A0A061ACL3_CAEEL Loading...

Cysteine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A061ACL3, Species CAEEL (Caenorhabditis elegans), Gene cars-1, Length 754 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	50.6	Low	60.3	Low	243 Å²	243	149 Å²	149	100%	1.197	80%	0.803	S	S	*	*				0	120.4	0	-76.3	-176.3	174.9	0	0	106.9
2	D	55.1	Low	61.4	Low	101 Å²	101	156.8 Å²	156.8	54%	0.54	81%	0.812	S	S	.	*			trans	-74.7	122	-176.2	-174.1	-13.1	0	0	0	110.1	N4	D2-N4 PolarHBondContact O-N 3.17Å; D2-N4 VanDerWaalsContact O-N 3.17Å; D2-N4 WeakPolarHBondContact OD1-CB 3.39Å; D2-N4 PolarHBondContact OD1-N 2.96Å
3	P	56.3	Low	62.8	Low	120 Å²	120	154.7 Å²	154.7	78%	0.779	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-1.2	178.5	27.8	-32.6	0	0	0	114.3
4	N	58	Low	64.1	Low	134 Å²	134	156.6 Å²	156.6	72%	0.717	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	3.3	-176.9	-71.3	-36.3	0	0	0	116.3	D2 R6	D2-N4 PolarHBondContact O-N 3.17Å; D2-N4 VanDerWaalsContact O-N 3.17Å; D2-N4 WeakPolarHBondContact OD1-CB 3.39Å; D2-N4 PolarHBondContact OD1-N 2.96Å; N4-R6 VanDerWaalsContact C-N 3.34Å; N4-R6 PolarHBondContact O-N 3.21Å; N4-R6 VanDerWaalsContact O-N 3.07Å
5	L	57.2	Low	65.5	Low	151 Å²	151	158.7 Å²	158.7	79%	0.791	81%	0.813	S	S	*	*			trans	-84.5	74.2	172.8	-88.7	150.5	0	0	0	111.3
6	R	63.2	Low	66.8	Low	221 Å²	221	158.8 Å²	158.8	83%	0.834	81%	0.809	S	S	*	*			trans	-74.5	132.6	162.3	-70.1	-173.4	-170.2	-174.2	3.7	108.9	N4 V8	N4-R6 VanDerWaalsContact C-N 3.34Å; N4-R6 PolarHBondContact O-N 3.21Å; N4-R6 VanDerWaalsContact O-N 3.07Å; R6-V8 PolarHBondContact O-N 3.07Å
7	P	60.5	Low	68.2	Low	125 Å²	125	160.3 Å²	160.3	81%	0.812	80%	0.802	S	S	*	*			trans	-58.8	124.9	172.6	-12.7	23.1	0	0	0	109.2	A9	P7-A9 PolarHBondContact O-N 2.92Å
8	V	63.5	Low	69.4	Low	134 Å²	134	158.1 Å²	158.1	81%	0.812	79%	0.793	S	S	*	*			trans	-60.3	111.1	171.3	178.6	0	0	0	0	107	R6 V10	R6-V8 PolarHBondContact O-N 3.07Å; V8-V10 PolarHBondContact O-N 3.01Å
9	A	64.2	Low	70.4	Confident	88 Å²	88	157.9 Å²	157.9	73%	0.727	79%	0.79	S	S	*	*			trans	-61.2	104.8	176.5	0	0	0	0	0	108.5	P7 K11	P7-A9 PolarHBondContact O-N 2.92Å; A9-K11 PolarHBondContact O-N 2.92Å
10	V	65.6	Low	71.2	Confident	128 Å²	128	155 Å²	155	78%	0.776	78%	0.782	S	S	*	*			trans	-62.8	101.9	171.5	-178.9	0	0	0	0	106.7	V8 R12	V8-V10 PolarHBondContact O-N 3.01Å; V10-R12 PolarHBondContact O-N 3.37Å
11	K	69.3	Low	71.8	Confident	194 Å²	194	157.2 Å²	157.2	84%	0.843	79%	0.787	S	S	*	*			trans	-61.6	103.1	173.9	-88.8	-174.8	174.4	-180	0	108	A9 V13	A9-K11 PolarHBondContact O-N 2.92Å; K11-V13 PolarHBondContact O-N 2.93Å
12	R	73.4	Confident	73.2	Confident	242 Å²	242	151.6 Å²	151.6	91%	0.913	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.8	121.7	168.8	-69.6	-176	176.6	-177.7	-0.6	107.8	V10	V10-R12 PolarHBondContact O-N 3.37Å
13	V	79.9	Confident	74.1	Confident	130 Å²	130	151.5 Å²	151.5	79%	0.788	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-84.6	134.5	171.8	-171.5	0	0	0	0	107.8	K11 K15	K11-V13 PolarHBondContact O-N 2.93Å; V13-K15 PolarHBondContact O-N 3.25Å
14	Q	81.1	Confident	75.1	Confident	182 Å²	182	150.6 Å²	150.6	85%	0.85	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-55.2	125.2	172.8	-174.7	94	20.5	0	0	108.3
15	K	85.4	Confident	76	Confident	187 Å²	187	149.7 Å²	149.7	81%	0.813	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-64	149.8	173.4	-66.6	-171	178	-175.5	0	109.7	V13 W17	V13-K15 PolarHBondContact O-N 3.25Å; K15-W17 PolarHBondContact O-N 3.35Å
16	H	85.1	Confident	77.2	Confident	161 Å²	161	146.7 Å²	146.7	75%	0.745	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-54.7	127.9	172.8	-171.9	66.1	0	0	0	109.3	D18	H16-D18 IonicContact CD2-OD1 3.35Å; H16-D18 PolarHBondContact CD2-OD1 3.28Å; H16-D18 IonicContact NE2-OD1 3.74Å
17	W	91.4	Very high	78.5	Confident	184 Å²	184	138.8 Å²	138.8	70%	0.697	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-93.1	118.6	173	172.2	77.1	0	0	0	107.7	K15 Q19 P20	K15-W17 PolarHBondContact O-N 3.35Å; W17-Q19 HydrophobicContact CH2-CB 4.17Å; W17-Q19 HydrophobicContact CH2-CG 4.17Å; W17-Q19 HydrophobicContact CZ3-CB 4.06Å; W17-Q19 HydrophobicContact CZ3-CG 4.41Å; W17-P20 VanDerWaalsContact CZ2-CD 3.48Å; W17-P20 HydrophobicContact CZ2-CG 4.35Å
18	D	89.7	Confident	80.1	Confident	120 Å²	120	139.2 Å²	139.2	64%	0.642	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-80.7	126.6	173.8	-63.2	-59.8	0	0	0	109.6	H16 P20	H16-D18 IonicContact CD2-OD1 3.35Å; H16-D18 PolarHBondContact CD2-OD1 3.28Å; H16-D18 IonicContact NE2-OD1 3.74Å; D18-P20 WeakPolarHBondContact O-CD 3.43Å
19	Q	88.9	Confident	81.7	Confident	155 Å²	155	133.3 Å²	133.3	72%	0.724	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-62.3	126.4	172.8	-175	174.7	2.1	0	0	109.5	W17 K21	W17-Q19 HydrophobicContact CH2-CB 4.17Å; W17-Q19 HydrophobicContact CH2-CG 4.17Å; W17-Q19 HydrophobicContact CZ3-CB 4.06Å; W17-Q19 HydrophobicContact CZ3-CG 4.41Å; Q19-K21 PolarHBondContact O-N 3.39Å
20	P	86.6	Confident	83.3	Confident	99 Å²	99	130.5 Å²	130.5	64%	0.643	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-58	133.3	176.4	-23.6	32.5	0	0	0	111.3	W17 D18	W17-P20 VanDerWaalsContact CZ2-CD 3.48Å; W17-P20 HydrophobicContact CZ2-CG 4.35Å; D18-P20 WeakPolarHBondContact O-CD 3.43Å
21	K	83.9	Confident	84.9	Confident	203 Å²	203	124.5 Å²	124.5	88%	0.883	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-92.9	124.6	171.3	-65.9	-178.3	-179.2	178.8	0	108.8	Q19 A23	Q19-K21 PolarHBondContact O-N 3.39Å; K21-A23 PolarHBondContact O-N 3.17Å
22	N	78.2	Confident	86.2	Confident	124 Å²	124	118.5 Å²	118.5	66%	0.663	60%	0.601	S	S	*	*			trans	-76.4	113.1	173.2	-164.5	3.4	0	0	0	108.9	T24	N22-T24 VanDerWaalsContact C-N 3.3Å; N22-T24 VanDerWaalsContact CG-O 3.25Å; N22-T24 PolarHBondContact ND2-O 3.33Å; N22-T24 PolarHBondContact O-N 3.5Å; N22-T24 PolarHBondContact OD1-O 3.09Å; N22-T24 VanDerWaalsContact OD1-O 3.09Å
23	A	74.2	Confident	87.4	Confident	99 Å²	99	107.3 Å²	107.3	82%	0.818	56%	0.559	S	S	*	*	S	Bend	trans	-76.3	-18.7	-174.1	0	0	0	0	0	113.1	K21	K21-A23 PolarHBondContact O-N 3.17Å
24	T	77.3	Confident	88.2	Confident	101 Å²	101	101.2 Å²	101.2	62%	0.62	52%	0.522	S	S	*	.	S	Bend	trans	-130	124.9	179.4	24.4	0	0	0	0	109.6	N22	N22-T24 VanDerWaalsContact C-N 3.3Å; N22-T24 VanDerWaalsContact CG-O 3.25Å; N22-T24 PolarHBondContact ND2-O 3.33Å; N22-T24 PolarHBondContact O-N 3.5Å; N22-T24 PolarHBondContact OD1-O 3.09Å; N22-T24 VanDerWaalsContact OD1-O 3.09Å
25	P	77.3	Confident	88.8	Confident	115 Å²	115	95.4 Å²	95.4	75%	0.747	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-62.1	142.5	173.9	26	-31.5	0	0	0	109.7
26	P	82.6	Confident	89.2	Confident	89 Å²	89	89.2 Å²	89.2	58%	0.578	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-63.7	148.3	176.5	27.8	-33.8	0	0	0	110.4	Q28	P26-Q28 PolarHBondContact O-N 3.12Å
27	P	91.2	Very high	89.7	Confident	55 Å²	55	86.9 Å²	86.9	36%	0.357	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-52.1	138.7	172	-24.7	33.9	0	0	0	111.4	E512 C515	P27-E512 HydrophobicContact CB-CG 4.44Å; P27-E512 HydrophobicContact CG-CG 3.69Å; P27-C515 HydrophobicContact CB-CB 3.91Å
28	Q	93.8	Very high	89.9	Confident	133 Å²	133	84 Å²	84	62%	0.621	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-103.3	145.4	176	-68.9	-174.2	-28.7	0	0	110	P26 T30 V41 C515	P26-Q28 PolarHBondContact O-N 3.12Å; Q28-T30 PolarHBondContact O-N 2.93Å; Q28-V41 HydrophobicContact CB-CG1 4.48Å; Q28-C515 WeakPolarHBondContact O-CB 3.25Å
29	L	97.4	Very high	90.3	Very high	10 Å²	10	83 Å²	83	5%	0.052	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-63.9	119.7	172.7	177.4	61.3	0	0	0	109.5	F42 F81 F85 Y87 L514 V518	L29-F42 HydrophobicContact CD2-CB 4.21Å; L29-F42 HydrophobicContact CD2-CD1 4.15Å; L29-F42 HydrophobicContact CD2-CG 4.38Å; L29-F42 HydrophobicContact CG-CB 4.1Å; L29-F42 PolarHBondContact O-N 3.45Å; L29-F81 HydrophobicContact CD2-CD1 4.36Å; L29-F81 HydrophobicContact CD2-CD2 4.46Å; L29-F81 HydrophobicContact CD2-CE1 3.9Å; L29-F81 HydrophobicContact CD2-CE2 4.02Å; L29-F81 HydrophobicContact CD2-CZ 3.72Å; L29-F85 HydrophobicContact CB-CE1 4.22Å; L29-F85 HydrophobicContact CB-CZ 4.23Å; L29-F85 HydrophobicContact CD1-CD2 4.44Å; L29-F85 HydrophobicContact CD1-CE2 3.72Å; L29-F85 HydrophobicContact CD1-CZ 3.85Å; L29-F85 HydrophobicContact CD2-CD2 3.91Å; L29-F85 HydrophobicContact CD2-CE2 4.03Å; L29-F85 HydrophobicContact CD2-CG 4.26Å; L29-F85 HydrophobicContact CD2-CZ 4.49Å; L29-F85 HydrophobicContact CG-CE2 4.33Å; L29-F85 HydrophobicContact CG-CZ 4.41Å; L29-Y87 HydrophobicContact CD2-CE2 3.82Å; L29-L514 WeakPolarHBondContact CD1-O 3.31Å; L29-V518 HydrophobicContact CD1-CG2 4.24Å
30	T	98	Very high	90.7	Very high	29 Å²	29	78.6 Å²	78.6	18%	0.178	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.6	167.2	62.1	0	0	0	0	109.4	Q28 E40 V41 C515 S517	Q28-T30 PolarHBondContact O-N 2.93Å; T30-E40 CarbonylContact C-O 3.3Å; T30-E40 WeakPolarHBondContact CA-O 3.32Å; T30-E40 WeakPolarHBondContact CB-O 3.47Å; T30-V41 HydrophobicContact CG2-CG2 4.23Å; T30-C515 PolarHBondContact N-O 2.93Å; T30-C515 PolarHBondContact OG1-O 3.49Å; T30-C515 VanDerWaalsContact OG1-O 3.05Å; T30-S517 WeakPolarHBondContact O-CA 3.33Å; T30-S517 PolarHBondContact O-N 3.07Å
31	V	97.6	Very high	91.2	Very high	2 Å²	2	77 Å²	77	1%	0.012	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.9	177	-68.3	0	0	0	0	109.8	N33 K39 E40 F42 F81 Y400	V31-N33 PolarHBondContact O-N 3.2Å; V31-N33 VanDerWaalsContact O-N 3.09Å; V31-K39 CarbonylContact O-C 3.48Å; V31-K39 WeakPolarHBondContact O-CA 3.29Å; V31-E40 PolarHBondContact N-O 2.99Å; V31-E40 PolarHBondContact O-N 3.25Å; V31-F42 HydrophobicContact CG1-CB 4.2Å; V31-F42 HydrophobicContact CG1-CD2 4.38Å; V31-F42 HydrophobicContact CG2-CB 4.3Å; V31-F42 HydrophobicContact CG2-CD2 4.2Å; V31-F81 HydrophobicContact CG1-CE2 4.41Å; V31-F81 HydrophobicContact CG1-CZ 3.69Å; V31-Y400 HydrophobicContact CG2-CD1 3.42Å; V31-Y400 VanDerWaalsContact CG2-CD1 3.42Å; V31-Y400 HydrophobicContact CG2-CE1 3.85Å; V31-Y400 HydrophobicContact CG2-CG 4.05Å
32	Y	97.8	Very high	91.9	Very high	69 Å²	69	67.7 Å²	67.7	27%	0.271	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	108.8	169.6	-177	-100.3	0	0	0	110	R37 K39 A446 S517	Y32-R37 WeakPolarHBondContact CE2-O 3.28Å; Y32-K39 HydrophobicContact CD2-CG 4.39Å; Y32-A446 HydrophobicContact CD1-CB 4.49Å; Y32-S517 PolarHBondContact N-OG 3.32Å
33	N	97.7	Very high	92.8	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.032	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.9	179.2	-170.6	-4.1	0	0	0	109.6	V31 L35 T36 R37 Q38 E40 N399 Y400 F401	V31-N33 PolarHBondContact O-N 3.2Å; V31-N33 VanDerWaalsContact O-N 3.09Å; N33-L35 PolarHBondContact O-N 3.3Å; N33-L35 WeakPolarHBondContact OD1-CB 3.47Å; N33-L35 PolarHBondContact OD1-N 3.36Å; N33-L35 VanDerWaalsContact OD1-N 3.14Å; N33-T36 PolarHBondContact O-N 2.92Å; N33-R37 WeakPolarHBondContact O-CA 3.19Å; N33-R37 PolarHBondContact O-N 3.46Å; N33-Q38 PolarHBondContact N-O 3.38Å; N33-E40 HydrophobicContact CB-CG 3.95Å; N33-N399 PolarHBondContact ND2-O 3.48Å; N33-Y400 HydrophobicContact CB-CD1 4.41Å; N33-F401 PolarHBondContact OD1-N 3.38Å
34	S	96.1	Very high	93.9	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.014	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.7	179.9	-62.1	0	0	0	0	113.3	F401 H403	S34-F401 WeakPolarHBondContact CB-O 3.4Å; S34-F401 PolarHBondContact N-O 2.91Å; S34-F401 PolarHBondContact OG-O 3.16Å; S34-F401 VanDerWaalsContact OG-O 3.06Å; S34-H403 WeakPolarHBondContact CB-ND1 3.38Å; S34-H403 PolarHBondContact OG-ND1 3.18Å
35	L	94.1	Very high	94.7	Very high	60 Å²	60	60.7 Å²	60.7	31%	0.314	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-45.2	177.2	-172.5	64.8	0	0	0	111.9	N33 K287 L288 F401	N33-L35 PolarHBondContact O-N 3.3Å; N33-L35 WeakPolarHBondContact OD1-CB 3.47Å; N33-L35 PolarHBondContact OD1-N 3.36Å; N33-L35 VanDerWaalsContact OD1-N 3.14Å; L35-K287 HydrophobicContact CD1-CB 3.89Å; L35-L288 HydrophobicContact CB-CD2 4.09Å; L35-L288 HydrophobicContact CD1-CD2 4.03Å; L35-L288 HydrophobicContact CD1-CG 4.41Å; L35-F401 HydrophobicContact CB-CD2 4.17Å
36	T	95.3	Very high	95.5	Very high	58 Å²	58	60.5 Å²	60.5	36%	0.356	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-14.1	179.3	67.6	0	0	0	0	113.1	N33 Q38 E40	N33-T36 PolarHBondContact O-N 2.92Å; T36-Q38 PolarHBondContact O-N 2.98Å; T36-Q38 PolarHBondContact OG1-N 3.11Å; T36-E40 WeakPolarHBondContact CB-OE1 3.42Å; T36-E40 HydrophobicContact CG2-CG 4.49Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.42Å; T36-E40 PolarHBondContact OG1-OE1 2.94Å
37	R	94.8	Very high	96.1	Very high	111 Å²	111	59.5 Å²	59.5	42%	0.419	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	26.4	-172.1	-53	178.3	-174.3	-166.8	-1.8	112.6	Y32 N33 L288 E291	Y32-R37 WeakPolarHBondContact CE2-O 3.28Å; N33-R37 WeakPolarHBondContact O-CA 3.19Å; N33-R37 PolarHBondContact O-N 3.46Å; R37-L288 PolarHBondContact NH2-O 2.88Å; R37-L288 VanDerWaalsContact NH2-O 3.1Å; R37-E291 IonicContact CZ-OE1 3Å; R37-E291 VanDerWaalsContact CZ-OE1 3.3Å; R37-E291 IonicContact CZ-OE2 3.73Å; R37-E291 IonicContact NH1-OE1 3.25Å; R37-E291 PolarHBondContact NH1-OE1 3.44Å; R37-E291 IonicContact NH1-OE2 3.68Å; R37-E291 IonicContact NH2-OE1 3.27Å; R37-E291 PolarHBondContact NH2-OE1 3.36Å; R37-E291 IonicContact NH2-OE2 3.03Å; R37-E291 PolarHBondContact NH2-OE2 2.81Å
38	Q	96.7	Very high	96.3	Very high	125 Å²	125	63.2 Å²	63.2	58%	0.584	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	165.7	-178.2	-65	-179.2	25	0	0	110.4	N33 T36	N33-Q38 PolarHBondContact N-O 3.38Å; T36-Q38 PolarHBondContact O-N 2.98Å; T36-Q38 PolarHBondContact OG1-N 3.11Å
39	K	97.1	Very high	96.5	Very high	99 Å²	99	60.8 Å²	60.8	43%	0.43	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.7	171.8	-65.6	-177.7	179.8	176.6	0	108.6	V31 Y32 D516	V31-K39 CarbonylContact O-C 3.48Å; V31-K39 WeakPolarHBondContact O-CA 3.29Å; Y32-K39 HydrophobicContact CD2-CG 4.39Å; K39-D516 WeakPolarHBondContact CD-OD1 3.36Å; K39-D516 WeakPolarHBondContact CE-OD1 3.3Å; K39-D516 IonicContact NZ-OD1 2.71Å; K39-D516 PolarHBondContact NZ-OD1 3.25Å; K39-D516 IonicContact NZ-OD2 3.14Å; K39-D516 PolarHBondContact NZ-OD2 3.4Å
40	E	97.6	Very high	96.5	Very high	61 Å²	61	60.3 Å²	60.3	29%	0.285	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.9	-177.8	-60	-63.6	167.6	0	0	110.1	T30 V31 N33 T36 F42 Y400	T30-E40 CarbonylContact C-O 3.3Å; T30-E40 WeakPolarHBondContact CA-O 3.32Å; T30-E40 WeakPolarHBondContact CB-O 3.47Å; V31-E40 PolarHBondContact N-O 2.99Å; V31-E40 PolarHBondContact O-N 3.25Å; N33-E40 HydrophobicContact CB-CG 3.95Å; T36-E40 WeakPolarHBondContact CB-OE1 3.42Å; T36-E40 HydrophobicContact CG2-CG 4.49Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.42Å; T36-E40 PolarHBondContact OG1-OE1 2.94Å; E40-F42 PolarHBondContact O-N 3.43Å; E40-Y400 HydrophobicContact CB-CE1 3.94Å
41	V	97.5	Very high	96.6	Very high	65 Å²	65	61.3 Å²	61.3	39%	0.394	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	129.4	169.7	179.1	0	0	0	0	108.8	Q28 T30 V43 Y400	Q28-V41 HydrophobicContact CB-CG1 4.48Å; T30-V41 HydrophobicContact CG2-CG2 4.23Å; V41-V43 HydrophobicContact CG1-CG2 4.19Å; V41-V43 PolarHBondContact O-N 3.34Å; V41-Y400 PolarHBondContact O-OH 3.17Å
42	F	98.2	Very high	96.6	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.035	31%	0.308	C	S	.	.			trans	-79.9	119.7	179.5	-179	-102.7	0	0	0	110.7	L29 V31 E40 P44 V50 F81 Y87 I369 Y400	L29-F42 HydrophobicContact CD2-CB 4.21Å; L29-F42 HydrophobicContact CD2-CD1 4.15Å; L29-F42 HydrophobicContact CD2-CG 4.38Å; L29-F42 HydrophobicContact CG-CB 4.1Å; L29-F42 PolarHBondContact O-N 3.45Å; V31-F42 HydrophobicContact CG1-CB 4.2Å; V31-F42 HydrophobicContact CG1-CD2 4.38Å; V31-F42 HydrophobicContact CG2-CB 4.3Å; V31-F42 HydrophobicContact CG2-CD2 4.2Å; E40-F42 PolarHBondContact O-N 3.43Å; F42-P44 HydrophobicContact CE1-CB 4.42Å; F42-P44 HydrophobicContact CZ-CB 4.43Å; F42-V50 HydrophobicContact CE1-CG2 3.91Å; F42-V50 HydrophobicContact CZ-CG1 3.97Å; F42-V50 HydrophobicContact CZ-CG2 3.79Å; F42-F81 AromaticContact CD1-CE1 3.79Å; F42-F81 HydrophobicContact CD1-CE1 3.79Å; F42-F81 HydrophobicContact CD2-CE1 4.04Å; F42-F81 HydrophobicContact CD2-CZ 4.49Å; F42-F81 HydrophobicContact CE1-CD1 4.09Å; F42-F81 AromaticContact CE1-CE1 3.64Å; F42-F81 HydrophobicContact CE1-CE1 3.64Å; F42-F81 AromaticContact CE2-CE1 3.91Å; F42-F81 HydrophobicContact CE2-CE1 3.91Å; F42-F81 AromaticContact CG-CE1 3.99Å; F42-F81 HydrophobicContact CG-CE1 3.99Å; F42-F81 HydrophobicContact CG-CZ 4.46Å; F42-F81 HydrophobicContact CZ-CD1 4.29Å; F42-F81 AromaticContact CZ-CE1 3.7Å; F42-F81 HydrophobicContact CZ-CE1 3.7Å; F42-Y87 HydrophobicContact CD1-CE1 4.23Å; F42-Y87 HydrophobicContact CD1-CE2 4.05Å; F42-Y87 AromaticContact CD1-CZ 3.73Å; F42-Y87 HydrophobicContact CE1-CD1 4.31Å; F42-Y87 HydrophobicContact CE1-CD2 4.49Å; F42-Y87 AromaticContact CE1-CE1 3.93Å; F42-Y87 HydrophobicContact CE1-CE1 3.93Å; F42-Y87 HydrophobicContact CE1-CE2 4.13Å; F42-Y87 AromaticContact CE1-CZ 3.84Å; F42-I369 HydrophobicContact CE2-CD1 3.66Å; F42-I369 HydrophobicContact CE2-CG1 3.85Å; F42-I369 HydrophobicContact CZ-CD1 4Å; F42-I369 HydrophobicContact CZ-CG1 4.43Å; F42-Y400 AromaticContact CD2-CD2 3.81Å; F42-Y400 HydrophobicContact CD2-CD2 3.81Å; F42-Y400 HydrophobicContact CD2-CE1 4.5Å; F42-Y400 AromaticContact CD2-CE2 3.74Å; F42-Y400 HydrophobicContact CD2-CE2 3.74Å; F42-Y400 HydrophobicContact CD2-CG 4.26Å; F42-Y400 AromaticContact CE2-CD2 3.77Å; F42-Y400 HydrophobicContact CE2-CD2 3.77Å; F42-Y400 AromaticContact CE2-CE2 3.92Å; F42-Y400 HydrophobicContact CE2-CE2 3.92Å; F42-Y400 HydrophobicContact CE2-CG 4.48Å
43	V	96.9	Very high	96.6	Very high	87 Å²	87	58 Å²	58	53%	0.527	30%	0.295	S	S	.	.			trans	-133.3	113.3	178.1	-175.7	0	0	0	0	108.6	V41 Y400	V41-V43 HydrophobicContact CG1-CG2 4.19Å; V41-V43 PolarHBondContact O-N 3.34Å; V43-Y400 PolarHBondContact N-OH 3.32Å
44	P	96.8	Very high	96.7	Very high	20 Å²	20	57.8 Å²	57.8	13%	0.13	30%	0.295	C	S	.	.			trans	-73.5	157.2	176	30.6	-35.2	0	0	0	112	F42 E46 G47 R49 V50 Y87 D368	F42-P44 HydrophobicContact CE1-CB 4.42Å; F42-P44 HydrophobicContact CZ-CB 4.43Å; P44-E46 VanDerWaalsContact C-N 3.31Å; P44-E46 PolarHBondContact O-N 2.64Å; P44-G47 WeakPolarHBondContact CG-O 3.45Å; P44-R49 VanDerWaalsContact CB-O 3.27Å; P44-R49 WeakPolarHBondContact CB-O 3.14Å; P44-V50 HydrophobicContact CB-CG2 4.22Å; P44-Y87 HydrophobicContact CG-CE1 4.24Å; P44-D368 WeakPolarHBondContact CA-OD1 2.95Å
45	N	95.1	Very high	96.7	Very high	71 Å²	71	58 Å²	58	38%	0.38	30%	0.296	S	S	.	.	S	Bend	trans	-62.7	-36.3	176.2	-71.9	-46.1	0	0	0	112.2	D368 N399	N45-D368 WeakPolarHBondContact CB-OD1 3.47Å; N45-D368 VanDerWaalsContact CG-OD1 3.23Å; N45-D368 PolarHBondContact N-OD1 3.4Å; N45-D368 PolarHBondContact ND2-OD1 2.87Å; N45-N399 VanDerWaalsContact CG-ND2 3.34Å; N45-N399 PolarHBondContact ND2-ND2 3.41Å; N45-N399 PolarHBondContact OD1-ND2 2.92Å
