CD1 3.91Å; L196-L253 HydrophobicContact CD1-CD1 3.88Å; L196-L253 HydrophobicContact CD2-CD1 4.3Å; L196-L253 HydrophobicContact CG-CD1 4.25Å
197	Q	96.1	Very high	95.2	Very high	72 Å²	72	30.8 Å²	30.8	34%	0.336	16%	0.159	S	C	.	.	H	α-helix	trans	-55	-56.7	174.5	178.3	64.3	64.6	0	0	110.6	L156 V159 E193 S194 L199 V200 D201	L156-Q197 VanDerWaalsContact O-CG 3.23Å; L156-Q197 WeakPolarHBondContact O-CG 3.47Å; V159-Q197 HydrophobicContact CG1-CB 4.39Å; V159-Q197 HydrophobicContact CG1-CG 4.45Å; E193-Q197 PolarHBondContact O-N 3.08Å; E193-Q197 VanDerWaalsContact O-N 3.09Å; S194-Q197 PolarHBondContact O-N 2.82Å; Q197-L199 PolarHBondContact O-N 3.14Å; Q197-V200 PolarHBondContact O-N 3.02Å; Q197-D201 VanDerWaalsContact NE2-CG 3.3Å; Q197-D201 PolarHBondContact NE2-OD1 3.37Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.08Å; Q197-D201 PolarHBondContact NE2-OD2 3.21Å; Q197-D201 VanDerWaalsContact O-CG 3.23Å; Q197-D201 PolarHBondContact O-N 3.16Å
198	L	96.4	Very high	95.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-43.1	-178.2	-64.7	175	0	0	0	112.5	L146 V149 Q150 L156 D157 S194 D201 L202	L146-L198 HydrophobicContact CB-CD1 4.39Å; L146-L198 HydrophobicContact CD2-CB 4Å; L146-L198 HydrophobicContact CD2-CD1 3.94Å; V149-L198 HydrophobicContact CG1-CD2 4.24Å; Q150-L198 HydrophobicContact CG-CD1 3.68Å; L156-L198 HydrophobicContact CB-CD2 3.51Å; L156-L198 HydrophobicContact CD1-CD2 4.38Å; D157-L198 HydrophobicContact CB-CD1 4.32Å; D157-L198 HydrophobicContact CB-CD2 4.13Å; D157-L198 HydrophobicContact CB-CG 4.33Å; S194-L198 WeakPolarHBondContact O-CG 3.35Å; S194-L198 PolarHBondContact O-N 3.46Å; S194-L198 VanDerWaalsContact O-N 3.13Å; L198-D201 PolarHBondContact O-N 3.42Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 VanDerWaalsContact O-CG 3.23Å; L198-L202 WeakPolarHBondContact O-CG 3.37Å; L198-L202 PolarHBondContact O-N 3.27Å
199	L	97.2	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-46.1	178.1	-87.5	174.3	0	0	0	112.6	L124 I126 I183 L185 S195 L196 Q197 L202 L203 F246 L250	L124-L199 HydrophobicContact CD2-CD2 4.45Å; I126-L199 HydrophobicContact CD1-CD1 3.73Å; I126-L199 HydrophobicContact CD1-CD2 3.3Å; I126-L199 HydrophobicContact CD1-CG 3.52Å; I183-L199 HydrophobicContact CD1-CD2 3.8Å; I183-L199 HydrophobicContact CG2-CD2 3.67Å; L185-L199 HydrophobicContact CD2-CD1 4.03Å; L185-L199 HydrophobicContact CD2-CD2 4.23Å; S195-L199 VanDerWaalsContact O-CB 3.25Å; S195-L199 WeakPolarHBondContact O-CB 3.47Å; S195-L199 VanDerWaalsContact O-CG 3.3Å; S195-L199 WeakPolarHBondContact O-CG 3.36Å; S195-L199 PolarHBondContact O-N 3.06Å; L196-L199 PolarHBondContact O-N 3.41Å; Q197-L199 PolarHBondContact O-N 3.14Å; L199-L202 PolarHBondContact O-N 3.36Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 2.87Å; L199-F246 HydrophobicContact CD1-CE1 3.86Å; L199-F246 HydrophobicContact CD1-CZ 3.62Å; L199-L250 HydrophobicContact CB-CD1 3.87Å; L199-L250 HydrophobicContact CD1-CD1 4.19Å; L199-L250 HydrophobicContact CD1-CD2 4.17Å
200	V	96.8	Very high	95.2	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-43.4	-179.4	170.7	0	0	0	0	110.3	L196 Q197 L202 L203 M204 L250 L253 L257	L196-V200 WeakPolarHBondContact O-CB 3.44Å; L196-V200 VanDerWaalsContact O-CG2 3.23Å; L196-V200 WeakPolarHBondContact O-CG2 3.4Å; L196-V200 PolarHBondContact O-N 2.87Å; Q197-V200 PolarHBondContact O-N 3.02Å; V200-L202 VanDerWaalsContact C-N 3.33Å; V200-L202 PolarHBondContact O-N 3.27Å; V200-L203 PolarHBondContact O-N 3.32Å; V200-M204 HydrophobicContact CG1-CG 4.2Å; V200-M204 HydrophobicContact CG1-SD 3.44Å; V200-M204 WeakPolarHBondContact CG1-SD 3.45Å; V200-M204 WeakPolarHBondContact O-CB 3.29Å; V200-M204 VanDerWaalsContact O-CG 3.24Å; V200-M204 WeakPolarHBondContact O-CG 3.49Å; V200-M204 PolarHBondContact O-N 2.7Å; V200-L250 HydrophobicContact CG2-CD1 3.95Å; V200-L253 HydrophobicContact CG2-CB 4.24Å; V200-L257 HydrophobicContact CG1-CD1 3.62Å
201	D	96.5	Very high	95.1	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-45.5	176.1	-67.2	-23.6	0	0	0	111.3	Q197 L198 L203 M204 T205	Q197-D201 VanDerWaalsContact NE2-CG 3.3Å; Q197-D201 PolarHBondContact NE2-OD1 3.37Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.08Å; Q197-D201 PolarHBondContact NE2-OD2 3.21Å; Q197-D201 VanDerWaalsContact O-CG 3.23Å; Q197-D201 PolarHBondContact O-N 3.16Å; L198-D201 PolarHBondContact O-N 3.42Å; D201-L203 PolarHBondContact O-N 3.01Å; D201-M204 PolarHBondContact O-N 2.82Å; D201-T205 WeakPolarHBondContact O-CB 3.16Å; D201-T205 VanDerWaalsContact O-CG2 3.27Å; D201-T205 WeakPolarHBondContact O-CG2 3.41Å; D201-T205 PolarHBondContact O-N 2.84Å; D201-T205 PolarHBondContact O-OG1 3.29Å
202	L	97.1	Very high	94.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-41.9	177.2	-71.1	171.1	0	0	0	112.8	L124 V149 I180 I183 L198 L199 V200 M204 T205 D206 G207 P209	L124-L202 HydrophobicContact CD2-CD1 3.36Å; V149-L202 HydrophobicContact CG1-CD1 4.37Å; V149-L202 HydrophobicContact CG2-CD1 4.3Å; I180-L202 HydrophobicContact CD1-CD1 3.82Å; I180-L202 HydrophobicContact CD1-CD2 3.77Å; I180-L202 HydrophobicContact CD1-CG 4.46Å; I183-L202 HydrophobicContact CD1-CB 4.33Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 VanDerWaalsContact O-CG 3.23Å; L198-L202 WeakPolarHBondContact O-CG 3.37Å; L198-L202 PolarHBondContact O-N 3.27Å; L199-L202 PolarHBondContact O-N 3.36Å; V200-L202 VanDerWaalsContact C-N 3.33Å; V200-L202 PolarHBondContact O-N 3.27Å; L202-M204 VanDerWaalsContact C-N 3.33Å; L202-T205 PolarHBondContact O-N 3.01Å; L202-D206 PolarHBondContact O-N 3.13Å; L202-D206 VanDerWaalsContact O-N 3.15Å; L202-G207 PolarHBondContact O-N 3.06Å; L202-P209 HydrophobicContact CD2-CG 3.86Å
203	L	97	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-34.7	177.7	-70.5	167.4	0	0	0	112.2	I183 L199 V200 D201 T205 H220 I221 I223 L250 Y254 L262	I183-L203 HydrophobicContact CD1-CD2 3.98Å; I183-L203 HydrophobicContact CD1-CG 4.13Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 2.87Å; V200-L203 PolarHBondContact O-N 3.32Å; D201-L203 PolarHBondContact O-N 3.01Å; L203-T205 VanDerWaalsContact C-N 3.33Å; L203-H220 HydrophobicContact CB-CB 4.36Å; L203-H220 HydrophobicContact CD2-CB 3.97Å; L203-H220 WeakPolarHBondContact O-CB 3.44Å; L203-I221 HydrophobicContact CD2-CG1 4.25Å; L203-I223 HydrophobicContact CD1-CD1 4.29Å; L203-I223 HydrophobicContact CD2-CD1 4.37Å; L203-L250 HydrophobicContact CD1-CD1 4.21Å; L203-Y254 HydrophobicContact CB-CD2 3.92Å; L203-Y254 HydrophobicContact CB-CE2 3.68Å; L203-Y254 HydrophobicContact CD1-CD2 4.13Å; L203-L262 HydrophobicContact CD1-CD1 3.7Å
204	M	96	Very high	94.5	Very high	22 Å²	22	45.5 Å²	45.5	11%	0.108	23%	0.233	C	C	.	.	H	α-helix	trans	-75	-22.4	177.7	-71.8	173.7	63.3	0	0	113.1	V200 D201 L202 P213 F216 P217 Y254 L257 T258	V200-M204 HydrophobicContact CG1-CG 4.2Å; V200-M204 HydrophobicContact CG1-SD 3.44Å; V200-M204 WeakPolarHBondContact CG1-SD 3.45Å; V200-M204 WeakPolarHBondContact O-CB 3.29Å; V200-M204 VanDerWaalsContact O-CG 3.24Å; V200-M204 WeakPolarHBondContact O-CG 3.49Å; V200-M204 PolarHBondContact O-N 2.7Å; D201-M204 PolarHBondContact O-N 2.82Å; L202-M204 VanDerWaalsContact C-N 3.33Å; M204-P213 WeakPolarHBondContact O-CG 3.35Å; M204-F216 HydrophobicContact CB-CD1 4.23Å; M204-F216 HydrophobicContact CE-CD1 3.71Å; M204-F216 HydrophobicContact CE-CD2 4.11Å; M204-F216 HydrophobicContact CE-CE1 3.2Å; M204-F216 HydrophobicContact CE-CE2 3.62Å; M204-F216 HydrophobicContact CE-CG 4.16Å; M204-F216 HydrophobicContact CE-CZ 3.14Å; M204-P217 WeakPolarHBondContact O-CD 3.28Å; M204-Y254 HydrophobicContact CG-CE2 4.38Å; M204-L257 HydrophobicContact SD-CB 4.21Å; M204-T258 HydrophobicContact CE-CG2 4.36Å; M204-T258 HydrophobicContact CG-CG2 3.62Å; M204-T258 HydrophobicContact SD-CG2 4.03Å
205	T	95.5	Very high	94.3	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.117	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	14.6	-174.6	60.9	0	0	0	0	113.6	D201 L202 L203 G207 K208 P209	D201-T205 WeakPolarHBondContact O-CB 3.16Å; D201-T205 VanDerWaalsContact O-CG2 3.27Å; D201-T205 WeakPolarHBondContact O-CG2 3.41Å; D201-T205 PolarHBondContact O-N 2.84Å; D201-T205 PolarHBondContact O-OG1 3.29Å; L202-T205 PolarHBondContact O-N 3.01Å; L203-T205 VanDerWaalsContact C-N 3.33Å; T205-G207 PolarHBondContact O-N 2.88Å; T205-K208 WeakPolarHBondContact CB-O 3.41Å; T205-K208 PolarHBondContact O-N 3.47Å; T205-K208 VanDerWaalsContact O-N 3.14Å; T205-P209 HydrophobicContact CG2-CB 4.24Å; T205-P209 WeakPolarHBondContact OG1-CA 3.47Å; T205-P209 WeakPolarHBondContact OG1-CB 3.41Å
206	D	94.5	Very high	94	Very high	66 Å²	66	53.4 Å²	53.4	35%	0.353	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	40.4	179.6	-167.7	48.2	0	0	0	112.7	R179 L202 K208 I221	R179-D206 PolarHBondContact NH1-O 3.17Å; R179-D206 IonicContact NH1-OD2 3.43Å; R179-D206 PolarHBondContact NH1-OD2 3.01Å; L202-D206 PolarHBondContact O-N 3.13Å; L202-D206 VanDerWaalsContact O-N 3.15Å; D206-K208 VanDerWaalsContact C-N 3.33Å; D206-K208 PolarHBondContact O-N 2.65Å; D206-I221 WeakPolarHBondContact OD1-CG2 3.49Å
207	G	96	Very high	93.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	11.4	178	0	0	0	0	0	115.3	I180 L202 T205	I180-G207 PolarHBondContact N-O 3.4Å; I180-G207 WeakPolarHBondContact O-CA 3.39Å; L202-G207 PolarHBondContact O-N 3.06Å; T205-G207 PolarHBondContact O-N 2.88Å
208	K	94.4	Very high	93.1	Very high	86 Å²	86	56.8 Å²	56.8	37%	0.374	30%	0.295	S	S	.	.			trans	-138.1	84.8	178.2	-169.4	175.9	173	-176.8	0	111.4	R179 T205 D206 D210	R179-K208 HydrophobicContact CB-CB 4.42Å; R179-K208 HydrophobicContact CG-CB 4.18Å; T205-K208 WeakPolarHBondContact CB-O 3.41Å; T205-K208 PolarHBondContact O-N 3.47Å; T205-K208 VanDerWaalsContact O-N 3.14Å; D206-K208 VanDerWaalsContact C-N 3.33Å; D206-K208 PolarHBondContact O-N 2.65Å; K208-D210 VanDerWaalsContact CE-CG 3.43Å; K208-D210 WeakPolarHBondContact CE-OD2 3.49Å; K208-D210 HydrophobicContact CG-CB 4.47Å; K208-D210 IonicContact NZ-OD2 3.91Å; K208-D210 PolarHBondContact NZ-OD2 2.61Å; K208-D210 PolarHBondContact O-N 3.31Å
209	P	94.6	Very high	92.9	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.084	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	41.3	-172.7	36.4	-35.7	0	0	0	112.9	Y153 L156 L202 T205	Y153-P209 HydrophobicContact CD1-CG 4.15Å; Y153-P209 HydrophobicContact CD2-CG 3.8Å; Y153-P209 HydrophobicContact CE1-CG 4.05Å; Y153-P209 HydrophobicContact CE2-CG 3.69Å; Y153-P209 HydrophobicContact CG-CG 4.03Å; L156-P209 HydrophobicContact CD1-CB 3.75Å; L156-P209 HydrophobicContact CD1-CG 3.61Å; L202-P209 HydrophobicContact CD2-CG 3.86Å; T205-P209 HydrophobicContact CG2-CB 4.24Å; T205-P209 WeakPolarHBondContact OG1-CA 3.47Å; T205-P209 WeakPolarHBondContact OG1-CB 3.41Å
210	D	90.5	Very high	92.8	Very high	86 Å²	86	64.9 Å²	64.9	46%	0.46	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-36.8	177.2	-68.1	9.3	0	0	0	111.1	Y153 K208	Y153-D210 WeakPolarHBondContact CE1-OD1 3.34Å; Y153-D210 PolarHBondContact OH-OD1 3.28Å; K208-D210 VanDerWaalsContact CE-CG 3.43Å; K208-D210 WeakPolarHBondContact CE-OD2 3.49Å; K208-D210 HydrophobicContact CG-CB 4.47Å; K208-D210 IonicContact NZ-OD2 3.91Å; K208-D210 PolarHBondContact NZ-OD2 2.61Å; K208-D210 PolarHBondContact O-N 3.31Å
211	E	88.7	Confident	92.8	Very high	163 Å²	163	65.1 Å²	65.1	76%	0.762	33%	0.334	S	S	*	.	S	Bend	trans	-142.7	150.3	-174.6	-65.3	-178.8	178.7	0	0	110.1	P213	E211-P213 WeakPolarHBondContact O-CD 3.38Å
212	V	89	Confident	92.8	Very high	121 Å²	121	65.4 Å²	65.4	73%	0.733	34%	0.337	S	S	*	.			trans	-80	123.6	174.9	-178.8	0	0	0	0	109	F216	V212-F216 HydrophobicContact CG1-CE1 4.32Å
213	P	90.3	Very high	92.9	Very high	43 Å²	43	65.4 Å²	65.4	28%	0.279	34%	0.337	S	S	.	.			trans	-62.2	144.4	175.6	-24.3	35.5	0	0	0	111.9	M204 E211 T215	M204-P213 WeakPolarHBondContact O-CG 3.35Å; E211-P213 WeakPolarHBondContact O-CD 3.38Å; P213-T215 VanDerWaalsContact CB-O 3.25Å; P213-T215 WeakPolarHBondContact CB-O 3.15Å; P213-T215 PolarHBondContact O-N 3.49Å
214	E	90.4	Very high	92.9	Very high	204 Å²	204	65.5 Å²	65.5	95%	0.953	34%	0.338	S	S	*	.	S	Bend	trans	-58	-34.6	173.4	-67.2	-174.1	170.2	0	0	112
215	T	90.7	Very high	93	Very high	113 Å²	113	64.4 Å²	64.4	69%	0.693	33%	0.333	S	S	*	.	S	Bend	trans	-135.5	136.1	173	53.9	0	0	0	0	108.8	P213	P213-T215 VanDerWaalsContact CB-O 3.25Å; P213-T215 WeakPolarHBondContact CB-O 3.15Å; P213-T215 PolarHBondContact O-N 3.49Å
216	F	89.6	Confident	93.1	Very high	65 Å²	65	63.5 Å²	63.5	29%	0.285	33%	0.327	S	S	.	.			trans	-67.9	137.1	174.8	-56.5	-47.9	0	0	0	109.6	M204 V212 T258 Y260	M204-F216 HydrophobicContact CB-CD1 4.23Å; M204-F216 HydrophobicContact CE-CD1 3.71Å; M204-F216 HydrophobicContact CE-CD2 4.11Å; M204-F216 HydrophobicContact CE-CE1 3.2Å; M204-F216 HydrophobicContact CE-CE2 3.62Å; M204-F216 HydrophobicContact CE-CG 4.16Å; M204-F216 HydrophobicContact CE-CZ 3.14Å; V212-F216 HydrophobicContact CG1-CE1 4.32Å; F216-T258 HydrophobicContact CB-CG2 4.43Å; F216-T258 HydrophobicContact CD2-CG2 4.23Å; F216-T258 HydrophobicContact CG-CG2 4.37Å; F216-Y260 HydrophobicContact CB-CE2 4.41Å
217	P	86.1	Confident	92.9	Very high	39 Å²	39	61.3 Å²	61.3	25%	0.253	32%	0.315	S	S	.	.			trans	-67.9	139.3	-178.2	32.3	-37.1	0	0	0	109.8	M204 E219	M204-P217 WeakPolarHBondContact O-CD 3.28Å; P217-E219 WeakPolarHBondContact CB-O 3.44Å; P217-E219 PolarHBondContact O-N 3.27Å
218	E	87.5	Confident	92.7	Very high	118 Å²	118	61.9 Å²	61.9	55%	0.551	32%	0.318	S	S	*	.	S	Bend	trans	-66.1	-33.4	175	-172.8	-178.3	166	0	0	111	Y260 R263	E218-Y260 HydrophobicContact CB-CE1 4.42Å; E218-Y260 HydrophobicContact CG-CD1 4.23Å; E218-Y260 HydrophobicContact CG-CE1 4.13Å; E218-R263 IonicContact OE1-NH2 2.59Å
219	E	92	Very high	92.4	Very high	147 Å²	147	59.7 Å²	59.7	69%	0.687	31%	0.31	S	S	*	.	S	Bend	trans	-108.2	125.7	173.1	-61.1	-165.9	160.2	0	0	110	P217	P217-E219 WeakPolarHBondContact CB-O 3.44Å; P217-E219 PolarHBondContact O-N 3.27Å
220	H	95.2	Very high	92.1	Very high	24 Å²	24	61 Å²	61	11%	0.111	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-97.2	167.4	175.7	54.4	70.3	0	0	0	110.6	L203 Y254 R263	L203-H220 HydrophobicContact CB-CB 4.36Å; L203-H220 HydrophobicContact CD2-CB 3.97Å; L203-H220 WeakPolarHBondContact O-CB 3.44Å; H220-Y254 AromaticContact CD2-CZ 3.75Å; H220-Y254 PolarHBondContact CD2-OH 2.87Å; H220-R263 PolarHBondContact CE1-O 2.96Å; H220-R263 PolarHBondContact NE2-N 3.08Å
221	I	97	Very high	91.8	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.041	31%	0.309	C	S	.	.	S	Bend	trans	-49.7	149.1	171	54.3	174.3	0	0	0	112	I180 I183 L203 D206 I223	I180-I221 HydrophobicContact CG2-CD1 3.97Å; I183-I221 HydrophobicContact CD1-CD1 3.77Å; I183-I221 HydrophobicContact CD1-CG1 4.3Å; I183-I221 HydrophobicContact CG1-CD1 3.77Å; I183-I221 HydrophobicContact CG1-CG1 4.48Å; L203-I221 HydrophobicContact CD2-CG1 4.25Å; D206-I221 WeakPolarHBondContact OD1-CG2 3.49Å; I221-I223 PolarHBondContact O-N 3.17Å
222	P	97.5	Very high	91.3	Very high	37 Å²	37	56.2 Å²	56.2	24%	0.24	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-50.5	132	176.9	-30.1	35.6	0	0	0	112.9	Y118 E181 A182 I183 T265	Y118-P222 HydrophobicContact CE1-CB 3.9Å; Y118-P222 HydrophobicContact CE1-CG 4.13Å; E181-P222 WeakPolarHBondContact O-CD 3.32Å; A182-P222 CarbonylContact C-O 3.54Å; A182-P222 WeakPolarHBondContact CA-O 3.43Å; A182-P222 HydrophobicContact CB-CB 4.13Å; I183-P222 PolarHBondContact N-O 2.95Å; P222-T265 VanDerWaalsContact CA-OG1 3.24Å; P222-T265 WeakPolarHBondContact CA-OG1 3.25Å; P222-T265 HydrophobicContact CB-CG2 4.38Å; P222-T265 WeakPolarHBondContact CB-OG1 3.48Å
223	I	98.1	Very high	90.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.6	174.9	-171.3	168.8	0	0	0	110.1	I183 L185 L203 I221 L250 L262 Y264 T265	I183-I223 HydrophobicContact CB-CB 4.4Å; I183-I223 HydrophobicContact CB-CD1 4.45Å; I183-I223 HydrophobicContact CB-CG1 4.05Å; I183-I223 HydrophobicContact CG2-CD1 4.16Å; I183-I223 HydrophobicContact CG2-CG1 4.03Å; I183-I223 WeakPolarHBondContact O-CA 3.13Å; L185-I223 HydrophobicContact CD1-CD1 4.02Å; L185-I223 HydrophobicContact CD1-CG1 4.36Å; L185-I223 HydrophobicContact CG-CD1 4.41Å; L185-I223 HydrophobicContact CG-CG1 4.42Å; L203-I223 HydrophobicContact CD1-CD1 4.29Å; L203-I223 HydrophobicContact CD2-CD1 4.37Å; I221-I223 PolarHBondContact O-N 3.17Å; I223-L250 HydrophobicContact CD1-CD2 3.9Å; I223-L262 HydrophobicContact CG2-CD2 4.15Å; I223-Y264 HydrophobicContact CD1-CE1 4.33Å; I223-Y264 HydrophobicContact CG1-CD1 4.29Å; I223-Y264 HydrophobicContact CG1-CE1 4.29Å; I223-Y264 HydrophobicContact CG2-CD1 3.91Å; I223-Y264 HydrophobicContact CG2-CE1 4.37Å; I223-Y264 CarbonylContact O-C 3.51Å; I223-Y264 WeakPolarHBondContact O-CA 3.23Å; I223-T265 PolarHBondContact N-OG1 3.31Å; I223-T265 PolarHBondContact O-N 2.9Å
224	I	98.2	Very high	89.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.1	179.8	-59.1	171.7	0	0	0	108.1	L112 Y115 Y118 I183 I184 L185 S266 L268	L112-I224 HydrophobicContact CD2-CD1 4.07Å; L112-I224 HydrophobicContact CD2-CG2 4.09Å; Y115-I224 HydrophobicContact CD1-CD1 3.85Å; Y115-I224 HydrophobicContact CE1-CD1 3.92Å; Y118-I224 HydrophobicContact CD2-CD1 4.48Å; Y118-I224 HydrophobicContact CE2-CD1 4.18Å; I183-I224 PolarHBondContact O-N 3.13Å; I184-I224 HydrophobicContact CG1-CB 4.4Å; L185-I224 PolarHBondContact N-O 3.34Å; I224-S266 WeakPolarHBondContact CA-O 3.41Å; I224-L268 HydrophobicContact CG2-CD1 3.9Å; I224-L268 HydrophobicContact CG2-CG 4.01Å
225	A	97.9	Very high	88.4	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.8	173.1	0	0	0	0	0	110.3	L185 L247 Y264 S266 L267 L268	L185-A225 HydrophobicContact CB-CB 4.36Å; L185-A225 HydrophobicContact CD1-CB 4.4Å; A225-L247 HydrophobicContact CB-CD1 3.75Å; A225-L247 HydrophobicContact CB-CD2 3.81Å; A225-L247 HydrophobicContact CB-CG 4.45Å; A225-Y264 HydrophobicContact CB-CD1 3.91Å; A225-Y264 HydrophobicContact CB-CE1 3.75Å; A225-S266 PolarHBondContact N-O 2.98Å; A225-S266 VanDerWaalsContact N-O 3.11Å; A225-L267 HydrophobicContact CB-CD2 3.95Å; A225-L267 CarbonylContact O-C 3.48Å; A225-L267 WeakPolarHBondContact O-CA 3.37Å; A225-L268 PolarHBondContact O-N 3.35Å
226	C	96.6	Very high	87.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-94.6	-12.1	-169.6	-54.5	0	0	0	0	114.5	A108 P109 L185 L268 G269	A108-C226 HydrophobicContact CB-CB 4.2Å; A108-C226 WeakPolarHBondContact CB-O 3.49Å; P109-C226 HydrophobicContact CB-CB 4.26Å; L185-C226 WeakPolarHBondContact O-CB 3.34Å; L185-C226 PolarHBondContact O-N 3.29Å; L185-C226 PolarHBondContact O-SG 2.72Å; C226-L268 CarbonylContact C-O 3.59Å; C226-L268 CarbonylContact O-C 3.58Å; C226-G269 WeakPolarHBondContact O-CA 3.38Å; C226-G269 PolarHBondContact O-N 3.36Å