46	E	94	Very high	96.8	Very high	110 Å²	110	55.8 Å²	55.8	51%	0.514	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-133.5	85.5	-171.1	-68.3	-179.2	-165.5	0	0	113	P44 K48 R49	P44-E46 VanDerWaalsContact C-N 3.31Å; P44-E46 PolarHBondContact O-N 2.64Å; E46-K48 PolarHBondContact O-N 2.81Å; E46-R49 HydrophobicContact CB-CB 4.43Å; E46-R49 WeakPolarHBondContact O-CB 3.37Å; E46-R49 PolarHBondContact O-N 2.8Å
47	G	94.5	Very high	96.8	Very high	69 Å²	69	53.3 Å²	53.3	71%	0.711	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-105.4	170.8	0	0	0	0	0	113.2	P44	P44-G47 WeakPolarHBondContact CG-O 3.45Å
48	K	95.8	Very high	96.8	Very high	132 Å²	132	49 Å²	49	57%	0.574	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-4.5	174.3	-76.4	-171	167	-157.4	0	113.6	E46 D88	E46-K48 PolarHBondContact O-N 2.81Å; K48-D88 PolarHBondContact O-N 3.43Å
49	R	97.7	Very high	96.7	Very high	82 Å²	82	43.1 Å²	43.1	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.8	-179.5	-172.2	-179.8	-179.8	175.8	6.2	109.4	P44 E46 D88 E90	P44-R49 VanDerWaalsContact CB-O 3.27Å; P44-R49 WeakPolarHBondContact CB-O 3.14Å; E46-R49 HydrophobicContact CB-CB 4.43Å; E46-R49 WeakPolarHBondContact O-CB 3.37Å; E46-R49 PolarHBondContact O-N 2.8Å; R49-D88 CarbonylContact C-O 3.59Å; R49-D88 WeakPolarHBondContact CA-O 3.35Å; R49-E90 IonicContact CZ-OE2 3.97Å; R49-E90 IonicContact NE-OE2 3.97Å; R49-E90 PolarHBondContact NE-OE2 2.66Å; R49-E90 IonicContact NH2-OE1 3.11Å; R49-E90 IonicContact NH2-OE2 3.91Å; R49-E90 PolarHBondContact NH2-OE2 3.18Å
50	V	98.3	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.1	178.2	-179.3	0	0	0	0	108.2	F42 P44 Y87 D88 V89 E90 D368 I369	F42-V50 HydrophobicContact CE1-CG2 3.91Å; F42-V50 HydrophobicContact CZ-CG1 3.97Å; F42-V50 HydrophobicContact CZ-CG2 3.79Å; P44-V50 HydrophobicContact CB-CG2 4.22Å; V50-Y87 HydrophobicContact CG2-CD1 3.91Å; V50-Y87 HydrophobicContact CG2-CG 4.01Å; V50-D88 PolarHBondContact N-O 2.56Å; V50-V89 HydrophobicContact CB-CG2 4.35Å; V50-E90 PolarHBondContact O-N 2.89Å; V50-D368 HydrophobicContact CG1-CB 4.09Å; V50-I369 HydrophobicContact CG1-CD1 3.8Å; V50-I369 HydrophobicContact CG1-CG1 4.25Å
51	R	98.2	Very high	96.4	Very high	51 Å²	51	39.3 Å²	39.3	19%	0.192	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.1	168.6	-70.8	-173.6	178.3	140.7	13.5	109.4	E90 C363 L367 D368 I369	R51-E90 IonicContact NE-OE2 3.76Å; R51-C363 PolarHBondContact NH1-O 3.35Å; R51-L367 HydrophobicContact CB-CD1 3.89Å; R51-L367 VanDerWaalsContact O-CD1 3.25Å; R51-L367 WeakPolarHBondContact O-CD1 3.26Å; R51-D368 PolarHBondContact N-OD2 2.91Å; R51-D368 WeakPolarHBondContact O-CB 3.22Å; R51-D368 PolarHBondContact O-N 2.91Å; R51-I369 PolarHBondContact O-N 3.36Å; R51-I369 VanDerWaalsContact O-N 3.13Å
52	W	98.5	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109.8	-176.1	-169.4	-30.8	0	0	0	109.7	I54 L74 L77 R78 F81 V89 E90 F91 I92 I369 A371 L402	W52-I54 VanDerWaalsContact CD1-CG2 3.43Å; W52-I54 VanDerWaalsContact NE1-CG2 3.28Å; W52-L74 HydrophobicContact CZ2-CD2 4.1Å; W52-L77 HydrophobicContact CH2-CB 3.74Å; W52-L77 HydrophobicContact CH2-CD1 4.44Å; W52-L77 HydrophobicContact CZ2-CB 4.47Å; W52-R78 HydrophobicContact CE3-CB 4.5Å; W52-R78 HydrophobicContact CZ3-CB 4.41Å; W52-F81 HydrophobicContact CZ3-CD1 4.38Å; W52-F81 HydrophobicContact CZ3-CD2 4.33Å; W52-F81 HydrophobicContact CZ3-CE2 4.49Å; W52-F81 HydrophobicContact CZ3-CG 4.26Å; W52-V89 HydrophobicContact CB-CG1 4.43Å; W52-V89 HydrophobicContact CE3-CG1 4.37Å; W52-E90 PolarHBondContact N-O 2.86Å; W52-F91 HydrophobicContact CB-CD2 3.93Å; W52-F91 HydrophobicContact CB-CE2 4.41Å; W52-F91 AromaticContact CD1-CE2 3.75Å; W52-F91 AromaticContact CD2-CD2 3.95Å; W52-F91 HydrophobicContact CD2-CD2 3.95Å; W52-F91 AromaticContact CD2-CE2 3.68Å; W52-F91 HydrophobicContact CD2-CE2 3.68Å; W52-F91 AromaticContact CE2-CE2 3.77Å; W52-F91 HydrophobicContact CE3-CD2 4.39Å; W52-F91 HydrophobicContact CE3-CE2 4.29Å; W52-F91 AromaticContact CG-CD2 3.72Å; W52-F91 HydrophobicContact CG-CD2 3.72Å; W52-F91 AromaticContact CG-CE2 3.7Å; W52-F91 HydrophobicContact CG-CE2 3.7Å; W52-F91 HydrophobicContact CZ2-CE2 4.47Å; W52-F91 AromaticContact NE1-CE2 3.78Å; W52-I92 WeakPolarHBondContact O-CD1 3.46Å; W52-I92 PolarHBondContact O-N 3.03Å; W52-I369 WeakPolarHBondContact CA-O 3.11Å; W52-I369 HydrophobicContact CB-CB 4.25Å; W52-I369 HydrophobicContact CD2-CB 3.9Å; W52-I369 HydrophobicContact CD2-CD1 3.89Å; W52-I369 HydrophobicContact CD2-CG2 3.6Å; W52-I369 HydrophobicContact CE3-CB 4.38Å; W52-I369 HydrophobicContact CE3-CD1 3.47Å; W52-I369 VanDerWaalsContact CE3-CD1 3.47Å; W52-I369 HydrophobicContact CE3-CG2 4.27Å; W52-I369 HydrophobicContact CG-CB 3.84Å; W52-I369 HydrophobicContact CG-CG2 3.8Å; W52-I369 HydrophobicContact CH2-CD1 4.17Å; W52-I369 HydrophobicContact CH2-CG2 4.42Å; W52-I369 HydrophobicContact CZ2-CG2 3.83Å; W52-I369 HydrophobicContact CZ3-CD1 3.62Å; W52-A371 HydrophobicContact CZ2-CB 4.28Å; W52-A371 VanDerWaalsContact NE1-CB 3.34Å; W52-L402 HydrophobicContact CH2-CD2 3.55Å; W52-L402 HydrophobicContact CZ2-CD2 3.55Å
53	Y	98.7	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.5	172.6	-175.3	-84	0	0	0	110.8	I92 N94 C355 I369 H370 A371	Y53-I92 CarbonylContact C-O 3.55Å; Y53-I92 WeakPolarHBondContact CA-O 3.38Å; Y53-I92 HydrophobicContact CD2-CB 4Å; Y53-I92 HydrophobicContact CD2-CG2 3.65Å; Y53-I92 HydrophobicContact CE2-CG2 4.02Å; Y53-N94 VanDerWaalsContact OH-CB 3.28Å; Y53-N94 WeakPolarHBondContact OH-CB 3.45Å; Y53-N94 PolarHBondContact OH-OD1 3.35Å; Y53-C355 HydrophobicContact CE1-CB 4.17Å; Y53-C355 WeakPolarHBondContact OH-CA 3.43Å; Y53-I369 PolarHBondContact N-O 3.21Å; Y53-H370 AromaticContact CD1-CE1 3.33Å; Y53-H370 WeakPolarHBondContact CD1-CE1 3.08Å; Y53-H370 AromaticContact CD1-ND1 3.39Å; Y53-H370 WeakPolarHBondContact CD1-ND1 3.31Å; Y53-H370 AromaticContact CE1-CE1 3.72Å; Y53-H370 WeakPolarHBondContact O-CA 3.48Å; Y53-A371 PolarHBondContact O-N 3.41Å
54	I	98.1	Very high	95.7	Very high	3 Å²	3	34 Å²	34	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.4	172.5	71.2	162.2	0	0	0	111.3	W52 G56 Y71 L74 F91 I92 M93 A371	W52-I54 VanDerWaalsContact CD1-CG2 3.43Å; W52-I54 VanDerWaalsContact NE1-CG2 3.28Å; I54-G56 PolarHBondContact O-N 3.16Å; I54-Y71 HydrophobicContact CD1-CD1 4.01Å; I54-Y71 HydrophobicContact CD1-CE1 4.04Å; I54-L74 HydrophobicContact CB-CD1 4.29Å; I54-L74 HydrophobicContact CD1-CD1 4.13Å; I54-L74 HydrophobicContact CG2-CD1 4.09Å; I54-F91 HydrophobicContact CB-CZ 4.49Å; I54-F91 HydrophobicContact CD1-CE1 3.51Å; I54-F91 HydrophobicContact CD1-CZ 3.73Å; I54-F91 HydrophobicContact CG1-CE1 3.9Å; I54-F91 HydrophobicContact CG1-CZ 4.12Å; I54-F91 HydrophobicContact CG2-CE1 4.16Å; I54-F91 HydrophobicContact CG2-CE2 3.98Å; I54-F91 HydrophobicContact CG2-CZ 3.56Å; I54-I92 PolarHBondContact N-O 3.15Å; I54-M93 HydrophobicContact CD1-CB 4.21Å; I54-M93 HydrophobicContact CD1-CG 4.08Å; I54-M93 HydrophobicContact CD1-SD 3.94Å; I54-M93 HydrophobicContact CG1-CB 3.68Å; I54-M93 HydrophobicContact CG1-CG 3.8Å; I54-M93 HydrophobicContact CG1-SD 4.34Å; I54-M93 WeakPolarHBondContact O-CA 3.32Å; I54-A371 VanDerWaalsContact CA-O 3.26Å; I54-A371 WeakPolarHBondContact CA-O 3.38Å; I54-A371 HydrophobicContact CG2-CB 3.92Å
55	C	97.1	Very high	95.5	Very high	7 Å²	7	33 Å²	33	5%	0.047	18%	0.176	C	C	.	.			trans	-72.5	122.9	171.7	-62.7	0	0	0	0	109.6	N94 A371 L376 H381	C55-N94 WeakPolarHBondContact CA-OD1 3.41Å; C55-A371 PolarHBondContact N-O 3.14Å; C55-L376 HydrophobicContact CB-CD1 3.55Å; C55-H381 PolarHBondContact SG-NE2 3.33Å; C55-H381 VanDerWaalsContact SG-NE2 3.37Å
56	G	95.4	Very high	95.3	Very high	12 Å²	12	30.3 Å²	30.3	12%	0.124	17%	0.165	C	C	.	.			trans	-90.5	-170.3	178.7	0	0	0	0	0	114	I54 Y71 N94	I54-G56 PolarHBondContact O-N 3.16Å; G56-Y71 VanDerWaalsContact CA-OH 3.26Å; G56-Y71 WeakPolarHBondContact CA-OH 3.34Å; G56-N94 WeakPolarHBondContact CA-O 3.44Å; G56-N94 PolarHBondContact N-OD1 3.24Å
57	P	95.6	Very high	95.2	Very high	7 Å²	7	26.8 Å²	26.8	5%	0.045	15%	0.149	C	C	.	.			trans	-82.8	151.2	-171.6	34.1	-36.2	0	0	0	112.5	V59 Y71 I95 T96 F224	P57-V59 HydrophobicContact CG-CG1 4.14Å; P57-Y71 VanDerWaalsContact CD-OH 3.27Å; P57-Y71 WeakPolarHBondContact CD-OH 3.34Å; P57-I95 HydrophobicContact CG-CD1 3.98Å; P57-T96 PolarHBondContact O-N 3.46Å; P57-T96 VanDerWaalsContact O-N 3.11Å; P57-F224 HydrophobicContact CB-CD2 4.38Å; P57-F224 HydrophobicContact CB-CE2 4.37Å; P57-F224 HydrophobicContact CG-CD1 3.64Å; P57-F224 HydrophobicContact CG-CD2 3.87Å; P57-F224 HydrophobicContact CG-CE1 3.62Å; P57-F224 HydrophobicContact CG-CE2 3.85Å; P57-F224 HydrophobicContact CG-CG 3.76Å; P57-F224 HydrophobicContact CG-CZ 3.73Å
58	T	94.8	Very high	95.2	Very high	19 Å²	19	23.5 Å²	23.5	12%	0.117	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-79.1	113.6	157.8	-42.8	0	0	0	0	109.8	Y60 T96 D99 I102	T58-Y60 VanDerWaalsContact C-N 3.27Å; T58-Y60 HydrophobicContact CG2-CD1 3.91Å; T58-Y60 WeakPolarHBondContact O-CD1 3.28Å; T58-Y60 PolarHBondContact O-N 3.23Å; T58-T96 HydrophobicContact CG2-CG2 4.02Å; T58-D99 HydrophobicContact CG2-CB 3.92Å; T58-I102 HydrophobicContact CG2-CD1 3.91Å; T58-I102 HydrophobicContact CG2-CG1 3.98Å
59	V	95.6	Very high	95.2	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	58.4	-170.5	-69.5	0	0	0	0	112.9	P57 I95 T96 D97 I102 A217 E221	P57-V59 HydrophobicContact CG-CG1 4.14Å; V59-I95 HydrophobicContact CB-CG2 4.39Å; V59-I95 HydrophobicContact CG1-CG2 3.68Å; V59-I95 HydrophobicContact CG2-CG2 3.76Å; V59-T96 WeakPolarHBondContact CG2-O 3.36Å; V59-T96 PolarHBondContact N-O 3.49Å; V59-D97 HydrophobicContact CG2-CB 4.15Å; V59-I102 HydrophobicContact CG2-CD1 4.14Å; V59-A217 HydrophobicContact CG2-CB 3.75Å; V59-A217 WeakPolarHBondContact CG2-O 3.32Å; V59-E221 HydrophobicContact CB-CB 4.46Å; V59-E221 HydrophobicContact CG1-CB 4Å
60	Y	93.4	Very high	95	Very high	45 Å²	45	14.5 Å²	14.5	18%	0.176	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-15.7	177.9	77.5	-85.2	0	0	0	114.3	T58 K101 R105 Y220 K416	T58-Y60 VanDerWaalsContact C-N 3.27Å; T58-Y60 HydrophobicContact CG2-CD1 3.91Å; T58-Y60 WeakPolarHBondContact O-CD1 3.28Å; T58-Y60 PolarHBondContact O-N 3.23Å; Y60-K101 HydrophobicContact CD1-CB 3.99Å; Y60-K101 HydrophobicContact CD1-CD 4.28Å; Y60-K101 HydrophobicContact CD2-CB 4.23Å; Y60-K101 HydrophobicContact CE1-CB 4.3Å; Y60-K101 HydrophobicContact CE1-CD 3.82Å; Y60-K101 HydrophobicContact CG-CB 3.94Å; Y60-R105 WeakPolarHBondContact O-CG 3.44Å; Y60-Y220 VanDerWaalsContact C-CD2 3.49Å; Y60-Y220 VanDerWaalsContact O-CE2 3.25Å; Y60-Y220 WeakPolarHBondContact O-CE2 3.45Å; Y60-K416 HydrophobicContact CE1-CD 3.95Å; Y60-K416 HydrophobicContact CE2-CD 4.07Å; Y60-K416 VanDerWaalsContact CZ-CD 3.45Å; Y60-K416 WeakPolarHBondContact OH-CB 3.32Å; Y60-K416 WeakPolarHBondContact OH-CD 3.08Å
61	D	93.3	Very high	95	Very high	36 Å²	36	15.4 Å²	15.4	19%	0.193	8%	0.084	C	C	.	.	S	Bend	trans	-161.3	165.2	-177.6	-169.3	22.9	0	0	0	110.9	Y220 K416	D61-Y220 VanDerWaalsContact C-CE1 3.49Å; D61-K416 VanDerWaalsContact C-NZ 3.33Å; D61-K416 HydrophobicContact CB-CD 4.15Å; D61-K416 PolarHBondContact O-NZ 2.93Å
62	S	93	Very high	94.9	Very high	25 Å²	25	13 Å²	13	18%	0.175	8%	0.075	C	C	.	.			trans	-52.9	147.5	-177.1	-66.9	0	0	0	0	113.6	Y220 E223 K416	S62-Y220 VanDerWaalsContact N-CE1 3.3Å; S62-E223 WeakPolarHBondContact CB-OE1 3.3Å; S62-E223 PolarHBondContact OG-OE1 3.29Å; S62-K416 WeakPolarHBondContact O-CE 3.44Å; S62-K416 PolarHBondContact O-NZ 3.04Å
63	S	94.1	Very high	94.8	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.035	8%	0.076	C	C	.	.			trans	-74.8	150.3	176.5	-69.4	0	0	0	0	111.9	F224 T423 I424	S63-F224 WeakPolarHBondContact OG-CD2 3.48Å; S63-T423 VanDerWaalsContact O-CA 3.29Å; S63-T423 WeakPolarHBondContact O-CA 3.48Å; S63-T423 WeakPolarHBondContact O-CB 3.25Å; S63-I424 PolarHBondContact O-N 3.25Å; S63-I424 VanDerWaalsContact O-N 3.09Å
64	H	92.2	Very high	94.8	Very high	18 Å²	18	13.2 Å²	13.2	8%	0.083	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-132	170.4	-173.5	62.4	56.6	0	0	0	112.6	G66 H67 A68 M414 F421 I422	H64-G66 WeakPolarHBondContact ND1-CA 3.38Å; H64-G66 PolarHBondContact ND1-N 3.48Å; H64-G66 VanDerWaalsContact ND1-N 3.11Å; H64-G66 PolarHBondContact O-N 3.4Å; H64-G66 VanDerWaalsContact O-N 3.11Å; H64-H67 AromaticContact CD2-CE1 3.5Å; H64-H67 AromaticContact CD2-ND1 3.45Å; H64-H67 PolarHBondContact CD2-ND1 3.46Å; H64-H67 AromaticContact CE1-CE1 3.45Å; H64-H67 PolarHBondContact CE1-CE1 3.39Å; H64-H67 VanDerWaalsContact CE1-CE1 3.45Å; H64-H67 AromaticContact CE1-ND1 3.25Å; H64-H67 PolarHBondContact CE1-ND1 3Å; H64-H67 VanDerWaalsContact CE1-ND1 3.25Å; H64-H67 AromaticContact CG-CE1 3.93Å; H64-H67 AromaticContact CG-ND1 3.38Å; H64-H67 PolarHBondContact N-ND1 2.91Å; H64-H67 AromaticContact ND1-CE1 3.9Å; H64-H67 PolarHBondContact ND1-N 3.24Å; H64-H67 AromaticContact ND1-ND1 3.26Å; H64-H67 PolarHBondContact ND1-ND1 2.97Å; H64-H67 AromaticContact NE2-CE1 3.18Å; H64-H67 PolarHBondContact NE2-CE1 2.91Å; H64-H67 AromaticContact NE2-ND1 3.37Å; H64-H67 PolarHBondContact NE2-ND1 3.09Å; H64-H67 WeakPolarHBondContact O-CA 3.01Å; H64-H67 VanDerWaalsContact O-CB 3.3Å; H64-H67 WeakPolarHBondContact O-CB 3.48Å; H64-H67 PolarHBondContact O-N 3.31Å; H64-A68 PolarHBondContact O-N 3.49Å; H64-A68 VanDerWaalsContact O-N 3.07Å; H64-M414 HydrophobicContact CB-SD 4.31Å; H64-F421 HydrophobicContact CB-CB 4Å; H64-F421 HydrophobicContact CB-CD2 3.66Å; H64-F421 HydrophobicContact CB-CG 4.2Å; H64-I422 CarbonylContact C-O 3.59Å; H64-I422 VanDerWaalsContact CA-O 3.32Å; H64-I422 WeakPolarHBondContact CA-O 3.4Å; H64-I422 VanDerWaalsContact CB-O 3.31Å; H64-I422 WeakPolarHBondContact CB-O 3.34Å
65	M	92.2	Very high	94.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-56.7	-30.4	-176.4	-76.4	-60.6	-65.5	0	0	114.3	A68 R69 L407 M414 I422 A427 L436 F440 Y451	M65-A68 WeakPolarHBondContact O-CB 3.37Å; M65-A68 PolarHBondContact O-N 2.95Å; M65-A68 HydrophobicContact SD-CB 4.26Å; M65-R69 PolarHBondContact O-N 3.2Å; M65-L407 HydrophobicContact CB-CD2 3.57Å; M65-M414 HydrophobicContact CB-CE 3.87Å; M65-M414 HydrophobicContact CB-SD 3.81Å; M65-I422 HydrophobicContact CG-CB 4.32Å; M65-I422 HydrophobicContact CG-CG2 4.48Å; M65-I422 PolarHBondContact N-O 3.07Å; M65-A427 HydrophobicContact CG-CB 3.85Å; M65-A427 HydrophobicContact SD-CB 3.48Å; M65-A427 WeakPolarHBondContact SD-CB 3.49Å; M65-L436 HydrophobicContact CE-CD1 4.14Å; M65-L436 HydrophobicContact CE-CD2 3.79Å; M65-L436 HydrophobicContact CE-CG 4.45Å; M65-L436 HydrophobicContact SD-CD1 3.98Å; M65-F440 HydrophobicContact CE-CZ 3.99Å; M65-Y451 HydrophobicContact CE-CE2 4.19Å
66	G	91.1	Very high	94.9	Very high	14 Å²	14	13.1 Å²	13.1	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	-58.6	-43.1	168	0	0	0	0	0	114.3	H64 R69 S70	H64-G66 WeakPolarHBondContact ND1-CA 3.38Å; H64-G66 PolarHBondContact ND1-N 3.48Å; H64-G66 VanDerWaalsContact ND1-N 3.11Å; H64-G66 PolarHBondContact O-N 3.4Å; H64-G66 VanDerWaalsContact O-N 3.11Å; G66-R69 PolarHBondContact O-N 3.32Å; G66-S70 PolarHBondContact O-N 3.49Å
67	H	92.8	Very high	95	Very high	36 Å²	36	12.7 Å²	12.7	17%	0.167	7%	0.071	C	C	.	.	H	α-helix	trans	-64.7	-44.4	172.6	-62.7	103.2	0	0	0	110.6	H64 R69 S70 Y71	H64-H67 AromaticContact CD2-CE1 3.5Å; H64-H67 AromaticContact CD2-ND1 3.45Å; H64-H67 PolarHBondContact CD2-ND1 3.46Å; H64-H67 AromaticContact CE1-CE1 3.45Å; H64-H67 PolarHBondContact CE1-CE1 3.39Å; H64-H67 VanDerWaalsContact CE1-CE1 3.45Å; H64-H67 AromaticContact CE1-ND1 3.25Å; H64-H67 PolarHBondContact CE1-ND1 3Å; H64-H67 VanDerWaalsContact CE1-ND1 3.25Å; H64-H67 AromaticContact CG-CE1 3.93Å; H64-H67 AromaticContact CG-ND1 3.38Å; H64-H67 PolarHBondContact N-ND1 2.91Å; H64-H67 AromaticContact ND1-CE1 3.9Å; H64-H67 PolarHBondContact ND1-N 3.24Å; H64-H67 AromaticContact ND1-ND1 3.26Å; H64-H67 PolarHBondContact ND1-ND1 2.97Å; H64-H67 AromaticContact NE2-CE1 3.18Å; H64-H67 PolarHBondContact NE2-CE1 2.91Å; H64-H67 AromaticContact NE2-ND1 3.37Å; H64-H67 PolarHBondContact NE2-ND1 3.09Å; H64-H67 WeakPolarHBondContact O-CA 3.01Å; H64-H67 VanDerWaalsContact O-CB 3.3Å; H64-H67 WeakPolarHBondContact O-CB 3.48Å; H64-H67 PolarHBondContact O-N 3.31Å; H67-R69 VanDerWaalsContact C-N 3.27Å; H67-R69 PolarHBondContact O-N 3.37Å; H67-S70 PolarHBondContact O-N 3.32Å; H67-Y71 HydrophobicContact CB-CD2 4.02Å; H67-Y71 HydrophobicContact CB-CE2 3.94Å; H67-Y71 WeakPolarHBondContact O-CD2 3.48Å; H67-Y71 PolarHBondContact O-N 3.45Å
68	A	94.4	Very high	95.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-55.4	-43.4	176.8	0	0	0	0	0	111.5	H64 M65 L72 L231 I424 F440	H64-A68 PolarHBondContact O-N 3.49Å; H64-A68 VanDerWaalsContact O-N 3.07Å; M65-A68 WeakPolarHBondContact O-CB 3.37Å; M65-A68 PolarHBondContact O-N 2.95Å; M65-A68 HydrophobicContact SD-CB 4.26Å; A68-L72 HydrophobicContact CB-CD1 4.28Å; A68-L72 WeakPolarHBondContact O-CB 3.36Å; A68-L72 WeakPolarHBondContact O-CD1 3.39Å; A68-L72 VanDerWaalsContact O-CG 3.31Å; A68-L72 WeakPolarHBondContact O-CG 3.29Å; A68-L72 PolarHBondContact O-N 2.97Å; A68-L231 HydrophobicContact CB-CD1 3.75Å; A68-I424 HydrophobicContact CB-CD1 4.04Å; A68-I424 HydrophobicContact CB-CG1 4.06Å; A68-F440 HydrophobicContact CB-CE2 4.38Å
69	R	94.3	Very high	95.3	Very high	1 Å²	1	12.1 Å²	12.1	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-56.9	-51	176.4	172.1	57.7	174.5	-179.8	-5.2	112	M65 G66 H67 S73 L407 F440 N444 D447	M65-R69 PolarHBondContact O-N 3.2Å; G66-R69 PolarHBondContact O-N 3.32Å; H67-R69 VanDerWaalsContact C-N 3.27Å; H67-R69 PolarHBondContact O-N 3.37Å; R69-S73 VanDerWaalsContact O-CB 3.27Å; R69-S73 WeakPolarHBondContact O-CB 3.34Å; R69-S73 PolarHBondContact O-N 2.93Å; R69-S73 VanDerWaalsContact O-N 3.15Å; R69-S73 PolarHBondContact O-OG 2.94Å; R69-L407 HydrophobicContact CB-CB 4.34Å; R69-L407 HydrophobicContact CB-CD1 4.47Å; R69-F440 HydrophobicContact CB-CE1 4.25Å; R69-F440 HydrophobicContact CB-CE2 4.24Å; R69-F440 HydrophobicContact CB-CZ 3.9Å; R69-N444 PolarHBondContact NH2-O 3.21Å; R69-D447 PolarHBondContact NH2-O 3.08Å
70	S	94.8	Very high	95.4	Very high	23 Å²	23	12 Å²	12	16%	0.161	7%	0.065	C	C	.	.	H	α-helix	trans	-64.9	-56.4	-179.3	-58.7	0	0	0	0	111.6	G66 H67 L72 S73 L74	G66-S70 PolarHBondContact O-N 3.49Å; H67-S70 PolarHBondContact O-N 3.32Å; S70-L72 PolarHBondContact O-N 3.29Å; S70-S73 PolarHBondContact O-N 3.4Å; S70-L74 WeakPolarHBondContact O-CG 3.44Å; S70-L74 PolarHBondContact O-N 2.9Å
71	Y	96.9	Very high	95.7	Very high	19 Å²	19	10 Å²	10	8%	0.075	6%	0.057	C	C	.	.	H	α-helix	trans	-68.5	-33.5	-173.8	-63.9	-66.2	0	0	0	113.2	I54 G56 P57 H67 D75 M93 F224 M228	I54-Y71 HydrophobicContact CD1-CD1 4.01Å; I54-Y71 HydrophobicContact CD1-CE1 4.04Å; G56-Y71 VanDerWaalsContact CA-OH 3.26Å; G56-Y71 WeakPolarHBondContact CA-OH 3.34Å; P57-Y71 VanDerWaalsContact CD-OH 3.27Å; P57-Y71 WeakPolarHBondContact CD-OH 3.34Å; H67-Y71 HydrophobicContact CB-CD2 4.02Å; H67-Y71 HydrophobicContact CB-CE2 3.94Å; H67-Y71 WeakPolarHBondContact O-CD2 3.48Å; H67-Y71 PolarHBondContact O-N 3.45Å; Y71-D75 WeakPolarHBondContact O-CB 3.16Å; Y71-D75 PolarHBondContact O-N 2.95Å; Y71-M93 HydrophobicContact CD1-SD 4.46Å; Y71-M93 HydrophobicContact CE1-SD 3.98Å; Y71-F224 HydrophobicContact CD1-CZ 4.41Å; Y71-F224 AromaticContact CD2-CE2 3.75Å; Y71-F224 HydrophobicContact CD2-CE2 3.75Å; Y71-F224 HydrophobicContact CD2-CZ 4.13Å; Y71-F224 HydrophobicContact CE1-CZ 4.12Å; Y71-F224 AromaticContact CE2-CE2 3.49Å; Y71-F224 HydrophobicContact CE2-CE2 3.49Å; Y71-F224 VanDerWaalsContact CE2-CE2 3.49Å; Y71-F224 AromaticContact CE2-CZ 3.84Å; Y71-F224 HydrophobicContact CE2-CZ 3.84Å; Y71-F224 HydrophobicContact CG-CE2 4.44Å; Y71-F224 HydrophobicContact CG-CZ 4.43Å; Y71-F224 AromaticContact CZ-CE2 3.96Å; Y71-F224 AromaticContact CZ-CZ 3.84Å; Y71-M228 VanDerWaalsContact CB-SD 3.6Å; Y71-M228 HydrophobicContact CD2-CE 4.33Å; Y71-M228 HydrophobicContact CD2-SD 3.92Å; Y71-M228 HydrophobicContact CG-SD 3.89Å
72	L	96.7	Very high	95.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.6	-39.5	173	-78.2	165.6	0	0	0	112.2	A68 S70 D75 I76 L231 V233 R437 F440	A68-L72 HydrophobicContact CB-CD1 4.28Å; A68-L72 WeakPolarHBondContact O-CB 3.36Å; A68-L72 WeakPolarHBondContact O-CD1 3.39Å; A68-L72 VanDerWaalsContact O-CG 3.31Å; A68-L72 WeakPolarHBondContact O-CG 3.29Å; A68-L72 PolarHBondContact O-N 2.97Å; S70-L72 PolarHBondContact O-N 3.29Å; L72-D75 PolarHBondContact O-N 3.38Å; L72-I76 WeakPolarHBondContact O-CB 3.28Å; L72-I76 WeakPolarHBondContact O-CD1 3.48Å; L72-I76 VanDerWaalsContact O-CG1 3.23Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 2.96Å; L72-L231 HydrophobicContact CD1-CB 4.45Å; L72-L231 HydrophobicContact CD1-CD1 4.05Å; L72-L231 HydrophobicContact CD1-CD2 4.37Å; L72-L231 HydrophobicContact CD2-CB 4.26Å; L72-L231 HydrophobicContact CG-CD1 4.47Å; L72-V233 HydrophobicContact CD2-CG2 3.76Å; L72-V233 HydrophobicContact CG-CG2 4.15Å; L72-R437 HydrophobicContact CD2-CG 4.48Å; L72-R437 VanDerWaalsContact CD2-NE 3.28Å; L72-F440 HydrophobicContact CB-CD2 3.77Å; L72-F440 HydrophobicContact CB-CE2 4.23Å; L72-F440 HydrophobicContact CD1-CD2 3.66Å; L72-F440 HydrophobicContact CD1-CE2 3.54Å; L72-F440 HydrophobicContact CG-CD2 4.33Å; L72-F440 HydrophobicContact CG-CE2 4.47Å
73	S	97.3	Very high	96.1	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.028	7%	0.072	C	C	.	.	H	α-helix	trans	-65	-46.2	178.1	-57.8	0	0	0	0	110.5	R69 S70 D75 I76 L77	R69-S73 VanDerWaalsContact O-CB 3.27Å; R69-S73 WeakPolarHBondContact O-CB 3.34Å; R69-S73 PolarHBondContact O-N 2.93Å; R69-S73 VanDerWaalsContact O-N 3.15Å; R69-S73 PolarHBondContact O-OG 2.94Å; S70-S73 PolarHBondContact O-N 3.4Å; S73-D75 VanDerWaalsContact C-N 3.33Å; S73-D75 PolarHBondContact O-N 2.73Å; S73-I76 PolarHBondContact O-N 2.99Å; S73-L77 VanDerWaalsContact O-CG 3.29Å; S73-L77 WeakPolarHBondContact O-CG 3.35Å; S73-L77 PolarHBondContact O-N 3.34Å
74	L	97.8	Very high	96.3	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-63.9	-37.2	175.7	-62.8	173	0	0	0	112.2	W52 I54 S70 L77 R78 F91 A371	W52-L74 HydrophobicContact CZ2-CD2 4.1Å; I54-L74 HydrophobicContact CB-CD1 4.29Å; I54-L74 HydrophobicContact CD1-CD1 4.13Å; I54-L74 HydrophobicContact CG2-CD1 4.09Å; S70-L74 WeakPolarHBondContact O-CG 3.44Å; S70-L74 PolarHBondContact O-N 2.9Å; L74-L77 HydrophobicContact CD2-CD1 4.42Å; L74-L77 PolarHBondContact O-N 2.93Å; L74-R78 WeakPolarHBondContact O-CG 3.38Å; L74-R78 PolarHBondContact O-N 3.49Å; L74-F91 HydrophobicContact CB-CZ 4.31Å; L74-A371 HydrophobicContact CD1-CB 4.38Å; L74-A371 HydrophobicContact CD2-CB 3.59Å
75	D	98.3	Very high	96.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-61.4	-45.1	173	-175.9	58.5	0	0	0	112.1	Y71 L72 S73 R78 R79 V233 L234 R437	Y71-D75 WeakPolarHBondContact O-CB 3.16Å; Y71-D75 PolarHBondContact O-N 2.95Å; L72-D75 PolarHBondContact O-N 3.38Å; S73-D75 VanDerWaalsContact C-N 3.33Å; S73-D75 PolarHBondContact O-N 2.73Å; D75-R78 WeakPolarHBondContact O-CG 3.34Å; D75-R78 IonicContact OD1-CZ 3.76Å; D75-R78 VanDerWaalsContact OD1-CZ 3.27Å; D75-R78 IonicContact OD1-NE 3.51Å; D75-R78 PolarHBondContact OD1-NE 3.42Å; D75-R78 IonicContact OD1-NH2 3.03Å; D75-R78 PolarHBondContact OD1-NH2 3.39Å; D75-R79 VanDerWaalsContact CG-NE 3.28Å; D75-R79 WeakPolarHBondContact O-CB 3.3Å; D75-R79 VanDerWaalsContact O-CD 3.28Å; D75-R79 WeakPolarHBondContact O-CD 3.3Å; D75-R79 WeakPolarHBondContact O-CG 3.46Å; D75-R79 PolarHBondContact O-N 2.97Å; D75-R79 IonicContact OD1-NE 3.48Å; D75-R79 PolarHBondContact OD1-NE 3.35Å; D75-R79 IonicContact OD2-CZ 3.75Å; D75-R79 IonicContact OD2-NE 3.28Å; D75-R79 PolarHBondContact OD2-NE 3Å; D75-R79 IonicContact OD2-NH2 3.13Å; D75-V233 HydrophobicContact CB-CG1 4.11Å; D75-V233 HydrophobicContact CB-CG2 4.31Å; D75-L234 PolarHBondContact OD1-N 3.42Å; D75-R437 IonicContact OD2-CZ 3.81Å; D75-R437 IonicContact OD2-NH1 2.87Å; D75-R437 IonicContact OD2-NH2 3.33Å; D75-R437 PolarHBondContact OD2-NH2 3.41Å
76	I	98.1	Very high	96.8	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-47.4	176.2	-71.3	159	0	0	0	110.1	L72 S73 R79 V80 R437 L441 T520 F567	L72-I76 WeakPolarHBondContact O-CB 3.28Å; L72-I76 WeakPolarHBondContact O-CD1 3.48Å; L72-I76 VanDerWaalsContact O-CG1 3.23Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 2.96Å; S73-I76 PolarHBondContact O-N 2.99Å; I76-R79 PolarHBondContact O-N 3.28Å; I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 3.47Å; I76-R437 HydrophobicContact CD1-CG 4.4Å; I76-L441 HydrophobicContact CD1-CD2 3.7Å; I76-L441 HydrophobicContact CD1-CG 3.95Å; I76-L441 HydrophobicContact CG1-CD2 4.13Å; I76-L441 HydrophobicContact CG2-CD2 3.8Å; I76-T520 HydrophobicContact CG2-CG2 3.95Å; I76-F567 HydrophobicContact CG2-CD1 4.27Å
77	L	98.4	Very high	97.1	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-51.1	-179.9	-66.7	174.9	0	0	0	111.4	W52 S73 L74 R79 V80 F81 L402 W445 V518	W52-L77 HydrophobicContact CH2-CB 3.74Å; W52-L77 HydrophobicContact CH2-CD1 4.44Å; W52-L77 HydrophobicContact CZ2-CB 4.47Å; S73-L77 VanDerWaalsContact O-CG 3.29Å; S73-L77 WeakPolarHBondContact O-CG 3.35Å; S73-L77 PolarHBondContact O-N 3.34Å; L74-L77 HydrophobicContact CD2-CD1 4.42Å; L74-L77 PolarHBondContact O-N 2.93Å; L77-R79 VanDerWaalsContact C-N 3.27Å; L77-R79 PolarHBondContact O-N 3.23Å; L77-V80 PolarHBondContact O-N 3.46Å; L77-V80 VanDerWaalsContact O-N 3.12Å; L77-F81 VanDerWaalsContact O-CD2 3.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.07Å; L77-F81 PolarHBondContact O-N 2.91Å; L77-L402 HydrophobicContact CD1-CD2 4.28Å; L77-W445 HydrophobicContact CD1-CD2 3.91Å; L77-W445 HydrophobicContact CD1-CE3 4.12Å; L77-W445 HydrophobicContact CD1-CG 4.19Å; L77-W445 HydrophobicContact CD2-CD2 4.48Å; L77-W445 HydrophobicContact CD2-CG 4.22Å; L77-V518 HydrophobicContact CD2-CB 3.55Å; L77-V518 HydrophobicContact CD2-CG1 3.74Å; L77-V518 HydrophobicContact CD2-CG2 3.85Å
78	R	97.9	Very high	97.3	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.038	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-36.9	179.4	72.7	175.7	174.2	-178.8	-17	112.2	W52 L74 D75 F81 R82 V89 F91 L234 P235	W52-R78 HydrophobicContact CE3-CB 4.5Å; W52-R78 HydrophobicContact CZ3-CB 4.41Å; L74-R78 WeakPolarHBondContact O-CG 3.38Å; L74-R78 PolarHBondContact O-N 3.49Å; D75-R78 WeakPolarHBondContact O-CG 3.34Å; D75-R78 IonicContact OD1-CZ 3.76Å; D75-R78 VanDerWaalsContact OD1-CZ 3.27Å; D75-R78 IonicContact OD1-NE 3.51Å; D75-R78 PolarHBondContact OD1-NE 3.42Å; D75-R78 IonicContact OD1-NH2 3.03Å; D75-R78 PolarHBondContact OD1-NH2 3.39Å; R78-F81 PolarHBondContact O-N 2.92Å; R78-R82 WeakPolarHBondContact O-CB 3.42Å; R78-R82 PolarHBondContact O-N 3.11Å; R78-V89 HydrophobicContact CB-CG1 4.46Å; R78-F91 HydrophobicContact CB-CD2 3.87Å; R78-F91 HydrophobicContact CB-CE2 3.85Å; R78-F91 HydrophobicContact CG-CD2 4.35Å; R78-F91 HydrophobicContact CG-CE2 4.26Å; R78-F91 VanDerWaalsContact NH1-CD1 3.33Å; R78-L234 VanDerWaalsContact NH2-C 3.29Å; R78-L234 VanDerWaalsContact NH2-CA 3.32Å; R78-L234 VanDerWaalsContact NH2-CB 3.28Å; R78-L234 PolarHBondContact NH2-O 3.47Å; R78-P235 PolarHBondContact NH1-O 3.01Å
79	R	98.2	Very high	97.5	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-38.6	177.2	-71.4	163	173.1	-88	12.2	111.3	D75 I76 L77 D83 N232 L234 I566	D75-R79 VanDerWaalsContact CG-NE 3.28Å; D75-R79 WeakPolarHBondContact O-CB 3.3Å; D75-R79 VanDerWaalsContact O-CD 3.28Å; D75-R79 WeakPolarHBondContact O-CD 3.3Å; D75-R79 WeakPolarHBondContact O-CG 3.46Å; D75-R79 PolarHBondContact O-N 2.97Å; D75-R79 IonicContact OD1-NE 3.48Å; D75-R79 PolarHBondContact OD1-NE 3.35Å; D75-R79 IonicContact OD2-CZ 3.75Å; D75-R79 IonicContact OD2-NE 3.28Å; D75-R79 PolarHBondContact OD2-NE 3Å; D75-R79 IonicContact OD2-NH2 3.13Å; I76-R79 PolarHBondContact O-N 3.28Å; L77-R79 VanDerWaalsContact C-N 3.27Å; L77-R79 PolarHBondContact O-N 3.23Å; R79-D83 WeakPolarHBondContact O-CA 3.47Å; R79-D83 VanDerWaalsContact O-CB 3.22Å; R79-D83 WeakPolarHBondContact O-CB 3.49Å; R79-D83 PolarHBondContact O-N 3.15Å; R79-N232 PolarHBondContact NH2-O 3.2Å; R79-L234 HydrophobicContact CG-CD1 4.01Å; R79-L234 VanDerWaalsContact CZ-CG 3.45Å; R79-L234 VanDerWaalsContact NH2-CG 3.26Å; R79-I566 WeakPolarHBondContact CB-O 3.48Å; R79-I566 WeakPolarHBondContact CD-O 3.49Å
80	V	98.4	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-65.4	-44.6	174.1	171.7	0	0	0	0	110.9	I76 L77 R82 Y84 F85 L514 V518 I566 F567	I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 3.47Å; L77-V80 PolarHBondContact O-N 3.46Å; L77-V80 VanDerWaalsContact O-N 3.12Å; V80-R82 PolarHBondContact O-N 3.19Å; V80-Y84 WeakPolarHBondContact O-CA 3.19Å; V80-Y84 WeakPolarHBondContact O-CB 3.38Å; V80-Y84 PolarHBondContact O-N 3.09Å; V80-Y84 VanDerWaalsContact O-N 3.07Å; V80-F85 HydrophobicContact CG1-CD2 3.79Å; V80-F85 HydrophobicContact CG1-CE2 3.58Å; V80-F85 PolarHBondContact O-N 3.26Å; V80-L514 HydrophobicContact CG1-CD2 4.19Å; V80-L514 HydrophobicContact CG2-CD2 4.42Å; V80-V518 HydrophobicContact CB-CG1 3.95Å; V80-V518 HydrophobicContact CG1-CG1 3.81Å; V80-V518 HydrophobicContact CG1-CG2 4.09Å; V80-V518 HydrophobicContact CG2-CG1 3.82Å; V80-I566 HydrophobicContact CG2-CG2 4.18Å; V80-F567 HydrophobicContact CG2-CD1 3.81Å; V80-F567 HydrophobicContact CG2-CE1 3.59Å
81	F	98.5	Very high	97.9	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.134	C	C	.	.	I	π-helix	trans	-58.7	-48.5	176.5	-86.1	-120.9	0	0	0	111.7	L29 V31 F42 W52 L77 R78 F85 G86 Y87 V89 I369 V518	L29-F81 HydrophobicContact CD2-CD1 4.36Å; L29-F81 HydrophobicContact CD2-CD2 4.46Å; L29-F81 HydrophobicContact CD2-CE1 3.9Å; L29-F81 HydrophobicContact CD2-CE2 4.02Å; L29-F81 HydrophobicContact CD2-CZ 3.72Å; V31-F81 HydrophobicContact CG1-CE2 4.41Å; V31-F81 HydrophobicContact CG1-CZ 3.69Å; F42-F81 AromaticContact CD1-CE1 3.79Å; F42-F81 HydrophobicContact CD1-CE1 3.79Å; F42-F81 HydrophobicContact CD2-CE1 4.04Å; F42-F81 HydrophobicContact CD2-CZ 4.49Å; F42-F81 HydrophobicContact CE1-CD1 4.09Å; F42-F81 AromaticContact CE1-CE1 3.64Å; F42-F81 HydrophobicContact CE1-CE1 3.64Å; F42-F81 AromaticContact CE2-CE1 3.91Å; F42-F81 HydrophobicContact CE2-CE1 3.91Å; F42-F81 AromaticContact CG-CE1 3.99Å; F42-F81 HydrophobicContact CG-CE1 3.99Å; F42-F81 HydrophobicContact CG-CZ 4.46Å; F42-F81 HydrophobicContact CZ-CD1 4.29Å; F42-F81 AromaticContact CZ-CE1 3.7Å; F42-F81 HydrophobicContact CZ-CE1 3.7Å; W52-F81 HydrophobicContact CZ3-CD1 4.38Å; W52-F81 HydrophobicContact CZ3-CD2 4.33Å; W52-F81 HydrophobicContact CZ3-CE2 4.49Å; W52-F81 HydrophobicContact CZ3-CG 4.26Å; L77-F81 VanDerWaalsContact O-CD2 3.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.07Å; L77-F81 PolarHBondContact O-N 2.91Å; R78-F81 PolarHBondContact O-N 2.92Å; F81-F85 CarbonylContact O-C 3.52Å; F81-F85 WeakPolarHBondContact O-CB 3.4Å; F81-G86 PolarHBondContact O-N 3.39Å; F81-G86 VanDerWaalsContact O-N 3.12Å; F81-Y87 HydrophobicContact CB-CD2 4.23Å; F81-Y87 AromaticContact CD1-CD2 3.9Å; F81-Y87 HydrophobicContact CD1-CD2 3.9Å; F81-Y87 HydrophobicContact CD1-CE2 4.33Å; F81-Y87 HydrophobicContact CG-CD2 4.33Å; F81-Y87 WeakPolarHBondContact O-CD2 3.13Å; F81-Y87 PolarHBondContact O-N 2.94Å; F81-V89 HydrophobicContact CB-CG2 3.9Å; F81-I369 HydrophobicContact CD1-CD1 4.49Å; F81-I369 HydrophobicContact CE1-CD1 3.92Å; F81-I369 HydrophobicContact CZ-CD1 4.4Å; F81-V518 HydrophobicContact CE2-CG2 4Å
82	R	97.9	Very high	97.9	Very high	92 Å²	92	26.2 Å²	26.2	35%	0.347	13%	0.131	S	C	.	.	I	π-helix	trans	-74.6	-55.1	-177	-170.4	-172.7	67	-157.8	-7.1	112.9	R78 V80 G86 Y87 V89	R78-R82 WeakPolarHBondContact O-CB 3.42Å; R78-R82 PolarHBondContact O-N 3.11Å; V80-R82 PolarHBondContact O-N 3.19Å; R82-G86 WeakPolarHBondContact O-CA 3.5Å; R82-G86 PolarHBondContact O-N 3.39Å; R82-Y87 WeakPolarHBondContact CA-O 3.33Å; R82-V89 HydrophobicContact CB-CG2 4.12Å
83	D	97.3	Very high	98	Very high	63 Å²	63	26.6 Å²	26.6	34%	0.337	13%	0.133	S	C	.	.	I	π-helix	trans	-91.3	-22	-165.7	-54.7	-32	0	0	0	113	R79 I566	R79-D83 WeakPolarHBondContact O-CA 3.47Å; R79-D83 VanDerWaalsContact O-CB 3.22Å; R79-D83 WeakPolarHBondContact O-CB 3.49Å; R79-D83 PolarHBondContact O-N 3.15Å; D83-I566 HydrophobicContact CB-CD1 4.48Å; D83-I566 HydrophobicContact CB-CG1 3.96Å; D83-I566 HydrophobicContact CB-CG2 4.22Å
84	Y	97.8	Very high	98	Very high	65 Å²	65	26.5 Å²	26.5	26%	0.255	13%	0.131	S	C	.	.	I	π-helix	trans	-100.8	-50.1	176.5	-173.1	-94.3	0	0	0	112.7	V80 H511 L514 L563 I566	V80-Y84 WeakPolarHBondContact O-CA 3.19Å; V80-Y84 WeakPolarHBondContact O-CB 3.38Å; V80-Y84 PolarHBondContact O-N 3.09Å; V80-Y84 VanDerWaalsContact O-N 3.07Å; Y84-H511 AromaticContact CE1-ND1 3.52Å; Y84-H511 AromaticContact CZ-ND1 3.6Å; Y84-H511 WeakPolarHBondContact OH-CA 3.44Å; Y84-H511 WeakPolarHBondContact OH-CB 3.45Å; Y84-H511 PolarHBondContact OH-ND1 3.11Å; Y84-L514 HydrophobicContact CD1-CD1 3.93Å; Y84-L514 HydrophobicContact CD2-CD1 3.91Å; Y84-L514 HydrophobicContact CE1-CB 4.1Å; Y84-L514 HydrophobicContact CE1-CD1 3.64Å; Y84-L514 HydrophobicContact CE2-CD1 3.62Å; Y84-L514 HydrophobicContact CG-CD1 4.05Å; Y84-L514 VanDerWaalsContact CZ-CD1 3.47Å; Y84-L563 HydrophobicContact CD2-CD2 3.85Å; Y84-L563 HydrophobicContact CE2-CD2 3.95Å; Y84-I566 HydrophobicContact CD2-CD1 4.27Å
85	F	97.6	Very high	98	Very high	42 Å²	42	26.4 Å²	26.4	18%	0.184	13%	0.131	C	C	.	.	S	Bend	trans	-87.4	-15.1	-179.7	-68.4	-70.5	0	0	0	113.8	L29 V80 F81 Y87 L514	L29-F85 HydrophobicContact CB-CE1 4.22Å; L29-F85 HydrophobicContact CB-CZ 4.23Å; L29-F85 HydrophobicContact CD1-CD2 4.44Å; L29-F85 HydrophobicContact CD1-CE2 3.72Å; L29-F85 HydrophobicContact CD1-CZ 3.85Å; L29-F85 HydrophobicContact CD2-CD2 3.91Å; L29-F85 HydrophobicContact CD2-CE2 4.03Å; L29-F85 HydrophobicContact CD2-CG 4.26Å; L29-F85 HydrophobicContact CD2-CZ 4.49Å; L29-F85 HydrophobicContact CG-CE2 4.33Å; L29-F85 HydrophobicContact CG-CZ 4.41Å; V80-F85 HydrophobicContact CG1-CD2 3.79Å; V80-F85 HydrophobicContact CG1-CE2 3.58Å; V80-F85 PolarHBondContact O-N 3.26Å; F81-F85 CarbonylContact O-C 3.52Å; F81-F85 WeakPolarHBondContact O-CB 3.4Å; F85-Y87 HydrophobicContact CB-CD2 3.63Å; F85-Y87 HydrophobicContact CB-CE2 3.6Å; F85-Y87 HydrophobicContact CG-CE2 4.28Å; F85-L514 HydrophobicContact CE2-CB 4.44Å; F85-L514 HydrophobicContact CZ-CB 4.13Å
86	G	97.3	Very high	97.9	Very high	37 Å²	37	26.4 Å²	26.4	38%	0.381	13%	0.131	S	C	.	.			trans	72.6	31.8	176.2	0	0	0	0	0	113.7	F81 R82	F81-G86 PolarHBondContact O-N 3.39Å; F81-G86 VanDerWaalsContact O-N 3.12Å; R82-G86 WeakPolarHBondContact O-CA 3.5Å; R82-G86 PolarHBondContact O-N 3.39Å
87	Y	98.3	Very high	97.8	Very high	44 Å²	44	26.9 Å²	26.9	17%	0.173	13%	0.134	C	C	.	.			trans	-76.5	148.1	167.7	-69.4	-71.6	0	0	0	110.8	L29 F42 P44 V50 F81 R82 F85 V89	L29-Y87 HydrophobicContact CD2-CE2 3.82Å; F42-Y87 HydrophobicContact CD1-CE1 4.23Å; F42-Y87 HydrophobicContact CD1-CE2 4.05Å; F42-Y87 AromaticContact CD1-CZ 3.73Å; F42-Y87 HydrophobicContact CE1-CD1 4.31Å; F42-Y87 HydrophobicContact CE1-CD2 4.49Å; F42-Y87 AromaticContact CE1-CE1 3.93Å; F42-Y87 HydrophobicContact CE1-CE1 3.93Å; F42-Y87 HydrophobicContact CE1-CE2 4.13Å; F42-Y87 AromaticContact CE1-CZ 3.84Å; P44-Y87 HydrophobicContact CG-CE1 4.24Å; V50-Y87 HydrophobicContact CG2-CD1 3.91Å; V50-Y87 HydrophobicContact CG2-CG 4.01Å; F81-Y87 HydrophobicContact CB-CD2 4.23Å; F81-Y87 AromaticContact CD1-CD2 3.9Å; F81-Y87 HydrophobicContact CD1-CD2 3.9Å; F81-Y87 HydrophobicContact CD1-CE2 4.33Å; F81-Y87 HydrophobicContact CG-CD2 4.33Å; F81-Y87 WeakPolarHBondContact O-CD2 3.13Å; F81-Y87 PolarHBondContact O-N 2.94Å; R82-Y87 WeakPolarHBondContact CA-O 3.33Å; F85-Y87 HydrophobicContact CB-CD2 3.63Å; F85-Y87 HydrophobicContact CB-CE2 3.6Å; F85-Y87 HydrophobicContact CG-CE2 4.28Å; Y87-V89 PolarHBondContact O-N 3.32Å
88	D	97.9	Very high	97.5	Very high	110 Å²	110	27.2 Å²	27.2	59%	0.588	14%	0.136	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	89.8	172.4	-176.4	22.5	0	0	0	108.5	K48 R49 V50	K48-D88 PolarHBondContact O-N 3.43Å; R49-D88 CarbonylContact C-O 3.59Å; R49-D88 WeakPolarHBondContact CA-O 3.35Å; V50-D88 PolarHBondContact N-O 2.56Å
89	V	98.2	Very high	97.2	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.079	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.1	-173.6	-178.1	0	0	0	0	109.6	V50 W52 R78 F81 R82 Y87 F91	V50-V89 HydrophobicContact CB-CG2 4.35Å; W52-V89 HydrophobicContact CB-CG1 4.43Å; W52-V89 HydrophobicContact CE3-CG1 4.37Å; R78-V89 HydrophobicContact CB-CG1 4.46Å; F81-V89 HydrophobicContact CB-CG2 3.9Å; R82-V89 HydrophobicContact CB-CG2 4.12Å; Y87-V89 PolarHBondContact O-N 3.32Å; V89-F91 HydrophobicContact CG1-CB 4.32Å; V89-F91 HydrophobicContact CG1-CD2 4.24Å
90	E	97.8	Very high	96.8	Very high	49 Å²	49	27.2 Å²	27.2	23%	0.229	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.6	167	-174.6	176.3	-160.9	0	0	107.5	R49 V50 R51 W52 I92	R49-E90 IonicContact CZ-OE2 3.97Å; R49-E90 IonicContact NE-OE2 3.97Å; R49-E90 PolarHBondContact NE-OE2 2.66Å; R49-E90 IonicContact NH2-OE1 3.11Å; R49-E90 IonicContact NH2-OE2 3.91Å; R49-E90 PolarHBondContact NH2-OE2 3.18Å; V50-E90 PolarHBondContact O-N 2.89Å; R51-E90 IonicContact NE-OE2 3.76Å; W52-E90 PolarHBondContact N-O 2.86Å; E90-I92 HydrophobicContact CG-CD1 4.06Å; E90-I92 WeakPolarHBondContact O-CD1 3.36Å