227	N	91.3	Very high	87	Confident	19 Å²	19	57.3 Å²	57.3	10%	0.102	30%	0.303	C	S	.	.			trans	-146.2	140.6	177.3	-174	-8.9	0	0	0	108.6	N80 A108 D229 H243 L247	N80-N227 PolarHBondContact O-ND2 2.71Å; A108-N227 HydrophobicContact CB-CB 4.33Å; N227-D229 WeakPolarHBondContact OD1-CB 3.47Å; N227-D229 PolarHBondContact OD1-N 2.72Å; N227-D229 PolarHBondContact OD1-OD2 3.18Å; N227-H243 HydrophobicContact CB-CB 4.13Å; N227-H243 PolarHBondContact O-ND1 3.49Å; N227-H243 VanDerWaalsContact O-ND1 3.16Å; N227-L247 WeakPolarHBondContact O-CD1 3.5Å
228	M	91.8	Very high	86.5	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.064	32%	0.321	C	S	.	.			trans	-119.3	1.5	-177.2	-62.1	173.9	-78.7	0	0	113.4	L230 G244 L247 L267 H387 F390	M228-L230 PolarHBondContact O-N 3.27Å; M228-L230 VanDerWaalsContact O-N 3.15Å; M228-G244 WeakPolarHBondContact O-CA 3.36Å; M228-L247 HydrophobicContact CG-CD1 4.48Å; M228-L267 HydrophobicContact CE-CB 4.28Å; M228-L267 HydrophobicContact CG-CD2 4.12Å; M228-L267 HydrophobicContact SD-CB 3.68Å; M228-L267 HydrophobicContact SD-CD1 3.79Å; M228-L267 HydrophobicContact SD-CD2 4.1Å; M228-L267 HydrophobicContact SD-CG 4.05Å; M228-H387 HydrophobicContact CB-CB 4.16Å; M228-H387 HydrophobicContact CG-CB 4.37Å; M228-H387 HydrophobicContact SD-CB 3.97Å; M228-F390 HydrophobicContact CE-CE2 3.65Å; M228-F390 HydrophobicContact CE-CZ 3.72Å; M228-F390 HydrophobicContact SD-CD2 3.97Å; M228-F390 HydrophobicContact SD-CE2 3.26Å; M228-F390 WeakPolarHBondContact SD-CE2 3.37Å; M228-F390 HydrophobicContact SD-CZ 3.97Å
229	D	88.2	Confident	86.2	Confident	40 Å²	40	58.1 Å²	58.1	21%	0.214	31%	0.311	C	S	.	.			trans	-61.3	117.8	-176.3	-65.2	-21.2	0	0	0	109.8	N80 N227 V231 G242 H243 G244	N80-D229 WeakPolarHBondContact CB-OD2 3.49Å; N80-D229 PolarHBondContact ND2-OD1 3.32Å; N80-D229 VanDerWaalsContact ND2-OD1 3.15Å; N80-D229 PolarHBondContact ND2-OD2 3.04Å; N227-D229 WeakPolarHBondContact OD1-CB 3.47Å; N227-D229 PolarHBondContact OD1-N 2.72Å; N227-D229 PolarHBondContact OD1-OD2 3.18Å; D229-V231 VanDerWaalsContact C-N 3.32Å; D229-G242 CarbonylContact O-C 3.6Å; D229-G242 WeakPolarHBondContact O-CA 3.31Å; D229-H243 PolarHBondContact O-N 3.08Å; D229-G244 WeakPolarHBondContact O-CA 3.45Å; D229-G244 PolarHBondContact O-N 2.91Å
230	L	87.4	Confident	85.9	Confident	40 Å²	40	56.2 Å²	56.2	21%	0.209	30%	0.298	C	S	.	.	S	Bend	trans	-65.5	-41.4	-179.7	-178.2	67.8	0	0	0	111.2	M228 G242 A245 I248 Y385	M228-L230 PolarHBondContact O-N 3.27Å; M228-L230 VanDerWaalsContact O-N 3.15Å; L230-G242 PolarHBondContact O-N 3.29Å; L230-A245 HydrophobicContact CD1-CB 3.97Å; L230-I248 HydrophobicContact CD1-CD1 3.48Å; L230-I248 VanDerWaalsContact CD1-CD1 3.48Å; L230-Y385 HydrophobicContact CB-CG 4.43Å; L230-Y385 HydrophobicContact CD2-CD1 3.12Å; L230-Y385 HydrophobicContact CD2-CD2 4.14Å; L230-Y385 HydrophobicContact CD2-CE1 3.51Å; L230-Y385 HydrophobicContact CD2-CE2 4.45Å; L230-Y385 HydrophobicContact CD2-CG 3.46Å; L230-Y385 VanDerWaalsContact CD2-CG 3.46Å
231	V	84.5	Confident	85.7	Confident	49 Å²	49	62.1 Å²	62.1	30%	0.297	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.2	-179.7	-64.8	0	0	0	0	110	D229 P239 R240 F241	D229-V231 VanDerWaalsContact C-N 3.32Å; V231-P239 HydrophobicContact CB-CB 3.66Å; V231-P239 HydrophobicContact CG1-CB 4.14Å; V231-P239 HydrophobicContact CG2-CB 3.87Å; V231-P239 HydrophobicContact CG2-CG 4.45Å; V231-R240 CarbonylContact C-O 3.49Å; V231-R240 WeakPolarHBondContact CA-O 3.46Å; V231-R240 VanDerWaalsContact CB-O 3.28Å; V231-R240 WeakPolarHBondContact CB-O 3.44Å; V231-F241 HydrophobicContact CG1-CD1 4.45Å
232	Y	77.5	Confident	85.3	Confident	100 Å²	100	62 Å²	62	39%	0.392	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.2	170.1	70.9	-85	0	0	0	110.6	D234 P239 R240 F241	Y232-D234 HydrophobicContact CD2-CB 4.31Å; Y232-D234 HydrophobicContact CE2-CB 3.9Å; Y232-P239 WeakPolarHBondContact O-CA 3.13Å; Y232-R240 HydrophobicContact CD1-CB 4.04Å; Y232-R240 HydrophobicContact CE1-CB 3.47Å; Y232-R240 VanDerWaalsContact CE1-CB 3.47Å; Y232-R240 HydrophobicContact CE1-CG 4.45Å; Y232-R240 HydrophobicContact CE2-CB 4.07Å; Y232-R240 HydrophobicContact CE2-CG 4.27Å; Y232-R240 VanDerWaalsContact CZ-CB 3.47Å; Y232-R240 PolarHBondContact N-O 2.91Å; Y232-R240 PolarHBondContact O-N 2.8Å; Y232-F241 VanDerWaalsContact CE1-O 3.31Å; Y232-F241 WeakPolarHBondContact CE1-O 2.99Å
233	M	68.7	Low	85.1	Confident	123 Å²	123	60.2 Å²	60.2	61%	0.606	31%	0.312	S	S	*	.			trans	-93.1	136.4	175.6	-66.2	-58.8	-66.7	0	0	110.2	P239	M233-P239 HydrophobicContact SD-CB 3.92Å; M233-P239 HydrophobicContact SD-CG 3.63Å
234	D	68.9	Low	84.9	Confident	96 Å²	96	60.4 Å²	60.4	51%	0.513	31%	0.314	S	S	.	.			trans	-141.5	-164.1	173.4	-163.5	-8.8	0	0	0	108.1	Y232 A236	Y232-D234 HydrophobicContact CD2-CB 4.31Å; Y232-D234 HydrophobicContact CE2-CB 3.9Å; D234-A236 PolarHBondContact O-N 2.99Å
235	K	72	Confident	84.7	Confident	207 Å²	207	60.8 Å²	60.8	90%	0.9	32%	0.317	S	S	*	.	S	Bend	trans	-61.4	-15.1	-179.4	-64.3	177.3	-176.6	177.3	0	114.6
236	A	75.8	Confident	84.7	Confident	41 Å²	41	60.8 Å²	60.8	34%	0.339	32%	0.317	S	S	.	.	S	Bend	trans	-73.6	150	178	0	0	0	0	0	111.7	D234 L238	D234-A236 PolarHBondContact O-N 2.99Å; A236-L238 PolarHBondContact O-N 3.43Å
237	A	75	Confident	84.7	Confident	101 Å²	101	60.8 Å²	60.8	84%	0.835	32%	0.317	S	S	*	.	S	Bend	trans	-66.3	-25.6	179.5	0	0	0	0	0	113.8
238	L	76.6	Confident	84.9	Confident	120 Å²	120	63.7 Å²	63.7	63%	0.628	33%	0.332	S	S	*	.	S	Bend	trans	-115.2	146	177.4	-64.9	178	0	0	0	110.2	A236 R240	A236-L238 PolarHBondContact O-N 3.43Å; L238-R240 PolarHBondContact O-NE 3.14Å; L238-R240 VanDerWaalsContact O-NE 3.14Å; L238-R240 PolarHBondContact O-NH2 3.36Å
239	P	79.3	Confident	85.2	Confident	54 Å²	54	65.3 Å²	65.3	35%	0.351	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-52.5	149.1	176.2	-19	25.5	0	0	0	112.5	V231 Y232 M233	V231-P239 HydrophobicContact CB-CB 3.66Å; V231-P239 HydrophobicContact CG1-CB 4.14Å; V231-P239 HydrophobicContact CG2-CB 3.87Å; V231-P239 HydrophobicContact CG2-CG 4.45Å; Y232-P239 WeakPolarHBondContact O-CA 3.13Å; M233-P239 HydrophobicContact SD-CB 3.92Å; M233-P239 HydrophobicContact SD-CG 3.63Å
240	R	87.1	Confident	85.6	Confident	108 Å²	108	63.4 Å²	63.4	41%	0.408	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	152.8	171.8	-58.6	-59.2	80.8	-165.7	-6.4	109.1	V231 Y232 L238 G242	V231-R240 CarbonylContact C-O 3.49Å; V231-R240 WeakPolarHBondContact CA-O 3.46Å; V231-R240 VanDerWaalsContact CB-O 3.28Å; V231-R240 WeakPolarHBondContact CB-O 3.44Å; Y232-R240 HydrophobicContact CD1-CB 4.04Å; Y232-R240 HydrophobicContact CE1-CB 3.47Å; Y232-R240 VanDerWaalsContact CE1-CB 3.47Å; Y232-R240 HydrophobicContact CE1-CG 4.45Å; Y232-R240 HydrophobicContact CE2-CB 4.07Å; Y232-R240 HydrophobicContact CE2-CG 4.27Å; Y232-R240 VanDerWaalsContact CZ-CB 3.47Å; Y232-R240 PolarHBondContact N-O 2.91Å; Y232-R240 PolarHBondContact O-N 2.8Å; L238-R240 PolarHBondContact O-NE 3.14Å; L238-R240 VanDerWaalsContact O-NE 3.14Å; L238-R240 PolarHBondContact O-NH2 3.36Å; R240-G242 PolarHBondContact O-N 3.5Å
241	F	89.9	Confident	86.1	Confident	148 Å²	148	62.1 Å²	62.1	65%	0.649	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.4	174.4	-69.1	-53.9	0	0	0	110.4	W192 V231 Y232 A245	W192-F241 HydrophobicContact CH2-CB 4.14Å; V231-F241 HydrophobicContact CG1-CD1 4.45Å; Y232-F241 VanDerWaalsContact CE1-O 3.31Å; Y232-F241 WeakPolarHBondContact CE1-O 2.99Å; F241-A245 HydrophobicContact CB-CB 3.96Å; F241-A245 HydrophobicContact CD1-CB 3.79Å; F241-A245 HydrophobicContact CG-CB 4.1Å
242	G	89.1	Confident	86.7	Confident	4 Å²	4	63.3 Å²	63.3	4%	0.041	33%	0.334	C	S	.	.			trans	-100.1	-174.5	171.1	0	0	0	0	0	111.9	D229 L230 R240 G244 A245	D229-G242 CarbonylContact O-C 3.6Å; D229-G242 WeakPolarHBondContact O-CA 3.31Å; L230-G242 PolarHBondContact O-N 3.29Å; R240-G242 PolarHBondContact O-N 3.5Å; G242-G244 PolarHBondContact O-N 2.62Å; G242-A245 WeakPolarHBondContact O-CB 3.39Å; G242-A245 PolarHBondContact O-N 2.81Å
243	H	93.3	Very high	87.7	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-55.8	-34.7	-178.9	-168.9	-166.5	0	0	0	113.4	L185 G187 E188 N227 D229 A245 F246 L247	L185-H243 VanDerWaalsContact CB-CE1 3.49Å; L185-H243 WeakPolarHBondContact CB-CE1 3.42Å; L185-H243 PolarHBondContact O-CE1 3.46Å; G187-H243 VanDerWaalsContact C-CD2 3.42Å; G187-H243 WeakPolarHBondContact CA-ND1 3.3Å; G187-H243 PolarHBondContact O-NE2 3.15Å; E188-H243 PolarHBondContact N-CD2 2.75Å; E188-H243 WeakPolarHBondContact OE2-CA 3.49Å; E188-H243 WeakPolarHBondContact OE2-CB 3.49Å; E188-H243 PolarHBondContact OE2-N 3.05Å; N227-H243 HydrophobicContact CB-CB 4.13Å; N227-H243 PolarHBondContact O-ND1 3.49Å; N227-H243 VanDerWaalsContact O-ND1 3.16Å; D229-H243 PolarHBondContact O-N 3.08Å; H243-A245 PolarHBondContact O-N 2.62Å; H243-F246 AromaticContact CD2-CD1 3.95Å; H243-F246 WeakPolarHBondContact O-CB 3.48Å; H243-F246 PolarHBondContact O-N 3.06Å; H243-L247 WeakPolarHBondContact O-CG 3.39Å; H243-L247 PolarHBondContact O-N 3.36Å
244	G	93.6	Very high	89	Confident	3 Å²	3	56.3 Å²	56.3	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-32.6	177.1	0	0	0	0	0	113.9	M228 D229 G242 L247 I248	M228-G244 WeakPolarHBondContact O-CA 3.36Å; D229-G244 WeakPolarHBondContact O-CA 3.45Å; D229-G244 PolarHBondContact O-N 2.91Å; G242-G244 PolarHBondContact O-N 2.62Å; G244-L247 PolarHBondContact O-N 2.86Å; G244-I248 WeakPolarHBondContact O-CG1 3.12Å; G244-I248 PolarHBondContact O-N 2.75Å
245	A	94.5	Very high	90.4	Very high	9 Å²	9	54.6 Å²	54.6	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-41.5	175.2	0	0	0	0	0	111.6	W192 L230 F241 G242 H243 L247 I248 C249	W192-A245 HydrophobicContact CH2-CB 3.86Å; W192-A245 HydrophobicContact CZ3-CB 4.25Å; L230-A245 HydrophobicContact CD1-CB 3.97Å; F241-A245 HydrophobicContact CB-CB 3.96Å; F241-A245 HydrophobicContact CD1-CB 3.79Å; F241-A245 HydrophobicContact CG-CB 4.1Å; G242-A245 WeakPolarHBondContact O-CB 3.39Å; G242-A245 PolarHBondContact O-N 2.81Å; H243-A245 PolarHBondContact O-N 2.62Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 2.91Å; A245-I248 PolarHBondContact O-N 2.74Å; A245-C249 PolarHBondContact O-N 2.99Å; A245-C249 VanDerWaalsContact O-N 3.15Å; A245-C249 PolarHBondContact O-SG 3.07Å
246	F	96.8	Very high	91.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-42	173	176.8	-98	0	0	0	111.6	L185 E188 P189 W192 L196 L199 H243 I248 C249 L250	L185-F246 HydrophobicContact CD1-CE1 4.44Å; E188-F246 HydrophobicContact CB-CB 3.98Å; E188-F246 HydrophobicContact CB-CG 4.37Å; P189-F246 HydrophobicContact CG-CD2 4.29Å; P189-F246 HydrophobicContact CG-CE1 4.31Å; P189-F246 HydrophobicContact CG-CE2 3.6Å; P189-F246 HydrophobicContact CG-CZ 3.61Å; W192-F246 HydrophobicContact CB-CD2 4.25Å; W192-F246 HydrophobicContact CB-CE2 4.33Å; W192-F246 HydrophobicContact CD2-CB 4.32Å; W192-F246 AromaticContact CD2-CD2 3.69Å; W192-F246 HydrophobicContact CD2-CD2 3.69Å; W192-F246 AromaticContact CE2-CD2 3.99Å; W192-F246 HydrophobicContact CE3-CB 4.3Å; W192-F246 HydrophobicContact CE3-CD2 4.06Å; W192-F246 AromaticContact CG-CD2 3.76Å; W192-F246 HydrophobicContact CG-CD2 3.76Å; W192-F246 HydrophobicContact CG-CE2 4.21Å; W192-F246 HydrophobicContact CH2-CB 3.9Å; W192-F246 HydrophobicContact CZ2-CB 3.9Å; W192-F246 HydrophobicContact CZ3-CB 4.09Å; L196-F246 HydrophobicContact CD1-CE2 4.44Å; L196-F246 HydrophobicContact CD2-CD2 4.28Å; L196-F246 HydrophobicContact CD2-CE2 3.75Å; L196-F246 HydrophobicContact CD2-CZ 3.96Å; L196-F246 HydrophobicContact CG-CD2 4.4Å; L196-F246 HydrophobicContact CG-CE2 3.74Å; L196-F246 HydrophobicContact CG-CZ 4.28Å; L199-F246 HydrophobicContact CD1-CE1 3.86Å; L199-F246 HydrophobicContact CD1-CZ 3.62Å; H243-F246 AromaticContact CD2-CD1 3.95Å; H243-F246 WeakPolarHBondContact O-CB 3.48Å; H243-F246 PolarHBondContact O-N 3.06Å; F246-I248 VanDerWaalsContact C-N 3.3Å; F246-I248 PolarHBondContact O-N 3.36Å; F246-C249 WeakPolarHBondContact O-CB 3.37Å; F246-C249 PolarHBondContact O-N 2.75Å; F246-C249 VanDerWaalsContact O-N 3.16Å; F246-L250 PolarHBondContact O-N 3.15Å
247	L	97	Very high	92.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-40.7	175.6	-60.5	-172.6	0	0	0	111.8	L185 A225 N227 M228 H243 G244 A245 L250 Q251 Y264	L185-L247 HydrophobicContact CD1-CD2 3.51Å; A225-L247 HydrophobicContact CB-CD1 3.75Å; A225-L247 HydrophobicContact CB-CD2 3.81Å; A225-L247 HydrophobicContact CB-CG 4.45Å; N227-L247 WeakPolarHBondContact O-CD1 3.5Å; M228-L247 HydrophobicContact CG-CD1 4.48Å; H243-L247 WeakPolarHBondContact O-CG 3.39Å; H243-L247 PolarHBondContact O-N 3.36Å; G244-L247 PolarHBondContact O-N 2.86Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 2.91Å; L247-L250 PolarHBondContact O-N 3.2Å; L247-Q251 WeakPolarHBondContact O-CB 3.27Å; L247-Q251 VanDerWaalsContact O-CD 3.31Å; L247-Q251 WeakPolarHBondContact O-CG 3.15Å; L247-Q251 PolarHBondContact O-N 2.93Å; L247-Q251 PolarHBondContact O-NE2 2.83Å; L247-Y264 HydrophobicContact CD2-CE1 4.25Å
248	I	96.3	Very high	93.4	Very high	81 Å²	81	50.9 Å²	50.9	42%	0.415	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-44.3	175.7	-69.9	170.1	0	0	0	111	L230 G244 A245 F246 Q251 T252	L230-I248 HydrophobicContact CD1-CD1 3.48Å; L230-I248 VanDerWaalsContact CD1-CD1 3.48Å; G244-I248 WeakPolarHBondContact O-CG1 3.12Å; G244-I248 PolarHBondContact O-N 2.75Å; A245-I248 PolarHBondContact O-N 2.74Å; F246-I248 VanDerWaalsContact C-N 3.3Å; F246-I248 PolarHBondContact O-N 3.36Å; I248-Q251 PolarHBondContact O-N 3.4Å; I248-T252 VanDerWaalsContact O-CB 3.3Å; I248-T252 WeakPolarHBondContact O-CB 3.46Å; I248-T252 PolarHBondContact O-N 2.89Å; I248-T252 PolarHBondContact O-OG1 2.97Å
249	C	97.5	Very high	94.2	Very high	47 Å²	47	48 Å²	48	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-49.8	176	-66.4	0	0	0	0	111.3	L196 A245 F246 Q251 T252 L253	L196-C249 HydrophobicContact CD1-CB 3.82Å; L196-C249 HydrophobicContact CD2-CB 4.2Å; A245-C249 PolarHBondContact O-N 2.99Å; A245-C249 VanDerWaalsContact O-N 3.15Å; A245-C249 PolarHBondContact O-SG 3.07Å; F246-C249 WeakPolarHBondContact O-CB 3.37Å; F246-C249 PolarHBondContact O-N 2.75Å; F246-C249 VanDerWaalsContact O-N 3.16Å; C249-Q251 PolarHBondContact O-N 3.17Å; C249-T252 PolarHBondContact O-N 3.38Å; C249-L253 WeakPolarHBondContact O-CG 3.47Å; C249-L253 PolarHBondContact O-N 3.15Å
250	L	97.9	Very high	95	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.1	-49.9	178.3	177.5	62	0	0	0	111.9	L185 L196 L199 V200 L203 I223 F246 L247 T252 L253 Y254 L262	L185-L250 HydrophobicContact CD1-CD2 3.92Å; L196-L250 VanDerWaalsContact CD2-CA 3.49Å; L196-L250 HydrophobicContact CD2-CB 3.65Å; L196-L250 HydrophobicContact CD2-CD1 4.12Å; L196-L250 HydrophobicContact CD2-CG 4.49Å; L199-L250 HydrophobicContact CB-CD1 3.87Å; L199-L250 HydrophobicContact CD1-CD1 4.19Å; L199-L250 HydrophobicContact CD1-CD2 4.17Å; V200-L250 HydrophobicContact CG2-CD1 3.95Å; L203-L250 HydrophobicContact CD1-CD1 4.21Å; I223-L250 HydrophobicContact CD1-CD2 3.9Å; F246-L250 PolarHBondContact O-N 3.15Å; L247-L250 PolarHBondContact O-N 3.2Å; L250-T252 VanDerWaalsContact C-N 3.29Å; L250-T252 PolarHBondContact O-N 3.2Å; L250-L253 PolarHBondContact O-N 2.93Å; L250-Y254 WeakPolarHBondContact O-CB 3.48Å; L250-Y254 PolarHBondContact O-N 3.47Å; L250-L262 HydrophobicContact CD1-CD1 4.45Å; L250-L262 HydrophobicContact CD2-CD1 4.15Å; L250-L262 HydrophobicContact CG-CD1 3.87Å
251	Q	97.2	Very high	95.3	Very high	13 Å²	13	49.9 Å²	49.9	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-40.3	179.5	-69.9	164.5	30.8	0	0	112.1	L247 I248 C249 N255 L262 Y264 H387 R388	L247-Q251 WeakPolarHBondContact O-CB 3.27Å; L247-Q251 VanDerWaalsContact O-CD 3.31Å; L247-Q251 WeakPolarHBondContact O-CG 3.15Å; L247-Q251 PolarHBondContact O-N 2.93Å; L247-Q251 PolarHBondContact O-NE2 2.83Å; I248-Q251 PolarHBondContact O-N 3.4Å; C249-Q251 PolarHBondContact O-N 3.17Å; Q251-N255 VanDerWaalsContact O-CB 3.25Å; Q251-N255 WeakPolarHBondContact O-CB 3.41Å; Q251-N255 PolarHBondContact O-N 3.02Å; Q251-N255 VanDerWaalsContact O-N 3.09Å; Q251-L262 HydrophobicContact CG-CB 4.45Å; Q251-L262 HydrophobicContact CG-CD2 4.25Å; Q251-Y264 HydrophobicContact CG-CE2 4.11Å; Q251-Y264 PolarHBondContact NE2-OH 3.01Å; Q251-H387 PolarHBondContact NE2-NE2 2.98Å; Q251-R388 VanDerWaalsContact OE1-NH1 3.12Å
252	T	97.5	Very high	95.7	Very high	74 Å²	74	42.9 Å²	42.9	45%	0.454	23%	0.234	S	C	.	.	H	α-helix	trans	-69	-49.3	-178.7	-57.4	0	0	0	0	110.4	I248 C249 L250 N255 Q256	I248-T252 VanDerWaalsContact O-CB 3.3Å; I248-T252 WeakPolarHBondContact O-CB 3.46Å; I248-T252 PolarHBondContact O-N 2.89Å; I248-T252 PolarHBondContact O-OG1 2.97Å; C249-T252 PolarHBondContact O-N 3.38Å; L250-T252 VanDerWaalsContact C-N 3.29Å; L250-T252 PolarHBondContact O-N 3.2Å; T252-N255 PolarHBondContact O-N 2.85Å; T252-Q256 HydrophobicContact CG2-CG 4.41Å; T252-Q256 VanDerWaalsContact O-CG 3.29Å; T252-Q256 WeakPolarHBondContact O-CG 3.42Å; T252-Q256 PolarHBondContact O-N 3.08Å
253	L	97.5	Very high	96	Very high	75 Å²	75	48.7 Å²	48.7	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-48.1	179.3	-69.9	172.7	0	0	0	111.8	L196 V200 C249 L250 N255 Q256 L257	L196-L253 HydrophobicContact CB-CD1 3.91Å; L196-L253 HydrophobicContact CD1-CD1 3.88Å; L196-L253 HydrophobicContact CD2-CD1 4.3Å; L196-L253 HydrophobicContact CG-CD1 4.25Å; V200-L253 HydrophobicContact CG2-CB 4.24Å; C249-L253 WeakPolarHBondContact O-CG 3.47Å; C249-L253 PolarHBondContact O-N 3.15Å; L250-L253 PolarHBondContact O-N 2.93Å; L253-N255 VanDerWaalsContact C-N 3.29Å; L253-N255 PolarHBondContact O-N 3.5Å; L253-Q256 PolarHBondContact O-N 3.08Å; L253-L257 WeakPolarHBondContact O-CB 3.38Å; L253-L257 WeakPolarHBondContact O-CG 3.38Å; L253-L257 PolarHBondContact O-N 3.19Å
254	Y	97.2	Very high	96.2	Very high	1 Å²	1	49 Å²	49	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-44	177	-178.9	-93.1	0	0	0	111.4	L203 M204 H220 L250 L257 T258 L262	L203-Y254 HydrophobicContact CB-CD2 3.92Å; L203-Y254 HydrophobicContact CB-CE2 3.68Å; L203-Y254 HydrophobicContact CD1-CD2 4.13Å; M204-Y254 HydrophobicContact CG-CE2 4.38Å; H220-Y254 AromaticContact CD2-CZ 3.75Å; H220-Y254 PolarHBondContact CD2-OH 2.87Å; L250-Y254 WeakPolarHBondContact O-CB 3.48Å; L250-Y254 PolarHBondContact O-N 3.47Å; Y254-L257 PolarHBondContact O-N 3.1Å; Y254-T258 HydrophobicContact CD2-CG2 4.11Å; Y254-T258 HydrophobicContact CE1-CG2 4.45Å; Y254-T258 WeakPolarHBondContact CE1-OG1 3.38Å; Y254-T258 HydrophobicContact CE2-CG2 3.81Å; Y254-T258 WeakPolarHBondContact O-CB 3.24Å; Y254-T258 WeakPolarHBondContact O-CG2 3.37Å; Y254-T258 PolarHBondContact O-N 3.25Å; Y254-T258 PolarHBondContact O-OG1 2.74Å; Y254-L262 HydrophobicContact CD1-CB 3.67Å; Y254-L262 HydrophobicContact CD1-CD1 4.36Å; Y254-L262 HydrophobicContact CD1-CG 4.42Å; Y254-L262 HydrophobicContact CE1-CB 4.23Å; Y254-L262 HydrophobicContact CG-CB 4.2Å; Y254-L262 HydrophobicContact CG-CD1 4.06Å