91	F	98.3	Very high	96.4	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.2	-170	-159.4	-93.9	0	0	0	111.1	W52 I54 L74 R78 V89 V236 D237 V238	W52-F91 HydrophobicContact CB-CD2 3.93Å; W52-F91 HydrophobicContact CB-CE2 4.41Å; W52-F91 AromaticContact CD1-CE2 3.75Å; W52-F91 AromaticContact CD2-CD2 3.95Å; W52-F91 HydrophobicContact CD2-CD2 3.95Å; W52-F91 AromaticContact CD2-CE2 3.68Å; W52-F91 HydrophobicContact CD2-CE2 3.68Å; W52-F91 AromaticContact CE2-CE2 3.77Å; W52-F91 HydrophobicContact CE3-CD2 4.39Å; W52-F91 HydrophobicContact CE3-CE2 4.29Å; W52-F91 AromaticContact CG-CD2 3.72Å; W52-F91 HydrophobicContact CG-CD2 3.72Å; W52-F91 AromaticContact CG-CE2 3.7Å; W52-F91 HydrophobicContact CG-CE2 3.7Å; W52-F91 HydrophobicContact CZ2-CE2 4.47Å; W52-F91 AromaticContact NE1-CE2 3.78Å; I54-F91 HydrophobicContact CB-CZ 4.49Å; I54-F91 HydrophobicContact CD1-CE1 3.51Å; I54-F91 HydrophobicContact CD1-CZ 3.73Å; I54-F91 HydrophobicContact CG1-CE1 3.9Å; I54-F91 HydrophobicContact CG1-CZ 4.12Å; I54-F91 HydrophobicContact CG2-CE1 4.16Å; I54-F91 HydrophobicContact CG2-CE2 3.98Å; I54-F91 HydrophobicContact CG2-CZ 3.56Å; L74-F91 HydrophobicContact CB-CZ 4.31Å; R78-F91 HydrophobicContact CB-CD2 3.87Å; R78-F91 HydrophobicContact CB-CE2 3.85Å; R78-F91 HydrophobicContact CG-CD2 4.35Å; R78-F91 HydrophobicContact CG-CE2 4.26Å; R78-F91 VanDerWaalsContact NH1-CD1 3.33Å; V89-F91 HydrophobicContact CG1-CB 4.32Å; V89-F91 HydrophobicContact CG1-CD2 4.24Å; F91-V236 HydrophobicContact CD1-CB 4.25Å; F91-V236 HydrophobicContact CD1-CG1 3.77Å; F91-V236 HydrophobicContact CE1-CG1 4.07Å; F91-D237 WeakPolarHBondContact CB-OD2 3.27Å; F91-D237 PolarHBondContact N-OD2 2.83Å; F91-D237 PolarHBondContact O-N 3.27Å; F91-V238 PolarHBondContact O-N 2.82Å
92	I	98.5	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.9	-172.9	-53	94.6	0	0	0	109.9	W52 Y53 I54 E90 V238 I362	W52-I92 WeakPolarHBondContact O-CD1 3.46Å; W52-I92 PolarHBondContact O-N 3.03Å; Y53-I92 CarbonylContact C-O 3.55Å; Y53-I92 WeakPolarHBondContact CA-O 3.38Å; Y53-I92 HydrophobicContact CD2-CB 4Å; Y53-I92 HydrophobicContact CD2-CG2 3.65Å; Y53-I92 HydrophobicContact CE2-CG2 4.02Å; I54-I92 PolarHBondContact N-O 3.15Å; E90-I92 HydrophobicContact CG-CD1 4.06Å; E90-I92 WeakPolarHBondContact O-CD1 3.36Å; I92-V238 WeakPolarHBondContact CA-O 3.37Å; I92-V238 HydrophobicContact CB-CB 4.39Å; I92-V238 HydrophobicContact CG1-CB 4Å; I92-V238 HydrophobicContact CG1-CG2 4.32Å; I92-V238 HydrophobicContact CG2-CB 4.06Å; I92-V238 HydrophobicContact CG2-CG1 4.21Å; I92-I362 HydrophobicContact CG1-CG2 3.99Å
93	M	98.3	Very high	95.9	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.039	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.5	175.2	178.7	-179	71.3	0	0	110.7	I54 Y71 I95 F224 V236 V238 L239 T240	I54-M93 HydrophobicContact CD1-CB 4.21Å; I54-M93 HydrophobicContact CD1-CG 4.08Å; I54-M93 HydrophobicContact CD1-SD 3.94Å; I54-M93 HydrophobicContact CG1-CB 3.68Å; I54-M93 HydrophobicContact CG1-CG 3.8Å; I54-M93 HydrophobicContact CG1-SD 4.34Å; I54-M93 WeakPolarHBondContact O-CA 3.32Å; Y71-M93 HydrophobicContact CD1-SD 4.46Å; Y71-M93 HydrophobicContact CE1-SD 3.98Å; M93-I95 HydrophobicContact CE-CD1 4.21Å; M93-F224 HydrophobicContact CE-CE1 3.76Å; M93-F224 HydrophobicContact CE-CZ 4.31Å; M93-F224 HydrophobicContact SD-CE1 4.21Å; M93-F224 HydrophobicContact SD-CZ 4.19Å; M93-V236 HydrophobicContact CB-CB 4.32Å; M93-V236 HydrophobicContact CB-CG1 3.77Å; M93-V236 HydrophobicContact CB-CG2 4.29Å; M93-V236 HydrophobicContact CE-CG1 3.92Å; M93-V236 HydrophobicContact CE-CG2 4.27Å; M93-V236 HydrophobicContact SD-CG1 4.22Å; M93-V238 PolarHBondContact N-O 2.93Å; M93-L239 HydrophobicContact CE-CD1 3.79Å; M93-L239 VanDerWaalsContact O-CA 3.3Å; M93-L239 WeakPolarHBondContact O-CA 3.37Å; M93-T240 PolarHBondContact O-N 3.4Å; M93-T240 VanDerWaalsContact O-N 3.09Å
94	N	97.8	Very high	95.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	164.8	169.1	70.6	-51.9	0	0	0	112.9	Y53 C55 G56 T240 M358	Y53-N94 VanDerWaalsContact OH-CB 3.28Å; Y53-N94 WeakPolarHBondContact OH-CB 3.45Å; Y53-N94 PolarHBondContact OH-OD1 3.35Å; C55-N94 WeakPolarHBondContact CA-OD1 3.41Å; G56-N94 WeakPolarHBondContact CA-O 3.44Å; G56-N94 PolarHBondContact N-OD1 3.24Å; N94-T240 CarbonylContact C-O 3.11Å; N94-T240 VanDerWaalsContact CA-O 3.3Å; N94-T240 WeakPolarHBondContact CA-O 3.42Å; N94-T240 WeakPolarHBondContact CA-OG1 3.36Å; N94-T240 WeakPolarHBondContact CB-OG1 3.38Å; N94-M358 HydrophobicContact CB-CE 3.31Å; N94-M358 HydrophobicContact CB-SD 3.86Å
95	I	97.8	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.4	162.1	-61.2	-60	0	0	0	106.7	P57 V59 M93 D97 E221 F224 L239 T240 R241 V242	P57-I95 HydrophobicContact CG-CD1 3.98Å; V59-I95 HydrophobicContact CB-CG2 4.39Å; V59-I95 HydrophobicContact CG1-CG2 3.68Å; V59-I95 HydrophobicContact CG2-CG2 3.76Å; M93-I95 HydrophobicContact CE-CD1 4.21Å; I95-D97 HydrophobicContact CG2-CB 4.32Å; I95-D97 PolarHBondContact O-N 2.99Å; I95-D97 VanDerWaalsContact O-N 3.12Å; I95-E221 HydrophobicContact CD1-CG 4.38Å; I95-E221 HydrophobicContact CG1-CG 4.17Å; I95-E221 HydrophobicContact CG2-CG 4.16Å; I95-F224 HydrophobicContact CD1-CD1 4.2Å; I95-F224 HydrophobicContact CD1-CE1 4.14Å; I95-L239 HydrophobicContact CD1-CD1 4.18Å; I95-L239 HydrophobicContact CG1-CD1 4Å; I95-L239 HydrophobicContact CG1-CD2 3.91Å; I95-L239 HydrophobicContact CG1-CG 4.04Å; I95-T240 PolarHBondContact N-O 2.81Å; I95-R241 HydrophobicContact CB-CG 4.32Å; I95-V242 PolarHBondContact O-N 3.4Å
96	T	96.8	Very high	95.2	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-78.1	94.8	169.8	-51.3	0	0	0	0	108.1	P57 T58 V59 D99 I102 V242 E354	P57-T96 PolarHBondContact O-N 3.46Å; P57-T96 VanDerWaalsContact O-N 3.11Å; T58-T96 HydrophobicContact CG2-CG2 4.02Å; V59-T96 WeakPolarHBondContact CG2-O 3.36Å; V59-T96 PolarHBondContact N-O 3.49Å; T96-D99 HydrophobicContact CG2-CB 3.96Å; T96-I102 WeakPolarHBondContact O-CD1 3.27Å; T96-V242 HydrophobicContact CG2-CG2 4.47Å; T96-E354 VanDerWaalsContact CB-OE1 3.3Å; T96-E354 WeakPolarHBondContact CB-OE1 3.38Å; T96-E354 WeakPolarHBondContact CG2-OE1 3.44Å; T96-E354 PolarHBondContact OG1-OE1 3.28Å
97	D	95.6	Very high	95	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.08	11%	0.11	C	C	.	.			trans	-99.9	-0.5	178.1	66.9	-24.7	0	0	0	113.5	V59 I95 I102 A217 V242 S243	V59-D97 HydrophobicContact CG2-CB 4.15Å; I95-D97 HydrophobicContact CG2-CB 4.32Å; I95-D97 PolarHBondContact O-N 2.99Å; I95-D97 VanDerWaalsContact O-N 3.12Å; D97-I102 WeakPolarHBondContact O-CD1 3.28Å; D97-A217 HydrophobicContact CB-CB 3.97Å; D97-V242 WeakPolarHBondContact OD1-CA 3.25Å; D97-V242 WeakPolarHBondContact OD1-CB 3.13Å; D97-V242 PolarHBondContact OD1-N 2.92Å; D97-S243 PolarHBondContact OD1-N 2.86Å; D97-S243 VanDerWaalsContact OD2-CB 3.24Å; D97-S243 WeakPolarHBondContact OD2-CB 3.39Å; D97-S243 PolarHBondContact OD2-OG 3.05Å
98	V	92.3	Very high	94.8	Very high	11 Å²	11	22.5 Å²	22.5	7%	0.067	11%	0.106	C	C	.	.	S	Bend	trans	-132.5	110.1	173.8	-174.9	0	0	0	0	109.4	V242 W340 R348	V98-V242 HydrophobicContact CB-CG1 4.34Å; V98-W340 HydrophobicContact CB-CH2 4.46Å; V98-W340 HydrophobicContact CG1-CH2 3.94Å; V98-W340 HydrophobicContact CG1-CZ3 3.84Å; V98-W340 HydrophobicContact CG2-CH2 3.62Å; V98-W340 HydrophobicContact CG2-CZ2 4.34Å; V98-W340 HydrophobicContact CG2-CZ3 4.34Å; V98-R348 HydrophobicContact CG1-CB 4.34Å
99	D	91.2	Very high	94.4	Very high	10 Å²	10	19 Å²	19	5%	0.053	9%	0.09	C	C	.	.	S	Bend	trans	-160.4	161.3	176	177.1	46.9	0	0	0	110.8	T58 T96 K101 I102 I103	T58-D99 HydrophobicContact CG2-CB 3.92Å; T96-D99 HydrophobicContact CG2-CB 3.96Å; D99-K101 PolarHBondContact O-N 3.41Å; D99-K101 WeakPolarHBondContact OD2-CB 3.34Å; D99-K101 WeakPolarHBondContact OD2-CG 3.4Å; D99-K101 PolarHBondContact OD2-N 3.21Å; D99-K101 VanDerWaalsContact OD2-N 3.1Å; D99-I102 PolarHBondContact O-N 2.83Å; D99-I103 VanDerWaalsContact O-CG1 3.3Å; D99-I103 WeakPolarHBondContact O-CG1 3.47Å; D99-I103 PolarHBondContact O-N 3.41Å
100	D	88.9	Confident	94.2	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-50.3	-40.4	174.4	-74.3	32.3	0	0	0	111.9	I103 K104 G309 E310 L311 K331 R348	D100-I103 PolarHBondContact O-N 3.05Å; D100-K104 WeakPolarHBondContact O-CB 3.44Å; D100-K104 PolarHBondContact O-N 2.9Å; D100-G309 WeakPolarHBondContact OD2-CA 3.38Å; D100-E310 PolarHBondContact OD2-N 2.78Å; D100-L311 HydrophobicContact CB-CD1 4.22Å; D100-L311 HydrophobicContact CB-CG 4.25Å; D100-L311 WeakPolarHBondContact OD2-CB 3.42Å; D100-L311 PolarHBondContact OD2-N 3.19Å; D100-K331 IonicContact OD1-NZ 3.89Å; D100-R348 IonicContact OD1-CZ 2.82Å; D100-R348 IonicContact OD1-NH1 2.79Å; D100-R348 PolarHBondContact OD1-NH1 3.43Å; D100-R348 IonicContact OD1-NH2 3.63Å; D100-R348 PolarHBondContact OD1-NH2 2.8Å; D100-R348 IonicContact OD2-NH2 3.35Å
101	K	90.4	Very high	93.9	Very high	95 Å²	95	20.6 Å²	20.6	41%	0.413	10%	0.097	S	C	.	.	H	α-helix	trans	-67.2	-38.6	-180	-66.3	173	-174.3	161.5	0	112.2	Y60 D99 R105	Y60-K101 HydrophobicContact CD1-CB 3.99Å; Y60-K101 HydrophobicContact CD1-CD 4.28Å; Y60-K101 HydrophobicContact CD2-CB 4.23Å; Y60-K101 HydrophobicContact CE1-CB 4.3Å; Y60-K101 HydrophobicContact CE1-CD 3.82Å; Y60-K101 HydrophobicContact CG-CB 3.94Å; D99-K101 PolarHBondContact O-N 3.41Å; D99-K101 WeakPolarHBondContact OD2-CB 3.34Å; D99-K101 WeakPolarHBondContact OD2-CG 3.4Å; D99-K101 PolarHBondContact OD2-N 3.21Å; D99-K101 VanDerWaalsContact OD2-N 3.1Å; K101-R105 WeakPolarHBondContact O-CB 3.1Å; K101-R105 PolarHBondContact O-N 2.97Å
102	I	92.8	Very high	93.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-67.6	-47.8	176.6	-66.8	173.2	0	0	0	109.2	T58 V59 T96 D97 D99 K104 R105 A106 L216 A217	T58-I102 HydrophobicContact CG2-CD1 3.91Å; T58-I102 HydrophobicContact CG2-CG1 3.98Å; V59-I102 HydrophobicContact CG2-CD1 4.14Å; T96-I102 WeakPolarHBondContact O-CD1 3.27Å; D97-I102 WeakPolarHBondContact O-CD1 3.28Å; D99-I102 PolarHBondContact O-N 2.83Å; I102-K104 PolarHBondContact O-N 3.46Å; I102-R105 PolarHBondContact O-N 3.45Å; I102-A106 WeakPolarHBondContact O-CB 3.38Å; I102-A106 PolarHBondContact O-N 3.13Å; I102-L216 HydrophobicContact CG2-CD2 4.37Å; I102-A217 HydrophobicContact CG2-CB 4.46Å
103	I	92.6	Very high	93	Very high	2 Å²	2	29 Å²	29	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-56.1	-54.8	179.9	-65.3	167	0	0	0	110.3	D99 D100 R105 A106 R107 F213 L311 E337 P338	D99-I103 VanDerWaalsContact O-CG1 3.3Å; D99-I103 WeakPolarHBondContact O-CG1 3.47Å; D99-I103 PolarHBondContact O-N 3.41Å; D100-I103 PolarHBondContact O-N 3.05Å; I103-R105 PolarHBondContact O-N 3.47Å; I103-A106 PolarHBondContact O-N 3.43Å; I103-R107 WeakPolarHBondContact O-CG 3.5Å; I103-R107 PolarHBondContact O-N 3.23Å; I103-R107 VanDerWaalsContact O-N 3.09Å; I103-F213 HydrophobicContact CB-CD1 4.36Å; I103-F213 HydrophobicContact CB-CE1 4.16Å; I103-F213 HydrophobicContact CG1-CD1 4.28Å; I103-F213 HydrophobicContact CG1-CE1 4.37Å; I103-F213 HydrophobicContact CG2-CD1 4.46Å; I103-F213 HydrophobicContact CG2-CE1 3.78Å; I103-F213 HydrophobicContact CG2-CZ 4.47Å; I103-L311 HydrophobicContact CB-CD1 4Å; I103-L311 HydrophobicContact CG2-CD1 3.72Å; I103-E337 HydrophobicContact CG2-CB 4.47Å; I103-E337 HydrophobicContact CG2-CG 4.08Å; I103-P338 HydrophobicContact CD1-CG 3.87Å; I103-P338 HydrophobicContact CG1-CG 3.78Å
104	K	91.9	Very high	92.4	Very high	37 Å²	37	31 Å²	31	16%	0.161	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-49.5	179.5	-173.1	176.4	-172.9	178	0	111.3	D100 I102 A106 R107 Q108 E197 E310	D100-K104 WeakPolarHBondContact O-CB 3.44Å; D100-K104 PolarHBondContact O-N 2.9Å; I102-K104 PolarHBondContact O-N 3.46Å; K104-A106 VanDerWaalsContact C-N 3.35Å; K104-A106 PolarHBondContact O-N 3.2Å; K104-R107 PolarHBondContact O-N 3.05Å; K104-Q108 HydrophobicContact CG-CG 4.45Å; K104-Q108 VanDerWaalsContact O-CB 3.31Å; K104-Q108 WeakPolarHBondContact O-CB 3.19Å; K104-Q108 WeakPolarHBondContact O-CG 3.29Å; K104-Q108 PolarHBondContact O-N 3.43Å; K104-E197 IonicContact NZ-OE1 3.15Å; K104-E310 IonicContact NZ-OE2 3.36Å; K104-E310 PolarHBondContact NZ-OE2 3.18Å
105	R	92.4	Very high	91.8	Very high	71 Å²	71	32.2 Å²	32.2	27%	0.268	15%	0.153	S	C	.	.	H	α-helix	trans	-66.6	-36.4	-176.8	-174.9	55.1	173.6	169.1	-0.6	112.6	Y60 K101 I102 I103 S109 L216	Y60-R105 WeakPolarHBondContact O-CG 3.44Å; K101-R105 WeakPolarHBondContact O-CB 3.1Å; K101-R105 PolarHBondContact O-N 2.97Å; I102-R105 PolarHBondContact O-N 3.45Å; I103-R105 PolarHBondContact O-N 3.47Å; R105-S109 VanDerWaalsContact O-CB 3.25Å; R105-S109 WeakPolarHBondContact O-CB 3.22Å; R105-S109 PolarHBondContact O-N 2.94Å; R105-S109 PolarHBondContact O-OG 2.98Å; R105-L216 HydrophobicContact CB-CD2 3.91Å; R105-L216 HydrophobicContact CG-CD1 4.48Å; R105-L216 HydrophobicContact CG-CD2 3.85Å
106	A	93.6	Very high	90.9	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-49.2	178.8	0	0	0	0	0	110.7	I102 I103 K104 S109 H110 V212 F213 L216	I102-A106 WeakPolarHBondContact O-CB 3.38Å; I102-A106 PolarHBondContact O-N 3.13Å; I103-A106 PolarHBondContact O-N 3.43Å; K104-A106 VanDerWaalsContact C-N 3.35Å; K104-A106 PolarHBondContact O-N 3.2Å; A106-S109 PolarHBondContact O-N 2.96Å; A106-H110 VanDerWaalsContact O-CB 3.26Å; A106-H110 WeakPolarHBondContact O-CB 3.21Å; A106-H110 PolarHBondContact O-N 2.77Å; A106-V212 HydrophobicContact CB-CG1 4.12Å; A106-F213 HydrophobicContact CB-CD1 3.57Å; A106-F213 HydrophobicContact CB-CE1 4.12Å; A106-F213 HydrophobicContact CB-CG 4.37Å; A106-L216 HydrophobicContact CB-CB 4.1Å; A106-L216 HydrophobicContact CB-CD2 3.91Å; A106-L216 HydrophobicContact CB-CG 4.5Å
107	R	93.9	Very high	90.1	Very high	17 Å²	17	39.4 Å²	39.4	6%	0.064	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-48.7	175.9	-65.2	-174.3	-47.1	-156.8	3.5	111.9	I103 K104 S109 H110 L111 D200 V207 F213 G336	I103-R107 WeakPolarHBondContact O-CG 3.5Å; I103-R107 PolarHBondContact O-N 3.23Å; I103-R107 VanDerWaalsContact O-N 3.09Å; K104-R107 PolarHBondContact O-N 3.05Å; R107-S109 VanDerWaalsContact C-N 3.3Å; R107-S109 PolarHBondContact O-N 2.91Å; R107-H110 PolarHBondContact O-N 3.3Å; R107-L111 HydrophobicContact CB-CD1 4.5Å; R107-L111 VanDerWaalsContact O-CB 3.31Å; R107-L111 WeakPolarHBondContact O-CB 3.06Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 2.91Å; R107-D200 WeakPolarHBondContact CB-OD1 3.25Å; R107-D200 WeakPolarHBondContact CD-OD1 3.4Å; R107-D200 IonicContact CZ-OD1 3.75Å; R107-D200 IonicContact CZ-OD2 2.71Å; R107-D200 IonicContact NE-OD1 2.71Å; R107-D200 PolarHBondContact NE-OD1 2.88Å; R107-D200 IonicContact NE-OD2 3.37Å; R107-D200 IonicContact NH2-OD1 3.9Å; R107-D200 PolarHBondContact NH2-OD1 2.78Å; R107-D200 IonicContact NH2-OD2 2.9Å; R107-D200 PolarHBondContact NH2-OD2 2.67Å; R107-V207 HydrophobicContact CB-CG2 4.45Å; R107-V207 HydrophobicContact CG-CB 4.17Å; R107-V207 HydrophobicContact CG-CG1 4.24Å; R107-V207 HydrophobicContact CG-CG2 4.2Å; R107-F213 HydrophobicContact CG-CE1 3.78Å; R107-F213 HydrophobicContact CG-CZ 3.99Å; R107-G336 VanDerWaalsContact CD-O 3.29Å; R107-G336 WeakPolarHBondContact CD-O 3.4Å; R107-G336 PolarHBondContact NH1-O 3.34Å
108	Q	93.1	Very high	88.4	Confident	21 Å²	21	47.5 Å²	47.5	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-54.6	-46.8	176.4	-77.5	-179.6	-14	0	0	111.9	K104 L112 D200	K104-Q108 HydrophobicContact CG-CG 4.45Å; K104-Q108 VanDerWaalsContact O-CB 3.31Å; K104-Q108 WeakPolarHBondContact O-CB 3.19Å; K104-Q108 WeakPolarHBondContact O-CG 3.29Å; K104-Q108 PolarHBondContact O-N 3.43Å; Q108-L112 WeakPolarHBondContact O-CB 3.45Å; Q108-L112 PolarHBondContact O-N 3.3Å; Q108-D200 HydrophobicContact CG-CB 3.83Å
109	S	91.4	Very high	87	Confident	36 Å²	36	52.2 Å²	52.2	25%	0.252	26%	0.26	S	S	.	.	H	α-helix	trans	-70	-40.5	-178	-57.4	0	0	0	0	111.7	R105 A106 R107 K113	R105-S109 VanDerWaalsContact O-CB 3.25Å; R105-S109 WeakPolarHBondContact O-CB 3.22Å; R105-S109 PolarHBondContact O-N 2.94Å; R105-S109 PolarHBondContact O-OG 2.98Å; A106-S109 PolarHBondContact O-N 2.96Å; R107-S109 VanDerWaalsContact C-N 3.3Å; R107-S109 PolarHBondContact O-N 2.91Å; S109-K113 WeakPolarHBondContact O-CB 3.48Å; S109-K113 PolarHBondContact O-N 3.24Å
110	H	92.2	Very high	85.6	Confident	72 Å²	72	59.3 Å²	59.3	33%	0.333	29%	0.292	S	S	.	.	H	α-helix	trans	-64.8	-53.7	176.9	177.2	84.2	0	0	0	111.8	A106 R107 L112 K113 S114 V212	A106-H110 VanDerWaalsContact O-CB 3.26Å; A106-H110 WeakPolarHBondContact O-CB 3.21Å; A106-H110 PolarHBondContact O-N 2.77Å; R107-H110 PolarHBondContact O-N 3.3Å; H110-L112 VanDerWaalsContact C-N 3.34Å; H110-L112 PolarHBondContact O-N 3.39Å; H110-K113 PolarHBondContact O-N 3.35Å; H110-S114 WeakPolarHBondContact O-CB 3.4Å; H110-S114 PolarHBondContact O-N 2.95Å; H110-S114 PolarHBondContact O-OG 3.45Å; H110-S114 VanDerWaalsContact O-OG 3.1Å; H110-V212 HydrophobicContact CB-CG1 3.57Å
111	L	91.6	Very high	84.6	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-42.4	-179.4	-68.6	169.6	0	0	0	111.3	R107 S114 Y115 L199 H203 V207	R107-L111 HydrophobicContact CB-CD1 4.5Å; R107-L111 VanDerWaalsContact O-CB 3.31Å; R107-L111 WeakPolarHBondContact O-CB 3.06Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 2.91Å; L111-S114 PolarHBondContact O-N 2.94Å; L111-Y115 VanDerWaalsContact O-CB 3.3Å; L111-Y115 WeakPolarHBondContact O-CB 3.35Å; L111-Y115 PolarHBondContact O-N 3.34Å; L111-L199 HydrophobicContact CB-CB 4.14Å; L111-L199 HydrophobicContact CD1-CB 4.45Å; L111-H203 HydrophobicContact CD1-CB 4.16Å; L111-H203 HydrophobicContact CD2-CB 3.9Å; L111-V207 HydrophobicContact CD1-CG2 4.24Å; L111-V207 HydrophobicContact CD2-CG2 3.96Å; L111-V207 HydrophobicContact CG-CG2 4.06Å
112	L	89.6	Confident	83.8	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-41.1	176.6	-168.9	71.8	0	0	0	111.8	Q108 H110 Y115 F116 R192 L195 L199	Q108-L112 WeakPolarHBondContact O-CB 3.45Å; Q108-L112 PolarHBondContact O-N 3.3Å; H110-L112 VanDerWaalsContact C-N 3.34Å; H110-L112 PolarHBondContact O-N 3.39Å; L112-Y115 PolarHBondContact O-N 2.91Å; L112-F116 HydrophobicContact CD1-CD2 4.13Å; L112-F116 HydrophobicContact CD1-CE2 3.37Å; L112-F116 HydrophobicContact CD1-CZ 3.97Å; L112-F116 HydrophobicContact CD2-CE2 4.17Å; L112-F116 HydrophobicContact CG-CD2 3.9Å; L112-F116 HydrophobicContact CG-CE2 3.53Å; L112-F116 WeakPolarHBondContact O-CD2 3.46Å; L112-F116 PolarHBondContact O-N 2.96Å; L112-F116 VanDerWaalsContact O-N 3.16Å; L112-R192 HydrophobicContact CD2-CB 3.98Å; L112-R192 HydrophobicContact CD2-CG 4.26Å; L112-L195 HydrophobicContact CD1-CB 4.45Å; L112-L195 HydrophobicContact CD1-CD2 3.95Å; L112-L195 HydrophobicContact CD1-CG 4.14Å; L112-L199 HydrophobicContact CD1-CD1 4.09Å
113	K	88.7	Confident	83	Confident	169 Å²	169	62.6 Å²	62.6	74%	0.735	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-41.5	175.9	-176.4	179.4	177.8	-175.2	0	111.5	S109 H110 F116 N117	S109-K113 WeakPolarHBondContact O-CB 3.48Å; S109-K113 PolarHBondContact O-N 3.24Å; H110-K113 PolarHBondContact O-N 3.35Å; K113-F116 PolarHBondContact O-N 2.89Å; K113-N117 PolarHBondContact O-N 3.42Å
114	S	87.1	Confident	82	Confident	50 Å²	50	64.3 Å²	64.3	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-40.4	175.6	-64.1	0	0	0	0	111.7	H110 L111 F116 N117	H110-S114 WeakPolarHBondContact O-CB 3.4Å; H110-S114 PolarHBondContact O-N 2.95Å; H110-S114 PolarHBondContact O-OG 3.45Å; H110-S114 VanDerWaalsContact O-OG 3.1Å; L111-S114 PolarHBondContact O-N 2.94Å; S114-F116 VanDerWaalsContact C-N 3.29Å; S114-F116 PolarHBondContact O-N 3.39Å; S114-N117 WeakPolarHBondContact O-CB 3.33Å; S114-N117 PolarHBondContact O-N 3.15Å
115	Y	85	Confident	81.2	Confident	27 Å²	27	68.7 Å²	68.7	11%	0.106	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-34.5	176.8	-170.1	-91.3	0	0	0	112.7	L111 L112 P122 V127 D130 L195 L199	L111-Y115 VanDerWaalsContact O-CB 3.3Å; L111-Y115 WeakPolarHBondContact O-CB 3.35Å; L111-Y115 PolarHBondContact O-N 3.34Å; L112-Y115 PolarHBondContact O-N 2.91Å; Y115-P122 HydrophobicContact CD1-CG 4.16Å; Y115-P122 HydrophobicContact CD2-CG 4.18Å; Y115-P122 HydrophobicContact CE1-CG 3.58Å; Y115-P122 HydrophobicContact CE2-CG 3.62Å; Y115-P122 HydrophobicContact CG-CG 4.43Å; Y115-P122 WeakPolarHBondContact O-CD 3.4Å; Y115-P122 WeakPolarHBondContact OH-CG 3.36Å; Y115-V127 HydrophobicContact CE1-CG2 4.16Å; Y115-D130 WeakPolarHBondContact CE2-OD2 3.49Å; Y115-D130 WeakPolarHBondContact OH-CB 3.44Å; Y115-D130 PolarHBondContact OH-OD2 3.46Å; Y115-L195 HydrophobicContact CD1-CD2 4.16Å; Y115-L195 HydrophobicContact CE1-CD2 3.94Å; Y115-L199 HydrophobicContact CD2-CD1 4.17Å; Y115-L199 HydrophobicContact CD2-CD2 3.85Å; Y115-L199 HydrophobicContact CE2-CD2 4.25Å; Y115-L199 HydrophobicContact CG-CD1 4.08Å
116	F	78.8	Confident	80.6	Confident	66 Å²	66	69.5 Å²	69.5	29%	0.289	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	2.2	178.9	-65.8	-50.1	0	0	0	115.3	L112 K113 S114 E118 L188 L195	L112-F116 HydrophobicContact CD1-CD2 4.13Å; L112-F116 HydrophobicContact CD1-CE2 3.37Å; L112-F116 HydrophobicContact CD1-CZ 3.97Å; L112-F116 HydrophobicContact CD2-CE2 4.17Å; L112-F116 HydrophobicContact CG-CD2 3.9Å; L112-F116 HydrophobicContact CG-CE2 3.53Å; L112-F116 WeakPolarHBondContact O-CD2 3.46Å; L112-F116 PolarHBondContact O-N 2.96Å; L112-F116 VanDerWaalsContact O-N 3.16Å; K113-F116 PolarHBondContact O-N 2.89Å; S114-F116 VanDerWaalsContact C-N 3.29Å; S114-F116 PolarHBondContact O-N 3.39Å; F116-E118 PolarHBondContact O-N 2.7Å; F116-L188 HydrophobicContact CD1-CD1 4.24Å; F116-L188 HydrophobicContact CE1-CB 4.32Å; F116-L188 HydrophobicContact CE1-CD1 3.68Å; F116-L188 HydrophobicContact CE1-CD2 3.4Å; F116-L188 HydrophobicContact CE1-CG 3.98Å; F116-L188 HydrophobicContact CZ-CB 4.26Å; F116-L188 HydrophobicContact CZ-CD1 4.43Å; F116-L188 HydrophobicContact CZ-CD2 3.69Å; F116-L188 HydrophobicContact CZ-CG 4.34Å; F116-L195 HydrophobicContact CZ-CD2 3.96Å
117	N	78.9	Confident	79.9	Confident	87 Å²	87	69.6 Å²	69.6	47%	0.465	37%	0.367	S	S	.	.			trans	-68.5	119.4	-180	-171.2	-5.6	0	0	0	110.2	K113 S114 S119 Q120 A121	K113-N117 PolarHBondContact O-N 3.42Å; S114-N117 WeakPolarHBondContact O-CB 3.33Å; S114-N117 PolarHBondContact O-N 3.15Å; N117-S119 PolarHBondContact O-N 2.99Å; N117-Q120 CarbonylContact O-C 3.43Å; N117-Q120 PolarHBondContact O-N 3.34Å; N117-A121 PolarHBondContact O-N 3.45Å
118	E	60	Low	79.1	Confident	185 Å²	185	70 Å²	70	86%	0.864	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.5	-170.4	-69.2	-179.1	175	0	0	114.4	F116 Q120	F116-E118 PolarHBondContact O-N 2.7Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 2.87Å
119	S	62.3	Low	78.6	Confident	110 Å²	110	74.6 Å²	74.6	77%	0.769	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15.9	178	-54.8	0	0	0	0	114.1	N117	N117-S119 PolarHBondContact O-N 2.99Å
120	Q	61.8	Low	78.5	Confident	159 Å²	159	73.3 Å²	73.3	74%	0.743	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	13.1	-177.2	-65.4	-175.5	-10.3	0	0	112.7	N117 E118	N117-Q120 CarbonylContact O-C 3.43Å; N117-Q120 PolarHBondContact O-N 3.34Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 2.87Å
121	A	68.3	Low	78.2	Confident	49 Å²	49	69.9 Å²	69.9	41%	0.405	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-65.4	131.5	-175.9	0	0	0	0	0	110.6	N117	N117-A121 PolarHBondContact O-N 3.45Å
122	P	73.3	Confident	77.9	Confident	28 Å²	28	71.6 Å²	71.6	18%	0.182	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-66	150	179.5	17.4	-21.1	0	0	0	111.5	Y115 K126 V127	Y115-P122 HydrophobicContact CD1-CG 4.16Å; Y115-P122 HydrophobicContact CD2-CG 4.18Å; Y115-P122 HydrophobicContact CE1-CG 3.58Å; Y115-P122 HydrophobicContact CE2-CG 3.62Å; Y115-P122 HydrophobicContact CG-CG 4.43Å; Y115-P122 WeakPolarHBondContact O-CD 3.4Å; Y115-P122 WeakPolarHBondContact OH-CG 3.36Å; P122-K126 HydrophobicContact CB-CB 4Å; P122-K126 HydrophobicContact CB-CG 3.85Å; P122-V127 HydrophobicContact CB-CG2 4.36Å; P122-V127 HydrophobicContact CG-CG2 3.95Å
123	P	77	Confident	77.8	Confident	93 Å²	93	72.7 Å²	72.7	60%	0.604	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-55.9	153.1	172.4	-23.7	33.1	0	0	0	112.1	M125 K126 V127	P123-M125 VanDerWaalsContact C-N 3.25Å; P123-M125 PolarHBondContact O-N 3.17Å; P123-M125 VanDerWaalsContact O-N 3.15Å; P123-K126 WeakPolarHBondContact O-CA 3.44Å; P123-K126 WeakPolarHBondContact O-CB 3.23Å; P123-K126 PolarHBondContact O-N 3.11Å; P123-V127 PolarHBondContact O-N 2.9Å
124	V	72.1	Confident	77.8	Confident	37 Å²	37	64.6 Å²	64.6	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-52.9	-41.1	-177.6	-175.7	0	0	0	0	112.8	K126 V127 C128 K184	V124-K126 VanDerWaalsContact C-N 3.3Å; V124-K126 PolarHBondContact O-N 3.08Å; V124-V127 WeakPolarHBondContact O-CB 3.49Å; V124-V127 PolarHBondContact O-N 2.98Å; V124-C128 PolarHBondContact O-N 3.2Å; V124-C128 PolarHBondContact O-SG 3.26Å; V124-K184 HydrophobicContact CG1-CD 4.14Å; V124-K184 HydrophobicContact CG1-CG 4.39Å; V124-K184 HydrophobicContact CG2-CD 3.72Å
125	M	73.5	Confident	77.8	Confident	130 Å²	130	62.7 Å²	62.7	64%	0.64	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-41.2	176.3	-73.7	-171.2	-69.2	0	0	112.3	P123 C128 E129 M172	P123-M125 VanDerWaalsContact C-N 3.25Å; P123-M125 PolarHBondContact O-N 3.17Å; P123-M125 VanDerWaalsContact O-N 3.15Å; M125-C128 PolarHBondContact O-N 3.12Å; M125-E129 WeakPolarHBondContact O-CG 3.42Å; M125-E129 PolarHBondContact O-N 2.93Å; M125-M172 HydrophobicContact CG-CE 4.22Å
126	K	81.7	Confident	77.9	Confident	88 Å²	88	67.2 Å²	67.2	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-68.4	-37.7	179.5	-176.4	55.1	177.5	152.8	0	111.7	P122 P123 V124 C128 E129 D130	P122-K126 HydrophobicContact CB-CB 4Å; P122-K126 HydrophobicContact CB-CG 3.85Å; P123-K126 WeakPolarHBondContact O-CA 3.44Å; P123-K126 WeakPolarHBondContact O-CB 3.23Å; P123-K126 PolarHBondContact O-N 3.11Å; V124-K126 VanDerWaalsContact C-N 3.3Å; V124-K126 PolarHBondContact O-N 3.08Å; K126-C128 VanDerWaalsContact C-N 3.34Å; K126-C128 PolarHBondContact O-N 3.2Å; K126-E129 IonicContact NZ-OE2 3.83Å; K126-E129 PolarHBondContact O-N 2.9Å; K126-D130 WeakPolarHBondContact CE-OD1 3.29Å; K126-D130 IonicContact NZ-OD1 2.74Å; K126-D130 PolarHBondContact NZ-OD1 2.74Å; K126-D130 WeakPolarHBondContact O-CB 3.36Å; K126-D130 PolarHBondContact O-N 3.32Å
127	V	78.9	Confident	78.2	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.024	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-46	171.6	170.8	0	0	0	0	111.4	Y115 P122 P123 V124 D130 V131 L188	Y115-V127 HydrophobicContact CE1-CG2 4.16Å; P122-V127 HydrophobicContact CB-CG2 4.36Å; P122-V127 HydrophobicContact CG-CG2 3.95Å; P123-V127 PolarHBondContact O-N 2.9Å; V124-V127 WeakPolarHBondContact O-CB 3.49Å; V124-V127 PolarHBondContact O-N 2.98Å; V127-D130 PolarHBondContact O-N 2.58Å; V127-V131 HydrophobicContact CG1-CG2 4.41Å; V127-V131 WeakPolarHBondContact O-CB 3.4Å; V127-V131 VanDerWaalsContact O-CG2 3.25Å; V127-V131 WeakPolarHBondContact O-CG2 3.38Å; V127-V131 PolarHBondContact O-N 3.48Å; V127-L188 HydrophobicContact CG1-CD2 3.27Å; V127-L188 HydrophobicContact CG1-CG 4.16Å
128	C	76.1	Confident	78.5	Confident	25 Å²	25	62.8 Å²	62.8	17%	0.169	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-46.3	177.9	-64.4	0	0	0	0	111.7	V124 M125 K126 D130 V131 V132 L168	V124-C128 PolarHBondContact O-N 3.2Å; V124-C128 PolarHBondContact O-SG 3.26Å; M125-C128 PolarHBondContact O-N 3.12Å; K126-C128 VanDerWaalsContact C-N 3.34Å; K126-C128 PolarHBondContact O-N 3.2Å; C128-D130 PolarHBondContact O-N 2.83Å; C128-V131 PolarHBondContact O-N 3.04Å; C128-V132 WeakPolarHBondContact O-CG2 3.39Å; C128-V132 PolarHBondContact O-N 3.35Å; C128-L168 WeakPolarHBondContact SG-CD2 3.46Å
129	E	83.3	Confident	79.8	Confident	117 Å²	117	57.7 Å²	57.7	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-47.9	176.6	-71.5	171.3	-175	0	0	111.9	M125 K126 V131 V132 A133	M125-E129 WeakPolarHBondContact O-CG 3.42Å; M125-E129 PolarHBondContact O-N 2.93Å; K126-E129 IonicContact NZ-OE2 3.83Å; K126-E129 PolarHBondContact O-N 2.9Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 3.18Å; E129-V132 PolarHBondContact O-N 3.48Å; E129-A133 PolarHBondContact O-N 3.27Å
130	D	88.1	Confident	80.8	Confident	10 Å²	10	56.3 Å²	56.3	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-36.8	-178.7	-66.2	-16.3	0	0	0	111.3	Y115 K126 V127 C128 A133 A134 L195 W198	Y115-D130 WeakPolarHBondContact CE2-OD2 3.49Å; Y115-D130 WeakPolarHBondContact OH-CB 3.44Å; Y115-D130 PolarHBondContact OH-OD2 3.46Å; K126-D130 WeakPolarHBondContact CE-OD1 3.29Å; K126-D130 IonicContact NZ-OD1 2.74Å; K126-D130 PolarHBondContact NZ-OD1 2.74Å; K126-D130 WeakPolarHBondContact O-CB 3.36Å; K126-D130 PolarHBondContact O-N 3.32Å; V127-D130 PolarHBondContact O-N 2.58Å; C128-D130 PolarHBondContact O-N 2.83Å; D130-A133 PolarHBondContact O-N 2.92Å; D130-A134 WeakPolarHBondContact O-CB 3.45Å; D130-A134 PolarHBondContact O-N 3.47Å; D130-L195 HydrophobicContact CB-CD1 4.32Å; D130-W198 HydrophobicContact CB-CH2 4.16Å; D130-W198 HydrophobicContact CB-CZ3 4.05Å
131	V	85.9	Confident	81.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-38.8	174.7	170.3	0	0	0	0	111.8	V127 C128 E129 A134 L135 V161 L187	V127-V131 HydrophobicContact CG1-CG2 4.41Å; V127-V131 WeakPolarHBondContact O-CB 3.4Å; V127-V131 VanDerWaalsContact O-CG2 3.25Å; V127-V131 WeakPolarHBondContact O-CG2 3.38Å; V127-V131 PolarHBondContact O-N 3.48Å; C128-V131 PolarHBondContact O-N 3.04Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 3.18Å; V131-A134 PolarHBondContact O-N 3.26Å; V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 3.31Å; V131-V161 HydrophobicContact CG1-CG1 3.69Å; V131-L187 HydrophobicContact CG1-CD1 4.08Å; V131-L187 HydrophobicContact CG1-CD2 4.48Å; V131-L187 HydrophobicContact CG1-CG 4.45Å
132	V	85.1	Confident	82.6	Confident	59 Å²	59	51.5 Å²	51.5	36%	0.358	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-46.9	174.9	171.6	0	0	0	0	110.6	C128 E129 A134 L135 E136	C128-V132 WeakPolarHBondContact O-CG2 3.39Å; C128-V132 PolarHBondContact O-N 3.35Å; E129-V132 PolarHBondContact O-N 3.48Å; V132-A134 VanDerWaalsContact C-N 3.31Å; V132-A134 PolarHBondContact O-N 2.96Å; V132-L135 WeakPolarHBondContact O-CB 3.36Å; V132-L135 PolarHBondContact O-N 3.29Å; V132-L135 VanDerWaalsContact O-N 3.16Å; V132-E136 PolarHBondContact O-N 3.42Å
133	A	87.5	Confident	83.1	Confident	33 Å²	33	56.6 Å²	56.6	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-40.8	176	0	0	0	0	0	111.9	E129 D130 L135 E136 H137 W198	E129-A133 PolarHBondContact O-N 3.27Å; D130-A133 PolarHBondContact O-N 2.92Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 2.85Å; A133-E136 PolarHBondContact O-N 3.33Å; A133-H137 PolarHBondContact O-N 2.79Å; A133-W198 HydrophobicContact CB-CZ2 4.12Å
134	A	89.3	Confident	83.4	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-39.3	175.7	0	0	0	0	0	111.9	D130 V131 V132 H137 F138 V194 L195 W198	D130-A134 WeakPolarHBondContact O-CB 3.45Å; D130-A134 PolarHBondContact O-N 3.47Å; V131-A134 PolarHBondContact O-N 3.26Å; V132-A134 VanDerWaalsContact C-N 3.31Å; V132-A134 PolarHBondContact O-N 2.96Å; A134-H137 PolarHBondContact O-N 3.38Å; A134-F138 VanDerWaalsContact O-CB 3.3Å; A134-F138 WeakPolarHBondContact O-CB 3.34Å; A134-F138 PolarHBondContact O-N 3.4Å; A134-V194 VanDerWaalsContact C-CG1 3.48Å; A134-V194 HydrophobicContact CB-CG1 3.78Å; A134-V194 WeakPolarHBondContact O-CG1 3.27Å; A134-L195 HydrophobicContact CB-CD1 4.45Å; A134-W198 HydrophobicContact CB-CB 3.46Å; A134-W198 VanDerWaalsContact CB-CB 3.46Å; A134-W198 HydrophobicContact CB-CD2 4.23Å; A134-W198 HydrophobicContact CB-CG 3.67Å
135	L	86.9	Confident	83.8	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-40.3	174.7	-81.9	172.6	0	0	0	112.9	V131 V132 A133 F138 K139 V161 Q162 V194	V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 3.31Å; V132-L135 WeakPolarHBondContact O-CB 3.36Å; V132-L135 PolarHBondContact O-N 3.29Å; V132-L135 VanDerWaalsContact O-N 3.16Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 2.85Å; L135-F138 PolarHBondContact O-N 3.19Å; L135-K139 WeakPolarHBondContact O-CG 3.42Å; L135-K139 PolarHBondContact O-N 2.95Å; L135-V161 HydrophobicContact CD1-CB 4.22Å; L135-V161 HydrophobicContact CD1-CG1 3.67Å; L135-V161 HydrophobicContact CD2-CB 3.87Å; L135-V161 HydrophobicContact CD2-CG1 3.91Å; L135-V161 HydrophobicContact CD2-CG2 4.49Å; L135-V161 HydrophobicContact CG-CB 4.4Å; L135-V161 HydrophobicContact CG-CG1 3.91Å; L135-Q162 HydrophobicContact CD1-CG 4.11Å; L135-V194 HydrophobicContact CD2-CG1 4.14Å; L135-V194 HydrophobicContact CG-CG1 4.31Å
136	E	86.3	Confident	84	Confident	121 Å²	121	58.5 Å²	58.5	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-63	-44.6	176	-72.8	-179.8	175	0	0	111.5	V132 A133 F138 K139 T140	V132-E136 PolarHBondContact O-N 3.42Å; A133-E136 PolarHBondContact O-N 3.33Å; E136-F138 VanDerWaalsContact C-N 3.35Å; E136-F138 PolarHBondContact O-N 2.92Å; E136-K139 PolarHBondContact O-N 3.2Å; E136-T140 PolarHBondContact O-N 3.5Å
137	H	85.5	Confident	83.7	Confident	56 Å²	56	55.9 Å²	55.9	26%	0.259	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-47	173.3	-178	77.3	0	0	0	111.5	A133 A134 K139 T140 H201	A133-H137 PolarHBondContact O-N 2.79Å; A134-H137 PolarHBondContact O-N 3.38Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact O-N 2.93Å; H137-T140 WeakPolarHBondContact O-CB 3.36Å; H137-T140 PolarHBondContact O-N 2.92Å; H137-H201 AromaticContact CE1-CD2 3.69Å; H137-H201 AromaticContact CE1-CE1 3.9Å; H137-H201 AromaticContact CE1-CG 3.64Å; H137-H201 AromaticContact CE1-ND1 3.78Å; H137-H201 AromaticContact CE1-NE2 3.85Å; H137-H201 AromaticContact NE2-CG 3.94Å
138	F	85.8	Confident	83.7	Confident	5 Å²	5	60.2 Å²	60.2	2%	0.022	32%	0.315	C	S	.	.	H	α-helix	trans	-67.8	-29.8	-178.2	-161.7	-94.3	0	0	0	113.3	A134 L135 E136 T140 K141 F142 F154 M157 I158 V194 E197	A134-F138 VanDerWaalsContact O-CB 3.3Å; A134-F138 WeakPolarHBondContact O-CB 3.34Å; A134-F138 PolarHBondContact O-N 3.4Å; L135-F138 PolarHBondContact O-N 3.19Å; E136-F138 VanDerWaalsContact C-N 3.35Å; E136-F138 PolarHBondContact O-N 2.92Å; F138-T140 VanDerWaalsContact C-N 3.31Å; F138-T140 PolarHBondContact O-N 3.14Å; F138-K141 WeakPolarHBondContact O-CB 3.34Å; F138-K141 PolarHBondContact O-N 2.95Å; F138-F142 PolarHBondContact O-N 2.87Å; F138-F154 HydrophobicContact CE1-CB 4.02Å; F138-F154 AromaticContact CE1-CD1 3.8Å; F138-F154 HydrophobicContact CE1-CD1 3.8Å; F138-F154 HydrophobicContact CE1-CG 4.01Å; F138-F154 AromaticContact CZ-CD1 3.52Å; F138-F154 HydrophobicContact CZ-CD1 3.52Å; F138-F154 AromaticContact CZ-CE1 3.87Å; F138-F154 HydrophobicContact CZ-CE1 3.87Å; F138-F154 HydrophobicContact CZ-CG 4.16Å; F138-M157 HydrophobicContact CZ-CE 4.27Å; F138-M157 HydrophobicContact CZ-SD 4.44Å; F138-I158 HydrophobicContact CD1-CD1 4.13Å; F138-I158 HydrophobicContact CD1-CG1 3.88Å; F138-I158 HydrophobicContact CE1-CG1 4.31Å; F138-V194 HydrophobicContact CB-CG1 3.88Å; F138-V194 HydrophobicContact CD1-CG2 4.19Å; F138-V194 HydrophobicContact CD2-CG1 4.46Å; F138-V194 HydrophobicContact CD2-CG2 4.16Å; F138-V194 HydrophobicContact CE1-CG2 4.4Å; F138-V194 HydrophobicContact CE2-CG2 4.36Å; F138-V194 HydrophobicContact CG-CG1 4.21Å; F138-V194 HydrophobicContact CG-CG2 4.06Å; F138-V194 HydrophobicContact CZ-CG2 4.48Å; F138-E197 VanDerWaalsContact CE2-OE2 3.25Å; F138-E197 WeakPolarHBondContact CE2-OE2 3.48Å
139	K	86.3	Confident	83.6	Confident	77 Å²	77	62.9 Å²	62.9	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-38.2	172.7	-79.7	172.8	-175.3	174.7	0	112.4	L135 E136 H137 K141 F142 E143 I158	L135-K139 WeakPolarHBondContact O-CG 3.42Å; L135-K139 PolarHBondContact O-N 2.95Å; E136-K139 PolarHBondContact O-N 3.2Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact O-N 2.93Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 3.49Å; K139-F142 WeakPolarHBondContact O-CB 3.48Å; K139-F142 PolarHBondContact O-N 3.35Å; K139-F142 VanDerWaalsContact O-N 3.1Å; K139-E143 WeakPolarHBondContact O-CG 3.45Å; K139-E143 PolarHBondContact O-N 3.26Å; K139-I158 HydrophobicContact CG-CD1 4.13Å
140	T	84	Confident	83.3	Confident	82 Å²	82	59.8 Å²	59.8	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-40.8	176.5	-53.7	0	0	0	0	110.9	E136 H137 F138 E143 T144	E136-T140 PolarHBondContact O-N 3.5Å; H137-T140 WeakPolarHBondContact O-CB 3.36Å; H137-T140 PolarHBondContact O-N 2.92Å; F138-T140 VanDerWaalsContact C-N 3.31Å; F138-T140 PolarHBondContact O-N 3.14Å; T140-E143 PolarHBondContact O-N 2.74Å; T140-T144 WeakPolarHBondContact O-CG2 3.41Å; T140-T144 PolarHBondContact O-N 2.93Å; T140-T144 PolarHBondContact O-OG1 3.1Å; T140-T144 VanDerWaalsContact O-OG1 3.14Å
141	K	81.3	Confident	83.1	Confident	57 Å²	57	62.6 Å²	62.6	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-38	174.5	-175.5	179.4	177.2	-179.5	0	112.7	F138 K139 E143 T144 E145 F154 E197	F138-K141 WeakPolarHBondContact O-CB 3.34Å; F138-K141 PolarHBondContact O-N 2.95Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 3.49Å; K141-E143 VanDerWaalsContact C-N 3.34Å; K141-T144 PolarHBondContact O-OG1 3.27Å; K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 PolarHBondContact O-N 2.68Å; K141-E145 VanDerWaalsContact O-N 3.13Å; K141-F154 HydrophobicContact CD-CZ 4.5Å; K141-F154 HydrophobicContact CG-CE2 4.31Å; K141-E197 WeakPolarHBondContact CD-OE1 3.28Å; K141-E197 IonicContact NZ-OE1 3.61Å; K141-E197 PolarHBondContact NZ-OE1 3.47Å; K141-E197 IonicContact NZ-OE2 3.47Å; K141-E197 PolarHBondContact NZ-OE2 3.32Å