255	N	96.5	Very high	96.3	Very high	60 Å²	60	51 Å²	51	32%	0.321	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-40.8	178.9	-178.5	-112.7	0	0	0	113.2	Q251 T252 L253 L257 G259 Y260	Q251-N255 VanDerWaalsContact O-CB 3.25Å; Q251-N255 WeakPolarHBondContact O-CB 3.41Å; Q251-N255 PolarHBondContact O-N 3.02Å; Q251-N255 VanDerWaalsContact O-N 3.09Å; T252-N255 PolarHBondContact O-N 2.85Å; L253-N255 VanDerWaalsContact C-N 3.29Å; L253-N255 PolarHBondContact O-N 3.5Å; N255-L257 VanDerWaalsContact C-N 3.33Å; N255-L257 PolarHBondContact O-N 3.12Å; N255-G259 PolarHBondContact ND2-O 3.07Å; N255-G259 VanDerWaalsContact O-CA 3.24Å; N255-G259 WeakPolarHBondContact O-CA 3.34Å; N255-G259 PolarHBondContact O-N 3.32Å; N255-Y260 VanDerWaalsContact CA-O 3.25Å; N255-Y260 WeakPolarHBondContact CA-O 3.29Å; N255-Y260 PolarHBondContact ND2-O 3.25Å
256	Q	96.6	Very high	96.4	Very high	150 Å²	150	50.7 Å²	50.7	70%	0.701	27%	0.265	S	S	*	.	H	α-helix	trans	-67.4	-33.3	177.9	-69.3	-59.7	-52.7	0	0	112.6	T252 L253	T252-Q256 HydrophobicContact CG2-CG 4.41Å; T252-Q256 VanDerWaalsContact O-CG 3.29Å; T252-Q256 WeakPolarHBondContact O-CG 3.42Å; T252-Q256 PolarHBondContact O-N 3.08Å; L253-Q256 PolarHBondContact O-N 3.08Å
257	L	94.3	Very high	96.4	Very high	103 Å²	103	50.7 Å²	50.7	54%	0.539	27%	0.265	S	S	.	.	H	α-helix	trans	-84.2	-33.4	-177.8	-72.2	165.5	0	0	0	113.5	V200 M204 L253 Y254 N255	V200-L257 HydrophobicContact CG1-CD1 3.62Å; M204-L257 HydrophobicContact SD-CB 4.21Å; L253-L257 WeakPolarHBondContact O-CB 3.38Å; L253-L257 WeakPolarHBondContact O-CG 3.38Å; L253-L257 PolarHBondContact O-N 3.19Å; Y254-L257 PolarHBondContact O-N 3.1Å; N255-L257 VanDerWaalsContact C-N 3.33Å; N255-L257 PolarHBondContact O-N 3.12Å
258	T	94.8	Very high	96.4	Very high	18 Å²	18	50.7 Å²	50.7	11%	0.11	27%	0.265	C	S	.	.	H	α-helix	trans	-107.5	-20.3	-174.5	66.7	0	0	0	0	114.2	M204 F216 Y254 Y260	M204-T258 HydrophobicContact CE-CG2 4.36Å; M204-T258 HydrophobicContact CG-CG2 3.62Å; M204-T258 HydrophobicContact SD-CG2 4.03Å; F216-T258 HydrophobicContact CB-CG2 4.43Å; F216-T258 HydrophobicContact CD2-CG2 4.23Å; F216-T258 HydrophobicContact CG-CG2 4.37Å; Y254-T258 HydrophobicContact CD2-CG2 4.11Å; Y254-T258 HydrophobicContact CE1-CG2 4.45Å; Y254-T258 WeakPolarHBondContact CE1-OG1 3.38Å; Y254-T258 HydrophobicContact CE2-CG2 3.81Å; Y254-T258 WeakPolarHBondContact O-CB 3.24Å; Y254-T258 WeakPolarHBondContact O-CG2 3.37Å; Y254-T258 PolarHBondContact O-N 3.25Å; Y254-T258 PolarHBondContact O-OG1 2.74Å; T258-Y260 PolarHBondContact O-N 3.4Å; T258-Y260 PolarHBondContact OG1-N 3.19Å; T258-Y260 VanDerWaalsContact OG1-N 3.08Å
259	G	94.7	Very high	96.4	Very high	58 Å²	58	46.9 Å²	46.9	60%	0.598	25%	0.245	S	C	*	.	S	Bend	trans	77	-10.9	-167.1	0	0	0	0	0	114.2	N255	N255-G259 PolarHBondContact ND2-O 3.07Å; N255-G259 VanDerWaalsContact O-CA 3.24Å; N255-G259 WeakPolarHBondContact O-CA 3.34Å; N255-G259 PolarHBondContact O-N 3.32Å
260	Y	95.3	Very high	96.3	Very high	90 Å²	90	44.7 Å²	44.7	35%	0.353	23%	0.23	S	C	.	.	S	Bend	trans	-92.8	152	-177.7	-58.7	-55.2	0	0	0	112.5	F216 E218 N255 T258	F216-Y260 HydrophobicContact CB-CE2 4.41Å; E218-Y260 HydrophobicContact CB-CE1 4.42Å; E218-Y260 HydrophobicContact CG-CD1 4.23Å; E218-Y260 HydrophobicContact CG-CE1 4.13Å; N255-Y260 VanDerWaalsContact CA-O 3.25Å; N255-Y260 WeakPolarHBondContact CA-O 3.29Å; N255-Y260 PolarHBondContact ND2-O 3.25Å; T258-Y260 PolarHBondContact O-N 3.4Å; T258-Y260 PolarHBondContact OG1-N 3.19Å; T258-Y260 VanDerWaalsContact OG1-N 3.08Å
261	K	94.8	Very high	96.1	Very high	112 Å²	112	45.1 Å²	45.1	49%	0.487	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-82.2	123.5	172.7	-178.5	-176	175.7	-172.8	0	108.7	R263 R388	K261-R263 WeakPolarHBondContact O-CG 3.33Å; K261-R263 PolarHBondContact O-N 2.83Å; K261-R388 VanDerWaalsContact CE-CZ 3.44Å; K261-R388 VanDerWaalsContact CE-NE 3.3Å
262	L	96.4	Very high	96	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-59.1	127.1	171.5	-172.7	148.6	0	0	0	111	L203 I223 L250 Q251 Y254 Y264 R388	L203-L262 HydrophobicContact CD1-CD1 3.7Å; I223-L262 HydrophobicContact CG2-CD2 4.15Å; L250-L262 HydrophobicContact CD1-CD1 4.45Å; L250-L262 HydrophobicContact CD2-CD1 4.15Å; L250-L262 HydrophobicContact CG-CD1 3.87Å; Q251-L262 HydrophobicContact CG-CB 4.45Å; Q251-L262 HydrophobicContact CG-CD2 4.25Å; Y254-L262 HydrophobicContact CD1-CB 3.67Å; Y254-L262 HydrophobicContact CD1-CD1 4.36Å; Y254-L262 HydrophobicContact CD1-CG 4.42Å; Y254-L262 HydrophobicContact CE1-CB 4.23Å; Y254-L262 HydrophobicContact CG-CB 4.2Å; Y254-L262 HydrophobicContact CG-CD1 4.06Å; L262-Y264 HydrophobicContact CD2-CD1 4.2Å; L262-Y264 HydrophobicContact CD2-CD2 3.92Å; L262-Y264 HydrophobicContact CD2-CE1 3.81Å; L262-Y264 HydrophobicContact CD2-CE2 3.48Å; L262-Y264 VanDerWaalsContact CD2-CE2 3.48Å; L262-Y264 HydrophobicContact CD2-CG 4.25Å; L262-Y264 VanDerWaalsContact CD2-CZ 3.43Å; L262-R388 PolarHBondContact O-NH2 3.49Å
263	R	95.7	Very high	95.9	Very high	127 Å²	127	41 Å²	41	48%	0.479	21%	0.209	S	C	.	.			trans	-114.1	113.7	-177.4	-59.9	-176.4	-172.6	168.8	6.3	110.3	E218 H220 K261	E218-R263 IonicContact OE1-NH2 2.59Å; H220-R263 PolarHBondContact CE1-O 2.96Å; H220-R263 PolarHBondContact NE2-N 3.08Å; K261-R263 WeakPolarHBondContact O-CG 3.33Å; K261-R263 PolarHBondContact O-N 2.83Å
264	Y	97.1	Very high	95.9	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.027	19%	0.19	C	C	.	.			trans	-71.9	135.5	173.9	-64.2	-84.6	0	0	0	110.8	L185 I223 A225 L247 Q251 L262 S266 L267 S348 H387	L185-Y264 HydrophobicContact CD1-CE1 4.49Å; I223-Y264 HydrophobicContact CD1-CE1 4.33Å; I223-Y264 HydrophobicContact CG1-CD1 4.29Å; I223-Y264 HydrophobicContact CG1-CE1 4.29Å; I223-Y264 HydrophobicContact CG2-CD1 3.91Å; I223-Y264 HydrophobicContact CG2-CE1 4.37Å; I223-Y264 CarbonylContact O-C 3.51Å; I223-Y264 WeakPolarHBondContact O-CA 3.23Å; A225-Y264 HydrophobicContact CB-CD1 3.91Å; A225-Y264 HydrophobicContact CB-CE1 3.75Å; L247-Y264 HydrophobicContact CD2-CE1 4.25Å; Q251-Y264 HydrophobicContact CG-CE2 4.11Å; Q251-Y264 PolarHBondContact NE2-OH 3.01Å; L262-Y264 HydrophobicContact CD2-CD1 4.2Å; L262-Y264 HydrophobicContact CD2-CD2 3.92Å; L262-Y264 HydrophobicContact CD2-CE1 3.81Å; L262-Y264 HydrophobicContact CD2-CE2 3.48Å; L262-Y264 VanDerWaalsContact CD2-CE2 3.48Å; L262-Y264 HydrophobicContact CD2-CG 4.25Å; L262-Y264 VanDerWaalsContact CD2-CZ 3.43Å; Y264-S266 VanDerWaalsContact C-N 3.35Å; Y264-L267 HydrophobicContact CD1-CD2 4.03Å; Y264-L267 HydrophobicContact CD2-CD2 3.78Å; Y264-L267 HydrophobicContact CD2-CG 4.36Å; Y264-L267 HydrophobicContact CE2-CD2 4.31Å; Y264-L267 HydrophobicContact CG-CD2 3.63Å; Y264-L267 HydrophobicContact CG-CG 4.21Å; Y264-S348 VanDerWaalsContact O-CB 3.31Å; Y264-S348 WeakPolarHBondContact O-CB 3.45Å; Y264-H387 AromaticContact CE2-NE2 3.95Å
265	T	96.6	Very high	95.9	Very high	46 Å²	46	37.6 Å²	37.6	28%	0.282	19%	0.191	S	C	.	.	S	Bend	trans	-68.7	-38.6	171	-52.5	0	0	0	0	110.7	P222 I223	P222-T265 VanDerWaalsContact CA-OG1 3.24Å; P222-T265 WeakPolarHBondContact CA-OG1 3.25Å; P222-T265 HydrophobicContact CB-CG2 4.38Å; P222-T265 WeakPolarHBondContact CB-OG1 3.48Å; I223-T265 PolarHBondContact N-OG1 3.31Å; I223-T265 PolarHBondContact O-N 2.9Å
266	S	97.3	Very high	96	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	141.3	171.9	-68.9	0	0	0	0	110.6	Y115 I224 A225 Y264 S348	Y115-S266 PolarHBondContact OH-OG 3.19Å; Y115-S266 VanDerWaalsContact OH-OG 3.08Å; I224-S266 WeakPolarHBondContact CA-O 3.41Å; A225-S266 PolarHBondContact N-O 2.98Å; A225-S266 VanDerWaalsContact N-O 3.11Å; Y264-S266 VanDerWaalsContact C-N 3.35Å; S266-S348 CarbonylContact C-O 3.56Å; S266-S348 WeakPolarHBondContact CA-O 3.43Å
267	L	97	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.5	166.2	-69.8	171.5	0	0	0	107.4	A225 M228 Y264 S272 S348 H387 D389 F390	A225-L267 HydrophobicContact CB-CD2 3.95Å; A225-L267 CarbonylContact O-C 3.48Å; A225-L267 WeakPolarHBondContact O-CA 3.37Å; M228-L267 HydrophobicContact CE-CB 4.28Å; M228-L267 HydrophobicContact CG-CD2 4.12Å; M228-L267 HydrophobicContact SD-CB 3.68Å; M228-L267 HydrophobicContact SD-CD1 3.79Å; M228-L267 HydrophobicContact SD-CD2 4.1Å; M228-L267 HydrophobicContact SD-CG 4.05Å; Y264-L267 HydrophobicContact CD1-CD2 4.03Å; Y264-L267 HydrophobicContact CD2-CD2 3.78Å; Y264-L267 HydrophobicContact CD2-CG 4.36Å; Y264-L267 HydrophobicContact CE2-CD2 4.31Å; Y264-L267 HydrophobicContact CG-CD2 3.63Å; Y264-L267 HydrophobicContact CG-CG 4.21Å; L267-S272 WeakPolarHBondContact O-CB 3.05Å; L267-S272 PolarHBondContact O-OG 3.26Å; L267-S348 PolarHBondContact N-O 2.85Å; L267-H387 VanDerWaalsContact CD1-CE1 3.45Å; L267-H387 WeakPolarHBondContact CD1-CE1 3.43Å; L267-H387 WeakPolarHBondContact CD1-ND1 3.49Å; L267-D389 HydrophobicContact CD1-CB 3.8Å; L267-D389 WeakPolarHBondContact CD1-OD2 3.44Å; L267-F390 HydrophobicContact CB-CE2 4.41Å; L267-F390 HydrophobicContact CD1-CE2 3.91Å
268	L	97.2	Very high	96.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.			trans	-103.6	175.6	175.6	-37.8	173.6	0	0	0	109.5	P111 L112 I224 A225 C226 I274	P111-L268 HydrophobicContact CB-CD1 4.17Å; P111-L268 HydrophobicContact CB-CD2 4.28Å; L112-L268 HydrophobicContact CD2-CD1 3.81Å; L112-L268 HydrophobicContact CG-CD1 3.77Å; I224-L268 HydrophobicContact CG2-CD1 3.9Å; I224-L268 HydrophobicContact CG2-CG 4.01Å; A225-L268 PolarHBondContact O-N 3.35Å; C226-L268 CarbonylContact C-O 3.59Å; C226-L268 CarbonylContact O-C 3.58Å; L268-I274 HydrophobicContact CD2-CB 4.11Å; L268-I274 HydrophobicContact CD2-CD1 4.14Å; L268-I274 HydrophobicContact CD2-CG2 3.67Å
269	G	95.2	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	81.7	151.8	-167.7	0	0	0	0	0	111.1	N80 C226 S272 T275	N80-G269 WeakPolarHBondContact OD1-CA 3.46Å; C226-G269 WeakPolarHBondContact O-CA 3.38Å; C226-G269 PolarHBondContact O-N 3.36Å; G269-S272 WeakPolarHBondContact O-CB 3.23Å; G269-S272 PolarHBondContact O-N 3.15Å; G269-T275 WeakPolarHBondContact CA-OG1 3.42Å; G269-T275 PolarHBondContact N-OG1 3.34Å
270	K	94.8	Very high	96.5	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	138.6	172.3	-55.6	176.9	-62.4	-179.3	0	108.7	D41 V78 N80 T275 F276 F301 V308 D309	D41-K270 IonicContact OD1-NZ 3.46Å; D41-K270 PolarHBondContact OD1-NZ 3.11Å; D41-K270 IonicContact OD2-NZ 3.28Å; D41-K270 PolarHBondContact OD2-NZ 2.82Å; V78-K270 HydrophobicContact CG1-CD 4.01Å; V78-K270 HydrophobicContact CG1-CG 4.12Å; V78-K270 PolarHBondContact O-NZ 3.09Å; V78-K270 VanDerWaalsContact O-NZ 3.17Å; N80-K270 PolarHBondContact ND2-O 3.06Å; N80-K270 WeakPolarHBondContact OD1-CB 3.24Å; N80-K270 WeakPolarHBondContact OD1-CG 3.26Å; N80-K270 PolarHBondContact OD1-N 3.1Å; K270-T275 HydrophobicContact CG-CG2 4.3Å; K270-F276 HydrophobicContact CB-CE2 4.34Å; K270-F276 HydrophobicContact CG-CE2 4.06Å; K270-F276 HydrophobicContact CG-CZ 4.5Å; K270-F301 HydrophobicContact CD-CE1 4.44Å; K270-F301 HydrophobicContact CD-CE2 4.38Å; K270-F301 HydrophobicContact CD-CZ 3.67Å; K270-V308 HydrophobicContact CB-CG1 3.32Å; K270-V308 HydrophobicContact CD-CG1 4.28Å; K270-V308 HydrophobicContact CG-CG1 4.4Å; K270-D309 WeakPolarHBondContact CD-OD1 3.24Å; K270-D309 VanDerWaalsContact CE-OD1 3.29Å; K270-D309 WeakPolarHBondContact CE-OD1 3.48Å; K270-D309 IonicContact NZ-OD1 3.4Å; K270-D309 PolarHBondContact NZ-OD1 3.48Å
271	P	94.4	Very high	96.7	Very high	9 Å²	9	16.6 Å²	16.6	6%	0.058	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.8	21.2	9.7	38	-39.1	0	0	0	115	E273 V308 L311 G312 L315 F390	P271-E273 PolarHBondContact O-N 2.75Å; P271-V308 WeakPolarHBondContact CB-O 3.4Å; P271-L311 HydrophobicContact CB-CB 4.17Å; P271-L311 HydrophobicContact CB-CD2 4.1Å; P271-L311 HydrophobicContact CB-CG 3.9Å; P271-L311 HydrophobicContact CG-CD2 3.94Å; P271-L311 HydrophobicContact CG-CG 4.27Å; P271-G312 WeakPolarHBondContact O-CA 3.2Å; P271-L315 HydrophobicContact CB-CD1 4.26Å; P271-F390 HydrophobicContact CG-CD1 3.89Å; P271-F390 HydrophobicContact CG-CE1 3.92Å; P271-F390 HydrophobicContact CG-CG 4.45Å
272	S	95.6	Very high	96.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.052	C	C	.	.			trans	-60.2	131.3	-174.9	-178.6	0	0	0	0	113.7	L267 G269 I274 T275 F276	L267-S272 WeakPolarHBondContact O-CB 3.05Å; L267-S272 PolarHBondContact O-OG 3.26Å; G269-S272 WeakPolarHBondContact O-CB 3.23Å; G269-S272 PolarHBondContact O-N 3.15Å; S272-I274 PolarHBondContact O-N 3.37Å; S272-I274 VanDerWaalsContact O-N 3.12Å; S272-I274 PolarHBondContact OG-N 3Å; S272-T275 PolarHBondContact O-N 2.97Å; S272-F276 WeakPolarHBondContact O-CD2 3.25Å; S272-F276 PolarHBondContact O-N 3.3Å
273	E	95.5	Very high	96.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-56.5	-28.7	173.5	-63.8	98.8	135	0	0	112.8	P271 F276 R277 L315 F319 R349	P271-E273 PolarHBondContact O-N 2.75Å; E273-F276 PolarHBondContact O-N 2.91Å; E273-R277 VanDerWaalsContact O-CB 3.31Å; E273-R277 WeakPolarHBondContact O-CB 3.48Å; E273-R277 PolarHBondContact O-N 3.49Å; E273-L315 HydrophobicContact CG-CB 3.95Å; E273-F319 HydrophobicContact CB-CB 4.41Å; E273-F319 HydrophobicContact CG-CB 4.22Å; E273-R349 IonicContact OE1-CZ 2.63Å; E273-R349 IonicContact OE1-NE 3.02Å; E273-R349 PolarHBondContact OE1-NE 3.45Å; E273-R349 IonicContact OE1-NH2 3.13Å; E273-R349 PolarHBondContact OE1-NH2 2.96Å; E273-R349 IonicContact OE2-CZ 2.66Å; E273-R349 IonicContact OE2-NE 3.79Å; E273-R349 PolarHBondContact OE2-NE 3.26Å; E273-R349 IonicContact OE2-NH2 2.8Å
274	I	97.2	Very high	97	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.1	-42.3	178.3	-55.6	173.8	0	0	0	110.6	P111 Y115 L268 S272 R277 F278 T350 V351	P111-I274 HydrophobicContact CB-CG2 4.45Å; Y115-I274 HydrophobicContact CE2-CG2 4.43Å; Y115-I274 WeakPolarHBondContact OH-CG2 3.45Å; L268-I274 HydrophobicContact CD2-CB 4.11Å; L268-I274 HydrophobicContact CD2-CD1 4.14Å; L268-I274 HydrophobicContact CD2-CG2 3.67Å; S272-I274 PolarHBondContact O-N 3.37Å; S272-I274 VanDerWaalsContact O-N 3.12Å; S272-I274 PolarHBondContact OG-N 3Å; I274-R277 WeakPolarHBondContact O-CB 3.25Å; I274-R277 PolarHBondContact O-N 3.08Å; I274-F278 WeakPolarHBondContact O-CB 3.06Å; I274-F278 PolarHBondContact O-N 2.93Å; I274-T350 WeakPolarHBondContact CD1-O 3.38Å; I274-V351 HydrophobicContact CG1-CG2 4.39Å
275	T	97.6	Very high	97	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.018	4%	0.035	C	C	.	.	H	α-helix	trans	-65.2	-41.6	178	-67.8	0	0	0	0	111.2	V78 G269 K270 S272 F278 A279	V78-T275 HydrophobicContact CG1-CG2 3.92Å; G269-T275 WeakPolarHBondContact CA-OG1 3.42Å; G269-T275 PolarHBondContact N-OG1 3.34Å; K270-T275 HydrophobicContact CG-CG2 4.3Å; S272-T275 PolarHBondContact O-N 2.97Å; T275-F278 PolarHBondContact O-N 2.7Å; T275-A279 WeakPolarHBondContact O-CB 3.5Å; T275-A279 PolarHBondContact O-N 3.43Å
276	F	97.9	Very high	97	Very high	1 Å²	1	4.4 Å²	4.4	0%	0.004	2%	0.023	C	C	.	.	H	α-helix	trans	-68.9	-36	175.6	-77.7	-100.4	0	0	0	112.3	K270 S272 E273 F278 A279 E280 F301 G312 S313 Y316 I365	K270-F276 HydrophobicContact CB-CE2 4.34Å; K270-F276 HydrophobicContact CG-CE2 4.06Å; K270-F276 HydrophobicContact CG-CZ 4.5Å; S272-F276 WeakPolarHBondContact O-CD2 3.25Å; S272-F276 PolarHBondContact O-N 3.3Å; E273-F276 PolarHBondContact O-N 2.91Å; F276-F278 VanDerWaalsContact C-N 3.31Å; F276-F278 PolarHBondContact O-N 3.04Å; F276-A279 WeakPolarHBondContact O-CB 3.36Å; F276-A279 PolarHBondContact O-N 3.16Å; F276-E280 PolarHBondContact O-N 3.32Å; F276-F301 HydrophobicContact CD1-CD2 4.04Å; F276-F301 HydrophobicContact CD1-CE2 4.41Å; F276-F301 HydrophobicContact CE1-CB 4.4Å; F276-F301 AromaticContact CE1-CD2 3.26Å; F276-F301 HydrophobicContact CE1-CD2 3.26Å; F276-F301 AromaticContact CE1-CE2 3.62Å; F276-F301 HydrophobicContact CE1-CE2 3.62Å; F276-F301 AromaticContact CE1-CG 3.86Å; F276-F301 HydrophobicContact CE1-CG 3.86Å; F276-F301 HydrophobicContact CE1-CZ 4.48Å; F276-F301 AromaticContact CZ-CD2 3.87Å; F276-F301 HydrophobicContact CZ-CD2 3.87Å; F276-F301 AromaticContact CZ-CE2 3.79Å; F276-F301 HydrophobicContact CZ-CE2 3.79Å; F276-F301 HydrophobicContact CZ-CG 4.4Å; F276-F301 HydrophobicContact CZ-CZ 4.3Å; F276-G312 VanDerWaalsContact CE2-CA 3.44Å; F276-G312 VanDerWaalsContact CZ-C 3.45Å; F276-S313 WeakPolarHBondContact CE1-OG 3.32Å; F276-Y316 HydrophobicContact CB-CD1 4.2Å; F276-Y316 HydrophobicContact CB-CD2 3.54Å; F276-Y316 HydrophobicContact CB-CE2 4.16Å; F276-Y316 HydrophobicContact CB-CG 3.58Å; F276-Y316 HydrophobicContact CG-CG 4.39Å; F276-I365 HydrophobicContact CD1-CD1 3.64Å; F276-I365 HydrophobicContact CE1-CD1 3.93Å
277	R	97.6	Very high	96.9	Very high	15 Å²	15	4.5 Å²	4.5	6%	0.057	2%	0.024	C	C	.	.	H	α-helix	trans	-62.1	-40.2	172.7	-179.4	59.2	-174.6	91.7	-2.7	112.3	E273 I274 H281 Y316 V351 F357 L358	E273-R277 VanDerWaalsContact O-CB 3.31Å; E273-R277 WeakPolarHBondContact O-CB 3.48Å; E273-R277 PolarHBondContact O-N 3.49Å; I274-R277 WeakPolarHBondContact O-CB 3.25Å; I274-R277 PolarHBondContact O-N 3.08Å; R277-H281 PolarHBondContact O-N 3.49Å; R277-H281 VanDerWaalsContact O-N 3.13Å; R277-Y316 HydrophobicContact CB-CE2 3.85Å; R277-Y316 VanDerWaalsContact CD-OH 3.25Å; R277-Y316 WeakPolarHBondContact CD-OH 3.37Å; R277-V351 HydrophobicContact CB-CG2 4.09Å; R277-V351 HydrophobicContact CG-CG1 4.26Å; R277-V351 HydrophobicContact CG-CG2 4.04Å; R277-F357 HydrophobicContact CG-CD1 4.31Å; R277-F357 HydrophobicContact CG-CD2 4.48Å; R277-F357 HydrophobicContact CG-CE1 4.11Å; R277-F357 HydrophobicContact CG-CE2 4.31Å; R277-F357 HydrophobicContact CG-CG 4.49Å; R277-F357 HydrophobicContact CG-CZ 4.1Å; R277-L358 PolarHBondContact NH2-O 3.43Å
278	F	98.2	Very high	96.8	Very high	7 Å²	7	10.6 Å²	10.6	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-67.7	-39.7	174.1	-174.4	-97.8	0	0	0	111.7	I106 S110 P111 S113 V114 I274 T275 F276 E280 H281 I282 F357	I106-F278 HydrophobicContact CD1-CD1 4.11Å; I106-F278 HydrophobicContact CD1-CE1 4.32Å; I106-F278 HydrophobicContact CG1-CD1 4.37Å; I106-F278 HydrophobicContact CG1-CE1 4.19Å; I106-F278 HydrophobicContact CG2-CD1 3.81Å; I106-F278 HydrophobicContact CG2-CE1 4.04Å; S110-F278 WeakPolarHBondContact O-CZ 3.3Å; P111-F278 HydrophobicContact CB-CB 4.11Å; P111-F278 HydrophobicContact CB-CD1 4.47Å; P111-F278 HydrophobicContact CB-CD2 4.21Å; P111-F278 HydrophobicContact CB-CG 4.01Å; P111-F278 HydrophobicContact CG-CB 4.01Å; P111-F278 HydrophobicContact CG-CD1 4.03Å; P111-F278 HydrophobicContact CG-CG 3.97Å; S113-F278 VanDerWaalsContact OG-CE2 3.28Å; S113-F278 WeakPolarHBondContact OG-CE2 3.34Å; S113-F278 WeakPolarHBondContact OG-CZ 3.28Å; V114-F278 HydrophobicContact CG1-CD2 4.3Å; V114-F278 HydrophobicContact CG1-CE2 3.98Å; V114-F278 HydrophobicContact CG2-CD2 4.08Å; V114-F278 HydrophobicContact CG2-CE2 4.36Å; I274-F278 WeakPolarHBondContact O-CB 3.06Å; I274-F278 PolarHBondContact O-N 2.93Å; T275-F278 PolarHBondContact O-N 2.7Å; F276-F278 VanDerWaalsContact C-N 3.31Å; F276-F278 PolarHBondContact O-N 3.04Å; F278-E280 VanDerWaalsContact C-N 3.35Å; F278-E280 PolarHBondContact O-N 2.87Å; F278-H281 WeakPolarHBondContact O-CA 3.37Å; F278-H281 WeakPolarHBondContact O-CB 3.36Å; F278-H281 PolarHBondContact O-N 2.99Å; F278-H281 VanDerWaalsContact O-N 3.08Å; F278-I282 HydrophobicContact CD1-CG1 4.01Å; F278-I282 HydrophobicContact CE1-CD1 3.92Å; F278-I282 HydrophobicContact CE1-CG1 3.61Å; F278-I282 HydrophobicContact CE2-CD1 4.28Å; F278-I282 HydrophobicContact CZ-CD1 3.71Å; F278-I282 HydrophobicContact CZ-CG1 3.94Å; F278-I282 WeakPolarHBondContact O-CG1 3.44Å; F278-I282 PolarHBondContact O-N 3.2Å; F278-F357 HydrophobicContact CB-CE1 3.87Å; F278-F357 HydrophobicContact CB-CZ 4.42Å; F278-F357 AromaticContact CD2-CE1 3.84Å; F278-F357 HydrophobicContact CD2-CE1 3.84Å; F278-F357 HydrophobicContact CG-CE1 4.35Å
279	A	98.3	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-42.1	173.7	0	0	0	0	0	112.8	L39 V78 I106 T275 F276 H281 I282 L283	L39-A279 HydrophobicContact CD1-CB 3.74Å; L39-A279 HydrophobicContact CD2-CB 3.79Å; L39-A279 HydrophobicContact CG-CB 4.43Å; V78-A279 HydrophobicContact CG2-CB 4.09Å; I106-A279 VanDerWaalsContact CD1-CA 3.49Å; I106-A279 HydrophobicContact CD1-CB 3.83Å; T275-A279 WeakPolarHBondContact O-CB 3.5Å; T275-A279 PolarHBondContact O-N 3.43Å; F276-A279 WeakPolarHBondContact O-CB 3.36Å; F276-A279 PolarHBondContact O-N 3.16Å; A279-H281 VanDerWaalsContact C-N 3.34Å; A279-H281 PolarHBondContact O-N 3.37Å; A279-I282 PolarHBondContact O-N 2.98Å; A279-L283 WeakPolarHBondContact O-CG 3.4Å; A279-L283 PolarHBondContact O-N 3.09Å
280	E	98	Very high	96.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.6	-42.9	171.5	-175.1	-171.1	151.4	0	0	112.1	F276 F278 I282 L283 T284 L299 Y316 Q360 T361 A362	F276-E280 PolarHBondContact O-N 3.32Å; F278-E280 VanDerWaalsContact C-N 3.35Å; F278-E280 PolarHBondContact O-N 2.87Å; E280-I282 VanDerWaalsContact C-N 3.35Å; E280-I282 PolarHBondContact O-N 3.22Å; E280-L283 PolarHBondContact O-N 2.95Å; E280-T284 PolarHBondContact O-N 3.48Å; E280-T284 PolarHBondContact O-OG1 3.38Å; E280-L299 HydrophobicContact CB-CD1 4.06Å; E280-L299 HydrophobicContact CG-CD1 4.23Å; E280-Y316 PolarHBondContact OE2-OH 3.49Å; E280-Q360 PolarHBondContact OE1-NE2 3.25Å; E280-Q360 VanDerWaalsContact OE1-NE2 3.08Å; E280-Q360 PolarHBondContact OE2-NE2 3.04Å; E280-T361 PolarHBondContact OE1-N 3.37Å; E280-T361 PolarHBondContact OE1-OG1 3.33Å; E280-A362 VanDerWaalsContact CD-CB 3.41Å; E280-A362 HydrophobicContact CG-CB 4.06Å; E280-A362 PolarHBondContact OE1-N 3.5Å; E280-A362 VanDerWaalsContact OE2-CB 3.31Å; E280-A362 WeakPolarHBondContact OE2-CB 3.42Å
281	H	97.5	Very high	96.6	Very high	15 Å²	15	20.8 Å²	20.8	7%	0.069	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-44.3	177.8	166.3	72.8	0	0	0	111.9	R277 F278 A279 T284 L285 F357 L358	R277-H281 PolarHBondContact O-N 3.49Å; R277-H281 VanDerWaalsContact O-N 3.13Å; F278-H281 WeakPolarHBondContact O-CA 3.37Å; F278-H281 WeakPolarHBondContact O-CB 3.36Å; F278-H281 PolarHBondContact O-N 2.99Å; F278-H281 VanDerWaalsContact O-N 3.08Å; A279-H281 VanDerWaalsContact C-N 3.34Å; A279-H281 PolarHBondContact O-N 3.37Å; H281-T284 WeakPolarHBondContact O-CB 3.28Å; H281-T284 PolarHBondContact O-N 2.72Å; H281-L285 WeakPolarHBondContact NE2-CD1 3.42Å; H281-L285 PolarHBondContact O-N 2.89Å; H281-F357 HydrophobicContact CB-CD1 3.81Å; H281-F357 HydrophobicContact CB-CE1 4.41Å; H281-F357 AromaticContact CG-CD1 3.98Å; H281-L358 PolarHBondContact ND1-N 2.59Å; H281-L358 VanDerWaalsContact ND1-N 3.15Å
282	I	98	Very high	96.7	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-42.7	175.1	-66.4	-46.2	0	0	0	111.8	A76 D103 I106 F278 A279 E280 T284 L285 T286	A76-I282 HydrophobicContact CB-CG2 3.92Å; D103-I282 HydrophobicContact CB-CD1 4.14Å; D103-I282 WeakPolarHBondContact O-CG2 3.48Å; I106-I282 HydrophobicContact CD1-CB 3.87Å; I106-I282 HydrophobicContact CD1-CG1 3.7Å; I106-I282 HydrophobicContact CD1-CG2 4.15Å; I106-I282 HydrophobicContact CG1-CG1 4.1Å; I106-I282 HydrophobicContact CG1-CG2 4.48Å; F278-I282 HydrophobicContact CD1-CG1 4.01Å; F278-I282 HydrophobicContact CE1-CD1 3.92Å; F278-I282 HydrophobicContact CE1-CG1 3.61Å; F278-I282 HydrophobicContact CE2-CD1 4.28Å; F278-I282 HydrophobicContact CZ-CD1 3.71Å; F278-I282 HydrophobicContact CZ-CG1 3.94Å; F278-I282 WeakPolarHBondContact O-CG1 3.44Å; F278-I282 PolarHBondContact O-N 3.2Å; A279-I282 PolarHBondContact O-N 2.98Å; E280-I282 VanDerWaalsContact C-N 3.35Å; E280-I282 PolarHBondContact O-N 3.22Å; I282-T284 VanDerWaalsContact C-N 3.27Å; I282-T284 PolarHBondContact O-N 3.38Å; I282-L285 HydrophobicContact CD1-CD1 4.2Å; I282-L285 PolarHBondContact O-N 3.21Å; I282-T286 WeakPolarHBondContact O-CB 3.42Å; I282-T286 PolarHBondContact O-N 3.04Å; I282-T286 PolarHBondContact O-OG1 3.17Å
283	L	98.2	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-38.3	175.8	-75.9	175.4	0	0	0	111.9	L39 P74 A76 A279 E280 T286 S287 L299	L39-L283 HydrophobicContact CD1-CD1 4.32Å; L39-L283 HydrophobicContact CD2-CD1 3.42Å; L39-L283 VanDerWaalsContact CD2-CD1 3.42Å; L39-L283 HydrophobicContact CD2-CD2 4.23Å; L39-L283 HydrophobicContact CD2-CG 3.78Å; L39-L283 HydrophobicContact CG-CD1 3.76Å; P74-L283 HydrophobicContact CB-CD2 4.04Å; P74-L283 WeakPolarHBondContact O-CD2 3.35Å; A76-L283 HydrophobicContact CB-CD2 4.02Å; A76-L283 HydrophobicContact CB-CG 4.28Å; A279-L283 WeakPolarHBondContact O-CG 3.4Å; A279-L283 PolarHBondContact O-N 3.09Å; E280-L283 PolarHBondContact O-N 2.95Å; L283-T286 PolarHBondContact O-N 3.38Å; L283-S287 WeakPolarHBondContact O-CB 3.16Å; L283-S287 PolarHBondContact O-N 3.17Å; L283-L299 HydrophobicContact CD1-CD2 3.52Å
284	T	97.2	Very high	96.5	Very high	15 Å²	15	34.1 Å²	34.1	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-45.5	175.7	-54.5	0	0	0	0	111.4	E280 H281 I282 T286 S287 K288 L358	E280-T284 PolarHBondContact O-N 3.48Å; E280-T284 PolarHBondContact O-OG1 3.38Å; H281-T284 WeakPolarHBondContact O-CB 3.28Å; H281-T284 PolarHBondContact O-N 2.72Å; I282-T284 VanDerWaalsContact C-N 3.27Å; I282-T284 PolarHBondContact O-N 3.38Å; T284-T286 VanDerWaalsContact C-N 3.32Å; T284-T286 PolarHBondContact O-N 3.25Å; T284-S287 PolarHBondContact O-N 3.07Å; T284-K288 WeakPolarHBondContact O-CG 3.41Å; T284-K288 PolarHBondContact O-N 2.82Å; T284-L358 HydrophobicContact CG2-CD1 3.75Å
285	L	96.8	Very high	96.4	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-42.2	173.8	-75.9	172.1	0	0	0	111.9	Y15 H281 I282 K288 R289 L358	Y15-L285 HydrophobicContact CE1-CD2 4.11Å; H281-L285 WeakPolarHBondContact NE2-CD1 3.42Å; H281-L285 PolarHBondContact O-N 2.89Å; I282-L285 HydrophobicContact CD1-CD1 4.2Å; I282-L285 PolarHBondContact O-N 3.21Å; L285-K288 PolarHBondContact O-N 2.98Å; L285-R289 WeakPolarHBondContact O-CG 3.09Å; L285-R289 PolarHBondContact O-N 3.4Å; L285-L358 HydrophobicContact CD2-CD1 3.66Å; L285-L358 HydrophobicContact CD2-CG 4.44Å; L285-L358 HydrophobicContact CG-CD1 3.77Å
286	T	96.6	Very high	96.3	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-47.1	178.4	-56.1	0	0	0	0	110.5	P74 Q104 I282 L283 T284 K288 R289 M290	P74-T286 HydrophobicContact CB-CG2 4.41Å; Q104-T286 HydrophobicContact CG-CG2 4.16Å; I282-T286 WeakPolarHBondContact O-CB 3.42Å; I282-T286 PolarHBondContact O-N 3.04Å; I282-T286 PolarHBondContact O-OG1 3.17Å; L283-T286 PolarHBondContact O-N 3.38Å; T284-T286 VanDerWaalsContact C-N 3.32Å; T284-T286 PolarHBondContact O-N 3.25Å; T286-K288 VanDerWaalsContact C-N 3.33Å; T286-K288 PolarHBondContact O-N 3.04Å; T286-R289 PolarHBondContact O-N 3.22Å; T286-R289 VanDerWaalsContact O-N 3.11Å; T286-R289 PolarHBondContact OG1-NH2 2.9Å; T286-R289 VanDerWaalsContact OG1-NH2 3.14Å; T286-M290 HydrophobicContact CG2-SD 4.01Å; T286-M290 VanDerWaalsContact O-CG 3.23Å; T286-M290 WeakPolarHBondContact O-CG 3.43Å; T286-M290 PolarHBondContact O-N 2.95Å
287	S	96.3	Very high	96.2	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-55.3	-46.8	175.3	-166.7	0	0	0	0	111.9	L283 T284 R289 M290 G291 Y292	L283-S287 WeakPolarHBondContact O-CB 3.16Å; L283-S287 PolarHBondContact O-N 3.17Å; T284-S287 PolarHBondContact O-N 3.07Å; S287-R289 PolarHBondContact O-N 2.88Å; S287-M290 WeakPolarHBondContact O-CB 3.49Å; S287-M290 PolarHBondContact O-N 2.92Å; S287-G291 PolarHBondContact O-N 3.07Å; S287-Y292 PolarHBondContact O-N 3.49Å; S287-Y292 VanDerWaalsContact O-N 3.11Å; S287-Y292 WeakPolarHBondContact OG-CB 3.27Å
288	K	95.5	Very high	96.2	Very high	128 Å²	128	42.6 Å²	42.6	56%	0.557	21%	0.206	S	C	*	.	H	α-helix	trans	-62.2	-41.6	175.3	-71.6	-178.2	177	-170.4	0	112.9	T284 L285 T286 M290 G291	T284-K288 WeakPolarHBondContact O-CG 3.41Å; T284-K288 PolarHBondContact O-N 2.82Å; L285-K288 PolarHBondContact O-N 2.98Å; T286-K288 VanDerWaalsContact C-N 3.33Å; T286-K288 PolarHBondContact O-N 3.04Å; K288-M290 PolarHBondContact O-N 3.29Å; K288-G291 PolarHBondContact O-N 3.01Å
289	R	95	Very high	96.2	Very high	108 Å²	108	42.2 Å²	42.2	41%	0.408	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-28.9	176	-77.4	-174	-73.9	124.8	-5.6	112.7	H101 L285 T286 S287 G291	H101-R289 PolarHBondContact CD2-NH1 3.24Å; H101-R289 VanDerWaalsContact CD2-NH1 3.29Å; H101-R289 PolarHBondContact ND1-NH1 3.45Å; L285-R289 WeakPolarHBondContact O-CG 3.09Å; L285-R289 PolarHBondContact O-N 3.4Å; T286-R289 PolarHBondContact O-N 3.22Å; T286-R289 VanDerWaalsContact O-N 3.11Å; T286-R289 PolarHBondContact OG1-NH2 2.9Å; T286-R289 VanDerWaalsContact OG1-NH2 3.14Å; S287-R289 PolarHBondContact O-N 2.88Å; R289-G291 PolarHBondContact O-N 3.31Å
290	M	94	Very high	96.3	Very high	54 Å²	54	42.3 Å²	42.3	27%	0.266	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.8	173	-62.6	170.3	72.1	0	0	113.1	L71 P74 T286 S287 K288 Y292	L71-M290 WeakPolarHBondContact O-CE 3.32Å; P74-M290 HydrophobicContact CB-SD 4.34Å; P74-M290 HydrophobicContact CG-SD 3.97Å; T286-M290 HydrophobicContact CG2-SD 4.01Å; T286-M290 VanDerWaalsContact O-CG 3.23Å; T286-M290 WeakPolarHBondContact O-CG 3.43Å; T286-M290 PolarHBondContact O-N 2.95Å; S287-M290 WeakPolarHBondContact O-CB 3.49Å; S287-M290 PolarHBondContact O-N 2.92Å; K288-M290 PolarHBondContact O-N 3.29Å; M290-Y292 HydrophobicContact CB-CD2 4.03Å; M290-Y292 HydrophobicContact CB-CE2 4Å; M290-Y292 HydrophobicContact CB-CG 4.42Å; M290-Y292 HydrophobicContact CE-CE2 3.59Å; M290-Y292 HydrophobicContact SD-CE2 4.14Å
291	G	94.3	Very high	96.3	Very high	54 Å²	54	42.4 Å²	42.4	56%	0.557	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	5	179.5	0	0	0	0	0	114.8	S287 K288 R289	S287-G291 PolarHBondContact O-N 3.07Å; K288-G291 PolarHBondContact O-N 3.01Å; R289-G291 PolarHBondContact O-N 3.31Å
292	Y	94.9	Very high	96.4	Very high	28 Å²	28	41.7 Å²	41.7	11%	0.11	20%	0.202	C	C	.	.			trans	-77.4	138.5	-178.8	-58.1	-30	0	0	0	111.9	E33 P34 R72 P74 S287 M290	E33-Y292 HydrophobicContact CB-CD1 4.19Å; E33-Y292 HydrophobicContact CB-CG 4.37Å; E33-Y292 HydrophobicContact CG-CD1 3.74Å; E33-Y292 HydrophobicContact CG-CE1 4.31Å; E33-Y292 HydrophobicContact CG-CG 4.3Å; P34-Y292 VanDerWaalsContact CD-CE2 3.44Å; P34-Y292 HydrophobicContact CG-CD2 3.95Å; P34-Y292 HydrophobicContact CG-CE2 3.51Å; R72-Y292 PolarHBondContact NE-OH 3.49Å; R72-Y292 WeakPolarHBondContact O-CE2 3.36Å; R72-Y292 PolarHBondContact O-OH 3.38Å; P74-Y292 HydrophobicContact CG-CD2 4.3Å; P74-Y292 HydrophobicContact CG-CE2 4.41Å; S287-Y292 PolarHBondContact O-N 3.49Å; S287-Y292 VanDerWaalsContact O-N 3.11Å; S287-Y292 WeakPolarHBondContact OG-CB 3.27Å; M290-Y292 HydrophobicContact CB-CD2 4.03Å; M290-Y292 HydrophobicContact CB-CE2 4Å; M290-Y292 HydrophobicContact CB-CG 4.42Å; M290-Y292 HydrophobicContact CE-CE2 3.59Å; M290-Y292 HydrophobicContact SD-CE2 4.14Å
293	K	93.2	Very high	96.3	Very high	174 Å²	174	41.5 Å²	41.5	76%	0.757	20%	0.202	S	C	*	.			trans	-97.4	-26.4	176.5	-63.1	179.7	-176	174.5	0	111.6	E33	E33-K293 PolarHBondContact OE2-N 3.09Å
294	R	94	Very high	96.1	Very high	88 Å²	88	42 Å²	42	33%	0.332	20%	0.204	S	C	.	.	S	Bend	trans	-67.5	127.3	-178.4	-163.1	169.9	-176.1	-150.1	-9.6	111	E33 N35	E33-R294 HydrophobicContact CB-CB 4.14Å; E33-R294 PolarHBondContact O-NH1 3.11Å; E33-R294 WeakPolarHBondContact OE2-CB 3.47Å; E33-R294 PolarHBondContact OE2-N 3.28Å; N35-R294 HydrophobicContact CB-CG 4.06Å; N35-R294 VanDerWaalsContact CB-CZ 3.46Å; N35-R294 VanDerWaalsContact CG-CZ 3.46Å; N35-R294 VanDerWaalsContact CG-NH2 3.31Å; N35-R294 PolarHBondContact ND2-NH2 3.06Å; N35-R294 PolarHBondContact OD1-NH1 3.38Å
295	P	95.1	Very high	95.8	Very high	78 Å²	78	42.9 Å²	42.9	51%	0.506	21%	0.209	S	C	.	.			trans	-69.5	151.7	178.6	28.3	-34.6	0	0	0	111.7	D297 T361	P295-D297 PolarHBondContact O-N 3.47Å; P295-T361 HydrophobicContact CB-CG2 4.16Å
296	I	96.3	Very high	95.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.209	C	C	.	.			trans	-80.7	105.3	176	-56.8	-62.9	0	0	0	108.9	N35 P74 L299 T361 A362	N35-I296 CarbonylContact O-C 3.54Å; N35-I296 WeakPolarHBondContact O-CA 3.36Å; P74-I296 HydrophobicContact CB-CD1 4.47Å; P74-I296 HydrophobicContact CG-CD1 3.99Å; I296-L299 HydrophobicContact CG2-CD2 3.53Å; I296-T361 CarbonylContact O-C 3.22Å; I296-T361 PolarHBondContact O-OG1 2.89Å; I296-T361 VanDerWaalsContact O-OG1 3.07Å; I296-A362 WeakPolarHBondContact O-CA 3.48Å; I296-A362 PolarHBondContact O-N 3.23Å
297	D	95.4	Very high	95.1	Very high	35 Å²	35	44 Å²	44	19%	0.187	22%	0.215	C	C	.	.			trans	-103.8	-12.4	-178.8	80.4	-14.2	0	0	0	114	N35 P295 K363	N35-D297 PolarHBondContact ND2-OD1 2.76Å; N35-D297 PolarHBondContact O-N 3.15Å; P295-D297 PolarHBondContact O-N 3.47Å; D297-K363 HydrophobicContact CB-CD 4.01Å; D297-K363 HydrophobicContact CB-CG 4.16Å; D297-K363 WeakPolarHBondContact O-CB 3.32Å; D297-K363 PolarHBondContact O-N 2.87Å; D297-K363 IonicContact OD2-NZ 2.88Å; D297-K363 PolarHBondContact OD2-NZ 3.14Å
298	R	97.9	Very high	94.8	Very high	82 Å²	82	44.6 Å²	44.6	31%	0.309	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.8	173.5	-164.7	62.6	165.8	-167.9	-4.9	111.8	N35 F36 G37 F300 D366	N35-R298 PolarHBondContact O-N 2.8Å; F36-R298 CarbonylContact C-O 3.35Å; F36-R298 WeakPolarHBondContact CA-O 3.25Å; F36-R298 HydrophobicContact CB-CB 4.13Å; F36-R298 WeakPolarHBondContact CB-O 3.46Å; G37-R298 PolarHBondContact N-O 3.34Å; R298-F300 HydrophobicContact CB-CE2 4.23Å; R298-F300 HydrophobicContact CG-CD2 4.39Å; R298-F300 HydrophobicContact CG-CE1 4.26Å; R298-F300 HydrophobicContact CG-CE2 3.57Å; R298-F300 HydrophobicContact CG-CZ 3.49Å; R298-F300 VanDerWaalsContact CG-CZ 3.49Å; R298-D366 VanDerWaalsContact CZ-CG 3.49Å; R298-D366 IonicContact CZ-OD1 3.34Å; R298-D366 IonicContact CZ-OD2 3.02Å; R298-D366 IonicContact NE-OD1 3.81Å; R298-D366 IonicContact NE-OD2 2.76Å; R298-D366 PolarHBondContact NE-OD2 3.5Å; R298-D366 IonicContact NH2-OD1 3.06Å; R298-D366 PolarHBondContact NH2-OD1 3.46Å; R298-D366 IonicContact NH2-OD2 3.73Å; R298-D366 PolarHBondContact NH2-OD2 3.36Å
299	L	98.7	Very high	94.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.7	174.3	-55.3	178.7	0	0	0	109.6	E280 L283 I296 Y316 A362 G364 I365 D366	E280-L299 HydrophobicContact CB-CD1 4.06Å; E280-L299 HydrophobicContact CG-CD1 4.23Å; L283-L299 HydrophobicContact CD1-CD2 3.52Å; I296-L299 HydrophobicContact CG2-CD2 3.53Å; L299-Y316 HydrophobicContact CD1-CD1 4.38Å; L299-Y316 HydrophobicContact CD1-CE1 3.9Å; L299-A362 HydrophobicContact CD1-CB 3.83Å; L299-A362 HydrophobicContact CG-CB 3.89Å; L299-G364 PolarHBondContact N-O 3Å; L299-I365 HydrophobicContact CB-CB 3.87Å; L299-I365 HydrophobicContact CB-CD1 3.95Å; L299-I365 HydrophobicContact CB-CG1 3.68Å; L299-I365 HydrophobicContact CD1-CD1 4.27Å; L299-I365 CarbonylContact O-C 3.6Å; L299-I365 VanDerWaalsContact O-CA 3.29Å; L299-I365 WeakPolarHBondContact O-CA 3.49Å; L299-D366 PolarHBondContact O-N 2.97Å
300	F	98.8	Very high	94.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.1	171.3	-61.9	-83.8	0	0	0	108.9	F36 G37 L38 L39 R298 F302 D366 I368 I413 Q417	F36-F300 HydrophobicContact CB-CD2 4.29Å; F36-F300 HydrophobicContact CB-CE2 3.9Å; F36-F300 HydrophobicContact CD2-CD2 4.08Å; F36-F300 HydrophobicContact CD2-CE2 4.13Å; F36-F300 HydrophobicContact CG-CE2 4.21Å; G37-F300 PolarHBondContact O-N 2.78Å; L38-F300 HydrophobicContact CD2-CB 3.86Å; L38-F300 HydrophobicContact CD2-CD2 3.96Å; L38-F300 HydrophobicContact CD2-CG 4.27Å; L39-F300 PolarHBondContact N-O 2.85Å; R298-F300 HydrophobicContact CB-CE2 4.23Å; R298-F300 HydrophobicContact CG-CD2 4.39Å; R298-F300 HydrophobicContact CG-CE1 4.26Å; R298-F300 HydrophobicContact CG-CE2 3.57Å; R298-F300 HydrophobicContact CG-CZ 3.49Å; R298-F300 VanDerWaalsContact CG-CZ 3.49Å; F300-F302 HydrophobicContact CB-CE2 4.11Å; F300-D366 CarbonylContact C-O 3.56Å; F300-D366 WeakPolarHBondContact CA-O 3.24Å; F300-D366 HydrophobicContact CD1-CB 3.73Å; F300-D366 HydrophobicContact CE1-CB 3.94Å; F300-D366 WeakPolarHBondContact CE1-OD2 3.36Å; F300-I368 HydrophobicContact CB-CG1 4.49Å; F300-I368 HydrophobicContact CD1-CD1 4.33Å; F300-I413 HydrophobicContact CB-CG1 4.31Å; F300-I413 HydrophobicContact CD1-CD1 3.3Å; F300-I413 HydrophobicContact CD1-CG1 3.82Å; F300-I413 HydrophobicContact CD1-CG2 4.27Å; F300-I413 HydrophobicContact CD2-CG2 3.6Å; F300-I413 HydrophobicContact CE1-CD1 3.44Å; F300-I413 VanDerWaalsContact CE1-CD1 3.44Å; F300-I413 HydrophobicContact CE1-CG1 4.27Å; F300-I413 HydrophobicContact CE1-CG2 4.36Å; F300-I413 HydrophobicContact CE2-CG2 3.68Å; F300-I413 HydrophobicContact CG-CD1 3.96Å; F300-I413 HydrophobicContact CG-CG1 3.95Å; F300-I413 HydrophobicContact CG-CG2 3.91Å; F300-I413 HydrophobicContact CZ-CD1 4.18Å; F300-I413 HydrophobicContact CZ-CG2 4.08Å; F300-Q417 HydrophobicContact CE2-CG 4.04Å; F300-Q417 HydrophobicContact CZ-CG 4.29Å