142	F	85.8	Confident	82.9	Confident	50 Å²	50	69.3 Å²	69.3	22%	0.219	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-39.4	173.5	164.6	-100.4	0	0	0	112.6	F138 K139 K151 F154 E155 I158	F138-F142 PolarHBondContact O-N 2.87Å; K139-F142 WeakPolarHBondContact O-CB 3.48Å; K139-F142 PolarHBondContact O-N 3.35Å; K139-F142 VanDerWaalsContact O-N 3.1Å; F142-K151 HydrophobicContact CD2-CG 3.84Å; F142-K151 HydrophobicContact CE2-CD 4.45Å; F142-K151 HydrophobicContact CE2-CG 3.46Å; F142-K151 VanDerWaalsContact CE2-CG 3.46Å; F142-K151 VanDerWaalsContact CE2-O 3.31Å; F142-K151 WeakPolarHBondContact CE2-O 3.39Å; F142-K151 HydrophobicContact CZ-CG 4.2Å; F142-K151 WeakPolarHBondContact O-CE 3.22Å; F142-F154 HydrophobicContact CB-CB 4.22Å; F142-F154 HydrophobicContact CD2-CB 3.75Å; F142-F154 HydrophobicContact CG-CB 4.45Å; F142-E155 HydrophobicContact CE2-CB 3.82Å; F142-E155 HydrophobicContact CE2-CG 4.46Å; F142-E155 HydrophobicContact CZ-CB 4.34Å; F142-I158 HydrophobicContact CB-CD1 3.84Å; F142-I158 HydrophobicContact CD1-CD1 4.4Å; F142-I158 HydrophobicContact CD2-CD1 4.46Å; F142-I158 HydrophobicContact CG-CD1 3.98Å
143	E	85.6	Confident	82.8	Confident	134 Å²	134	68 Å²	68	63%	0.626	34%	0.344	S	S	*	.	H	α-helix	trans	-67.4	-39.8	180	-73.2	173.1	-178.1	0	0	112	K139 T140 K141 K151	K139-E143 WeakPolarHBondContact O-CG 3.45Å; K139-E143 PolarHBondContact O-N 3.26Å; T140-E143 PolarHBondContact O-N 2.74Å; K141-E143 VanDerWaalsContact C-N 3.34Å; E143-K151 PolarHBondContact O-NZ 3.33Å
144	T	82.1	Confident	82.7	Confident	101 Å²	101	67.1 Å²	67.1	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-83.3	-10.3	-179.4	57.6	0	0	0	0	114.7	T140 K141	T140-T144 WeakPolarHBondContact O-CG2 3.41Å; T140-T144 PolarHBondContact O-N 2.93Å; T140-T144 PolarHBondContact O-OG1 3.1Å; T140-T144 VanDerWaalsContact O-OG1 3.14Å; K141-T144 PolarHBondContact O-OG1 3.27Å
145	E	81.4	Confident	82.6	Confident	36 Å²	36	71 Å²	71	17%	0.168	35%	0.352	C	S	.	.			trans	-70.9	130.1	176.5	-177.2	59.2	-94.9	0	0	111.5	K141 D147 K150 K151 F154	K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 PolarHBondContact O-N 2.68Å; K141-E145 VanDerWaalsContact O-N 3.13Å; E145-D147 WeakPolarHBondContact OE1-CB 3.44Å; E145-D147 PolarHBondContact OE1-N 3.32Å; E145-K150 HydrophobicContact CG-CB 3.79Å; E145-K150 WeakPolarHBondContact OE2-CD 3.48Å; E145-K151 HydrophobicContact CG-CB 4.22Å; E145-K151 PolarHBondContact O-NZ 3.11Å; E145-F154 HydrophobicContact CB-CD2 4.15Å; E145-F154 HydrophobicContact CB-CE2 4.01Å; E145-F154 HydrophobicContact CG-CD2 4.18Å; E145-F154 HydrophobicContact CG-CE2 3.87Å
146	M	77.1	Confident	82.6	Confident	164 Å²	164	73.9 Å²	73.9	81%	0.808	37%	0.37	S	S	*	.			trans	-105.7	-21.2	-176.8	-61.8	-58.2	-66.9	0	0	112.2	P148	M146-P148 WeakPolarHBondContact O-CD 3.47Å
147	D	76.1	Confident	82.5	Confident	32 Å²	32	69.2 Å²	69.2	17%	0.171	35%	0.348	C	S	.	.			trans	-75.5	119.4	176	-173.9	-73.2	0	0	0	110.3	E145 D149 K150 K151 K302	E145-D147 WeakPolarHBondContact OE1-CB 3.44Å; E145-D147 PolarHBondContact OE1-N 3.32Å; D147-D149 VanDerWaalsContact C-N 3.3Å; D147-D149 PolarHBondContact O-N 2.88Å; D147-D149 PolarHBondContact OD1-N 2.81Å; D147-D149 VanDerWaalsContact OD1-N 3.09Å; D147-K150 HydrophobicContact CB-CB 4.08Å; D147-K150 HydrophobicContact CB-CD 4.04Å; D147-K150 HydrophobicContact CB-CG 4.09Å; D147-K150 PolarHBondContact O-N 2.85Å; D147-K150 PolarHBondContact OD1-N 3.22Å; D147-K151 WeakPolarHBondContact O-CB 3.23Å; D147-K151 PolarHBondContact O-N 3.42Å; D147-K302 IonicContact OD2-NZ 2.84Å; D147-K302 PolarHBondContact OD2-NZ 2.91Å
148	P	77.4	Confident	82.7	Confident	96 Å²	96	67.2 Å²	67.2	62%	0.623	34%	0.339	S	S	*	.	H	α-helix	trans	-64.9	-32.6	-172.5	23.6	-32.1	0	0	0	113.1	M146 K152	M146-P148 WeakPolarHBondContact O-CD 3.47Å; P148-K152 WeakPolarHBondContact O-CB 3.41Å; P148-K152 PolarHBondContact O-N 3.09Å; P148-K152 VanDerWaalsContact O-N 3.1Å
149	D	74.9	Confident	82.8	Confident	81 Å²	81	72.5 Å²	72.5	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-74.1	-43.2	179.9	-68.2	-35.3	0	0	0	110.8	D147 K152 M153 L418	D147-D149 VanDerWaalsContact C-N 3.3Å; D147-D149 PolarHBondContact O-N 2.88Å; D147-D149 PolarHBondContact OD1-N 2.81Å; D147-D149 VanDerWaalsContact OD1-N 3.09Å; D149-K152 PolarHBondContact O-N 3.03Å; D149-M153 PolarHBondContact O-N 3.26Å; D149-L418 HydrophobicContact CB-CD2 3.63Å
150	K	77.9	Confident	82.9	Confident	52 Å²	52	73.7 Å²	73.7	23%	0.226	37%	0.367	C	S	.	.	H	α-helix	trans	-63.3	-41.9	173.4	-68.5	-175.8	-177.1	174.6	0	111.9	E145 D147 K152 M153 F154 L418	E145-K150 HydrophobicContact CG-CB 3.79Å; E145-K150 WeakPolarHBondContact OE2-CD 3.48Å; D147-K150 HydrophobicContact CB-CB 4.08Å; D147-K150 HydrophobicContact CB-CD 4.04Å; D147-K150 HydrophobicContact CB-CG 4.09Å; D147-K150 PolarHBondContact O-N 2.85Å; D147-K150 PolarHBondContact OD1-N 3.22Å; K150-K152 PolarHBondContact O-N 2.84Å; K150-M153 WeakPolarHBondContact O-CB 3.45Å; K150-M153 PolarHBondContact O-N 2.94Å; K150-M153 VanDerWaalsContact O-N 3.16Å; K150-F154 HydrophobicContact CB-CE2 4.43Å; K150-F154 WeakPolarHBondContact O-CG 3.38Å; K150-F154 PolarHBondContact O-N 3.45Å; K150-L418 HydrophobicContact CG-CD2 4.37Å
151	K	83.2	Confident	83.1	Confident	69 Å²	69	69.8 Å²	69.8	30%	0.3	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-45.4	178.4	-165.2	166.2	-158.6	140	0	111.4	F142 E143 E145 D147 M153 F154 E155	F142-K151 HydrophobicContact CD2-CG 3.84Å; F142-K151 HydrophobicContact CE2-CD 4.45Å; F142-K151 HydrophobicContact CE2-CG 3.46Å; F142-K151 VanDerWaalsContact CE2-CG 3.46Å; F142-K151 VanDerWaalsContact CE2-O 3.31Å; F142-K151 WeakPolarHBondContact CE2-O 3.39Å; F142-K151 HydrophobicContact CZ-CG 4.2Å; F142-K151 WeakPolarHBondContact O-CE 3.22Å; E143-K151 PolarHBondContact O-NZ 3.33Å; E145-K151 HydrophobicContact CG-CB 4.22Å; E145-K151 PolarHBondContact O-NZ 3.11Å; D147-K151 WeakPolarHBondContact O-CB 3.23Å; D147-K151 PolarHBondContact O-N 3.42Å; K151-M153 VanDerWaalsContact C-N 3.34Å; K151-M153 PolarHBondContact O-N 3.19Å; K151-F154 PolarHBondContact O-N 3.19Å; K151-E155 PolarHBondContact O-N 3.45Å
152	K	82	Confident	83.4	Confident	141 Å²	141	70.7 Å²	70.7	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-40.6	174.2	-174.7	175.7	176.4	178.9	0	112.4	P148 D149 K150 E155 V156	P148-K152 WeakPolarHBondContact O-CB 3.41Å; P148-K152 PolarHBondContact O-N 3.09Å; P148-K152 VanDerWaalsContact O-N 3.1Å; D149-K152 PolarHBondContact O-N 3.03Å; K150-K152 PolarHBondContact O-N 2.84Å; K152-E155 PolarHBondContact O-N 3.34Å; K152-V156 WeakPolarHBondContact O-CG2 3.43Å; K152-V156 PolarHBondContact O-N 3.32Å; K152-V156 VanDerWaalsContact O-N 3.11Å
153	M	82.9	Confident	83.5	Confident	32 Å²	32	74.5 Å²	74.5	16%	0.158	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-48.5	175.1	-178.6	-171.4	71.5	0	0	111.5	D149 K150 K151 E155 V156 M157 K419	D149-M153 PolarHBondContact O-N 3.26Å; K150-M153 WeakPolarHBondContact O-CB 3.45Å; K150-M153 PolarHBondContact O-N 2.94Å; K150-M153 VanDerWaalsContact O-N 3.16Å; K151-M153 VanDerWaalsContact C-N 3.34Å; K151-M153 PolarHBondContact O-N 3.19Å; M153-E155 VanDerWaalsContact C-N 3.34Å; M153-E155 PolarHBondContact O-N 3.42Å; M153-V156 PolarHBondContact O-N 3.25Å; M153-M157 HydrophobicContact CG-SD 4.32Å; M153-M157 WeakPolarHBondContact O-CG 3.43Å; M153-M157 PolarHBondContact O-N 3.4Å; M153-K419 HydrophobicContact SD-CB 4.06Å; M153-K419 HydrophobicContact SD-CD 3.87Å; M153-K419 HydrophobicContact SD-CG 3.8Å
154	F	85.8	Confident	83.6	Confident	14 Å²	14	69.9 Å²	69.9	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-41.1	177.5	-66.9	-21.6	0	0	0	112.1	F138 K141 F142 E145 K150 K151 V156 M157 I158	F138-F154 HydrophobicContact CE1-CB 4.02Å; F138-F154 AromaticContact CE1-CD1 3.8Å; F138-F154 HydrophobicContact CE1-CD1 3.8Å; F138-F154 HydrophobicContact CE1-CG 4.01Å; F138-F154 AromaticContact CZ-CD1 3.52Å; F138-F154 HydrophobicContact CZ-CD1 3.52Å; F138-F154 AromaticContact CZ-CE1 3.87Å; F138-F154 HydrophobicContact CZ-CE1 3.87Å; F138-F154 HydrophobicContact CZ-CG 4.16Å; K141-F154 HydrophobicContact CD-CZ 4.5Å; K141-F154 HydrophobicContact CG-CE2 4.31Å; F142-F154 HydrophobicContact CB-CB 4.22Å; F142-F154 HydrophobicContact CD2-CB 3.75Å; F142-F154 HydrophobicContact CG-CB 4.45Å; E145-F154 HydrophobicContact CB-CD2 4.15Å; E145-F154 HydrophobicContact CB-CE2 4.01Å; E145-F154 HydrophobicContact CG-CD2 4.18Å; E145-F154 HydrophobicContact CG-CE2 3.87Å; K150-F154 HydrophobicContact CB-CE2 4.43Å; K150-F154 WeakPolarHBondContact O-CG 3.38Å; K150-F154 PolarHBondContact O-N 3.45Å; K151-F154 PolarHBondContact O-N 3.19Å; F154-V156 VanDerWaalsContact C-N 3.33Å; F154-V156 PolarHBondContact O-N 3.49Å; F154-M157 PolarHBondContact O-N 3.33Å; F154-I158 VanDerWaalsContact O-CG1 3.3Å; F154-I158 WeakPolarHBondContact O-CG1 3.35Å; F154-I158 PolarHBondContact O-N 2.75Å
155	E	86.8	Confident	83.7	Confident	80 Å²	80	65.6 Å²	65.6	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-57.5	-45.8	174.8	-168.4	-170.2	174.1	0	0	111.8	F142 K151 K152 M153 I158 K159	F142-E155 HydrophobicContact CE2-CB 3.82Å; F142-E155 HydrophobicContact CE2-CG 4.46Å; F142-E155 HydrophobicContact CZ-CB 4.34Å; K151-E155 PolarHBondContact O-N 3.45Å; K152-E155 PolarHBondContact O-N 3.34Å; M153-E155 VanDerWaalsContact C-N 3.34Å; M153-E155 PolarHBondContact O-N 3.42Å; E155-I158 PolarHBondContact O-N 3.08Å; E155-K159 HydrophobicContact CG-CD 4.49Å; E155-K159 WeakPolarHBondContact O-CG 3.29Å; E155-K159 PolarHBondContact O-N 3.07Å; E155-K159 VanDerWaalsContact OE1-CE 3.31Å; E155-K159 WeakPolarHBondContact OE1-CE 2.96Å; E155-K159 IonicContact OE1-NZ 2.87Å; E155-K159 PolarHBondContact OE1-NZ 2.93Å
156	V	85.9	Confident	83.9	Confident	71 Å²	71	66.8 Å²	66.8	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-42.8	177.5	171.8	0	0	0	0	111.1	K152 M153 F154 K159 K160	K152-V156 WeakPolarHBondContact O-CG2 3.43Å; K152-V156 PolarHBondContact O-N 3.32Å; K152-V156 VanDerWaalsContact O-N 3.11Å; M153-V156 PolarHBondContact O-N 3.25Å; F154-V156 VanDerWaalsContact C-N 3.33Å; F154-V156 PolarHBondContact O-N 3.49Å; V156-K159 PolarHBondContact O-N 3.16Å; V156-K160 HydrophobicContact CG1-CD 4.45Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3.28Å
157	M	85.4	Confident	84.3	Confident	24 Å²	24	60.6 Å²	60.6	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-48.5	177.8	-71	179.5	65.3	0	0	111.5	F138 M153 F154 K159 K160 V161 D193 V194 K419	F138-M157 HydrophobicContact CZ-CE 4.27Å; F138-M157 HydrophobicContact CZ-SD 4.44Å; M153-M157 HydrophobicContact CG-SD 4.32Å; M153-M157 WeakPolarHBondContact O-CG 3.43Å; M153-M157 PolarHBondContact O-N 3.4Å; F154-M157 PolarHBondContact O-N 3.33Å; M157-K159 VanDerWaalsContact C-N 3.33Å; M157-K159 PolarHBondContact O-N 3.04Å; M157-K160 PolarHBondContact O-N 3.11Å; M157-V161 WeakPolarHBondContact O-CG2 3.34Å; M157-V161 PolarHBondContact O-N 2.83Å; M157-D193 HydrophobicContact CE-CB 3.44Å; M157-D193 VanDerWaalsContact CE-CB 3.44Å; M157-V194 HydrophobicContact CE-CG2 4.41Å; M157-K419 PolarHBondContact SD-NZ 3.22Å
158	I	88.2	Confident	84.6	Confident	13 Å²	13	59.1 Å²	59.1	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-47.8	178.2	-69.5	164.9	0	0	0	110.3	F138 K139 F142 F154 E155 K160 V161 Q162	F138-I158 HydrophobicContact CD1-CD1 4.13Å; F138-I158 HydrophobicContact CD1-CG1 3.88Å; F138-I158 HydrophobicContact CE1-CG1 4.31Å; K139-I158 HydrophobicContact CG-CD1 4.13Å; F142-I158 HydrophobicContact CB-CD1 3.84Å; F142-I158 HydrophobicContact CD1-CD1 4.4Å; F142-I158 HydrophobicContact CD2-CD1 4.46Å; F142-I158 HydrophobicContact CG-CD1 3.98Å; F154-I158 VanDerWaalsContact O-CG1 3.3Å; F154-I158 WeakPolarHBondContact O-CG1 3.35Å; F154-I158 PolarHBondContact O-N 2.75Å; E155-I158 PolarHBondContact O-N 3.08Å; I158-K160 VanDerWaalsContact C-N 3.35Å; I158-K160 PolarHBondContact O-N 3.28Å; I158-V161 PolarHBondContact O-N 3.29Å; I158-Q162 HydrophobicContact CG2-CG 4.27Å; I158-Q162 WeakPolarHBondContact O-CB 3.5Å; I158-Q162 VanDerWaalsContact O-CG 3.25Å; I158-Q162 WeakPolarHBondContact O-CG 3.09Å; I158-Q162 PolarHBondContact O-N 2.83Å
159	K	88.4	Confident	84.8	Confident	116 Å²	116	59 Å²	59	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-42.6	178.9	-76	178.2	-175	169.8	0	112.5	E155 V156 M157 Q163	E155-K159 HydrophobicContact CG-CD 4.49Å; E155-K159 WeakPolarHBondContact O-CG 3.29Å; E155-K159 PolarHBondContact O-N 3.07Å; E155-K159 VanDerWaalsContact OE1-CE 3.31Å; E155-K159 WeakPolarHBondContact OE1-CE 2.96Å; E155-K159 IonicContact OE1-NZ 2.87Å; E155-K159 PolarHBondContact OE1-NZ 2.93Å; V156-K159 PolarHBondContact O-N 3.16Å; M157-K159 VanDerWaalsContact C-N 3.33Å; M157-K159 PolarHBondContact O-N 3.04Å; K159-Q163 WeakPolarHBondContact O-CB 3.46Å; K159-Q163 PolarHBondContact O-N 3.17Å
160	K	88.6	Confident	85.3	Confident	102 Å²	102	61.6 Å²	61.6	44%	0.443	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-48.6	178.8	-76.4	-175.8	176.1	-168.2	0	112.1	V156 M157 I158 Q163 Q164	V156-K160 HydrophobicContact CG1-CD 4.45Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3.28Å; M157-K160 PolarHBondContact O-N 3.11Å; I158-K160 VanDerWaalsContact C-N 3.35Å; I158-K160 PolarHBondContact O-N 3.28Å; K160-Q163 PolarHBondContact O-N 3.44Å; K160-Q164 WeakPolarHBondContact O-CG 3.38Å; K160-Q164 PolarHBondContact O-N 2.92Å
161	V	87.9	Confident	85.6	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-42.1	180	-176.7	0	0	0	0	110.5	V131 L135 M157 I158 Q163 Q164 S165 L187 E190 V194	V131-V161 HydrophobicContact CG1-CG1 3.69Å; L135-V161 HydrophobicContact CD1-CB 4.22Å; L135-V161 HydrophobicContact CD1-CG1 3.67Å; L135-V161 HydrophobicContact CD2-CB 3.87Å; L135-V161 HydrophobicContact CD2-CG1 3.91Å; L135-V161 HydrophobicContact CD2-CG2 4.49Å; L135-V161 HydrophobicContact CG-CB 4.4Å; L135-V161 HydrophobicContact CG-CG1 3.91Å; M157-V161 WeakPolarHBondContact O-CG2 3.34Å; M157-V161 PolarHBondContact O-N 2.83Å; I158-V161 PolarHBondContact O-N 3.29Å; V161-Q163 PolarHBondContact O-N 2.95Å; V161-Q164 PolarHBondContact O-N 2.84Å; V161-S165 WeakPolarHBondContact O-CB 3.35Å; V161-S165 PolarHBondContact O-N 2.72Å; V161-L187 HydrophobicContact CG1-CD1 4.06Å; V161-E190 WeakPolarHBondContact CG2-O 3.43Å; V161-V194 HydrophobicContact CG2-CG2 4.31Å
162	Q	87.6	Confident	85.5	Confident	76 Å²	76	60 Å²	60	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-45.5	174.7	-75.6	175.8	-24.5	0	0	112.1	L135 I158 Q164 S165 S166	L135-Q162 HydrophobicContact CD1-CG 4.11Å; I158-Q162 HydrophobicContact CG2-CG 4.27Å; I158-Q162 WeakPolarHBondContact O-CB 3.5Å; I158-Q162 VanDerWaalsContact O-CG 3.25Å; I158-Q162 WeakPolarHBondContact O-CG 3.09Å; I158-Q162 PolarHBondContact O-N 2.83Å; Q162-Q164 PolarHBondContact O-N 3.02Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 3.48Å; Q162-S166 PolarHBondContact O-N 2.87Å; Q162-S166 PolarHBondContact O-OG 3.35Å
163	Q	88.4	Confident	85.6	Confident	130 Å²	130	60.9 Å²	60.9	61%	0.607	30%	0.301	S	S	*	.	H	α-helix	trans	-60.4	-44.3	177.5	-174.8	-177.8	6.7	0	0	111.9	K159 K160 V161 S165 A167	K159-Q163 WeakPolarHBondContact O-CB 3.46Å; K159-Q163 PolarHBondContact O-N 3.17Å; K160-Q163 PolarHBondContact O-N 3.44Å; V161-Q163 PolarHBondContact O-N 2.95Å; Q163-S165 VanDerWaalsContact C-N 3.34Å; Q163-A167 WeakPolarHBondContact O-CB 3.27Å; Q163-A167 PolarHBondContact O-N 3.08Å
164	Q	88.1	Confident	85.6	Confident	36 Å²	36	62.8 Å²	62.8	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-69.6	-33	177.1	-62.7	-45.3	-56.9	0	0	112.4	K160 V161 Q162 A167 L168 L187 E190	K160-Q164 WeakPolarHBondContact O-CG 3.38Å; K160-Q164 PolarHBondContact O-N 2.92Å; V161-Q164 PolarHBondContact O-N 2.84Å; Q162-Q164 PolarHBondContact O-N 3.02Å; Q164-A167 PolarHBondContact O-N 2.76Å; Q164-L168 PolarHBondContact O-N 3.27Å; Q164-L187 HydrophobicContact CB-CB 4.18Å; Q164-L187 HydrophobicContact CB-CD1 3.77Å; Q164-E190 HydrophobicContact CG-CB 4.13Å; Q164-E190 HydrophobicContact CG-CG 3.84Å
165	S	84.4	Confident	85.3	Confident	11 Å²	11	70.8 Å²	70.8	8%	0.077	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-46.8	176.3	-166.4	0	0	0	0	110.7	V161 Q162 Q163 A167 L168 E169	V161-S165 WeakPolarHBondContact O-CB 3.35Å; V161-S165 PolarHBondContact O-N 2.72Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 3.48Å; Q163-S165 VanDerWaalsContact C-N 3.34Å; S165-A167 VanDerWaalsContact C-N 3.35Å; S165-A167 PolarHBondContact O-N 3.23Å; S165-L168 PolarHBondContact O-N 3.09Å; S165-E169 PolarHBondContact O-N 3.45Å
166	S	84.8	Confident	85	Confident	62 Å²	62	70.6 Å²	70.6	43%	0.434	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-40.5	174.9	-58.5	0	0	0	0	112.3	Q162 L168 E169 E170	Q162-S166 PolarHBondContact O-N 2.87Å; Q162-S166 PolarHBondContact O-OG 3.35Å; S166-L168 VanDerWaalsContact C-N 3.3Å; S166-L168 PolarHBondContact O-N 3Å; S166-E169 PolarHBondContact O-N 2.91Å; S166-E170 WeakPolarHBondContact O-CG 3.44Å; S166-E170 PolarHBondContact O-N 2.98Å
167	A	85.8	Confident	84.6	Confident	34 Å²	34	72 Å²	72	28%	0.281	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-36.2	176.8	0	0	0	0	0	112.6	Q163 Q164 S165 A171	Q163-A167 WeakPolarHBondContact O-CB 3.27Å; Q163-A167 PolarHBondContact O-N 3.08Å; Q164-A167 PolarHBondContact O-N 2.76Å; S165-A167 VanDerWaalsContact C-N 3.35Å; S165-A167 PolarHBondContact O-N 3.23Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.99Å; A167-A171 VanDerWaalsContact O-N 3.09Å
168	L	83.2	Confident	84.4	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-69.9	-43	174.6	179.2	57.9	0	0	0	111.9	C128 Q164 S165 S166 E170 A171 M172 T180 A183 K184 L187	C128-L168 WeakPolarHBondContact SG-CD2 3.46Å; Q164-L168 PolarHBondContact O-N 3.27Å; S165-L168 PolarHBondContact O-N 3.09Å; S166-L168 VanDerWaalsContact C-N 3.3Å; S166-L168 PolarHBondContact O-N 3Å; L168-E170 VanDerWaalsContact C-N 3.3Å; L168-E170 PolarHBondContact O-N 3.12Å; L168-A171 PolarHBondContact O-N 3.15Å; L168-M172 HydrophobicContact CD1-CG 4.22Å; L168-M172 HydrophobicContact CD1-SD 4.45Å; L168-M172 HydrophobicContact CG-CG 4.49Å; L168-M172 HydrophobicContact CG-SD 4.25Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.07Å; L168-T180 HydrophobicContact CD1-CG2 3.97Å; L168-T180 WeakPolarHBondContact CD1-O 3.24Å; L168-A183 HydrophobicContact CB-CB 4.19Å; L168-A183 HydrophobicContact CD1-CB 3.84Å; L168-K184 HydrophobicContact CD1-CB 4.13Å; L168-K184 HydrophobicContact CD2-CB 4.37Å; L168-L187 HydrophobicContact CB-CD2 4.49Å; L168-L187 HydrophobicContact CD2-CB 4.45Å; L168-L187 HydrophobicContact CD2-CD2 3.51Å
169	E	81.6	Confident	84.1	Confident	94 Å²	94	77.4 Å²	77.4	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-40.6	175	-74.4	178.8	-159	0	0	112.5	S165 S166 M172 K173	S165-E169 PolarHBondContact O-N 3.45Å; S166-E169 PolarHBondContact O-N 2.91Å; E169-M172 PolarHBondContact O-N 3.36Å; E169-K173 VanDerWaalsContact O-CG 3.27Å; E169-K173 WeakPolarHBondContact O-CG 3.22Å; E169-K173 PolarHBondContact O-N 2.96Å
170	E	84.6	Confident	83.6	Confident	135 Å²	135	73 Å²	73	63%	0.631	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-44.3	175.4	-73.9	177.4	-178.3	0	0	111.8	S166 L168 M172 K173 A174	S166-E170 WeakPolarHBondContact O-CG 3.44Å; S166-E170 PolarHBondContact O-N 2.98Å; L168-E170 VanDerWaalsContact C-N 3.3Å; L168-E170 PolarHBondContact O-N 3.12Å; E170-M172 PolarHBondContact O-N 3.39Å; E170-K173 PolarHBondContact O-N 3.26Å; E170-A174 WeakPolarHBondContact O-CB 3.3Å; E170-A174 PolarHBondContact O-N 2.89Å