301	F	98.8	Very high	94.8	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116	-179.7	-163.8	-70.6	0	0	0	110.8	L39 D41 V78 K270 F276 D309 S313 I365 D366 S367 I368	L39-F301 HydrophobicContact CB-CB 4.3Å; L39-F301 HydrophobicContact CB-CD2 3.42Å; L39-F301 VanDerWaalsContact CB-CD2 3.42Å; L39-F301 HydrophobicContact CB-CE2 3.91Å; L39-F301 HydrophobicContact CB-CG 4.04Å; L39-F301 HydrophobicContact CD1-CD2 3.74Å; L39-F301 HydrophobicContact CD1-CE2 4.37Å; L39-F301 HydrophobicContact CG-CD2 4.22Å; L39-F301 CarbonylContact O-C 3.58Å; L39-F301 WeakPolarHBondContact O-CA 3.34Å; D41-F301 HydrophobicContact CB-CE1 4.43Å; V78-F301 HydrophobicContact CB-CE2 3.84Å; V78-F301 HydrophobicContact CB-CZ 3.97Å; V78-F301 HydrophobicContact CG1-CE2 4.18Å; V78-F301 HydrophobicContact CG1-CZ 4.4Å; V78-F301 HydrophobicContact CG2-CE2 3.97Å; K270-F301 HydrophobicContact CD-CE1 4.44Å; K270-F301 HydrophobicContact CD-CE2 4.38Å; K270-F301 HydrophobicContact CD-CZ 3.67Å; F276-F301 HydrophobicContact CD1-CD2 4.04Å; F276-F301 HydrophobicContact CD1-CE2 4.41Å; F276-F301 HydrophobicContact CE1-CB 4.4Å; F276-F301 AromaticContact CE1-CD2 3.26Å; F276-F301 HydrophobicContact CE1-CD2 3.26Å; F276-F301 AromaticContact CE1-CE2 3.62Å; F276-F301 HydrophobicContact CE1-CE2 3.62Å; F276-F301 AromaticContact CE1-CG 3.86Å; F276-F301 HydrophobicContact CE1-CG 3.86Å; F276-F301 HydrophobicContact CE1-CZ 4.48Å; F276-F301 AromaticContact CZ-CD2 3.87Å; F276-F301 HydrophobicContact CZ-CD2 3.87Å; F276-F301 AromaticContact CZ-CE2 3.79Å; F276-F301 HydrophobicContact CZ-CE2 3.79Å; F276-F301 HydrophobicContact CZ-CG 4.4Å; F276-F301 HydrophobicContact CZ-CZ 4.3Å; F301-D309 HydrophobicContact CD1-CB 3.95Å; F301-D309 HydrophobicContact CE1-CB 3.67Å; F301-D309 WeakPolarHBondContact CE1-OD1 3.48Å; F301-S313 WeakPolarHBondContact CB-OG 3.11Å; F301-I365 HydrophobicContact CB-CD1 4.05Å; F301-I365 HydrophobicContact CB-CG1 4.37Å; F301-D366 PolarHBondContact N-O 2.8Å; F301-S367 CarbonylContact O-C 3.21Å; F301-I368 PolarHBondContact O-N 3.49Å
302	F	98.6	Very high	94.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.2	175.1	-67.5	-110.6	0	0	0	109.2	L38 L39 F40 D41 V45 F300 I368 C406 G409 V410 I413	L38-F302 HydrophobicContact CD2-CE2 4.21Å; L39-F302 PolarHBondContact O-N 3.22Å; F40-F302 HydrophobicContact CD1-CB 3.45Å; F40-F302 VanDerWaalsContact CD1-CB 3.45Å; F40-F302 HydrophobicContact CD1-CD1 4.16Å; F40-F302 AromaticContact CD1-CD2 3.89Å; F40-F302 HydrophobicContact CD1-CD2 3.89Å; F40-F302 AromaticContact CD1-CG 3.58Å; F40-F302 HydrophobicContact CD1-CG 3.58Å; F40-F302 HydrophobicContact CE1-CB 3.87Å; F40-F302 AromaticContact CE1-CD1 3.69Å; F40-F302 HydrophobicContact CE1-CD1 3.69Å; F40-F302 AromaticContact CE1-CD2 3.54Å; F40-F302 HydrophobicContact CE1-CD2 3.54Å; F40-F302 HydrophobicContact CE1-CE1 4.03Å; F40-F302 AromaticContact CE1-CE2 3.96Å; F40-F302 HydrophobicContact CE1-CE2 3.96Å; F40-F302 AromaticContact CE1-CG 3.42Å; F40-F302 HydrophobicContact CE1-CG 3.42Å; F40-F302 VanDerWaalsContact CE1-CG 3.42Å; F40-F302 HydrophobicContact CE1-CZ 4.18Å; F40-F302 HydrophobicContact CE2-CD2 4.5Å; F40-F302 HydrophobicContact CG-CB 4.19Å; F40-F302 HydrophobicContact CG-CD2 4.48Å; F40-F302 HydrophobicContact CG-CG 4.48Å; F40-F302 AromaticContact CZ-CD2 3.89Å; F40-F302 HydrophobicContact CZ-CD2 3.89Å; F40-F302 AromaticContact CZ-CE2 3.97Å; F40-F302 HydrophobicContact CZ-CE2 3.97Å; F40-F302 HydrophobicContact CZ-CG 4.24Å; F40-F302 HydrophobicContact CZ-CZ 4.33Å; D41-F302 PolarHBondContact N-O 3.43Å; V45-F302 HydrophobicContact CG1-CB 3.93Å; F300-F302 HydrophobicContact CB-CE2 4.11Å; F302-I368 WeakPolarHBondContact CA-O 3.35Å; F302-I368 HydrophobicContact CD1-CB 4.01Å; F302-I368 HydrophobicContact CD1-CG1 4.48Å; F302-I368 HydrophobicContact CD1-CG2 3.89Å; F302-I368 HydrophobicContact CD2-CB 4.47Å; F302-I368 HydrophobicContact CD2-CG1 4.29Å; F302-I368 HydrophobicContact CE1-CB 4.26Å; F302-I368 HydrophobicContact CE1-CG1 4.38Å; F302-I368 HydrophobicContact CE1-CG2 3.9Å; F302-I368 HydrophobicContact CE2-CG1 4.12Å; F302-I368 HydrophobicContact CG-CB 4.13Å; F302-I368 HydrophobicContact CG-CG1 4.45Å; F302-I368 HydrophobicContact CZ-CG1 4.18Å; F302-I368 HydrophobicContact CZ-CG2 4.48Å; F302-C406 HydrophobicContact CD1-CB 4.2Å; F302-G409 VanDerWaalsContact CE1-C 3.46Å; F302-V410 HydrophobicContact CE1-CG2 4.05Å; F302-V410 HydrophobicContact CZ-CG2 3.91Å; F302-I413 HydrophobicContact CE2-CG1 4.44Å; F302-I413 HydrophobicContact CZ-CG1 4.03Å
303	G	96.6	Very high	95	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.1	-176.6	0	0	0	0	0	111.8	D309 I368 L369 V370	G303-D309 WeakPolarHBondContact CA-OD2 3.32Å; G303-I368 PolarHBondContact N-O 2.96Å; G303-L369 WeakPolarHBondContact O-CA 3.07Å; G303-V370 PolarHBondContact O-N 2.69Å
304	D	93.3	Very high	95.2	Very high	10 Å²	10	20 Å²	20	5%	0.053	10%	0.1	C	C	.	.	S	Bend	trans	-107.2	-8.1	178	76.4	-32.4	0	0	0	112.4	V45 D309 V370 G373 V374 Y375	V45-D304 HydrophobicContact CG2-CB 4.02Å; D304-D309 PolarHBondContact N-OD2 3.34Å; D304-V370 HydrophobicContact CB-CG2 3.86Å; D304-G373 WeakPolarHBondContact OD2-CA 3.36Å; D304-V374 WeakPolarHBondContact OD2-CG2 3.36Å; D304-V374 PolarHBondContact OD2-N 2.95Å; D304-Y375 WeakPolarHBondContact O-CB 3.35Å; D304-Y375 PolarHBondContact O-N 2.93Å
305	N	91	Very high	95.3	Very high	35 Å²	35	16 Å²	16	19%	0.187	9%	0.085	C	C	.	.			trans	-120.4	109.9	-173.4	-170.9	-13.7	0	0	0	112.2	D307 V308 D309 V374	N305-D307 VanDerWaalsContact C-N 3.27Å; N305-D307 PolarHBondContact O-N 3.3Å; N305-D307 PolarHBondContact OD1-N 3.19Å; N305-D307 VanDerWaalsContact OD1-N 3.1Å; N305-V308 HydrophobicContact CB-CB 4.12Å; N305-V308 HydrophobicContact CB-CG2 4.48Å; N305-V308 WeakPolarHBondContact ND2-CG2 3.29Å; N305-V308 PolarHBondContact O-N 3.04Å; N305-V308 VanDerWaalsContact O-N 3.17Å; N305-D309 PolarHBondContact N-OD2 2.84Å; N305-D309 PolarHBondContact O-N 3.13Å; N305-V374 HydrophobicContact CB-CB 4.24Å; N305-V374 HydrophobicContact CB-CG1 4.42Å
306	P	91.3	Very high	95.4	Very high	12 Å²	12	12.3 Å²	12.3	8%	0.078	6%	0.061	C	C	.	.	I	π-helix	trans	-58.7	-35.2	179.3	-26.9	35.5	0	0	0	114.2	V308 L311 L369 Y375 V397	P306-V308 PolarHBondContact O-N 3.17Å; P306-L311 WeakPolarHBondContact O-CB 3.44Å; P306-L311 PolarHBondContact O-N 3.42Å; P306-L369 HydrophobicContact CG-CD1 4Å; P306-L369 HydrophobicContact CG-CD2 3.99Å; P306-Y375 HydrophobicContact CG-CD2 3.77Å; P306-Y375 HydrophobicContact CG-CG 4.34Å; P306-V397 HydrophobicContact CB-CB 4.2Å
307	D	88.3	Confident	95.4	Very high	28 Å²	28	13.7 Å²	13.7	15%	0.15	7%	0.069	C	C	.	.	I	π-helix	trans	-78.2	-7.2	-176.5	-67.2	-53.7	0	0	0	113.3	N305 L311 H384	N305-D307 VanDerWaalsContact C-N 3.27Å; N305-D307 PolarHBondContact O-N 3.3Å; N305-D307 PolarHBondContact OD1-N 3.19Å; N305-D307 VanDerWaalsContact OD1-N 3.1Å; D307-L311 VanDerWaalsContact O-CD2 3.31Å; D307-L311 WeakPolarHBondContact O-CD2 3.49Å; D307-H384 VanDerWaalsContact CG-ND1 3.34Å; D307-H384 IonicContact OD1-CE1 3.46Å; D307-H384 PolarHBondContact OD1-CE1 3.01Å; D307-H384 IonicContact OD1-CG 3.59Å; D307-H384 IonicContact OD1-ND1 2.71Å; D307-H384 PolarHBondContact OD1-ND1 2.86Å; D307-H384 IonicContact OD2-CE1 2.62Å; D307-H384 IonicContact OD2-ND1 3.83Å; D307-H384 PolarHBondContact OD2-ND1 3.45Å
308	V	90.4	Very high	95.3	Very high	17 Å²	17	14.7 Å²	14.7	10%	0.103	7%	0.074	C	C	.	.	I	π-helix	trans	-126.7	-61.2	-174.1	178	0	0	0	0	110.4	K270 P271 N305 P306 G312	K270-V308 HydrophobicContact CB-CG1 3.32Å; K270-V308 HydrophobicContact CD-CG1 4.28Å; K270-V308 HydrophobicContact CG-CG1 4.4Å; P271-V308 WeakPolarHBondContact CB-O 3.4Å; N305-V308 HydrophobicContact CB-CB 4.12Å; N305-V308 HydrophobicContact CB-CG2 4.48Å; N305-V308 WeakPolarHBondContact ND2-CG2 3.29Å; N305-V308 PolarHBondContact O-N 3.04Å; N305-V308 VanDerWaalsContact O-N 3.17Å; P306-V308 PolarHBondContact O-N 3.17Å; V308-G312 PolarHBondContact O-N 2.82Å
309	D	94.7	Very high	95.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-79.1	-49.9	-173.3	-56	-48.2	0	0	0	112.2	K270 F301 G303 D304 N305 G312 S313	K270-D309 WeakPolarHBondContact CD-OD1 3.24Å; K270-D309 VanDerWaalsContact CE-OD1 3.29Å; K270-D309 WeakPolarHBondContact CE-OD1 3.48Å; K270-D309 IonicContact NZ-OD1 3.4Å; K270-D309 PolarHBondContact NZ-OD1 3.48Å; F301-D309 HydrophobicContact CD1-CB 3.95Å; F301-D309 HydrophobicContact CE1-CB 3.67Å; F301-D309 WeakPolarHBondContact CE1-OD1 3.48Å; G303-D309 WeakPolarHBondContact CA-OD2 3.32Å; D304-D309 PolarHBondContact N-OD2 3.34Å; N305-D309 PolarHBondContact N-OD2 2.84Å; N305-D309 PolarHBondContact O-N 3.13Å; D309-G312 PolarHBondContact O-N 2.89Å; D309-S313 WeakPolarHBondContact O-CB 3.42Å; D309-S313 PolarHBondContact O-N 2.8Å; D309-S313 PolarHBondContact O-OG 3.35Å
310	V	95.4	Very high	95	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.064	C	C	.	.	I	π-helix	trans	-69.1	-48	179.8	177.7	0	0	0	0	109.7	G312 S313 N314 L369 V397 L398 P399	V310-G312 VanDerWaalsContact C-N 3.32Å; V310-G312 PolarHBondContact O-N 3.29Å; V310-S313 PolarHBondContact O-N 3.37Å; V310-N314 WeakPolarHBondContact O-CB 3.3Å; V310-N314 PolarHBondContact O-N 3.39Å; V310-N314 PolarHBondContact O-ND2 3.35Å; V310-L369 HydrophobicContact CG2-CB 4.26Å; V310-L369 HydrophobicContact CG2-CD1 4.09Å; V310-V397 WeakPolarHBondContact CG1-O 3.37Å; V310-L398 VanDerWaalsContact CG1-C 3.42Å; V310-L398 WeakPolarHBondContact CG1-O 3.23Å; V310-P399 HydrophobicContact CG1-CB 4.08Å; V310-P399 HydrophobicContact CG2-CB 3.97Å
311	L	94.4	Very high	94.7	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-53.2	-50.1	173.5	179.3	56.3	0	0	0	111.4	P271 P306 D307 S313 N314 L315 A393 L396 V397	P271-L311 HydrophobicContact CB-CB 4.17Å; P271-L311 HydrophobicContact CB-CD2 4.1Å; P271-L311 HydrophobicContact CB-CG 3.9Å; P271-L311 HydrophobicContact CG-CD2 3.94Å; P271-L311 HydrophobicContact CG-CG 4.27Å; P306-L311 WeakPolarHBondContact O-CB 3.44Å; P306-L311 PolarHBondContact O-N 3.42Å; D307-L311 VanDerWaalsContact O-CD2 3.31Å; D307-L311 WeakPolarHBondContact O-CD2 3.49Å; L311-S313 PolarHBondContact O-N 3.22Å; L311-N314 PolarHBondContact O-N 3.34Å; L311-L315 HydrophobicContact CD1-CD1 4Å; L311-L315 HydrophobicContact CD1-CG 4Å; L311-L315 HydrophobicContact CG-CD1 3.94Å; L311-L315 HydrophobicContact CG-CG 4.36Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.46Å; L311-L315 PolarHBondContact O-N 3.17Å; L311-A393 HydrophobicContact CD1-CB 3.81Å; L311-A393 WeakPolarHBondContact CD1-O 3.32Å; L311-L396 WeakPolarHBondContact CA-O 3.19Å; L311-L396 HydrophobicContact CD1-CB 3.74Å; L311-V397 HydrophobicContact CB-CG1 4.42Å
312	G	95.9	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-41.8	-179.9	0	0	0	0	0	113.3	P271 F276 V308 D309 V310 L315 Y316	P271-G312 WeakPolarHBondContact O-CA 3.2Å; F276-G312 VanDerWaalsContact CE2-CA 3.44Å; F276-G312 VanDerWaalsContact CZ-C 3.45Å; V308-G312 PolarHBondContact O-N 2.82Å; D309-G312 PolarHBondContact O-N 2.89Å; V310-G312 VanDerWaalsContact C-N 3.32Å; V310-G312 PolarHBondContact O-N 3.29Å; G312-L315 PolarHBondContact O-N 3.29Å; G312-Y316 WeakPolarHBondContact O-CB 3.29Å; G312-Y316 PolarHBondContact O-N 3Å
313	S	97.6	Very high	93.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-46.2	175.3	-59.1	0	0	0	0	111.7	F276 F301 D309 V310 L311 Y316 N317 I365	F276-S313 WeakPolarHBondContact CE1-OG 3.32Å; F301-S313 WeakPolarHBondContact CB-OG 3.11Å; D309-S313 WeakPolarHBondContact O-CB 3.42Å; D309-S313 PolarHBondContact O-N 2.8Å; D309-S313 PolarHBondContact O-OG 3.35Å; V310-S313 PolarHBondContact O-N 3.37Å; L311-S313 PolarHBondContact O-N 3.22Å; S313-Y316 WeakPolarHBondContact O-CB 3.25Å; S313-Y316 PolarHBondContact O-N 2.9Å; S313-N317 PolarHBondContact O-N 2.89Å; S313-I365 WeakPolarHBondContact O-CG2 3.37Å
314	N	96.9	Very high	93.3	Very high	25 Å²	25	31.9 Å²	31.9	13%	0.134	14%	0.141	C	C	.	.	H	α-helix	trans	-69.5	-36.5	-179.9	-73.6	-30.1	0	0	0	112.6	V310 L311 Y316 N317 N318 L396 L398	V310-N314 WeakPolarHBondContact O-CB 3.3Å; V310-N314 PolarHBondContact O-N 3.39Å; V310-N314 PolarHBondContact O-ND2 3.35Å; L311-N314 PolarHBondContact O-N 3.34Å; N314-Y316 VanDerWaalsContact C-N 3.3Å; N314-Y316 PolarHBondContact O-N 2.93Å; N314-N317 WeakPolarHBondContact O-CB 3.44Å; N314-N317 PolarHBondContact O-N 2.98Å; N314-N318 PolarHBondContact O-N 3.43Å; N314-N318 VanDerWaalsContact O-N 3.11Å; N314-L396 HydrophobicContact CB-CB 3.88Å; N314-L396 WeakPolarHBondContact CB-O 3.37Å; N314-L396 PolarHBondContact ND2-O 2.95Å; N314-L398 PolarHBondContact ND2-O 3.23Å
315	L	95.6	Very high	92.7	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-39.1	169.7	-74.2	177.4	0	0	0	111.7	P271 E273 L311 G312 N318 F319 R349 F390 A393 L396	P271-L315 HydrophobicContact CB-CD1 4.26Å; E273-L315 HydrophobicContact CG-CB 3.95Å; L311-L315 HydrophobicContact CD1-CD1 4Å; L311-L315 HydrophobicContact CD1-CG 4Å; L311-L315 HydrophobicContact CG-CD1 3.94Å; L311-L315 HydrophobicContact CG-CG 4.36Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.46Å; L311-L315 PolarHBondContact O-N 3.17Å; G312-L315 PolarHBondContact O-N 3.29Å; L315-N318 WeakPolarHBondContact O-CB 3.45Å; L315-N318 PolarHBondContact O-N 3.43Å; L315-N318 VanDerWaalsContact O-N 3.16Å; L315-F319 PolarHBondContact O-N 2.94Å; L315-R349 VanDerWaalsContact CD2-NH2 3.32Å; L315-F390 HydrophobicContact CD1-CD1 3.66Å; L315-F390 HydrophobicContact CD1-CE1 3.92Å; L315-A393 HydrophobicContact CD2-CB 3.91Å; L315-L396 HydrophobicContact CD2-CD1 3.73Å; L315-L396 HydrophobicContact CG-CD1 4.36Å
316	Y	96.8	Very high	92	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-40.7	175.7	-165.2	-116.4	0	0	0	112.3	F276 R277 E280 L299 G312 S313 N314 N318 F319 L320 I365	F276-Y316 HydrophobicContact CB-CD1 4.2Å; F276-Y316 HydrophobicContact CB-CD2 3.54Å; F276-Y316 HydrophobicContact CB-CE2 4.16Å; F276-Y316 HydrophobicContact CB-CG 3.58Å; F276-Y316 HydrophobicContact CG-CG 4.39Å; R277-Y316 HydrophobicContact CB-CE2 3.85Å; R277-Y316 VanDerWaalsContact CD-OH 3.25Å; R277-Y316 WeakPolarHBondContact CD-OH 3.37Å; E280-Y316 PolarHBondContact OE2-OH 3.49Å; L299-Y316 HydrophobicContact CD1-CD1 4.38Å; L299-Y316 HydrophobicContact CD1-CE1 3.9Å; G312-Y316 WeakPolarHBondContact O-CB 3.29Å; G312-Y316 PolarHBondContact O-N 3Å; S313-Y316 WeakPolarHBondContact O-CB 3.25Å; S313-Y316 PolarHBondContact O-N 2.9Å; N314-Y316 VanDerWaalsContact C-N 3.3Å; N314-Y316 PolarHBondContact O-N 2.93Å; Y316-N318 VanDerWaalsContact C-N 3.26Å; Y316-N318 PolarHBondContact O-N 3.45Å; Y316-F319 HydrophobicContact CD2-CB 4.31Å; Y316-F319 AromaticContact CD2-CD1 3.91Å; Y316-F319 HydrophobicContact CD2-CD1 3.91Å; Y316-F319 HydrophobicContact CD2-CG 4.4Å; Y316-F319 AromaticContact CE2-CD1 3.44Å; Y316-F319 HydrophobicContact CE2-CD1 3.44Å; Y316-F319 VanDerWaalsContact CE2-CD1 3.44Å; Y316-F319 AromaticContact CE2-CE1 3.89Å; Y316-F319 HydrophobicContact CE2-CE1 3.89Å; Y316-F319 HydrophobicContact CE2-CG 4.28Å; Y316-F319 CarbonylContact O-C 3.57Å; Y316-F319 WeakPolarHBondContact O-CA 3.45Å; Y316-F319 VanDerWaalsContact O-CB 3.31Å; Y316-F319 WeakPolarHBondContact O-CB 3.31Å; Y316-F319 PolarHBondContact O-N 3.5Å; Y316-L320 HydrophobicContact CD1-CD1 3.98Å; Y316-L320 HydrophobicContact CD1-CG 4.15Å; Y316-L320 HydrophobicContact CE1-CD1 3.88Å; Y316-L320 HydrophobicContact CE1-CD2 3.87Å; Y316-L320 HydrophobicContact CE1-CG 3.94Å; Y316-L320 WeakPolarHBondContact O-CG 3.4Å; Y316-L320 PolarHBondContact O-N 3.23Å; Y316-I365 HydrophobicContact CD1-CB 4.36Å; Y316-I365 HydrophobicContact CD1-CD1 4.44Å; Y316-I365 HydrophobicContact CD1-CG2 3.95Å
317	N	96.4	Very high	91.1	Very high	31 Å²	31	45.9 Å²	45.9	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-56.1	-40.5	170	-86.3	-35.7	0	0	0	112.4	S313 N314 L320 R321 G364 I365	S313-N317 PolarHBondContact O-N 2.89Å; N314-N317 WeakPolarHBondContact O-CB 3.44Å; N314-N317 PolarHBondContact O-N 2.98Å; N317-L320 PolarHBondContact O-N 2.93Å; N317-R321 WeakPolarHBondContact O-CG 3.5Å; N317-R321 PolarHBondContact O-N 3.34Å; N317-G364 WeakPolarHBondContact OD1-CA 3.39Å; N317-I365 HydrophobicContact CB-CG2 4.46Å; N317-I365 PolarHBondContact ND2-O 3.32Å; N317-I365 PolarHBondContact OD1-N 2.65Å; N317-I365 PolarHBondContact OD1-O 2.71Å
318	N	94.2	Very high	89.6	Confident	56 Å²	56	47.7 Å²	47.7	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-37.8	174.1	-74.4	-21.6	0	0	0	112.2	N314 L315 Y316 R322 L396	N314-N318 PolarHBondContact O-N 3.43Å; N314-N318 VanDerWaalsContact O-N 3.11Å; L315-N318 WeakPolarHBondContact O-CB 3.45Å; L315-N318 PolarHBondContact O-N 3.43Å; L315-N318 VanDerWaalsContact O-N 3.16Å; Y316-N318 VanDerWaalsContact C-N 3.26Å; Y316-N318 PolarHBondContact O-N 3.45Å; N318-R322 WeakPolarHBondContact O-CG 3.5Å; N318-R322 PolarHBondContact O-N 3.29Å; N318-R322 PolarHBondContact O-NE 3.36Å; N318-L396 VanDerWaalsContact ND2-CD1 3.33Å; N318-L396 WeakPolarHBondContact ND2-CD1 3.42Å
319	F	94.3	Very high	87.3	Confident	20 Å²	20	49.3 Å²	49.3	9%	0.088	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-50	170.1	168.4	-94.3	0	0	0	112	E273 L315 Y316 R321 R322 F323 V351 Q360	E273-F319 HydrophobicContact CB-CB 4.41Å; E273-F319 HydrophobicContact CG-CB 4.22Å; L315-F319 PolarHBondContact O-N 2.94Å; Y316-F319 HydrophobicContact CD2-CB 4.31Å; Y316-F319 AromaticContact CD2-CD1 3.91Å; Y316-F319 HydrophobicContact CD2-CD1 3.91Å; Y316-F319 HydrophobicContact CD2-CG 4.4Å; Y316-F319 AromaticContact CE2-CD1 3.44Å; Y316-F319 HydrophobicContact CE2-CD1 3.44Å; Y316-F319 VanDerWaalsContact CE2-CD1 3.44Å; Y316-F319 AromaticContact CE2-CE1 3.89Å; Y316-F319 HydrophobicContact CE2-CE1 3.89Å; Y316-F319 HydrophobicContact CE2-CG 4.28Å; Y316-F319 CarbonylContact O-C 3.57Å; Y316-F319 WeakPolarHBondContact O-CA 3.45Å; Y316-F319 VanDerWaalsContact O-CB 3.31Å; Y316-F319 WeakPolarHBondContact O-CB 3.31Å; Y316-F319 PolarHBondContact O-N 3.5Å; F319-R321 VanDerWaalsContact C-N 3.31Å; F319-R321 PolarHBondContact O-N 2.99Å; F319-R322 WeakPolarHBondContact O-CB 3.35Å; F319-R322 PolarHBondContact O-N 2.96Å; F319-R322 VanDerWaalsContact O-N 3.12Å; F319-F323 HydrophobicContact CE1-CB 4.48Å; F319-F323 HydrophobicContact CZ-CB 4.46Å; F319-F323 HydrophobicContact CZ-CD2 4.16Å; F319-F323 WeakPolarHBondContact O-CB 3.43Å; F319-F323 PolarHBondContact O-N 3.46Å; F319-V351 HydrophobicContact CD2-CG2 4.39Å; F319-V351 HydrophobicContact CE2-CB 4.4Å; F319-V351 HydrophobicContact CE2-CG2 3.72Å; F319-V351 HydrophobicContact CZ-CG2 3.99Å; F319-Q360 HydrophobicContact CE1-CG 4.41Å
320	L	94.7	Very high	84.6	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-40.1	-179.9	-65.5	178.4	0	0	0	112.5	Y316 N317 F323 R324 Q360 A362	Y316-L320 HydrophobicContact CD1-CD1 3.98Å; Y316-L320 HydrophobicContact CD1-CG 4.15Å; Y316-L320 HydrophobicContact CE1-CD1 3.88Å; Y316-L320 HydrophobicContact CE1-CD2 3.87Å; Y316-L320 HydrophobicContact CE1-CG 3.94Å; Y316-L320 WeakPolarHBondContact O-CG 3.4Å; Y316-L320 PolarHBondContact O-N 3.23Å; N317-L320 PolarHBondContact O-N 2.93Å; L320-F323 PolarHBondContact O-N 2.94Å; L320-R324 WeakPolarHBondContact O-CG 3.48Å; L320-R324 PolarHBondContact O-N 3.48Å; L320-Q360 VanDerWaalsContact CD2-CD 3.49Å; L320-Q360 HydrophobicContact CD2-CG 4.19Å; L320-A362 HydrophobicContact CD1-CB 4.38Å; L320-A362 WeakPolarHBondContact CD2-O 3.44Å