171	A	83.6	Confident	83.2	Confident	14 Å²	14	73 Å²	73	12%	0.116	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-40.8	176.3	0	0	0	0	0	112.3	A167 L168 A174 Q175 A179 T180 A183	A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.99Å; A167-A171 VanDerWaalsContact O-N 3.09Å; L168-A171 PolarHBondContact O-N 3.15Å; A171-A174 PolarHBondContact O-N 3.28Å; A171-Q175 PolarHBondContact O-N 3.48Å; A171-A179 HydrophobicContact CB-CB 4.38Å; A171-T180 PolarHBondContact O-OG1 2.83Å; A171-A183 HydrophobicContact CB-CB 4.22Å
172	M	80.8	Confident	82.9	Confident	73 Å²	73	78.3 Å²	78.3	36%	0.36	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-40.2	175.2	-71.4	180	72.8	0	0	112	M125 L168 E169 E170 A174 Q175 T180	M125-M172 HydrophobicContact CG-CE 4.22Å; L168-M172 HydrophobicContact CD1-CG 4.22Å; L168-M172 HydrophobicContact CD1-SD 4.45Å; L168-M172 HydrophobicContact CG-CG 4.49Å; L168-M172 HydrophobicContact CG-SD 4.25Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.07Å; E169-M172 PolarHBondContact O-N 3.36Å; E170-M172 PolarHBondContact O-N 3.39Å; M172-A174 VanDerWaalsContact C-N 3.3Å; M172-A174 PolarHBondContact O-N 3.43Å; M172-Q175 PolarHBondContact O-N 2.79Å; M172-T180 HydrophobicContact CG-CG2 3.77Å
173	K	84.2	Confident	82.7	Confident	160 Å²	160	74.7 Å²	74.7	70%	0.696	40%	0.399	S	S	*	.	H	α-helix	trans	-65.5	-33.2	175	-74.7	168.9	-172	165.2	0	112.3	E169 E170 Q175	E169-K173 VanDerWaalsContact O-CG 3.27Å; E169-K173 WeakPolarHBondContact O-CG 3.22Å; E169-K173 PolarHBondContact O-N 2.96Å; E170-K173 PolarHBondContact O-N 3.26Å; K173-Q175 PolarHBondContact O-N 2.96Å
174	A	83.5	Confident	82.3	Confident	72 Å²	72	70.4 Å²	70.4	60%	0.595	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.6	177.3	0	0	0	0	0	113.9	E170 A171 M172 D176	E170-A174 WeakPolarHBondContact O-CB 3.3Å; E170-A174 PolarHBondContact O-N 2.89Å; A171-A174 PolarHBondContact O-N 3.28Å; M172-A174 VanDerWaalsContact C-N 3.3Å; M172-A174 PolarHBondContact O-N 3.43Å; A174-D176 PolarHBondContact O-N 2.99Å; A174-D176 VanDerWaalsContact O-N 3.16Å
175	Q	79.3	Confident	81.9	Confident	182 Å²	182	70.6 Å²	70.6	85%	0.85	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25.1	-177.1	-62.9	-174.9	-11.5	0	0	114.4	A171 M172 K173	A171-Q175 PolarHBondContact O-N 3.48Å; M172-Q175 PolarHBondContact O-N 2.79Å; K173-Q175 PolarHBondContact O-N 2.96Å
176	D	80.8	Confident	81.9	Confident	76 Å²	76	75.1 Å²	75.1	41%	0.406	41%	0.405	S	S	.	.			trans	-90.2	108.3	175.9	-176.2	-21.5	0	0	0	110	A174 I178 A179 T180	A174-D176 PolarHBondContact O-N 2.99Å; A174-D176 VanDerWaalsContact O-N 3.16Å; D176-I178 VanDerWaalsContact C-N 3.34Å; D176-I178 PolarHBondContact O-N 3.03Å; D176-I178 PolarHBondContact OD1-N 2.65Å; D176-A179 HydrophobicContact CB-CB 3.86Å; D176-A179 VanDerWaalsContact CG-CB 3.46Å; D176-A179 PolarHBondContact OD1-N 2.95Å; D176-T180 VanDerWaalsContact O-CB 3.23Å; D176-T180 WeakPolarHBondContact O-CB 3.46Å; D176-T180 PolarHBondContact O-N 2.96Å; D176-T180 PolarHBondContact O-OG1 3.38Å
177	S	77.5	Confident	81.9	Confident	100 Å²	100	72.1 Å²	72.1	70%	0.699	38%	0.384	S	S	*	.	H	α-helix	trans	-62.2	-38.1	-178.2	-173.8	0	0	0	0	113	E181	S177-E181 PolarHBondContact O-N 2.95Å
178	I	81.4	Confident	81.7	Confident	123 Å²	123	71.8 Å²	71.8	63%	0.631	38%	0.378	S	S	*	.	H	α-helix	trans	-74.7	-48.7	-177.8	-62.8	173.4	0	0	0	109.4	D176 T180 E181 E182	D176-I178 VanDerWaalsContact C-N 3.34Å; D176-I178 PolarHBondContact O-N 3.03Å; D176-I178 PolarHBondContact OD1-N 2.65Å; I178-T180 PolarHBondContact O-N 2.65Å; I178-E181 PolarHBondContact O-N 2.98Å; I178-E182 PolarHBondContact O-N 3.01Å
179	A	81.3	Confident	81.8	Confident	28 Å²	28	76.2 Å²	76.2	23%	0.231	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-34	178.7	0	0	0	0	0	112.2	A171 D176 A183	A171-A179 HydrophobicContact CB-CB 4.38Å; D176-A179 HydrophobicContact CB-CB 3.86Å; D176-A179 VanDerWaalsContact CG-CB 3.46Å; D176-A179 PolarHBondContact OD1-N 2.95Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.49Å
180	T	79.3	Confident	82	Confident	23 Å²	23	75.1 Å²	75.1	14%	0.141	40%	0.396	C	S	.	.	H	α-helix	trans	-65.5	-46.1	175.7	-61.5	0	0	0	0	111.5	L168 A171 M172 D176 I178 A183 K184	L168-T180 HydrophobicContact CD1-CG2 3.97Å; L168-T180 WeakPolarHBondContact CD1-O 3.24Å; A171-T180 PolarHBondContact O-OG1 2.83Å; M172-T180 HydrophobicContact CG-CG2 3.77Å; D176-T180 VanDerWaalsContact O-CB 3.23Å; D176-T180 WeakPolarHBondContact O-CB 3.46Å; D176-T180 PolarHBondContact O-N 2.96Å; D176-T180 PolarHBondContact O-OG1 3.38Å; I178-T180 PolarHBondContact O-N 2.65Å; T180-A183 PolarHBondContact O-N 3.03Å; T180-K184 VanDerWaalsContact O-CB 3.24Å; T180-K184 WeakPolarHBondContact O-CB 3.44Å; T180-K184 PolarHBondContact O-N 2.87Å
181	E	78.5	Confident	82.1	Confident	103 Å²	103	68.7 Å²	68.7	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-68.2	-37.9	179.9	-165.9	60.9	-153.1	0	0	111.7	S177 I178 K184 G185	S177-E181 PolarHBondContact O-N 2.95Å; I178-E181 PolarHBondContact O-N 2.98Å; E181-K184 PolarHBondContact O-N 3.48Å; E181-K184 IonicContact OE1-NZ 2.81Å; E181-K184 PolarHBondContact OE1-NZ 2.78Å; E181-K184 WeakPolarHBondContact OE2-CD 3.35Å; E181-K184 IonicContact OE2-NZ 3.67Å; E181-K184 PolarHBondContact OE2-NZ 3.17Å; E181-K184 VanDerWaalsContact OE2-NZ 3.15Å; E181-G185 PolarHBondContact O-N 2.72Å
182	E	83.1	Confident	82.3	Confident	111 Å²	111	74 Å²	74	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-43.8	173.2	-70.1	-173	173.9	0	0	112.8	I178 K184 G185 R186	I178-E182 PolarHBondContact O-N 3.01Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.47Å; E182-G185 PolarHBondContact O-N 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.3Å; E182-R186 PolarHBondContact O-N 3.5Å; E182-R186 IonicContact OE2-NH1 3.8Å; E182-R186 PolarHBondContact OE2-NH1 2.88Å
183	A	82.6	Confident	82.6	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.008	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-37.3	177.6	0	0	0	0	0	111.5	L168 A171 A179 T180 R186 L187	L168-A183 HydrophobicContact CB-CB 4.19Å; L168-A183 HydrophobicContact CD1-CB 3.84Å; A171-A183 HydrophobicContact CB-CB 4.22Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.49Å; T180-A183 PolarHBondContact O-N 3.03Å; A183-R186 PolarHBondContact O-N 3.13Å; A183-L187 WeakPolarHBondContact O-CB 3.41Å; A183-L187 PolarHBondContact O-N 3.06Å
184	K	79.9	Confident	82.9	Confident	39 Å²	39	66 Å²	66	17%	0.17	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-47.4	172.2	173.5	-164.6	170.5	-160.6	0	110.8	V124 L168 T180 E181 E182 R186 L187 L188	V124-K184 HydrophobicContact CG1-CD 4.14Å; V124-K184 HydrophobicContact CG1-CG 4.39Å; V124-K184 HydrophobicContact CG2-CD 3.72Å; L168-K184 HydrophobicContact CD1-CB 4.13Å; L168-K184 HydrophobicContact CD2-CB 4.37Å; T180-K184 VanDerWaalsContact O-CB 3.24Å; T180-K184 WeakPolarHBondContact O-CB 3.44Å; T180-K184 PolarHBondContact O-N 2.87Å; E181-K184 PolarHBondContact O-N 3.48Å; E181-K184 IonicContact OE1-NZ 2.81Å; E181-K184 PolarHBondContact OE1-NZ 2.78Å; E181-K184 WeakPolarHBondContact OE2-CD 3.35Å; E181-K184 IonicContact OE2-NZ 3.67Å; E181-K184 PolarHBondContact OE2-NZ 3.17Å; E181-K184 VanDerWaalsContact OE2-NZ 3.15Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.47Å; K184-R186 VanDerWaalsContact C-N 3.3Å; K184-R186 PolarHBondContact O-N 3.14Å; K184-L187 PolarHBondContact O-N 2.86Å; K184-L188 HydrophobicContact CG-CD1 4.04Å; K184-L188 HydrophobicContact CG-CG 4.39Å; K184-L188 WeakPolarHBondContact O-CB 3.35Å; K184-L188 VanDerWaalsContact O-CG 3.27Å; K184-L188 WeakPolarHBondContact O-CG 3.48Å; K184-L188 PolarHBondContact O-N 2.73Å
185	G	80.2	Confident	83.2	Confident	40 Å²	40	62.6 Å²	62.6	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-56.5	-43	175.2	0	0	0	0	0	112.7	E181 E182 N189	E181-G185 PolarHBondContact O-N 2.72Å; E182-G185 PolarHBondContact O-N 3.28Å; G185-N189 WeakPolarHBondContact O-CB 3.44Å; G185-N189 PolarHBondContact O-N 2.91Å
186	R	84.8	Confident	83.7	Confident	106 Å²	106	54 Å²	54	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-47.3	175.3	-70.7	-173.6	-66.2	-93.3	1.7	112.6	E182 A183 K184 L188 N189 E190	E182-R186 WeakPolarHBondContact O-CG 3.3Å; E182-R186 PolarHBondContact O-N 3.5Å; E182-R186 IonicContact OE2-NH1 3.8Å; E182-R186 PolarHBondContact OE2-NH1 2.88Å; A183-R186 PolarHBondContact O-N 3.13Å; K184-R186 VanDerWaalsContact C-N 3.3Å; K184-R186 PolarHBondContact O-N 3.14Å; R186-L188 PolarHBondContact O-N 3.01Å; R186-N189 PolarHBondContact O-N 3.26Å; R186-E190 WeakPolarHBondContact O-CG 3.45Å; R186-E190 PolarHBondContact O-N 3.34Å
187	L	84.1	Confident	84.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-48.6	177.8	178.1	61.3	0	0	0	110.8	V131 V161 Q164 L168 A183 K184 N189 E190 S191	V131-L187 HydrophobicContact CG1-CD1 4.08Å; V131-L187 HydrophobicContact CG1-CD2 4.48Å; V131-L187 HydrophobicContact CG1-CG 4.45Å; V161-L187 HydrophobicContact CG1-CD1 4.06Å; Q164-L187 HydrophobicContact CB-CB 4.18Å; Q164-L187 HydrophobicContact CB-CD1 3.77Å; L168-L187 HydrophobicContact CB-CD2 4.49Å; L168-L187 HydrophobicContact CD2-CB 4.45Å; L168-L187 HydrophobicContact CD2-CD2 3.51Å; A183-L187 WeakPolarHBondContact O-CB 3.41Å; A183-L187 PolarHBondContact O-N 3.06Å; K184-L187 PolarHBondContact O-N 2.86Å; L187-N189 VanDerWaalsContact C-N 3.28Å; L187-N189 PolarHBondContact O-N 2.81Å; L187-E190 PolarHBondContact O-N 2.96Å; L187-S191 WeakPolarHBondContact O-CB 3.39Å; L187-S191 PolarHBondContact O-N 3.36Å; L187-S191 PolarHBondContact O-OG 3.06Å
188	L	81.2	Confident	84.8	Confident	27 Å²	27	49 Å²	49	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-38	179.6	-73.4	-178.7	0	0	0	112.4	F116 V127 K184 R186 S191 R192	F116-L188 HydrophobicContact CD1-CD1 4.24Å; F116-L188 HydrophobicContact CE1-CB 4.32Å; F116-L188 HydrophobicContact CE1-CD1 3.68Å; F116-L188 HydrophobicContact CE1-CD2 3.4Å; F116-L188 HydrophobicContact CE1-CG 3.98Å; F116-L188 HydrophobicContact CZ-CB 4.26Å; F116-L188 HydrophobicContact CZ-CD1 4.43Å; F116-L188 HydrophobicContact CZ-CD2 3.69Å; F116-L188 HydrophobicContact CZ-CG 4.34Å; V127-L188 HydrophobicContact CG1-CD2 3.27Å; V127-L188 HydrophobicContact CG1-CG 4.16Å; K184-L188 HydrophobicContact CG-CD1 4.04Å; K184-L188 HydrophobicContact CG-CG 4.39Å; K184-L188 WeakPolarHBondContact O-CB 3.35Å; K184-L188 VanDerWaalsContact O-CG 3.27Å; K184-L188 WeakPolarHBondContact O-CG 3.48Å; K184-L188 PolarHBondContact O-N 2.73Å; R186-L188 PolarHBondContact O-N 3.01Å; L188-S191 PolarHBondContact O-OG 3.16Å; L188-R192 WeakPolarHBondContact O-CG 3.24Å; L188-R192 PolarHBondContact O-N 2.7Å
189	N	84.9	Confident	85.3	Confident	93 Å²	93	43.4 Å²	43.4	50%	0.497	21%	0.214	S	C	.	.	H	α-helix	trans	-69.3	-43.3	177	-173.2	65.3	0	0	0	112.7	G185 R186 L187 R192	G185-N189 WeakPolarHBondContact O-CB 3.44Å; G185-N189 PolarHBondContact O-N 2.91Å; R186-N189 PolarHBondContact O-N 3.26Å; L187-N189 VanDerWaalsContact C-N 3.28Å; L187-N189 PolarHBondContact O-N 2.81Å; N189-R192 WeakPolarHBondContact O-CG 3.49Å
190	E	87.1	Confident	85.8	Confident	72 Å²	72	42.8 Å²	42.8	34%	0.336	21%	0.207	S	C	.	.	H	α-helix	trans	-75.3	-26.1	179	-65	-61.1	139.8	0	0	112.6	V161 Q164 R186 L187	V161-E190 WeakPolarHBondContact CG2-O 3.43Å; Q164-E190 HydrophobicContact CG-CB 4.13Å; Q164-E190 HydrophobicContact CG-CG 3.84Å; R186-E190 WeakPolarHBondContact O-CG 3.45Å; R186-E190 PolarHBondContact O-N 3.34Å; L187-E190 PolarHBondContact O-N 2.96Å
191	S	86.3	Confident	86.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-88.3	-7.9	-178.8	74.3	0	0	0	0	114.3	L187 L188 D193 V194 L195	L187-S191 WeakPolarHBondContact O-CB 3.39Å; L187-S191 PolarHBondContact O-N 3.36Å; L187-S191 PolarHBondContact O-OG 3.06Å; L188-S191 PolarHBondContact O-OG 3.16Å; S191-D193 VanDerWaalsContact C-N 3.28Å; S191-D193 PolarHBondContact O-N 2.68Å; S191-D193 VanDerWaalsContact O-N 3.11Å; S191-V194 PolarHBondContact O-N 2.95Å; S191-L195 VanDerWaalsContact O-CB 3.27Å; S191-L195 WeakPolarHBondContact O-CB 3.41Å; S191-L195 PolarHBondContact O-N 3.4Å
192	R	87.9	Confident	86.8	Confident	125 Å²	125	45.6 Å²	45.6	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-47.9	-46.3	-173.7	-64.2	-179.2	76.8	155.2	2.3	113.7	L112 L188 N189 S196	L112-R192 HydrophobicContact CD2-CB 3.98Å; L112-R192 HydrophobicContact CD2-CG 4.26Å; L188-R192 WeakPolarHBondContact O-CG 3.24Å; L188-R192 PolarHBondContact O-N 2.7Å; N189-R192 WeakPolarHBondContact O-CG 3.49Å; R192-S196 WeakPolarHBondContact O-CB 3.31Å; R192-S196 PolarHBondContact O-N 2.89Å; R192-S196 PolarHBondContact O-OG 3.31Å
193	D	87	Confident	87.2	Confident	64 Å²	64	44.2 Å²	44.2	34%	0.342	21%	0.213	S	C	.	.	H	α-helix	trans	-68.4	-46.1	-177.2	-69.3	-33.2	0	0	0	111.6	M157 S191 S196 E197 K419	M157-D193 HydrophobicContact CE-CB 3.44Å; M157-D193 VanDerWaalsContact CE-CB 3.44Å; S191-D193 VanDerWaalsContact C-N 3.28Å; S191-D193 PolarHBondContact O-N 2.68Å; S191-D193 VanDerWaalsContact O-N 3.11Å; D193-S196 PolarHBondContact O-OG 2.85Å; D193-S196 VanDerWaalsContact O-OG 3.11Å; D193-E197 WeakPolarHBondContact O-CB 3.45Å; D193-E197 PolarHBondContact O-N 3.48Å; D193-E197 VanDerWaalsContact O-N 3.13Å; D193-K419 IonicContact OD2-NZ 3.45Å; D193-K419 PolarHBondContact OD2-NZ 3Å
194	V	89.4	Confident	87.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-45.4	179.3	175.1	0	0	0	0	110.5	A134 L135 F138 M157 V161 S191 W198	A134-V194 VanDerWaalsContact C-CG1 3.48Å; A134-V194 HydrophobicContact CB-CG1 3.78Å; A134-V194 WeakPolarHBondContact O-CG1 3.27Å; L135-V194 HydrophobicContact CD2-CG1 4.14Å; L135-V194 HydrophobicContact CG-CG1 4.31Å; F138-V194 HydrophobicContact CB-CG1 3.88Å; F138-V194 HydrophobicContact CD1-CG2 4.19Å; F138-V194 HydrophobicContact CD2-CG1 4.46Å; F138-V194 HydrophobicContact CD2-CG2 4.16Å; F138-V194 HydrophobicContact CE1-CG2 4.4Å; F138-V194 HydrophobicContact CE2-CG2 4.36Å; F138-V194 HydrophobicContact CG-CG1 4.21Å; F138-V194 HydrophobicContact CG-CG2 4.06Å; F138-V194 HydrophobicContact CZ-CG2 4.48Å; M157-V194 HydrophobicContact CE-CG2 4.41Å; V161-V194 HydrophobicContact CG2-CG2 4.31Å; S191-V194 PolarHBondContact O-N 2.95Å; V194-W198 PolarHBondContact O-N 2.76Å; V194-W198 VanDerWaalsContact O-N 3.11Å
195	L	89.5	Confident	87.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-44.5	179.6	-177	61.9	0	0	0	111.8	L112 Y115 F116 D130 A134 S191 E197 W198 L199	L112-L195 HydrophobicContact CD1-CB 4.45Å; L112-L195 HydrophobicContact CD1-CD2 3.95Å; L112-L195 HydrophobicContact CD1-CG 4.14Å; Y115-L195 HydrophobicContact CD1-CD2 4.16Å; Y115-L195 HydrophobicContact CE1-CD2 3.94Å; F116-L195 HydrophobicContact CZ-CD2 3.96Å; D130-L195 HydrophobicContact CB-CD1 4.32Å; A134-L195 HydrophobicContact CB-CD1 4.45Å; S191-L195 VanDerWaalsContact O-CB 3.27Å; S191-L195 WeakPolarHBondContact O-CB 3.41Å; S191-L195 PolarHBondContact O-N 3.4Å; L195-E197 VanDerWaalsContact C-N 3.33Å; L195-E197 PolarHBondContact O-N 3.27Å; L195-W198 HydrophobicContact CD1-CE3 4.16Å; L195-W198 PolarHBondContact O-N 2.9Å; L195-L199 HydrophobicContact CD1-CD1 4.47Å; L195-L199 HydrophobicContact CD1-CG 4.35Å; L195-L199 HydrophobicContact CG-CD1 4.05Å; L195-L199 HydrophobicContact CG-CG 4.38Å; L195-L199 WeakPolarHBondContact O-CB 3.49Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.36Å; L195-L199 PolarHBondContact O-N 3.43Å
196	S	91.3	Very high	88.4	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-36.2	178.8	63	0	0	0	0	112.5	R192 D193 D200	R192-S196 WeakPolarHBondContact O-CB 3.31Å; R192-S196 PolarHBondContact O-N 2.89Å; R192-S196 PolarHBondContact O-OG 3.31Å; D193-S196 PolarHBondContact O-OG 2.85Å; D193-S196 VanDerWaalsContact O-OG 3.11Å; S196-D200 WeakPolarHBondContact O-CB 3.28Å; S196-D200 PolarHBondContact O-N 3.42Å
197	E	89.1	Confident	88.6	Confident	30 Å²	30	46.3 Å²	46.3	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-43.8	173.1	-178.9	156.1	-158.1	0	0	112	K104 F138 K141 D193 L195 D200 H201	K104-E197 IonicContact NZ-OE1 3.15Å; F138-E197 VanDerWaalsContact CE2-OE2 3.25Å; F138-E197 WeakPolarHBondContact CE2-OE2 3.48Å; K141-E197 WeakPolarHBondContact CD-OE1 3.28Å; K141-E197 IonicContact NZ-OE1 3.61Å; K141-E197 PolarHBondContact NZ-OE1 3.47Å; K141-E197 IonicContact NZ-OE2 3.47Å; K141-E197 PolarHBondContact NZ-OE2 3.32Å; D193-E197 WeakPolarHBondContact O-CB 3.45Å; D193-E197 PolarHBondContact O-N 3.48Å; D193-E197 VanDerWaalsContact O-N 3.13Å; L195-E197 VanDerWaalsContact C-N 3.33Å; L195-E197 PolarHBondContact O-N 3.27Å; E197-D200 PolarHBondContact O-N 2.9Å; E197-H201 PolarHBondContact O-N 3.38Å
198	W	92.3	Very high	88.7	Confident	40 Å²	40	55.5 Å²	55.5	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-41.5	175.6	179.2	85.4	0	0	0	112.9	D130 A133 A134 V194 L195 H201 N202	D130-W198 HydrophobicContact CB-CH2 4.16Å; D130-W198 HydrophobicContact CB-CZ3 4.05Å; A133-W198 HydrophobicContact CB-CZ2 4.12Å; A134-W198 HydrophobicContact CB-CB 3.46Å; A134-W198 VanDerWaalsContact CB-CB 3.46Å; A134-W198 HydrophobicContact CB-CD2 4.23Å; A134-W198 HydrophobicContact CB-CG 3.67Å; V194-W198 PolarHBondContact O-N 2.76Å; V194-W198 VanDerWaalsContact O-N 3.11Å; L195-W198 HydrophobicContact CD1-CE3 4.16Å; L195-W198 PolarHBondContact O-N 2.9Å; W198-H201 PolarHBondContact O-N 2.69Å; W198-N202 VanDerWaalsContact CD2-ND2 3.32Å; W198-N202 WeakPolarHBondContact CZ2-ND2 3.49Å; W198-N202 PolarHBondContact NE1-ND2 3.4Å; W198-N202 PolarHBondContact O-N 3.36Å; W198-N202 VanDerWaalsContact O-N 3.12Å; W198-N202 PolarHBondContact O-ND2 3.16Å
199	L	91.4	Very high	89	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-44.3	174.7	-73.6	171.4	0	0	0	111.2	L111 L112 Y115 L195 H201 N202 H203	L111-L199 HydrophobicContact CB-CB 4.14Å; L111-L199 HydrophobicContact CD1-CB 4.45Å; L112-L199 HydrophobicContact CD1-CD1 4.09Å; Y115-L199 HydrophobicContact CD2-CD1 4.17Å; Y115-L199 HydrophobicContact CD2-CD2 3.85Å; Y115-L199 HydrophobicContact CE2-CD2 4.25Å; Y115-L199 HydrophobicContact CG-CD1 4.08Å; L195-L199 HydrophobicContact CD1-CD1 4.47Å; L195-L199 HydrophobicContact CD1-CG 4.35Å; L195-L199 HydrophobicContact CG-CD1 4.05Å; L195-L199 HydrophobicContact CG-CG 4.38Å; L195-L199 WeakPolarHBondContact O-CB 3.49Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.36Å; L195-L199 PolarHBondContact O-N 3.43Å; L199-H201 VanDerWaalsContact C-N 3.34Å; L199-H201 PolarHBondContact O-N 3.25Å; L199-N202 PolarHBondContact O-N 3.1Å; L199-H203 WeakPolarHBondContact O-CA 3.33Å; L199-H203 WeakPolarHBondContact O-CB 3.39Å; L199-H203 PolarHBondContact O-N 3.45Å