321	R	93.4	Very high	81.9	Confident	146 Å²	146	66.7 Å²	66.7	55%	0.551	35%	0.35	S	S	*	.	H	α-helix	trans	-60.4	-49.2	174.1	-70.9	173.2	-174.6	-168.7	1.9	111.3	N317 F319 F323 R324 H325	N317-R321 WeakPolarHBondContact O-CG 3.5Å; N317-R321 PolarHBondContact O-N 3.34Å; F319-R321 VanDerWaalsContact C-N 3.31Å; F319-R321 PolarHBondContact O-N 2.99Å; R321-F323 PolarHBondContact O-N 3.38Å; R321-R324 PolarHBondContact O-N 2.95Å; R321-H325 PolarHBondContact O-CD2 2.88Å; R321-H325 PolarHBondContact O-N 3.14Å
322	R	90.6	Very high	78.9	Confident	87 Å²	87	70.5 Å²	70.5	33%	0.328	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-44	177.5	-68.7	177.8	-62.3	128.3	-10.4	111.7	N318 F319 R324 H325 V326	N318-R322 WeakPolarHBondContact O-CG 3.5Å; N318-R322 PolarHBondContact O-N 3.29Å; N318-R322 PolarHBondContact O-NE 3.36Å; F319-R322 WeakPolarHBondContact O-CB 3.35Å; F319-R322 PolarHBondContact O-N 2.96Å; F319-R322 VanDerWaalsContact O-N 3.12Å; R322-R324 PolarHBondContact O-N 3.16Å; R322-H325 PolarHBondContact O-N 3.23Å; R322-V326 PolarHBondContact O-N 3.16Å
323	F	88	Confident	76	Confident	76 Å²	76	77 Å²	77	33%	0.333	42%	0.419	S	S	.	.	H	α-helix	trans	-60.5	-45.9	-179.5	-171.2	-98.5	0	0	0	111.8	F319 L320 R321 H325 V326 S327 Q360	F319-F323 HydrophobicContact CE1-CB 4.48Å; F319-F323 HydrophobicContact CZ-CB 4.46Å; F319-F323 HydrophobicContact CZ-CD2 4.16Å; F319-F323 WeakPolarHBondContact O-CB 3.43Å; F319-F323 PolarHBondContact O-N 3.46Å; L320-F323 PolarHBondContact O-N 2.94Å; R321-F323 PolarHBondContact O-N 3.38Å; F323-H325 VanDerWaalsContact C-N 3.33Å; F323-H325 PolarHBondContact O-N 3.27Å; F323-V326 PolarHBondContact O-N 2.82Å; F323-V326 VanDerWaalsContact O-N 3.16Å; F323-S327 WeakPolarHBondContact CE1-OG 3.06Å; F323-S327 WeakPolarHBondContact CZ-OG 3.45Å; F323-S327 WeakPolarHBondContact O-CB 3.25Å; F323-S327 PolarHBondContact O-N 3.35Å; F323-S327 PolarHBondContact O-OG 3.27Å; F323-Q360 HydrophobicContact CD1-CB 4.37Å; F323-Q360 HydrophobicContact CD1-CG 4.3Å; F323-Q360 HydrophobicContact CE1-CB 3.83Å; F323-Q360 HydrophobicContact CE1-CG 4.26Å; F323-Q360 HydrophobicContact CZ-CB 4.06Å
324	R	85.7	Confident	73.1	Confident	116 Å²	116	82 Å²	82	44%	0.438	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-37.6	176.7	-74.3	-168	-65.2	-117.8	1	113.9	L320 R321 R322 V326 G328 K363	L320-R324 WeakPolarHBondContact O-CG 3.48Å; L320-R324 PolarHBondContact O-N 3.48Å; R321-R324 PolarHBondContact O-N 2.95Å; R322-R324 PolarHBondContact O-N 3.16Å; R324-V326 VanDerWaalsContact C-N 3.27Å; R324-V326 PolarHBondContact O-N 3.15Å; R324-G328 PolarHBondContact O-N 3.49Å; R324-G328 VanDerWaalsContact O-N 3.08Å; R324-K363 PolarHBondContact NH1-O 3.47Å
325	H	81	Confident	70	Confident	148 Å²	148	90.2 Å²	90.2	69%	0.685	49%	0.487	S	S	*	.	H	α-helix	trans	-66.7	-30.2	177.9	-74	-62.4	0	0	0	112.9	R321 R322 F323	R321-H325 PolarHBondContact O-CD2 2.88Å; R321-H325 PolarHBondContact O-N 3.14Å; R322-H325 PolarHBondContact O-N 3.23Å; F323-H325 VanDerWaalsContact C-N 3.33Å; F323-H325 PolarHBondContact O-N 3.27Å
326	V	77.1	Confident	67	Low	125 Å²	125	93.4 Å²	93.4	76%	0.758	52%	0.521	S	S	*	.	H	α-helix	trans	-84.6	-41.1	178.5	178.4	0	0	0	0	111.4	R322 F323 R324	R322-V326 PolarHBondContact O-N 3.16Å; F323-V326 PolarHBondContact O-N 2.82Å; F323-V326 VanDerWaalsContact O-N 3.16Å; R324-V326 VanDerWaalsContact C-N 3.27Å; R324-V326 PolarHBondContact O-N 3.15Å
327	S	72.3	Confident	63.9	Low	78 Å²	78	103.4 Å²	103.4	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-86.5	-11.7	-173.7	-53.4	0	0	0	0	114.7	F323	F323-S327 WeakPolarHBondContact CE1-OG 3.06Å; F323-S327 WeakPolarHBondContact CZ-OG 3.45Å; F323-S327 WeakPolarHBondContact O-CB 3.25Å; F323-S327 PolarHBondContact O-N 3.35Å; F323-S327 PolarHBondContact O-OG 3.27Å
328	G	55.9	Low	61	Low	67 Å²	67	106 Å²	106	69%	0.691	59%	0.588	S	S	*	*	S	Bend	trans	-124.3	23.4	-166.4	0	0	0	0	0	116.3	R324	R324-G328 PolarHBondContact O-N 3.49Å; R324-G328 VanDerWaalsContact O-N 3.08Å
329	G	41.6	Very low	58	Low	50 Å²	50	112.2 Å²	112.2	52%	0.515	62%	0.615	S	S	.	*			trans	-122.5	100	177.4	0	0	0	0	0	111.6	K331	G329-K331 PolarHBondContact O-N 3.13Å
330	D	39	Very low	55.2	Low	180 Å²	180	121.2 Å²	121.2	96%	0.963	65%	0.65	S	S	*	*			trans	-66.9	38.2	168.2	-140.5	8.4	0	0	0	112
331	K	38.7	Very low	52.4	Low	187 Å²	187	130.6 Å²	130.6	81%	0.813	69%	0.691	S	S	*	*			trans	-116.2	107.8	179.7	-68.6	-169.6	177.9	-175.7	0	107.8	G329	G329-K331 PolarHBondContact O-N 3.13Å
332	S	31	Very low	50.2	Low	83 Å²	83	133.1 Å²	133.1	58%	0.58	71%	0.706	S	S	*	*			trans	-35.8	141.3	162.4	50.4	0	0	0	0	111.6	T334	S332-T334 PolarHBondContact O-N 2.86Å; S332-T334 PolarHBondContact OG-OG1 3.23Å
333	P	34.3	Very low	48.6	Very low	137 Å²	137	134.7 Å²	134.7	89%	0.89	73%	0.725	S	S	*	*	S	Bend	trans	-73.4	79.6	174.7	30.7	-31.5	0	0	0	109.1
334	T	37.1	Very low	47.8	Very low	104 Å²	104	136.4 Å²	136.4	64%	0.638	75%	0.746	S	S	*	*			trans	-132.8	112	170.3	43.6	0	0	0	0	109.3	S332	S332-T334 PolarHBondContact O-N 2.86Å; S332-T334 PolarHBondContact OG-OG1 3.23Å
335	E	31.9	Very low	47.7	Very low	199 Å²	199	132.2 Å²	132.2	93%	0.93	73%	0.733	S	S	*	*	S	Bend	trans	61.9	89.6	155.7	-58.5	-176.7	170.7	0	0	117
336	G	32.7	Very low	48.1	Very low	70 Å²	70	126.3 Å²	126.3	72%	0.722	71%	0.71	S	S	*	*			trans	-172.7	58.2	172.6	0	0	0	0	0	113	S338	G336-S338 VanDerWaalsContact C-N 3.26Å; G336-S338 PolarHBondContact O-N 2.8Å
337	H	32	Very low	48.8	Very low	211 Å²	211	127.3 Å²	127.3	98%	0.977	71%	0.707	S	S	*	*			trans	-66.9	85.6	164.9	-73.5	-17.9	0	0	0	109.6
338	S	35.8	Very low	49.9	Very low	86 Å²	86	123.8 Å²	123.8	60%	0.601	68%	0.682	S	S	*	*			trans	-143.6	101.4	170	-155.2	0	0	0	0	112.5	G336 Y340	G336-S338 VanDerWaalsContact C-N 3.26Å; G336-S338 PolarHBondContact O-N 2.8Å; S338-Y340 PolarHBondContact O-N 3.14Å
339	Q	30.4	Very low	51.7	Low	186 Å²	186	121.8 Å²	121.8	87%	0.869	65%	0.653	S	S	*	*			trans	57.1	38.2	139	-69.5	-173.6	-20.4	0	0	121.3
340	Y	35.9	Very low	54.1	Low	208 Å²	208	122 Å²	122	82%	0.816	65%	0.645	S	S	*	*			trans	-97.7	111.2	149.5	-70.9	-81.9	0	0	0	108.5	S338 K342	S338-Y340 PolarHBondContact O-N 3.14Å; Y340-K342 VanDerWaalsContact C-N 3.31Å; Y340-K342 PolarHBondContact O-N 2.96Å
341	K	36.3	Very low	56.7	Low	199 Å²	199	115 Å²	115	87%	0.865	61%	0.609	S	S	*	*			trans	-48.5	106	158.7	-88.8	-179.1	175.4	178.2	0	105.2	V343	K341-V343 PolarHBondContact O-N 3.12Å
342	K	47.8	Very low	59.1	Low	199 Å²	199	107 Å²	107	87%	0.865	58%	0.576	S	S	*	*			trans	-52.4	100.2	163.3	-84.7	-178.2	175.3	179.6	0	104	Y340 S344	Y340-K342 VanDerWaalsContact C-N 3.31Å; Y340-K342 PolarHBondContact O-N 2.96Å; K342-S344 PolarHBondContact O-N 2.98Å
343	V	56.1	Low	61.8	Low	119 Å²	119	109 Å²	109	72%	0.721	59%	0.587	S	S	*	*			trans	-60.9	105.9	167.5	177.7	0	0	0	0	102.8	K341 V345	K341-V343 PolarHBondContact O-N 3.12Å; V343-V345 PolarHBondContact O-N 2.98Å
344	S	70.7	Confident	64.5	Low	112 Å²	112	107.9 Å²	107.9	78%	0.783	57%	0.573	S	S	*	*			trans	-66.1	88.6	-178.3	158	0	0	0	0	107.1	K342	K342-S344 PolarHBondContact O-N 2.98Å
345	V	84.3	Confident	67.2	Low	28 Å²	28	103.5 Å²	103.5	17%	0.17	55%	0.548	C	S	.	.			trans	-73.2	128.9	171	-178.8	0	0	0	0	107.2	V343 Q347 R349 T350	V343-V345 PolarHBondContact O-N 2.98Å; V345-Q347 PolarHBondContact O-N 2.87Å; V345-R349 HydrophobicContact CG1-CB 3.81Å; V345-T350 HydrophobicContact CG1-CG2 4.35Å
346	A	90	Very high	70.2	Confident	25 Å²	25	96.6 Å²	96.6	21%	0.207	53%	0.525	C	S	.	.			trans	-57.5	139.4	176.4	0	0	0	0	0	110.1	S348 R349 D389	A346-S348 PolarHBondContact O-N 3.19Å; A346-S348 VanDerWaalsContact O-N 3.17Å; A346-R349 WeakPolarHBondContact O-CB 3.21Å; A346-R349 PolarHBondContact O-N 3.41Å; A346-D389 HydrophobicContact CB-CB 3.82Å
347	Q	92	Very high	73.2	Confident	146 Å²	146	94.9 Å²	94.9	68%	0.682	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-55	-36.7	-178.5	-176.2	177.5	1.5	0	0	112.3	V345 R349 T350	V345-Q347 PolarHBondContact O-N 2.87Å; Q347-R349 PolarHBondContact O-N 3.15Å; Q347-T350 WeakPolarHBondContact O-CB 3.36Å; Q347-T350 PolarHBondContact O-N 2.97Å; Q347-T350 PolarHBondContact O-OG1 3.26Å
348	S	94.3	Very high	76.1	Confident	3 Å²	3	86 Å²	86	2%	0.021	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-58.6	-17.4	176.3	57.1	0	0	0	0	114.9	Y264 S266 L267 A346 D389	Y264-S348 VanDerWaalsContact O-CB 3.31Å; Y264-S348 WeakPolarHBondContact O-CB 3.45Å; S266-S348 CarbonylContact C-O 3.56Å; S266-S348 WeakPolarHBondContact CA-O 3.43Å; L267-S348 PolarHBondContact N-O 2.85Å; A346-S348 PolarHBondContact O-N 3.19Å; A346-S348 VanDerWaalsContact O-N 3.17Å; S348-D389 WeakPolarHBondContact CB-OD2 3.34Å; S348-D389 PolarHBondContact OG-OD2 3.09Å
349	R	94.3	Very high	78.8	Confident	25 Å²	25	86.6 Å²	86.6	9%	0.094	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-101.9	-4.1	178.8	-68.9	168.2	51.6	-166.2	-3.9	113.3	E273 L315 V345 A346 Q347 D389 F390	E273-R349 IonicContact OE1-CZ 2.63Å; E273-R349 IonicContact OE1-NE 3.02Å; E273-R349 PolarHBondContact OE1-NE 3.45Å; E273-R349 IonicContact OE1-NH2 3.13Å; E273-R349 PolarHBondContact OE1-NH2 2.96Å; E273-R349 IonicContact OE2-CZ 2.66Å; E273-R349 IonicContact OE2-NE 3.79Å; E273-R349 PolarHBondContact OE2-NE 3.26Å; E273-R349 IonicContact OE2-NH2 2.8Å; L315-R349 VanDerWaalsContact CD2-NH2 3.32Å; V345-R349 HydrophobicContact CG1-CB 3.81Å; A346-R349 WeakPolarHBondContact O-CB 3.21Å; A346-R349 PolarHBondContact O-N 3.41Å; Q347-R349 PolarHBondContact O-N 3.15Å; R349-D389 WeakPolarHBondContact CD-O 3.5Å; R349-D389 PolarHBondContact NH1-O 3.43Å; R349-F390 HydrophobicContact CG-CE1 3.83Å; R349-F390 HydrophobicContact CG-CE2 3.9Å; R349-F390 HydrophobicContact CG-CZ 3.48Å; R349-F390 VanDerWaalsContact CG-CZ 3.48Å
350	T	92.7	Very high	81.8	Confident	56 Å²	56	79.3 Å²	79.3	34%	0.344	43%	0.425	S	S	.	.	S	Bend	trans	-83	133.4	-178.8	63.1	0	0	0	0	110.2	I274 V345 Q347 P352	I274-T350 WeakPolarHBondContact CD1-O 3.38Å; V345-T350 HydrophobicContact CG1-CG2 4.35Å; Q347-T350 WeakPolarHBondContact O-CB 3.36Å; Q347-T350 PolarHBondContact O-N 2.97Å; Q347-T350 PolarHBondContact O-OG1 3.26Å; T350-P352 WeakPolarHBondContact O-CD 3.39Å
351	V	91.8	Very high	84.6	Confident	33 Å²	33	71.5 Å²	71.5	20%	0.2	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-61.8	122.7	174.2	-179.1	0	0	0	0	108.1	I274 R277 F319 F357	I274-V351 HydrophobicContact CG1-CG2 4.39Å; R277-V351 HydrophobicContact CB-CG2 4.09Å; R277-V351 HydrophobicContact CG-CG1 4.26Å; R277-V351 HydrophobicContact CG-CG2 4.04Å; F319-V351 HydrophobicContact CD2-CG2 4.39Å; F319-V351 HydrophobicContact CE2-CB 4.4Å; F319-V351 HydrophobicContact CE2-CG2 3.72Å; F319-V351 HydrophobicContact CZ-CG2 3.99Å; V351-F357 HydrophobicContact CG1-CD2 3.83Å; V351-F357 HydrophobicContact CG1-CE2 3.42Å; V351-F357 VanDerWaalsContact CG1-CE2 3.42Å; V351-F357 HydrophobicContact CG1-CZ 4.33Å
352	P	90.9	Very high	87.4	Confident	18 Å²	18	62.1 Å²	62.1	12%	0.117	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-61.1	136.6	-178.9	-21.8	31.6	0	0	0	111	Y115 T350 N354 A355	Y115-P352 HydrophobicContact CE1-CG 3.83Å; Y115-P352 HydrophobicContact CE2-CG 4.19Å; Y115-P352 WeakPolarHBondContact OH-CD 3.49Å; Y115-P352 WeakPolarHBondContact OH-CG 3.39Å; T350-P352 WeakPolarHBondContact O-CD 3.39Å; P352-N354 PolarHBondContact O-N 3.38Å; P352-A355 HydrophobicContact CB-CB 4.18Å; P352-A355 WeakPolarHBondContact O-CB 3.47Å; P352-A355 PolarHBondContact O-N 2.91Å
353	P	87.7	Confident	89.7	Confident	125 Å²	125	58.7 Å²	58.7	81%	0.812	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.6	-176.9	25.4	-34.2	0	0	0	112.9
354	N	90.8	Very high	91.7	Very high	113 Å²	113	53 Å²	53	60%	0.604	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	1.8	-178.7	-60.3	-24.1	0	0	0	113.2	P352 A356	P352-N354 PolarHBondContact O-N 3.38Å; N354-A356 PolarHBondContact O-N 3.01Å
355	A	93.6	Very high	93	Very high	13 Å²	13	47.7 Å²	47.7	11%	0.107	27%	0.272	C	S	.	.			trans	-68.4	131.1	178.7	0	0	0	0	0	110.2	V114 P352 F357	V114-A355 HydrophobicContact CG2-CB 4.26Å; V114-A355 WeakPolarHBondContact O-CA 3.24Å; P352-A355 HydrophobicContact CB-CB 4.18Å; P352-A355 WeakPolarHBondContact O-CB 3.47Å; P352-A355 PolarHBondContact O-N 2.91Å; A355-F357 HydrophobicContact CB-CD2 3.5Å; A355-F357 VanDerWaalsContact CB-CD2 3.5Å; A355-F357 HydrophobicContact CB-CE2 3.32Å; A355-F357 HydrophobicContact CB-CZ 4.36Å; A355-F357 PolarHBondContact O-N 3.33Å
356	A	95.2	Very high	93.7	Very high	53 Å²	53	47.1 Å²	47.1	44%	0.438	27%	0.268	S	S	.	.			trans	-75.5	54	-173.9	0	0	0	0	0	113.5	V114 K116 N354	V114-A356 HydrophobicContact CB-CB 4.3Å; V114-A356 PolarHBondContact O-N 3.4Å; K116-A356 HydrophobicContact CG-CB 4.04Å; N354-A356 PolarHBondContact O-N 3.01Å
357	F	94.5	Very high	94.1	Very high	34 Å²	34	46 Å²	46	15%	0.149	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-80.6	143.3	176.2	-68.6	-71.3	0	0	0	112	V114 R277 F278 H281 V351 A355	V114-F357 HydrophobicContact CG2-CD1 4.23Å; V114-F357 HydrophobicContact CG2-CE1 3.74Å; V114-F357 HydrophobicContact CG2-CE2 4.03Å; V114-F357 HydrophobicContact CG2-CZ 3.63Å; R277-F357 HydrophobicContact CG-CD1 4.31Å; R277-F357 HydrophobicContact CG-CD2 4.48Å; R277-F357 HydrophobicContact CG-CE1 4.11Å; R277-F357 HydrophobicContact CG-CE2 4.31Å; R277-F357 HydrophobicContact CG-CG 4.49Å; R277-F357 HydrophobicContact CG-CZ 4.1Å; F278-F357 HydrophobicContact CB-CE1 3.87Å; F278-F357 HydrophobicContact CB-CZ 4.42Å; F278-F357 AromaticContact CD2-CE1 3.84Å; F278-F357 HydrophobicContact CD2-CE1 3.84Å; F278-F357 HydrophobicContact CG-CE1 4.35Å; H281-F357 HydrophobicContact CB-CD1 3.81Å; H281-F357 HydrophobicContact CB-CE1 4.41Å; H281-F357 AromaticContact CG-CD1 3.98Å; V351-F357 HydrophobicContact CG1-CD2 3.83Å; V351-F357 HydrophobicContact CG1-CE2 3.42Å; V351-F357 VanDerWaalsContact CG1-CE2 3.42Å; V351-F357 HydrophobicContact CG1-CZ 4.33Å; A355-F357 HydrophobicContact CB-CD2 3.5Å; A355-F357 VanDerWaalsContact CB-CD2 3.5Å; A355-F357 HydrophobicContact CB-CE2 3.32Å; A355-F357 HydrophobicContact CB-CZ 4.36Å; A355-F357 PolarHBondContact O-N 3.33Å
358	L	93.8	Very high	94.4	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.131	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-58.8	157.7	159.6	-71.1	-179.8	0	0	0	110.8	R277 H281 T284 L285	R277-L358 PolarHBondContact NH2-O 3.43Å; H281-L358 PolarHBondContact ND1-N 2.59Å; H281-L358 VanDerWaalsContact ND1-N 3.15Å; T284-L358 HydrophobicContact CG2-CD1 3.75Å; L285-L358 HydrophobicContact CD2-CD1 3.66Å; L285-L358 HydrophobicContact CD2-CG 4.44Å; L285-L358 HydrophobicContact CG-CD1 3.77Å
359	P	92.4	Very high	94.5	Very high	98 Å²	98	39 Å²	39	64%	0.636	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-49.8	141.4	175.7	-28.5	35.9	0	0	0	113.6
360	Q	93.1	Very high	94.6	Very high	34 Å²	34	37.9 Å²	37.9	16%	0.159	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-75.9	127.1	176.9	-166.4	-71.5	-62.9	0	0	109	E280 F319 L320 F323 A362	E280-Q360 PolarHBondContact OE1-NE2 3.25Å; E280-Q360 VanDerWaalsContact OE1-NE2 3.08Å; E280-Q360 PolarHBondContact OE2-NE2 3.04Å; F319-Q360 HydrophobicContact CE1-CG 4.41Å; L320-Q360 VanDerWaalsContact CD2-CD 3.49Å; L320-Q360 HydrophobicContact CD2-CG 4.19Å; F323-Q360 HydrophobicContact CD1-CB 4.37Å; F323-Q360 HydrophobicContact CD1-CG 4.3Å; F323-Q360 HydrophobicContact CE1-CB 3.83Å; F323-Q360 HydrophobicContact CE1-CG 4.26Å; F323-Q360 HydrophobicContact CZ-CB 4.06Å; Q360-A362 PolarHBondContact NE2-O 2.97Å
361	T	93.7	Very high	94.7	Very high	43 Å²	43	39.6 Å²	39.6	26%	0.264	22%	0.222	S	C	.	.			trans	-126.1	-27.8	-173.9	57.2	0	0	0	0	114.3	E280 P295 I296 K363	E280-T361 PolarHBondContact OE1-N 3.37Å; E280-T361 PolarHBondContact OE1-OG1 3.33Å; P295-T361 HydrophobicContact CB-CG2 4.16Å; I296-T361 CarbonylContact O-C 3.22Å; I296-T361 PolarHBondContact O-OG1 2.89Å; I296-T361 VanDerWaalsContact O-OG1 3.07Å; T361-K363 PolarHBondContact O-N 2.82Å
362	A	96.3	Very high	94.6	Very high	2 Å²	2	39 Å²	39	2%	0.017	22%	0.218	C	C	.	.			trans	-59.5	133.2	178.6	0	0	0	0	0	112.7	E280 I296 L299 L320 Q360	E280-A362 VanDerWaalsContact CD-CB 3.41Å; E280-A362 HydrophobicContact CG-CB 4.06Å; E280-A362 PolarHBondContact OE1-N 3.5Å; E280-A362 VanDerWaalsContact OE2-CB 3.31Å; E280-A362 WeakPolarHBondContact OE2-CB 3.42Å; I296-A362 WeakPolarHBondContact O-CA 3.48Å; I296-A362 PolarHBondContact O-N 3.23Å; L299-A362 HydrophobicContact CD1-CB 3.83Å; L299-A362 HydrophobicContact CG-CB 3.89Å; L320-A362 HydrophobicContact CD1-CB 4.38Å; L320-A362 WeakPolarHBondContact CD2-O 3.44Å; Q360-A362 PolarHBondContact NE2-O 2.97Å
363	K	96.1	Very high	94.4	Very high	127 Å²	127	39 Å²	39	55%	0.552	22%	0.222	S	C	*	.			trans	-95.3	-18.1	176.1	-64	172.4	-170	153.7	0	112.5	D297 R324 T361	D297-K363 HydrophobicContact CB-CD 4.01Å; D297-K363 HydrophobicContact CB-CG 4.16Å; D297-K363 WeakPolarHBondContact O-CB 3.32Å; D297-K363 PolarHBondContact O-N 2.87Å; D297-K363 IonicContact OD2-NZ 2.88Å; D297-K363 PolarHBondContact OD2-NZ 3.14Å; R324-K363 PolarHBondContact NH1-O 3.47Å; T361-K363 PolarHBondContact O-N 2.82Å
364	G	97.5	Very high	94.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	164.4	175.6	0	0	0	0	0	111.7	L299 N317	L299-G364 PolarHBondContact N-O 3Å; N317-G364 WeakPolarHBondContact OD1-CA 3.39Å
365	I	98.5	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.4	172.6	-175.6	164.2	0	0	0	109.3	L39 F276 L299 F301 S313 Y316 N317	L39-I365 HydrophobicContact CD1-CD1 4.27Å; F276-I365 HydrophobicContact CD1-CD1 3.64Å; F276-I365 HydrophobicContact CE1-CD1 3.93Å; L299-I365 HydrophobicContact CB-CB 3.87Å; L299-I365 HydrophobicContact CB-CD1 3.95Å; L299-I365 HydrophobicContact CB-CG1 3.68Å; L299-I365 HydrophobicContact CD1-CD1 4.27Å; L299-I365 CarbonylContact O-C 3.6Å; L299-I365 VanDerWaalsContact O-CA 3.29Å; L299-I365 WeakPolarHBondContact O-CA 3.49Å; F301-I365 HydrophobicContact CB-CD1 4.05Å; F301-I365 HydrophobicContact CB-CG1 4.37Å; S313-I365 WeakPolarHBondContact O-CG2 3.37Å; Y316-I365 HydrophobicContact CD1-CB 4.36Å; Y316-I365 HydrophobicContact CD1-CD1 4.44Å; Y316-I365 HydrophobicContact CD1-CG2 3.95Å; N317-I365 HydrophobicContact CB-CG2 4.46Å; N317-I365 PolarHBondContact ND2-O 3.32Å; N317-I365 PolarHBondContact OD1-N 2.65Å; N317-I365 PolarHBondContact OD1-O 2.71Å
366	D	98.5	Very high	93.6	Very high	16 Å²	16	36.8 Å²	36.8	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.2	171.1	-65.5	-41.4	0	0	0	109.4	R298 L299 F300 F301 T400 F401	R298-D366 VanDerWaalsContact CZ-CG 3.49Å; R298-D366 IonicContact CZ-OD1 3.34Å; R298-D366 IonicContact CZ-OD2 3.02Å; R298-D366 IonicContact NE-OD1 3.81Å; R298-D366 IonicContact NE-OD2 2.76Å; R298-D366 PolarHBondContact NE-OD2 3.5Å; R298-D366 IonicContact NH2-OD1 3.06Å; R298-D366 PolarHBondContact NH2-OD1 3.46Å; R298-D366 IonicContact NH2-OD2 3.73Å; R298-D366 PolarHBondContact NH2-OD2 3.36Å; L299-D366 PolarHBondContact O-N 2.97Å; F300-D366 CarbonylContact C-O 3.56Å; F300-D366 WeakPolarHBondContact CA-O 3.24Å; F300-D366 HydrophobicContact CD1-CB 3.73Å; F300-D366 HydrophobicContact CE1-CB 3.94Å; F300-D366 WeakPolarHBondContact CE1-OD2 3.36Å; F301-D366 PolarHBondContact N-O 2.8Å; D366-T400 WeakPolarHBondContact CA-OG1 3.44Å; D366-T400 HydrophobicContact CB-CG2 3.96Å; D366-T400 WeakPolarHBondContact OD1-CG2 3.23Å; D366-F401 HydrophobicContact CB-CE2 4.45Å
367	S	98.3	Very high	93	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.4	174.8	61.5	0	0	0	0	110.3	F301 P399 T400 F401	F301-S367 CarbonylContact O-C 3.21Å; S367-P399 WeakPolarHBondContact OG-CA 3.3Å; S367-T400 PolarHBondContact N-OG1 3.21Å; S367-T400 WeakPolarHBondContact O-CB 3.26Å; S367-T400 PolarHBondContact O-N 3.47Å; S367-T400 VanDerWaalsContact O-N 3.1Å; S367-T400 PolarHBondContact OG-N 2.8Å; S367-T400 VanDerWaalsContact OG-N 3.17Å; S367-F401 PolarHBondContact O-N 3.43Å; S367-F401 VanDerWaalsContact O-N 3.11Å
368	I	98.5	Very high	92.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	103.1	176.7	-44.5	-56.8	0	0	0	107.3	F300 F301 F302 G303 F401 V403 I413	F300-I368 HydrophobicContact CB-CG1 4.49Å; F300-I368 HydrophobicContact CD1-CD1 4.33Å; F301-I368 PolarHBondContact O-N 3.49Å; F302-I368 WeakPolarHBondContact CA-O 3.35Å; F302-I368 HydrophobicContact CD1-CB 4.01Å; F302-I368 HydrophobicContact CD1-CG1 4.48Å; F302-I368 HydrophobicContact CD1-CG2 3.89Å; F302-I368 HydrophobicContact CD2-CB 4.47Å; F302-I368 HydrophobicContact CD2-CG1 4.29Å; F302-I368 HydrophobicContact CE1-CB 4.26Å; F302-I368 HydrophobicContact CE1-CG1 4.38Å; F302-I368 HydrophobicContact CE1-CG2 3.9Å; F302-I368 HydrophobicContact CE2-CG1 4.12Å; F302-I368 HydrophobicContact CG-CB 4.13Å; F302-I368 HydrophobicContact CG-CG1 4.45Å; F302-I368 HydrophobicContact CZ-CG1 4.18Å; F302-I368 HydrophobicContact CZ-CG2 4.48Å; G303-I368 PolarHBondContact N-O 2.96Å; I368-F401 WeakPolarHBondContact CA-O 3.25Å; I368-F401 HydrophobicContact CD1-CB 3.82Å; I368-F401 HydrophobicContact CD1-CD2 3.37Å; I368-F401 HydrophobicContact CD1-CE2 4.31Å; I368-F401 HydrophobicContact CD1-CG 3.99Å; I368-V403 HydrophobicContact CG2-CG1 4.3Å; I368-V403 HydrophobicContact CG2-CG2 3.64Å; I368-I413 HydrophobicContact CD1-CD1 3.93Å; I368-I413 HydrophobicContact CD1-CG1 4.49Å
369	L	97.4	Very high	91	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.4	179.5	-178.3	64.1	0	0	0	109.9	G303 P306 V310 Y375 P399 F401 E402 V403	G303-L369 WeakPolarHBondContact O-CA 3.07Å; P306-L369 HydrophobicContact CG-CD1 4Å; P306-L369 HydrophobicContact CG-CD2 3.99Å; V310-L369 HydrophobicContact CG2-CB 4.26Å; V310-L369 HydrophobicContact CG2-CD1 4.09Å; L369-Y375 HydrophobicContact CD1-CD1 4.37Å; L369-Y375 HydrophobicContact CD1-CG 4.11Å; L369-Y375 HydrophobicContact CD2-CD1 3.65Å; L369-Y375 HydrophobicContact CD2-CD2 3.82Å; L369-Y375 HydrophobicContact CD2-CE1 3.73Å; L369-Y375 HydrophobicContact CD2-CE2 3.95Å; L369-Y375 HydrophobicContact CD2-CG 3.68Å; L369-Y375 HydrophobicContact CG-CD1 3.85Å; L369-Y375 HydrophobicContact CG-CE1 4.29Å; L369-Y375 HydrophobicContact CG-CG 4.03Å; L369-P399 HydrophobicContact CB-CB 3.69Å; L369-P399 HydrophobicContact CB-CG 3.85Å; L369-P399 HydrophobicContact CD2-CB 4.44Å; L369-P399 HydrophobicContact CD2-CG 3.85Å; L369-F401 PolarHBondContact N-O 3.2Å; L369-E402 WeakPolarHBondContact O-CA 3.22Å; L369-V403 PolarHBondContact O-N 2.86Å
370	V	96	Very high	89.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	155.7	175.4	-55.1	0	0	0	0	111.4	V45 G303 D304 T372 V403	V45-V370 HydrophobicContact CB-CG2 4.4Å; V45-V370 HydrophobicContact CG2-CG2 3.77Å; G303-V370 PolarHBondContact O-N 2.69Å; D304-V370 HydrophobicContact CB-CG2 3.86Å; V370-T372 VanDerWaalsContact CG2-OG1 3.23Å; V370-T372 WeakPolarHBondContact CG2-OG1 3.24Å; V370-V403 WeakPolarHBondContact CA-O 3.19Å; V370-V403 HydrophobicContact CG1-CG2 3.97Å
371	R	93.8	Very high	88.1	Confident	92 Å²	92	49.1 Å²	49.1	35%	0.347	28%	0.277	S	S	.	.	S	Bend	trans	-97.8	9.3	178.4	-63.7	172.2	175.1	178.8	1.6	113.4	Y375 P377 E402 V403 E404	R371-Y375 HydrophobicContact CG-CD1 4.13Å; R371-Y375 HydrophobicContact CG-CE1 4.18Å; R371-P377 HydrophobicContact CG-CG 4.11Å; R371-E402 IonicContact CZ-OE1 2.7Å; R371-E402 IonicContact NE-OE1 2.65Å; R371-E402 PolarHBondContact NE-OE1 3.23Å; R371-E402 IonicContact NH2-OE1 2.63Å; R371-E402 PolarHBondContact NH2-OE1 3.3Å; R371-V403 PolarHBondContact N-O 3.2Å; R371-E404 IonicContact CZ-OE1 2.72Å; R371-E404 PolarHBondContact N-O 3.47Å; R371-E404 IonicContact NH1-OE1 3.82Å; R371-E404 PolarHBondContact NH1-OE1 2.95Å
372	T	90.9	Very high	86.7	Confident	22 Å²	22	49.5 Å²	49.5	14%	0.135	27%	0.274	C	S	.	.	S	Bend	trans	-87.9	1.4	-175.6	47.2	0	0	0	0	114.7	G44 R48 L53 V370 D405	G44-T372 CarbonylContact O-C 3.57Å; G44-T372 VanDerWaalsContact O-CB 3.26Å; G44-T372 WeakPolarHBondContact O-CB 3.2Å; G44-T372 PolarHBondContact O-OG1 2.76Å; R48-T372 PolarHBondContact NE-O 2.93Å; R48-T372 PolarHBondContact NH2-O 3.14Å; L53-T372 HydrophobicContact CD1-CG2 4.24Å; V370-T372 VanDerWaalsContact CG2-OG1 3.23Å; V370-T372 WeakPolarHBondContact CG2-OG1 3.24Å; T372-D405 HydrophobicContact CG2-CB 3.62Å
373	G	86.4	Confident	85.2	Confident	18 Å²	18	54.2 Å²	54.2	19%	0.186	30%	0.302	C	S	.	.	S	Bend	trans	-137.9	-132	-174.1	0	0	0	0	0	114.6	D304 Y375	D304-G373 WeakPolarHBondContact OD2-CA 3.36Å; G373-Y375 VanDerWaalsContact C-N 3.28Å; G373-Y375 PolarHBondContact O-N 2.9Å
374	V	85	Confident	84	Confident	57 Å²	57	53.2 Å²	53.2	35%	0.345	30%	0.299	S	S	.	.	S	Bend	trans	-56.6	-42.1	-178.7	173.3	0	0	0	0	110.9	D304 N305 K376 R382	D304-V374 WeakPolarHBondContact OD2-CG2 3.36Å; D304-V374 PolarHBondContact OD2-N 2.95Å; N305-V374 HydrophobicContact CB-CB 4.24Å; N305-V374 HydrophobicContact CB-CG1 4.42Å; V374-K376 PolarHBondContact O-N 3.48Å; V374-R382 PolarHBondContact O-NH2 3.41Å
375	Y	86.7	Confident	82.8	Confident	43 Å²	43	59.5 Å²	59.5	17%	0.169	32%	0.324	C	S	.	.			trans	-73.7	114.1	178.8	-179	-102.3	0	0	0	113.4	D304 P306 L369 R371 G373 P377 R382 E402	D304-Y375 WeakPolarHBondContact O-CB 3.35Å; D304-Y375 PolarHBondContact O-N 2.93Å; P306-Y375 HydrophobicContact CG-CD2 3.77Å; P306-Y375 HydrophobicContact CG-CG 4.34Å; L369-Y375 HydrophobicContact CD1-CD1 4.37Å; L369-Y375 HydrophobicContact CD1-CG 4.11Å; L369-Y375 HydrophobicContact CD2-CD1 3.65Å; L369-Y375 HydrophobicContact CD2-CD2 3.82Å; L369-Y375 HydrophobicContact CD2-CE1 3.73Å; L369-Y375 HydrophobicContact CD2-CE2 3.95Å; L369-Y375 HydrophobicContact CD2-CG 3.68Å; L369-Y375 HydrophobicContact CG-CD1 3.85Å; L369-Y375 HydrophobicContact CG-CE1 4.29Å; L369-Y375 HydrophobicContact CG-CG 4.03Å; R371-Y375 HydrophobicContact CG-CD1 4.13Å; R371-Y375 HydrophobicContact CG-CE1 4.18Å; G373-Y375 VanDerWaalsContact C-N 3.28Å; G373-Y375 PolarHBondContact O-N 2.9Å; Y375-P377 HydrophobicContact CE1-CG 3.87Å; Y375-R382 VanDerWaalsContact CA-NH2 3.31Å; Y375-E402 HydrophobicContact CE1-CG 4.17Å; Y375-E402 VanDerWaalsContact CE1-OE1 3.28Å; Y375-E402 WeakPolarHBondContact CE1-OE1 3.4Å; Y375-E402 PolarHBondContact OH-OE1 2.94Å; Y375-E402 PolarHBondContact OH-OE2 3.27Å
376	K	83.3	Confident	82	Confident	104 Å²	104	62 Å²	62	45%	0.452	34%	0.341	S	S	.	.			trans	-116.2	127.6	162.8	-50.9	-163.8	-164.7	110.5	0	111.2	V374 T378 E379 R382	V374-K376 PolarHBondContact O-N 3.48Å; K376-T378 PolarHBondContact O-N 3.05Å; K376-T378 VanDerWaalsContact O-N 3.14Å; K376-E379 HydrophobicContact CB-CB 4.47Å; K376-E379 HydrophobicContact CB-CG 3.95Å; K376-E379 HydrophobicContact CD-CG 4.49Å; K376-E379 WeakPolarHBondContact CD-OE1 3.43Å; K376-E379 IonicContact NZ-OE1 3.8Å; K376-E379 PolarHBondContact NZ-OE1 2.67Å; K376-E379 PolarHBondContact O-N 3.24Å; K376-R382 PolarHBondContact O-NH2 3.4Å
377	P	81.6	Confident	81.5	Confident	68 Å²	68	62.2 Å²	62.2	44%	0.442	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.8	179.2	-25.6	33.1	0	0	0	115.1	R371 Y375	R371-P377 HydrophobicContact CG-CG 4.11Å; Y375-P377 HydrophobicContact CE1-CG 3.87Å
378	T	78.6	Confident	81.1	Confident	135 Å²	135	65.2 Å²	65.2	83%	0.828	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-7.2	-174.9	53.5	0	0	0	0	114.1	K376	K376-T378 PolarHBondContact O-N 3.05Å; K376-T378 VanDerWaalsContact O-N 3.14Å
379	E	69.5	Low	80.8	Confident	86 Å²	86	66.2 Å²	66.2	40%	0.402	36%	0.358	S	S	.	.			trans	-75.9	128.3	177	-77.8	174.3	178.7	0	0	109.8	K376 R382	K376-E379 HydrophobicContact CB-CB 4.47Å; K376-E379 HydrophobicContact CB-CG 3.95Å; K376-E379 HydrophobicContact CD-CG 4.49Å; K376-E379 WeakPolarHBondContact CD-OE1 3.43Å; K376-E379 IonicContact NZ-OE1 3.8Å; K376-E379 PolarHBondContact NZ-OE1 2.67Å; K376-E379 PolarHBondContact O-N 3.24Å; E379-R382 IonicContact OE2-CZ 3.71Å; E379-R382 IonicContact OE2-NE 3.32Å; E379-R382 IonicContact OE2-NH2 3.36Å; E379-R382 PolarHBondContact OE2-NH2 3.41Å
380	G	63.5	Low	80.4	Confident	62 Å²	62	66.2 Å²	66.2	64%	0.639	36%	0.358	S	S	*	.			trans	-68.4	-154.7	176.9	0	0	0	0	0	113.1	R382	G380-R382 PolarHBondContact O-N 3Å
381	T	59.3	Low	79.5	Confident	151 Å²	151	73.2 Å²	73.2	93%	0.926	39%	0.39	S	S	*	.	S	Bend	trans	-43.3	110.8	-176	-39.4	0	0	0	0	112.5
382	R	64.8	Low	78.7	Confident	52 Å²	52	72.3 Å²	72.3	20%	0.196	41%	0.409	C	S	.	.			trans	-81.4	138.2	173.2	-75.8	-168	172.9	153.8	18.6	110.4	V374 Y375 K376 E379 G380 H384	V374-R382 PolarHBondContact O-NH2 3.41Å; Y375-R382 VanDerWaalsContact CA-NH2 3.31Å; K376-R382 PolarHBondContact O-NH2 3.4Å; E379-R382 IonicContact OE2-CZ 3.71Å; E379-R382 IonicContact OE2-NE 3.32Å; E379-R382 IonicContact OE2-NH2 3.36Å; E379-R382 PolarHBondContact OE2-NH2 3.41Å; G380-R382 PolarHBondContact O-N 3Å; R382-H384 PolarHBondContact O-CD2 3.08Å; R382-H384 PolarHBondContact O-N 2.99Å
383	V	66	Low	78.1	Confident	100 Å²	100	71.6 Å²	71.6	61%	0.606	41%	0.406	S	S	*	.			trans	-80.5	105.7	168.2	-174.7	0	0	0	0	107.2	Y385	V383-Y385 HydrophobicContact CB-CE2 3.97Å; V383-Y385 HydrophobicContact CG1-CD1 4.31Å; V383-Y385 HydrophobicContact CG1-CD2 4.31Å; V383-Y385 HydrophobicContact CG1-CE1 3.71Å; V383-Y385 HydrophobicContact CG1-CE2 3.69Å; V383-Y385 WeakPolarHBondContact O-CD2 3.43Å; V383-Y385 PolarHBondContact O-N 3.42Å
384	H	70.4	Confident	77.3	Confident	107 Å²	107	74.1 Å²	74.1	50%	0.495	43%	0.425	S	S	.	.			trans	-74.4	114.5	177.7	-64.9	-77.1	0	0	0	109.7	D307 R382	D307-H384 VanDerWaalsContact CG-ND1 3.34Å; D307-H384 IonicContact OD1-CE1 3.46Å; D307-H384 PolarHBondContact OD1-CE1 3.01Å; D307-H384 IonicContact OD1-CG 3.59Å; D307-H384 IonicContact OD1-ND1 2.71Å; D307-H384 PolarHBondContact OD1-ND1 2.86Å; D307-H384 IonicContact OD2-CE1 2.62Å; D307-H384 IonicContact OD2-ND1 3.83Å; D307-H384 PolarHBondContact OD2-ND1 3.45Å; R382-H384 PolarHBondContact O-CD2 3.08Å; R382-H384 PolarHBondContact O-N 2.99Å
385	Y	72.5	Confident	77.2	Confident	133 Å²	133	77.2 Å²	77.2	52%	0.522	44%	0.44	S	S	.	.			trans	-104.3	115.4	171.8	-64.2	-67.8	0	0	0	109.1	L230 V383	L230-Y385 HydrophobicContact CB-CG 4.43Å; L230-Y385 HydrophobicContact CD2-CD1 3.12Å; L230-Y385 HydrophobicContact CD2-CD2 4.14Å; L230-Y385 HydrophobicContact CD2-CE1 3.51Å; L230-Y385 HydrophobicContact CD2-CE2 4.45Å; L230-Y385 HydrophobicContact CD2-CG 3.46Å; L230-Y385 VanDerWaalsContact CD2-CG 3.46Å; V383-Y385 HydrophobicContact CB-CE2 3.97Å; V383-Y385 HydrophobicContact CG1-CD1 4.31Å; V383-Y385 HydrophobicContact CG1-CD2 4.31Å; V383-Y385 HydrophobicContact CG1-CE1 3.71Å; V383-Y385 HydrophobicContact CG1-CE2 3.69Å; V383-Y385 WeakPolarHBondContact O-CD2 3.43Å; V383-Y385 PolarHBondContact O-N 3.42Å
386	C	80.1	Confident	77.3	Confident	53 Å²	53	76.9 Å²	76.9	36%	0.358	44%	0.441	S	S	.	.			trans	-135.6	134.3	-179.5	-159.1	0	0	0	0	109.4	F390	C386-F390 WeakPolarHBondContact SG-CB 3.27Å
387	H	89.3	Confident	77.6	Confident	20 Å²	20	73.3 Å²	73.3	9%	0.093	43%	0.428	C	S	.	.			trans	-58.6	147.1	175.9	-177.5	-93	0	0	0	110.4	M228 Q251 Y264 L267 D389 F390 Q391	M228-H387 HydrophobicContact CB-CB 4.16Å; M228-H387 HydrophobicContact CG-CB 4.37Å; M228-H387 HydrophobicContact SD-CB 3.97Å; Q251-H387 PolarHBondContact NE2-NE2 2.98Å; Y264-H387 AromaticContact CE2-NE2 3.95Å; L267-H387 VanDerWaalsContact CD1-CE1 3.45Å; L267-H387 WeakPolarHBondContact CD1-CE1 3.43Å; L267-H387 WeakPolarHBondContact CD1-ND1 3.49Å; H387-D389 IonicContact CE1-OD2 3.98Å; H387-D389 PolarHBondContact ND1-N 3.38Å; H387-D389 PolarHBondContact O-N 3.13Å; H387-F390 HydrophobicContact CB-CD2 4.11Å; H387-F390 WeakPolarHBondContact O-CA 3.46Å; H387-F390 PolarHBondContact O-N 3.11Å; H387-Q391 PolarHBondContact O-N 3.19Å
388	R	90.1	Very high	78.2	Confident	63 Å²	63	76.3 Å²	76.3	24%	0.238	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-55.6	-29.7	-172.1	72.3	-174	175.8	-162.9	-4.8	115	Q251 K261 L262 F390 Q391	Q251-R388 VanDerWaalsContact OE1-NH1 3.12Å; K261-R388 VanDerWaalsContact CE-CZ 3.44Å; K261-R388 VanDerWaalsContact CE-NE 3.3Å; L262-R388 PolarHBondContact O-NH2 3.49Å; R388-F390 PolarHBondContact O-N 3.23Å; R388-Q391 VanDerWaalsContact CA-CD 3.49Å; R388-Q391 WeakPolarHBondContact O-CB 3.31Å; R388-Q391 PolarHBondContact O-N 3.21Å
389	D	90.9	Very high	79	Confident	23 Å²	23	71.7 Å²	71.7	12%	0.123	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-76.1	-5.3	-180	-68.7	-0.4	0	0	0	113.3	L267 A346 S348 R349 H387	L267-D389 HydrophobicContact CD1-CB 3.8Å; L267-D389 WeakPolarHBondContact CD1-OD2 3.44Å; A346-D389 HydrophobicContact CB-CB 3.82Å; S348-D389 WeakPolarHBondContact CB-OD2 3.34Å; S348-D389 PolarHBondContact OG-OD2 3.09Å; R349-D389 WeakPolarHBondContact CD-O 3.5Å; R349-D389 PolarHBondContact NH1-O 3.43Å; H387-D389 IonicContact CE1-OD2 3.98Å; H387-D389 PolarHBondContact ND1-N 3.38Å; H387-D389 PolarHBondContact O-N 3.13Å
390	F	89.2	Confident	80.3	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.009	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-115.9	-1.5	175.7	-62.8	-97.7	0	0	0	112.1	M228 L267 P271 L315 R349 C386 H387 R388 G392 A393	M228-F390 HydrophobicContact CE-CE2 3.65Å; M228-F390 HydrophobicContact CE-CZ 3.72Å; M228-F390 HydrophobicContact SD-CD2 3.97Å; M228-F390 HydrophobicContact SD-CE2 3.26Å; M228-F390 WeakPolarHBondContact SD-CE2 3.37Å; M228-F390 HydrophobicContact SD-CZ 3.97Å; L267-F390 HydrophobicContact CB-CE2 4.41Å; L267-F390 HydrophobicContact CD1-CE2 3.91Å; P271-F390 HydrophobicContact CG-CD1 3.89Å; P271-F390 HydrophobicContact CG-CE1 3.92Å; P271-F390 HydrophobicContact CG-CG 4.45Å; L315-F390 HydrophobicContact CD1-CD1 3.66Å; L315-F390 HydrophobicContact CD1-CE1 3.92Å; R349-F390 HydrophobicContact CG-CE1 3.83Å; R349-F390 HydrophobicContact CG-CE2 3.9Å; R349-F390 HydrophobicContact CG-CZ 3.48Å; R349-F390 VanDerWaalsContact CG-CZ 3.48Å; C386-F390 WeakPolarHBondContact SG-CB 3.27Å; H387-F390 HydrophobicContact CB-CD2 4.11Å; H387-F390 WeakPolarHBondContact O-CA 3.46Å; H387-F390 PolarHBondContact O-N 3.11Å; R388-F390 PolarHBondContact O-N 3.23Å; F390-G392 PolarHBondContact O-N 3.18Å; F390-G392 VanDerWaalsContact O-N 3.12Å; F390-A393 PolarHBondContact O-N 3.38Å; F390-A393 VanDerWaalsContact O-N 3.15Å
391	Q	78.2	Confident	82	Confident	146 Å²	146	70.4 Å²	70.4	68%	0.682	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	115.7	172.8	-73.9	171.6	-4.1	0	0	109.4	H387 R388	H387-Q391 PolarHBondContact O-N 3.19Å; R388-Q391 VanDerWaalsContact CA-CD 3.49Å; R388-Q391 WeakPolarHBondContact O-CB 3.31Å; R388-Q391 PolarHBondContact O-N 3.21Å
392	G	75.6	Confident	83.8	Confident	73 Å²	73	66.7 Å²	66.7	75%	0.753	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.4	-3.8	-175.1	0	0	0	0	0	115	F390	F390-G392 PolarHBondContact O-N 3.18Å; F390-G392 VanDerWaalsContact O-N 3.12Å
393	A	79.4	Confident	85.3	Confident	7 Å²	7	64.4 Å²	64.4	6%	0.058	36%	0.356	C	S	.	.			trans	-103.8	14.6	174.3	0	0	0	0	0	113.4	L311 L315 F390 D395 L396	L311-A393 HydrophobicContact CD1-CB 3.81Å; L311-A393 WeakPolarHBondContact CD1-O 3.32Å; L315-A393 HydrophobicContact CD2-CB 3.91Å; F390-A393 PolarHBondContact O-N 3.38Å; F390-A393 VanDerWaalsContact O-N 3.15Å; A393-D395 PolarHBondContact O-N 3.32Å; A393-D395 VanDerWaalsContact O-N 3.17Å; A393-L396 HydrophobicContact CB-CD1 4.15Å; A393-L396 WeakPolarHBondContact O-CB 3.47Å; A393-L396 PolarHBondContact O-N 2.57Å
394	A	70.1	Confident	86.8	Confident	72 Å²	72	64.4 Å²	64.4	60%	0.595	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.8	-173.3	0	0	0	0	0	113.7	L396 V397	A394-L396 VanDerWaalsContact C-N 3.27Å; A394-V397 WeakPolarHBondContact O-CG2 3.23Å
395	D	81.5	Confident	88.1	Confident	121 Å²	121	60.5 Å²	60.5	65%	0.647	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-78.4	-8.9	174.5	60.6	-34.5	0	0	0	113.4	A393 V397	A393-D395 PolarHBondContact O-N 3.32Å; A393-D395 VanDerWaalsContact O-N 3.17Å; D395-V397 VanDerWaalsContact C-N 3.33Å; D395-V397 PolarHBondContact O-N 2.87Å
396	L	89.8	Confident	89.3	Confident	37 Å²	37	54.2 Å²	54.2	19%	0.194	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-94.5	23.8	-177.5	-58.6	-179.6	0	0	0	113.5	L311 N314 L315 N318 A393 A394	L311-L396 WeakPolarHBondContact CA-O 3.19Å; L311-L396 HydrophobicContact CD1-CB 3.74Å; N314-L396 HydrophobicContact CB-CB 3.88Å; N314-L396 WeakPolarHBondContact CB-O 3.37Å; N314-L396 PolarHBondContact ND2-O 2.95Å; L315-L396 HydrophobicContact CD2-CD1 3.73Å; L315-L396 HydrophobicContact CG-CD1 4.36Å; N318-L396 VanDerWaalsContact ND2-CD1 3.33Å; N318-L396 WeakPolarHBondContact ND2-CD1 3.42Å; A393-L396 HydrophobicContact CB-CD1 4.15Å; A393-L396 WeakPolarHBondContact O-CB 3.47Å; A393-L396 PolarHBondContact O-N 2.57Å; A394-L396 VanDerWaalsContact C-N 3.27Å
397	V	89.7	Confident	90.1	Very high	29 Å²	29	53.2 Å²	53.2	18%	0.176	30%	0.299	C	S	.	.			trans	-96.1	6.8	-179.7	-59.3	0	0	0	0	113.7	P306 V310 L311 A394 D395	P306-V397 HydrophobicContact CB-CB 4.2Å; V310-V397 WeakPolarHBondContact CG1-O 3.37Å; L311-V397 HydrophobicContact CB-CG1 4.42Å; A394-V397 WeakPolarHBondContact O-CG2 3.23Å; D395-V397 VanDerWaalsContact C-N 3.33Å; D395-V397 PolarHBondContact O-N 2.87Å
398	L	93	Very high	90.6	Very high	131 Å²	131	56.2 Å²	56.2	69%	0.686	31%	0.313	S	S	*	.			trans	-83.8	123.6	176	-68.9	176.3	0	0	0	110.9	V310 N314	V310-L398 VanDerWaalsContact CG1-C 3.42Å; V310-L398 WeakPolarHBondContact CG1-O 3.23Å; N314-L398 PolarHBondContact ND2-O 3.23Å
399	P	96	Very high	91	Very high	37 Å²	37	53.2 Å²	53.2	24%	0.24	30%	0.301	C	S	.	.			trans	-78.3	156.4	179.8	33.5	-37.1	0	0	0	112.5	V310 S367 L369	V310-P399 HydrophobicContact CG1-CB 4.08Å; V310-P399 HydrophobicContact CG2-CB 3.97Å; S367-P399 WeakPolarHBondContact OG-CA 3.3Å; L369-P399 HydrophobicContact CB-CB 3.69Å; L369-P399 HydrophobicContact CB-CG 3.85Å; L369-P399 HydrophobicContact CD2-CB 4.44Å; L369-P399 HydrophobicContact CD2-CG 3.85Å
400	T	97.7	Very high	91.3	Very high	59 Å²	59	52.2 Å²	52.2	36%	0.362	30%	0.296	S	S	.	.	S	Bend	trans	-66.6	-43.9	169.2	-44.9	0	0	0	0	111.5	D366 S367	D366-T400 WeakPolarHBondContact CA-OG1 3.44Å; D366-T400 HydrophobicContact CB-CG2 3.96Å; D366-T400 WeakPolarHBondContact OD1-CG2 3.23Å; S367-T400 PolarHBondContact N-OG1 3.21Å; S367-T400 WeakPolarHBondContact O-CB 3.26Å; S367-T400 PolarHBondContact O-N 3.47Å; S367-T400 VanDerWaalsContact O-N 3.1Å; S367-T400 PolarHBondContact OG-N 2.8Å; S367-T400 VanDerWaalsContact OG-N 3.17Å
401	F	97.9	Very high	91.7	Very high	62 Å²	62	56.4 Å²	56.4	27%	0.272	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.2	177.9	-57.6	-81.6	0	0	0	109.9	D366 S367 I368 L369 L412 L416	D366-F401 HydrophobicContact CB-CE2 4.45Å; S367-F401 PolarHBondContact O-N 3.43Å; S367-F401 VanDerWaalsContact O-N 3.11Å; I368-F401 WeakPolarHBondContact CA-O 3.25Å; I368-F401 HydrophobicContact CD1-CB 3.82Å; I368-F401 HydrophobicContact CD1-CD2 3.37Å; I368-F401 HydrophobicContact CD1-CE2 4.31Å; I368-F401 HydrophobicContact CD1-CG 3.99Å; L369-F401 PolarHBondContact N-O 3.2Å; F401-L412 HydrophobicContact CB-CD2 4.13Å; F401-L412 HydrophobicContact CD1-CD2 3.76Å; F401-L412 HydrophobicContact CE1-CD2 4.28Å; F401-L412 HydrophobicContact CG-CD2 3.89Å; F401-L416 HydrophobicContact CE1-CD1 4.37Å; F401-L416 HydrophobicContact CE2-CD1 4.28Å; F401-L416 HydrophobicContact CZ-CD1 3.82Å
402	E	97.1	Very high	92.7	Very high	73 Å²	73	52.1 Å²	52.1	34%	0.341	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.5	170.3	-172.6	-179.1	144.4	0	0	108	L369 R371 Y375	L369-E402 WeakPolarHBondContact O-CA 3.22Å; R371-E402 IonicContact CZ-OE1 2.7Å; R371-E402 IonicContact NE-OE1 2.65Å; R371-E402 PolarHBondContact NE-OE1 3.23Å; R371-E402 IonicContact NH2-OE1 2.63Å; R371-E402 PolarHBondContact NH2-OE1 3.3Å; Y375-E402 HydrophobicContact CE1-CG 4.17Å; Y375-E402 VanDerWaalsContact CE1-OE1 3.28Å; Y375-E402 WeakPolarHBondContact CE1-OE1 3.4Å; Y375-E402 PolarHBondContact OH-OE1 2.94Å; Y375-E402 PolarHBondContact OH-OE2 3.27Å
403	V	97.6	Very high	93.7	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159.9	-175.8	-63.7	0	0	0	0	110	I368 L369 V370 R371 D405 E408 L412	I368-V403 HydrophobicContact CG2-CG1 4.3Å; I368-V403 HydrophobicContact CG2-CG2 3.64Å; L369-V403 PolarHBondContact O-N 2.86Å; V370-V403 WeakPolarHBondContact CA-O 3.19Å; V370-V403 HydrophobicContact CG1-CG2 3.97Å; R371-V403 PolarHBondContact N-O 3.2Å; V403-D405 VanDerWaalsContact CG2-O 3.24Å; V403-D405 WeakPolarHBondContact CG2-O 2.71Å; V403-E408 HydrophobicContact CB-CB 4.23Å; V403-E408 HydrophobicContact CB-CG 4.12Å; V403-E408 HydrophobicContact CG1-CG 4.15Å; V403-L412 HydrophobicContact CG1-CD2 4.32Å
404	E	96.7	Very high	94.5	Very high	100 Å²	100	48.7 Å²	48.7	47%	0.467	26%	0.26	S	S	.	.	S	Bend	trans	-62.6	-48.4	177.4	-67.4	-59.1	146.7	0	0	111.2	R371 E408	R371-E404 IonicContact CZ-OE1 2.72Å; R371-E404 PolarHBondContact N-O 3.47Å; R371-E404 IonicContact NH1-OE1 3.82Å; R371-E404 PolarHBondContact NH1-OE1 2.95Å; E404-E408 WeakPolarHBondContact CB-OE2 3.36Å; E404-E408 WeakPolarHBondContact CG-OE2 3.34Å; E404-E408 PolarHBondContact N-OE2 3.1Å
405	D	97.2	Very high	95.7	Very high	24 Å²	24	50 Å²	50	13%	0.128	26%	0.258	C	S	.	.	S	Bend	trans	-152	179.2	-177.1	59.5	50.4	0	0	0	112.2	Q55 T372 V403 L407 E408 G409	Q55-D405 HydrophobicContact CB-CB 4.26Å; Q55-D405 VanDerWaalsContact CG-OD2 3.27Å; Q55-D405 WeakPolarHBondContact CG-OD2 3.46Å; T372-D405 HydrophobicContact CG2-CB 3.62Å; V403-D405 VanDerWaalsContact CG2-O 3.24Å; V403-D405 WeakPolarHBondContact CG2-O 2.71Å; D405-L407 VanDerWaalsContact C-N 3.28Å; D405-L407 PolarHBondContact O-N 2.64Å; D405-L407 WeakPolarHBondContact OD1-CA 3.33Å; D405-L407 VanDerWaalsContact OD1-CB 3.28Å; D405-L407 WeakPolarHBondContact OD1-CB 3.06Å; D405-L407 PolarHBondContact OD1-N 3.34Å; D405-E408 PolarHBondContact O-N 2.67Å; D405-E408 PolarHBondContact OD1-N 3.15Å; D405-E408 VanDerWaalsContact OD1-N 3.08Å; D405-G409 PolarHBondContact O-N 2.7Å
406	C	97.5	Very high	96.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-21.8	-178.6	61.8	0	0	0	0	113.8	F40 V45 A56 F302 V410	F40-C406 HydrophobicContact CE1-CB 4.31Å; V45-C406 HydrophobicContact CG1-CB 4.1Å; V45-C406 PolarHBondContact O-SG 3.37Å; A56-C406 WeakPolarHBondContact CA-SG 3.39Å; F302-C406 HydrophobicContact CD1-CB 4.2Å; C406-V410 WeakPolarHBondContact O-CB 3.3Å; C406-V410 VanDerWaalsContact O-CG2 3.26Å; C406-V410 WeakPolarHBondContact O-CG2 3.15Å; C406-V410 PolarHBondContact O-N 2.69Å
407	L	98.4	Very high	96.6	Very high	33 Å²	33	49.3 Å²	49.3	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-70.1	-48.9	176	173.8	63.2	0	0	0	110.7	Q55 E58 A59 L62 D405 G409 V410 Q411	Q55-L407 HydrophobicContact CB-CB 3.9Å; E58-L407 HydrophobicContact CB-CD1 4.07Å; E58-L407 HydrophobicContact CB-CD2 3.98Å; A59-L407 HydrophobicContact CB-CB 4.2Å; A59-L407 HydrophobicContact CB-CD1 4.14Å; L62-L407 HydrophobicContact CD1-CD1 3.66Å; D405-L407 VanDerWaalsContact C-N 3.28Å; D405-L407 PolarHBondContact O-N 2.64Å; D405-L407 WeakPolarHBondContact OD1-CA 3.33Å; D405-L407 VanDerWaalsContact OD1-CB 3.28Å; D405-L407 WeakPolarHBondContact OD1-CB 3.06Å; D405-L407 PolarHBondContact OD1-N 3.34Å; L407-G409 VanDerWaalsContact C-N 3.29Å; L407-G409 PolarHBondContact O-N 3.06Å; L407-V410 PolarHBondContact O-N 2.74Å; L407-Q411 HydrophobicContact CD1-CG 4.29Å; L407-Q411 WeakPolarHBondContact O-CG 3.35Å; L407-Q411 PolarHBondContact O-N 3.41Å
408	E	98.4	Very high	96.8	Very high	83 Å²	83	56.7 Å²	56.7	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-45.9	175.4	-178.6	-178.1	-168.4	0	0	110.5	V403 E404 D405 V410 Q411 L412	V403-E408 HydrophobicContact CB-CB 4.23Å; V403-E408 HydrophobicContact CB-CG 4.12Å; V403-E408 HydrophobicContact CG1-CG 4.15Å; E404-E408 WeakPolarHBondContact CB-OE2 3.36Å; E404-E408 WeakPolarHBondContact CG-OE2 3.34Å; E404-E408 PolarHBondContact N-OE2 3.1Å; D405-E408 PolarHBondContact O-N 2.67Å; D405-E408 PolarHBondContact OD1-N 3.15Å; D405-E408 VanDerWaalsContact OD1-N 3.08Å; E408-V410 PolarHBondContact O-N 3.35Å; E408-Q411 PolarHBondContact O-N 3.45Å; E408-L412 WeakPolarHBondContact O-CB 3.21Å; E408-L412 PolarHBondContact O-N 2.99Å
409	G	98.4	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-41.2	177.4	0	0	0	0	0	113	F302 D405 L407 L412 I413	F302-G409 VanDerWaalsContact CE1-C 3.46Å; D405-G409 PolarHBondContact O-N 2.7Å; L407-G409 VanDerWaalsContact C-N 3.29Å; L407-G409 PolarHBondContact O-N 3.06Å; G409-L412 WeakPolarHBondContact O-CB 3.44Å; G409-L412 PolarHBondContact O-N 3.11Å; G409-I413 WeakPolarHBondContact O-CG1 3.29Å; G409-I413 PolarHBondContact O-N 2.81Å
410	V	98.2	Very high	96.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-45	175.8	162.5	0	0	0	0	110.8	F40 A59 L62 L63 F302 C406 L407 E408 L412 I413 L414	F40-V410 HydrophobicContact CE1-CG2 4.06Å; F40-V410 HydrophobicContact CZ-CG2 3.77Å; A59-V410 HydrophobicContact CB-CB 4.25Å; A59-V410 HydrophobicContact CB-CG2 4.11Å; L62-V410 HydrophobicContact CB-CG1 4.31Å; L62-V410 HydrophobicContact CD1-CG1 4.48Å; L63-V410 HydrophobicContact CD1-CG2 4.35Å; L63-V410 HydrophobicContact CD2-CG1 3.76Å; L63-V410 HydrophobicContact CG-CG1 4.08Å; F302-V410 HydrophobicContact CE1-CG2 4.05Å; F302-V410 HydrophobicContact CZ-CG2 3.91Å; C406-V410 WeakPolarHBondContact O-CB 3.3Å; C406-V410 VanDerWaalsContact O-CG2 3.26Å; C406-V410 WeakPolarHBondContact O-CG2 3.15Å; C406-V410 PolarHBondContact O-N 2.69Å; L407-V410 PolarHBondContact O-N 2.74Å; E408-V410 PolarHBondContact O-N 3.35Å; V410-L412 VanDerWaalsContact C-N 3.33Å; V410-L412 PolarHBondContact O-N 2.93Å; V410-I413 PolarHBondContact O-N 3.21Å; V410-L414 HydrophobicContact CG1-CD1 3.74Å; V410-L414 HydrophobicContact CG1-CG 4.14Å; V410-L414 WeakPolarHBondContact O-CB 3.43Å; V410-L414 VanDerWaalsContact O-CG 3.27Å; V410-L414 WeakPolarHBondContact O-CG 3.42Å; V410-L414 PolarHBondContact O-N 3.28Å
411	Q	97.8	Very high	95.7	Very high	91 Å²	91	48.9 Å²	48.9	43%	0.425	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-44.3	175.8	-71.7	173.3	-14.7	0	0	111.7	L62 L407 E408 N415	L62-Q411 HydrophobicContact CD1-CG 3.69Å; L407-Q411 HydrophobicContact CD1-CG 4.29Å; L407-Q411 WeakPolarHBondContact O-CG 3.35Å; L407-Q411 PolarHBondContact O-N 3.41Å; E408-Q411 PolarHBondContact O-N 3.45Å; Q411-N415 WeakPolarHBondContact O-CB 3.38Å; Q411-N415 PolarHBondContact O-N 2.91Å; Q411-N415 PolarHBondContact O-ND2 3.49Å
412	L	98	Very high	94.5	Very high	56 Å²	56	49 Å²	49	29%	0.293	24%	0.237	S	C	.	.	H	α-helix	trans	-57.2	-51	174.8	175.8	67.1	0	0	0	111.2	F401 V403 E408 G409 V410 N415 L416	F401-L412 HydrophobicContact CB-CD2 4.13Å; F401-L412 HydrophobicContact CD1-CD2 3.76Å; F401-L412 HydrophobicContact CE1-CD2 4.28Å; F401-L412 HydrophobicContact CG-CD2 3.89Å; V403-L412 HydrophobicContact CG1-CD2 4.32Å; E408-L412 WeakPolarHBondContact O-CB 3.21Å; E408-L412 PolarHBondContact O-N 2.99Å; G409-L412 WeakPolarHBondContact O-CB 3.44Å; G409-L412 PolarHBondContact O-N 3.11Å; V410-L412 VanDerWaalsContact C-N 3.33Å; V410-L412 PolarHBondContact O-N 2.93Å; L412-N415 PolarHBondContact O-N 3.34Å; L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.22Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.45Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 VanDerWaalsContact O-CG 3.28Å; L412-L416 WeakPolarHBondContact O-CG 3.3Å; L412-L416 PolarHBondContact O-N 3.47Å
413	I	97.6	Very high	93.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-45.1	-177.8	-63.5	-39.9	0	0	0	111.8	F36 L38 F300 F302 I368 G409 V410 N415 L416 Q417	F36-I413 HydrophobicContact CD2-CG2 4.26Å; F36-I413 HydrophobicContact CE2-CG2 4.1Å; L38-I413 HydrophobicContact CD2-CG2 3.93Å; F300-I413 HydrophobicContact CB-CG1 4.31Å; F300-I413 HydrophobicContact CD1-CD1 3.3Å; F300-I413 HydrophobicContact CD1-CG1 3.82Å; F300-I413 HydrophobicContact CD1-CG2 4.27Å; F300-I413 HydrophobicContact CD2-CG2 3.6Å; F300-I413 HydrophobicContact CE1-CD1 3.44Å; F300-I413 VanDerWaalsContact CE1-CD1 3.44Å; F300-I413 HydrophobicContact CE1-CG1 4.27Å; F300-I413 HydrophobicContact CE1-CG2 4.36Å; F300-I413 HydrophobicContact CE2-CG2 3.68Å; F300-I413 HydrophobicContact CG-CD1 3.96Å; F300-I413 HydrophobicContact CG-CG1 3.95Å; F300-I413 HydrophobicContact CG-CG2 3.91Å; F300-I413 HydrophobicContact CZ-CD1 4.18Å; F300-I413 HydrophobicContact CZ-CG2 4.08Å; F302-I413 HydrophobicContact CE2-CG1 4.44Å; F302-I413 HydrophobicContact CZ-CG1 4.03Å; I368-I413 HydrophobicContact CD1-CD1 3.93Å; I368-I413 HydrophobicContact CD1-CG1 4.49Å; G409-I413 WeakPolarHBondContact O-CG1 3.29Å; G409-I413 PolarHBondContact O-N 2.81Å; V410-I413 PolarHBondContact O-N 3.21Å; I413-N415 VanDerWaalsContact C-N 3.28Å; I413-N415 PolarHBondContact O-N 3.18Å; I413-L416 HydrophobicContact CD1-CD1 4.04Å; I413-L416 PolarHBondContact O-N 3.43Å; I413-Q417 HydrophobicContact CG2-CG 4.03Å; I413-Q417 WeakPolarHBondContact O-CB 3.3Å; I413-Q417 WeakPolarHBondContact O-CG 3.29Å; I413-Q417 PolarHBondContact O-N 3.01Å
414	L	96.3	Very high	91.3	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-40.6	177.6	-69.6	179.4	0	0	0	111.4	F36 L62 L63 V73 V410 K418 F419	F36-L414 HydrophobicContact CZ-CD2 4.29Å; L62-L414 HydrophobicContact CB-CD1 3.97Å; L63-L414 HydrophobicContact CD2-CD1 4.35Å; L63-L414 HydrophobicContact CD2-CD2 4.12Å; L63-L414 HydrophobicContact CD2-CG 4.5Å; V73-L414 HydrophobicContact CG2-CD2 4.4Å; V410-L414 HydrophobicContact CG1-CD1 3.74Å; V410-L414 HydrophobicContact CG1-CG 4.14Å; V410-L414 WeakPolarHBondContact O-CB 3.43Å; V410-L414 VanDerWaalsContact O-CG 3.27Å; V410-L414 WeakPolarHBondContact O-CG 3.42Å; V410-L414 PolarHBondContact O-N 3.28Å; L414-K418 WeakPolarHBondContact O-CA 3.45Å; L414-K418 PolarHBondContact O-N 2.97Å; L414-F419 VanDerWaalsContact CB-O 3.29Å; L414-F419 WeakPolarHBondContact CB-O 3.29Å; L414-F419 HydrophobicContact CD2-CD1 4.28Å; L414-F419 VanDerWaalsContact CD2-O 3.27Å; L414-F419 WeakPolarHBondContact CD2-O 3.46Å; L414-F419 PolarHBondContact O-N 2.99Å
415	N	95.8	Very high	89	Confident	101 Å²	101	57.1 Å²	57.1	54%	0.54	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-46.2	173.9	-72.5	-30.8	0	0	0	112.4	Q411 L412 I413 Q417 K418 H420	Q411-N415 WeakPolarHBondContact O-CB 3.38Å; Q411-N415 PolarHBondContact O-N 2.91Å; Q411-N415 PolarHBondContact O-ND2 3.49Å; L412-N415 PolarHBondContact O-N 3.34Å; I413-N415 VanDerWaalsContact C-N 3.28Å; I413-N415 PolarHBondContact O-N 3.18Å; N415-Q417 VanDerWaalsContact C-N 3.32Å; N415-Q417 PolarHBondContact O-N 3.02Å; N415-K418 PolarHBondContact O-N 3.46Å; N415-H420 PolarHBondContact OD1-CE1 3.27Å
416	L	95.4	Very high	86.4	Confident	87 Å²	87	60.4 Å²	60.4	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-40.1	178.6	-75.2	172.5	0	0	0	112.1	F401 L412 I413 K418	F401-L416 HydrophobicContact CE1-CD1 4.37Å; F401-L416 HydrophobicContact CE2-CD1 4.28Å; F401-L416 HydrophobicContact CZ-CD1 3.82Å; L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.22Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.45Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 VanDerWaalsContact O-CG 3.28Å; L412-L416 WeakPolarHBondContact O-CG 3.3Å; L412-L416 PolarHBondContact O-N 3.47Å; I413-L416 HydrophobicContact CD1-CD1 4.04Å; I413-L416 PolarHBondContact O-N 3.43Å; L416-K418 VanDerWaalsContact C-N 3.32Å
417	Q	94.6	Very high	83.5	Confident	56 Å²	56	71.5 Å²	71.5	26%	0.262	35%	0.354	S	S	.	.	H	α-helix	trans	-84.9	-4.9	179	-61.3	-55.6	-57.3	0	0	113.3	F36 F300 I413 N415 F419	F36-Q417 HydrophobicContact CD1-CB 3.81Å; F36-Q417 HydrophobicContact CD1-CG 3.63Å; F36-Q417 HydrophobicContact CD2-CG 4.21Å; F36-Q417 HydrophobicContact CE1-CB 3.54Å; F36-Q417 HydrophobicContact CE1-CG 3.8Å; F36-Q417 HydrophobicContact CE2-CG 4.34Å; F36-Q417 HydrophobicContact CG-CG 3.86Å; F36-Q417 HydrophobicContact CZ-CB 4.02Å; F36-Q417 HydrophobicContact CZ-CG 4.15Å; F300-Q417 HydrophobicContact CE2-CG 4.04Å; F300-Q417 HydrophobicContact CZ-CG 4.29Å; I413-Q417 HydrophobicContact CG2-CG 4.03Å; I413-Q417 WeakPolarHBondContact O-CB 3.3Å; I413-Q417 WeakPolarHBondContact O-CG 3.29Å; I413-Q417 PolarHBondContact O-N 3.01Å; N415-Q417 VanDerWaalsContact C-N 3.32Å; N415-Q417 PolarHBondContact O-N 3.02Å; Q417-F419 HydrophobicContact CB-CB 4.39Å; Q417-F419 PolarHBondContact O-N 3.5Å
418	K	93.4	Very high	82.7	Confident	183 Å²	183	73.4 Å²	73.4	80%	0.796	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.4	-175.5	-55.8	179.3	-178.7	177.8	0	112.4	L414 N415 L416	L414-K418 WeakPolarHBondContact O-CA 3.45Å; L414-K418 PolarHBondContact O-N 2.97Å; N415-K418 PolarHBondContact O-N 3.46Å; L416-K418 VanDerWaalsContact C-N 3.32Å
419	F	91.9	Very high	81.9	Confident	12 Å²	12	72.9 Å²	72.9	5%	0.053	36%	0.362	C	S	.	.			trans	-120.5	117.6	-177.2	-168	-102.1	0	0	0	109.6	Q32 P34 F36 R72 V73 L414 Q417 P421	Q32-F419 WeakPolarHBondContact O-CE2 3.39Å; P34-F419 HydrophobicContact CB-CE1 4.3Å; P34-F419 HydrophobicContact CB-CE2 4.31Å; P34-F419 HydrophobicContact CB-CZ 4.18Å; P34-F419 HydrophobicContact CG-CE1 4.45Å; P34-F419 HydrophobicContact CG-CZ 4.13Å; F36-F419 HydrophobicContact CE1-CB 3.84Å; F36-F419 HydrophobicContact CE1-CD1 4.25Å; F36-F419 HydrophobicContact CE1-CG 4.06Å; F36-F419 HydrophobicContact CZ-CB 4.03Å; F36-F419 AromaticContact CZ-CD1 3.99Å; F36-F419 HydrophobicContact CZ-CD1 3.99Å; F36-F419 HydrophobicContact CZ-CG 4.21Å; R72-F419 HydrophobicContact CB-CE1 4.43Å; V73-F419 HydrophobicContact CG2-CD1 3.75Å; V73-F419 HydrophobicContact CG2-CE1 3.53Å; L414-F419 VanDerWaalsContact CB-O 3.29Å; L414-F419 WeakPolarHBondContact CB-O 3.29Å; L414-F419 HydrophobicContact CD2-CD1 4.28Å; L414-F419 VanDerWaalsContact CD2-O 3.27Å; L414-F419 WeakPolarHBondContact CD2-O 3.46Å; L414-F419 PolarHBondContact O-N 2.99Å; Q417-F419 HydrophobicContact CB-CB 4.39Å; Q417-F419 PolarHBondContact O-N 3.5Å; F419-P421 HydrophobicContact CD1-CG 3.84Å; F419-P421 HydrophobicContact CE1-CG 3.6Å
420	H	87.6	Confident	81	Confident	52 Å²	52	76.9 Å²	76.9	24%	0.241	38%	0.382	C	S	.	.			trans	-129.7	90.1	-178.2	-63.1	-60.2	0	0	0	110	N415 D422 K423 Q424	N415-H420 PolarHBondContact OD1-CE1 3.27Å; H420-D422 VanDerWaalsContact C-N 3.28Å; H420-D422 PolarHBondContact O-N 3.08Å; H420-K423 HydrophobicContact CB-CB 4.05Å; H420-K423 HydrophobicContact CB-CD 4.03Å; H420-K423 HydrophobicContact CB-CG 4.23Å; H420-K423 PolarHBondContact O-N 3.15Å; H420-Q424 PolarHBondContact O-N 3.11Å
421	P	83.6	Confident	80	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-52	-43.1	-179.1	-31.7	38.4	0	0	0	114.6	L62 C64 R72 V73 F419 K423 Q424	L62-P421 WeakPolarHBondContact O-CD 3.2Å; L62-P421 WeakPolarHBondContact O-CG 3.39Å; C64-P421 WeakPolarHBondContact O-CB 3.44Å; R72-P421 HydrophobicContact CB-CB 3.83Å; R72-P421 HydrophobicContact CB-CG 4.05Å; R72-P421 HydrophobicContact CG-CB 4.15Å; V73-P421 HydrophobicContact CG2-CG 4.25Å; F419-P421 HydrophobicContact CD1-CG 3.84Å; F419-P421 HydrophobicContact CE1-CG 3.6Å; P421-K423 VanDerWaalsContact C-N 3.29Å; P421-K423 PolarHBondContact O-N 3.31Å; P421-Q424 PolarHBondContact O-N 3.39Å
422	D	73.5	Confident	78.9	Confident	64 Å²	64	80.8 Å²	80.8	34%	0.342	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-69.1	-24.7	-176	64.4	-35.1	0	0	0	113.5	H420	H420-D422 VanDerWaalsContact C-N 3.28Å; H420-D422 PolarHBondContact O-N 3.08Å
423	K	67.9	Low	77.6	Confident	140 Å²	140	82.5 Å²	82.5	61%	0.609	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-94.6	-6.7	-179.4	-66.7	179.3	-174.6	171.5	0	113.8	H420 P421 I425	H420-K423 HydrophobicContact CB-CB 4.05Å; H420-K423 HydrophobicContact CB-CD 4.03Å; H420-K423 HydrophobicContact CB-CG 4.23Å; H420-K423 PolarHBondContact O-N 3.15Å; P421-K423 VanDerWaalsContact C-N 3.29Å; P421-K423 PolarHBondContact O-N 3.31Å; K423-I425 PolarHBondContact O-N 2.89Å
424	Q	59.1	Low	76.2	Confident	58 Å²	58	88.3 Å²	88.3	27%	0.271	44%	0.439	S	S	.	.			trans	-75.4	81.9	173.4	-70.4	-170.8	5.9	0	0	109.2	H420 P421	H420-Q424 PolarHBondContact O-N 3.11Å; P421-Q424 PolarHBondContact O-N 3.39Å
425	I	48.5	Very low	74.6	Confident	151 Å²	151	94.6 Å²	94.6	77%	0.774	47%	0.471	S	S	*	.			trans	-78.7	136.9	171.7	-61.5	171.7	0	0	0	108.2	K423	K423-I425 PolarHBondContact O-N 2.89Å
426	A	43	Very low	72.8	Confident	92 Å²	92	94.1 Å²	94.1	76%	0.76	47%	0.465	S	S	*	.			trans	-33.8	133	-174.2	0	0	0	0	0	116.1
427	K	35.8	Very low	70.8	Confident	234 Å²	234	94.7 Å²	94.7	100%	1.017	47%	0.466	S	S	*	.			trans	-66.9	0	149.5	-91.4	-177.8	179.1	168.5	0	109.6

Retrieved 427 of 427 residues in 167.5 ms (Link to these results)

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