200	D	91.3	Very high	89.1	Confident	15 Å²	15	57.5 Å²	57.5	8%	0.08	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-40	176.7	-169.7	50.7	0	0	0	112.2	R107 Q108 S196 E197 N202 G204	R107-D200 WeakPolarHBondContact CB-OD1 3.25Å; R107-D200 WeakPolarHBondContact CD-OD1 3.4Å; R107-D200 IonicContact CZ-OD1 3.75Å; R107-D200 IonicContact CZ-OD2 2.71Å; R107-D200 IonicContact NE-OD1 2.71Å; R107-D200 PolarHBondContact NE-OD1 2.88Å; R107-D200 IonicContact NE-OD2 3.37Å; R107-D200 IonicContact NH2-OD1 3.9Å; R107-D200 PolarHBondContact NH2-OD1 2.78Å; R107-D200 IonicContact NH2-OD2 2.9Å; R107-D200 PolarHBondContact NH2-OD2 2.67Å; Q108-D200 HydrophobicContact CG-CB 3.83Å; S196-D200 WeakPolarHBondContact O-CB 3.28Å; S196-D200 PolarHBondContact O-N 3.42Å; E197-D200 PolarHBondContact O-N 2.9Å; D200-N202 VanDerWaalsContact C-N 3.34Å; D200-N202 PolarHBondContact O-N 3.42Å; D200-G204 WeakPolarHBondContact O-CA 3.39Å; D200-G204 PolarHBondContact O-N 3.14Å
201	H	89.6	Confident	89.3	Confident	126 Å²	126	56.3 Å²	56.3	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-60.5	-42.6	176	-177.8	72.7	0	0	0	112.5	H137 E197 W198 L199	H137-H201 AromaticContact CE1-CD2 3.69Å; H137-H201 AromaticContact CE1-CE1 3.9Å; H137-H201 AromaticContact CE1-CG 3.64Å; H137-H201 AromaticContact CE1-ND1 3.78Å; H137-H201 AromaticContact CE1-NE2 3.85Å; H137-H201 AromaticContact NE2-CG 3.94Å; E197-H201 PolarHBondContact O-N 3.38Å; W198-H201 PolarHBondContact O-N 2.69Å; L199-H201 VanDerWaalsContact C-N 3.34Å; L199-H201 PolarHBondContact O-N 3.25Å
202	N	90.3	Very high	89.6	Confident	58 Å²	58	57 Å²	57	31%	0.31	27%	0.266	S	S	.	.	H	α-helix	trans	-85	-37.8	-175.2	-66.9	-29.6	0	0	0	113.6	W198 L199 D200	W198-N202 VanDerWaalsContact CD2-ND2 3.32Å; W198-N202 WeakPolarHBondContact CZ2-ND2 3.49Å; W198-N202 PolarHBondContact NE1-ND2 3.4Å; W198-N202 PolarHBondContact O-N 3.36Å; W198-N202 VanDerWaalsContact O-N 3.12Å; W198-N202 PolarHBondContact O-ND2 3.16Å; L199-N202 PolarHBondContact O-N 3.1Å; D200-N202 VanDerWaalsContact C-N 3.34Å; D200-N202 PolarHBondContact O-N 3.42Å
203	H	90.9	Very high	89.9	Confident	82 Å²	82	51.3 Å²	51.3	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-122.3	-2.2	-168	-60	-64	0	0	0	113.9	L111 L199 K205 D206	L111-H203 HydrophobicContact CD1-CB 4.16Å; L111-H203 HydrophobicContact CD2-CB 3.9Å; L199-H203 WeakPolarHBondContact O-CA 3.33Å; L199-H203 WeakPolarHBondContact O-CB 3.39Å; L199-H203 PolarHBondContact O-N 3.45Å; H203-K205 PolarHBondContact O-N 2.91Å; H203-D206 IonicContact ND1-OD2 2.79Å; H203-D206 WeakPolarHBondContact O-CB 3.24Å; H203-D206 PolarHBondContact O-N 3.43Å
204	G	87.6	Confident	90.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-58.5	-36	-179.2	0	0	0	0	0	113.1	D200 D206 V207 G336	D200-G204 WeakPolarHBondContact O-CA 3.39Å; D200-G204 PolarHBondContact O-N 3.14Å; G204-D206 PolarHBondContact O-N 3.19Å; G204-V207 WeakPolarHBondContact O-CB 3.5Å; G204-V207 PolarHBondContact O-N 3.41Å; G204-G336 WeakPolarHBondContact O-CA 3.14Å
205	K	90.3	Very high	90.4	Very high	126 Å²	126	55.5 Å²	55.5	55%	0.548	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21.2	175.6	66.4	-180	-178.8	-179.8	0	114.2	H203 V207 D335	H203-K205 PolarHBondContact O-N 2.91Å; K205-V207 VanDerWaalsContact C-N 3.34Å; K205-D335 HydrophobicContact CB-CB 4.2Å
206	D	90	Very high	90.6	Very high	94 Å²	94	56.5 Å²	56.5	50%	0.503	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-85.7	-12.1	-177.9	-55.1	-40	0	0	0	111.4	H203 G204 R208	H203-D206 IonicContact ND1-OD2 2.79Å; H203-D206 WeakPolarHBondContact O-CB 3.24Å; H203-D206 PolarHBondContact O-N 3.43Å; G204-D206 PolarHBondContact O-N 3.19Å; D206-R208 PolarHBondContact O-N 2.98Å; D206-R208 VanDerWaalsContact O-N 3.08Å
207	V	89.8	Confident	90.8	Very high	10 Å²	10	56.6 Å²	56.6	6%	0.061	27%	0.273	C	S	.	.			trans	-78.1	92.1	178.8	-174.5	0	0	0	0	110.3	R107 L111 G204 K205 V212 F213 G336	R107-V207 HydrophobicContact CB-CG2 4.45Å; R107-V207 HydrophobicContact CG-CB 4.17Å; R107-V207 HydrophobicContact CG-CG1 4.24Å; R107-V207 HydrophobicContact CG-CG2 4.2Å; L111-V207 HydrophobicContact CD1-CG2 4.24Å; L111-V207 HydrophobicContact CD2-CG2 3.96Å; L111-V207 HydrophobicContact CG-CG2 4.06Å; G204-V207 WeakPolarHBondContact O-CB 3.5Å; G204-V207 PolarHBondContact O-N 3.41Å; K205-V207 VanDerWaalsContact C-N 3.34Å; V207-V212 HydrophobicContact CG1-CB 4.41Å; V207-V212 HydrophobicContact CG1-CG1 4.27Å; V207-V212 HydrophobicContact CG1-CG2 4.36Å; V207-F213 HydrophobicContact CG1-CZ 4.36Å; V207-G336 VanDerWaalsContact O-CA 3.32Å; V207-G336 WeakPolarHBondContact O-CA 3.43Å
208	R	85.9	Confident	91.2	Very high	193 Å²	193	60.9 Å²	60.9	73%	0.728	29%	0.291	S	S	*	.			trans	-100.1	-10.2	-177.7	-62.9	-176.1	176.7	-167.6	-4.1	114.9	D206 H210	D206-R208 PolarHBondContact O-N 2.98Å; D206-R208 VanDerWaalsContact O-N 3.08Å; R208-H210 PolarHBondContact O-N 3.46Å
209	D	87.9	Confident	91.4	Very high	90 Å²	90	63 Å²	63	48%	0.481	31%	0.309	S	S	.	.			trans	-79.7	111.5	-179.1	-176.1	-3.1	0	0	0	110.4	S211 V212	D209-S211 PolarHBondContact O-N 3.34Å; D209-S211 WeakPolarHBondContact OD1-CB 3.37Å; D209-S211 PolarHBondContact OD1-N 3.32Å; D209-S211 PolarHBondContact OD1-OG 3.23Å; D209-S211 PolarHBondContact OD2-OG 3.13Å; D209-V212 HydrophobicContact CB-CG2 4.09Å; D209-V212 WeakPolarHBondContact O-CB 3.3Å; D209-V212 PolarHBondContact O-N 3.47Å
210	H	86.6	Confident	91.7	Very high	72 Å²	72	64.3 Å²	64.3	33%	0.333	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.7	-180	-73.2	-167.4	0	0	0	112.8	R208 V212 F213 D214 F339	R208-H210 PolarHBondContact O-N 3.46Å; H210-V212 PolarHBondContact O-N 3.04Å; H210-V212 VanDerWaalsContact O-N 3.13Å; H210-F213 PolarHBondContact O-N 3.47Å; H210-F213 VanDerWaalsContact O-N 3.1Å; H210-D214 PolarHBondContact O-N 3Å; H210-F339 AromaticContact NE2-CD1 3.77Å; H210-F339 AromaticContact NE2-CE1 3.72Å
211	S	91.3	Very high	92	Very high	46 Å²	46	64.4 Å²	64.4	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-24.1	-179	69.2	0	0	0	0	112.9	D209 F213 D214 D215	D209-S211 PolarHBondContact O-N 3.34Å; D209-S211 WeakPolarHBondContact OD1-CB 3.37Å; D209-S211 PolarHBondContact OD1-N 3.32Å; D209-S211 PolarHBondContact OD1-OG 3.23Å; D209-S211 PolarHBondContact OD2-OG 3.13Å; S211-F213 VanDerWaalsContact C-N 3.26Å; S211-F213 PolarHBondContact O-N 3.03Å; S211-D214 PolarHBondContact O-N 2.83Å; S211-D215 VanDerWaalsContact O-CB 3.23Å; S211-D215 WeakPolarHBondContact O-CB 3.29Å; S211-D215 PolarHBondContact O-N 2.89Å
212	V	92.3	Very high	92.3	Very high	15 Å²	15	66.2 Å²	66.2	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-58.7	-38.6	175.8	173.2	0	0	0	0	112	A106 H110 V207 D209 H210	A106-V212 HydrophobicContact CB-CG1 4.12Å; H110-V212 HydrophobicContact CB-CG1 3.57Å; V207-V212 HydrophobicContact CG1-CB 4.41Å; V207-V212 HydrophobicContact CG1-CG1 4.27Å; V207-V212 HydrophobicContact CG1-CG2 4.36Å; D209-V212 HydrophobicContact CB-CG2 4.09Å; D209-V212 WeakPolarHBondContact O-CB 3.3Å; D209-V212 PolarHBondContact O-N 3.47Å; H210-V212 PolarHBondContact O-N 3.04Å; H210-V212 VanDerWaalsContact O-N 3.13Å
213	F	93.4	Very high	92.7	Very high	6 Å²	6	65 Å²	65	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-77.4	-47	179.9	-53.3	-74.7	0	0	0	111	I103 A106 R107 V207 H210 S211 D215 L216 A217 P338	I103-F213 HydrophobicContact CB-CD1 4.36Å; I103-F213 HydrophobicContact CB-CE1 4.16Å; I103-F213 HydrophobicContact CG1-CD1 4.28Å; I103-F213 HydrophobicContact CG1-CE1 4.37Å; I103-F213 HydrophobicContact CG2-CD1 4.46Å; I103-F213 HydrophobicContact CG2-CE1 3.78Å; I103-F213 HydrophobicContact CG2-CZ 4.47Å; A106-F213 HydrophobicContact CB-CD1 3.57Å; A106-F213 HydrophobicContact CB-CE1 4.12Å; A106-F213 HydrophobicContact CB-CG 4.37Å; R107-F213 HydrophobicContact CG-CE1 3.78Å; R107-F213 HydrophobicContact CG-CZ 3.99Å; V207-F213 HydrophobicContact CG1-CZ 4.36Å; H210-F213 PolarHBondContact O-N 3.47Å; H210-F213 VanDerWaalsContact O-N 3.1Å; S211-F213 VanDerWaalsContact C-N 3.26Å; S211-F213 PolarHBondContact O-N 3.03Å; F213-D215 VanDerWaalsContact C-N 3.35Å; F213-D215 PolarHBondContact O-N 3.37Å; F213-L216 PolarHBondContact O-N 2.84Å; F213-A217 PolarHBondContact O-N 2.97Å; F213-P338 HydrophobicContact CD1-CG 4.46Å; F213-P338 HydrophobicContact CD2-CB 4.04Å; F213-P338 HydrophobicContact CD2-CG 4.14Å; F213-P338 HydrophobicContact CE2-CB 4.41Å; F213-P338 HydrophobicContact CE2-CG 4.45Å; F213-P338 HydrophobicContact CG-CB 4.45Å; F213-P338 HydrophobicContact CG-CG 4.15Å
214	D	92.8	Very high	93	Very high	61 Å²	61	61.2 Å²	61.2	33%	0.326	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-42.8	179.5	-71.1	0.9	0	0	0	112.1	H210 S211 L216 A217 K218	H210-D214 PolarHBondContact O-N 3Å; S211-D214 PolarHBondContact O-N 2.83Å; D214-L216 PolarHBondContact O-N 3.11Å; D214-A217 PolarHBondContact O-N 3.48Å; D214-K218 VanDerWaalsContact O-CB 3.31Å; D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.4Å; D214-K218 PolarHBondContact O-N 3.43Å
215	D	94.1	Very high	93.5	Very high	92 Å²	92	64.3 Å²	64.3	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-39.9	-178.1	-77.4	-9.1	0	0	0	111.5	S211 F213 T219	S211-D215 VanDerWaalsContact O-CB 3.23Å; S211-D215 WeakPolarHBondContact O-CB 3.29Å; S211-D215 PolarHBondContact O-N 2.89Å; F213-D215 VanDerWaalsContact C-N 3.35Å; F213-D215 PolarHBondContact O-N 3.37Å; D215-T219 VanDerWaalsContact O-CB 3.31Å; D215-T219 WeakPolarHBondContact O-CB 3.37Å; D215-T219 PolarHBondContact O-N 3.49Å; D215-T219 PolarHBondContact O-OG1 3.02Å
216	L	94.8	Very high	93.8	Very high	21 Å²	21	60 Å²	60	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-50.3	174.4	-169.5	90.2	0	0	0	110.4	I102 R105 A106 F213 D214 T219 Y220	I102-L216 HydrophobicContact CG2-CD2 4.37Å; R105-L216 HydrophobicContact CB-CD2 3.91Å; R105-L216 HydrophobicContact CG-CD1 4.48Å; R105-L216 HydrophobicContact CG-CD2 3.85Å; A106-L216 HydrophobicContact CB-CB 4.1Å; A106-L216 HydrophobicContact CB-CD2 3.91Å; A106-L216 HydrophobicContact CB-CG 4.5Å; F213-L216 PolarHBondContact O-N 2.84Å; D214-L216 PolarHBondContact O-N 3.11Å; L216-T219 WeakPolarHBondContact O-CB 3.37Å; L216-T219 PolarHBondContact O-N 2.88Å; L216-Y220 HydrophobicContact CD1-CD2 4.3Å; L216-Y220 HydrophobicContact CD1-CE2 3.78Å; L216-Y220 HydrophobicContact CG-CD2 3.97Å; L216-Y220 HydrophobicContact CG-CE2 3.94Å; L216-Y220 WeakPolarHBondContact O-CD2 3.49Å; L216-Y220 PolarHBondContact O-N 3.34Å; L216-Y220 VanDerWaalsContact O-N 3.11Å
217	A	95.8	Very high	94.1	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-49.6	-179	0	0	0	0	0	111.5	V59 D97 I102 F213 D214 T219 Y220 E221	V59-A217 HydrophobicContact CG2-CB 3.75Å; V59-A217 WeakPolarHBondContact CG2-O 3.32Å; D97-A217 HydrophobicContact CB-CB 3.97Å; I102-A217 HydrophobicContact CG2-CB 4.46Å; F213-A217 PolarHBondContact O-N 2.97Å; D214-A217 PolarHBondContact O-N 3.48Å; A217-T219 VanDerWaalsContact C-N 3.29Å; A217-T219 PolarHBondContact O-N 2.86Å; A217-Y220 PolarHBondContact O-N 3.26Å; A217-E221 VanDerWaalsContact O-CB 3.3Å; A217-E221 WeakPolarHBondContact O-CB 3.36Å; A217-E221 PolarHBondContact O-N 3.15Å
218	K	96.5	Very high	94.5	Very high	120 Å²	120	55.5 Å²	55.5	52%	0.522	27%	0.274	S	S	.	.	H	α-helix	trans	-60.1	-37.4	177.2	-73.2	167.5	-174.4	160.8	0	112.5	D214 K222	D214-K218 VanDerWaalsContact O-CB 3.31Å; D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 VanDerWaalsContact O-CG 3.22Å; D214-K218 WeakPolarHBondContact O-CG 3.4Å; D214-K218 PolarHBondContact O-N 3.43Å; K218-K222 WeakPolarHBondContact O-CB 3.31Å; K218-K222 PolarHBondContact O-N 2.79Å
219	T	96.5	Very high	94.9	Very high	84 Å²	84	49.5 Å²	49.5	52%	0.515	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-50.7	177.3	-63.5	0	0	0	0	110.8	D215 L216 A217 K222 E223	D215-T219 VanDerWaalsContact O-CB 3.31Å; D215-T219 WeakPolarHBondContact O-CB 3.37Å; D215-T219 PolarHBondContact O-N 3.49Å; D215-T219 PolarHBondContact O-OG1 3.02Å; L216-T219 WeakPolarHBondContact O-CB 3.37Å; L216-T219 PolarHBondContact O-N 2.88Å; A217-T219 VanDerWaalsContact C-N 3.29Å; A217-T219 PolarHBondContact O-N 2.86Å; T219-K222 PolarHBondContact O-N 3.41Å; T219-E223 WeakPolarHBondContact O-CB 3.35Å; T219-E223 PolarHBondContact O-N 2.89Å
220	Y	97	Very high	95.2	Very high	36 Å²	36	50.8 Å²	50.8	14%	0.141	26%	0.263	C	S	.	.	H	α-helix	trans	-77	-27.1	-178.6	-73.7	-65	0	0	0	113.6	Y60 D61 S62 L216 A217 E223 F224	Y60-Y220 VanDerWaalsContact C-CD2 3.49Å; Y60-Y220 VanDerWaalsContact O-CE2 3.25Å; Y60-Y220 WeakPolarHBondContact O-CE2 3.45Å; D61-Y220 VanDerWaalsContact C-CE1 3.49Å; S62-Y220 VanDerWaalsContact N-CE1 3.3Å; L216-Y220 HydrophobicContact CD1-CD2 4.3Å; L216-Y220 HydrophobicContact CD1-CE2 3.78Å; L216-Y220 HydrophobicContact CG-CD2 3.97Å; L216-Y220 HydrophobicContact CG-CE2 3.94Å; L216-Y220 WeakPolarHBondContact O-CD2 3.49Å; L216-Y220 PolarHBondContact O-N 3.34Å; L216-Y220 VanDerWaalsContact O-N 3.11Å; A217-Y220 PolarHBondContact O-N 3.26Å; Y220-E223 PolarHBondContact O-N 2.88Å; Y220-F224 VanDerWaalsContact O-CB 3.29Å; Y220-F224 WeakPolarHBondContact O-CB 3.43Å; Y220-F224 PolarHBondContact O-N 3.42Å
221	E	97.8	Very high	95.7	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-51.4	168.9	-173.6	-166.8	143.8	0	0	110.4	V59 I95 A217 E223 F224 L225 R241	V59-E221 HydrophobicContact CB-CB 4.46Å; V59-E221 HydrophobicContact CG1-CB 4Å; I95-E221 HydrophobicContact CD1-CG 4.38Å; I95-E221 HydrophobicContact CG1-CG 4.17Å; I95-E221 HydrophobicContact CG2-CG 4.16Å; A217-E221 VanDerWaalsContact O-CB 3.3Å; A217-E221 WeakPolarHBondContact O-CB 3.36Å; A217-E221 PolarHBondContact O-N 3.15Å; E221-E223 VanDerWaalsContact C-N 3.27Å; E221-E223 PolarHBondContact O-N 2.71Å; E221-F224 PolarHBondContact O-N 2.97Å; E221-L225 HydrophobicContact CG-CD1 4.22Å; E221-L225 WeakPolarHBondContact O-CG 3.46Å; E221-L225 PolarHBondContact O-N 3.13Å; E221-R241 IonicContact OE1-CZ 3.55Å; E221-R241 IonicContact OE1-NE 3.53Å; E221-R241 PolarHBondContact OE1-NE 2.71Å; E221-R241 VanDerWaalsContact OE1-NE 3.16Å; E221-R241 IonicContact OE1-NH2 2.97Å; E221-R241 PolarHBondContact OE1-NH2 3.38Å; E221-R241 IonicContact OE2-CZ 3.11Å; E221-R241 IonicContact OE2-NE 2.71Å; E221-R241 PolarHBondContact OE2-NE 3.37Å; E221-R241 IonicContact OE2-NH2 3.3Å
222	K	97.8	Very high	95.8	Very high	164 Å²	164	47.4 Å²	47.4	71%	0.713	24%	0.244	S	C	*	.	H	α-helix	trans	-58.4	-42.3	176.5	-178.5	179.4	179.5	178.8	0	111.4	K218 T219 A226	K218-K222 WeakPolarHBondContact O-CB 3.31Å; K218-K222 PolarHBondContact O-N 2.79Å; T219-K222 PolarHBondContact O-N 3.41Å; K222-A226 VanDerWaalsContact O-CB 3.28Å; K222-A226 WeakPolarHBondContact O-CB 3.44Å; K222-A226 PolarHBondContact O-N 3.07Å
223	E	97.2	Very high	96.1	Very high	34 Å²	34	47.6 Å²	47.6	16%	0.159	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-46	175.9	170.1	156.4	151.5	0	0	112.4	S62 T219 Y220 E221 A226 D227 R425	S62-E223 WeakPolarHBondContact CB-OE1 3.3Å; S62-E223 PolarHBondContact OG-OE1 3.29Å; T219-E223 WeakPolarHBondContact O-CB 3.35Å; T219-E223 PolarHBondContact O-N 2.89Å; Y220-E223 PolarHBondContact O-N 2.88Å; E221-E223 VanDerWaalsContact C-N 3.27Å; E221-E223 PolarHBondContact O-N 2.71Å; E223-A226 PolarHBondContact O-N 3.44Å; E223-D227 WeakPolarHBondContact O-CB 3.44Å; E223-D227 PolarHBondContact O-N 3.4Å; E223-R425 IonicContact OE2-CZ 3.82Å; E223-R425 IonicContact OE2-NH1 3.66Å; E223-R425 IonicContact OE2-NH2 2.6Å
224	F	97.8	Very high	96.2	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-50.9	177.2	165.6	-106.1	0	0	0	111.5	P57 S63 Y71 M93 I95 Y220 E221 A226 D227 M228	P57-F224 HydrophobicContact CB-CD2 4.38Å; P57-F224 HydrophobicContact CB-CE2 4.37Å; P57-F224 HydrophobicContact CG-CD1 3.64Å; P57-F224 HydrophobicContact CG-CD2 3.87Å; P57-F224 HydrophobicContact CG-CE1 3.62Å; P57-F224 HydrophobicContact CG-CE2 3.85Å; P57-F224 HydrophobicContact CG-CG 3.76Å; P57-F224 HydrophobicContact CG-CZ 3.73Å; S63-F224 WeakPolarHBondContact OG-CD2 3.48Å; Y71-F224 HydrophobicContact CD1-CZ 4.41Å; Y71-F224 AromaticContact CD2-CE2 3.75Å; Y71-F224 HydrophobicContact CD2-CE2 3.75Å; Y71-F224 HydrophobicContact CD2-CZ 4.13Å; Y71-F224 HydrophobicContact CE1-CZ 4.12Å; Y71-F224 AromaticContact CE2-CE2 3.49Å; Y71-F224 HydrophobicContact CE2-CE2 3.49Å; Y71-F224 VanDerWaalsContact CE2-CE2 3.49Å; Y71-F224 AromaticContact CE2-CZ 3.84Å; Y71-F224 HydrophobicContact CE2-CZ 3.84Å; Y71-F224 HydrophobicContact CG-CE2 4.44Å; Y71-F224 HydrophobicContact CG-CZ 4.43Å; Y71-F224 AromaticContact CZ-CE2 3.96Å; Y71-F224 AromaticContact CZ-CZ 3.84Å; M93-F224 HydrophobicContact CE-CE1 3.76Å; M93-F224 HydrophobicContact CE-CZ 4.31Å; M93-F224 HydrophobicContact SD-CE1 4.21Å; M93-F224 HydrophobicContact SD-CZ 4.19Å; I95-F224 HydrophobicContact CD1-CD1 4.2Å; I95-F224 HydrophobicContact CD1-CE1 4.14Å; Y220-F224 VanDerWaalsContact O-CB 3.29Å; Y220-F224 WeakPolarHBondContact O-CB 3.43Å; Y220-F224 PolarHBondContact O-N 3.42Å; E221-F224 PolarHBondContact O-N 2.97Å; F224-A226 VanDerWaalsContact C-N 3.3Å; F224-A226 PolarHBondContact O-N 3.39Å; F224-D227 PolarHBondContact O-N 3.31Å; F224-D227 VanDerWaalsContact O-N 3.13Å; F224-M228 HydrophobicContact CD1-CG 4.49Å; F224-M228 HydrophobicContact CD2-CE 3.99Å; F224-M228 HydrophobicContact CD2-CG 4.04Å; F224-M228 HydrophobicContact CD2-SD 4.47Å; F224-M228 HydrophobicContact CE1-CG 4.08Å; F224-M228 HydrophobicContact CE2-CE 3.72Å; F224-M228 HydrophobicContact CE2-CG 3.59Å; F224-M228 HydrophobicContact CE2-SD 3.74Å; F224-M228 HydrophobicContact CG-CG 4.49Å; F224-M228 HydrophobicContact CZ-CG 3.62Å; F224-M228 HydrophobicContact CZ-SD 4.09Å; F224-M228 WeakPolarHBondContact O-CG 3.33Å; F224-M228 PolarHBondContact O-N 3.44Å
225	L	97.6	Very high	96.3	Very high	66 Å²	66	51.5 Å²	51.5	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-40.1	179.3	-66.6	175.6	0	0	0	111.6	E221 M228 A229 L239	E221-L225 HydrophobicContact CG-CD1 4.22Å; E221-L225 WeakPolarHBondContact O-CG 3.46Å; E221-L225 PolarHBondContact O-N 3.13Å; L225-M228 PolarHBondContact O-N 3.09Å; L225-A229 WeakPolarHBondContact O-CB 3.26Å; L225-A229 PolarHBondContact O-N 3.18Å; L225-L239 HydrophobicContact CD2-CD1 4.01Å
226	A	97.1	Very high	96.5	Very high	34 Å²	34	48.7 Å²	48.7	28%	0.281	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-39.7	174.9	0	0	0	0	0	112.3	K222 E223 F224 A229 R230	K222-A226 VanDerWaalsContact O-CB 3.28Å; K222-A226 WeakPolarHBondContact O-CB 3.44Å; K222-A226 PolarHBondContact O-N 3.07Å; E223-A226 PolarHBondContact O-N 3.44Å; F224-A226 VanDerWaalsContact C-N 3.3Å; F224-A226 PolarHBondContact O-N 3.39Å; A226-A229 PolarHBondContact O-N 3.39Å; A226-R230 VanDerWaalsContact O-CG 3.31Å; A226-R230 WeakPolarHBondContact O-CG 3.44Å; A226-R230 PolarHBondContact O-N 2.89Å
227	D	96.9	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.9	-38.4	176.5	-73.4	-4.7	0	0	0	111.8	E223 F224 R230 L231 I424 R425	E223-D227 WeakPolarHBondContact O-CB 3.44Å; E223-D227 PolarHBondContact O-N 3.4Å; F224-D227 PolarHBondContact O-N 3.31Å; F224-D227 VanDerWaalsContact O-N 3.13Å; D227-R230 PolarHBondContact O-N 3.31Å; D227-R230 IonicContact OD1-CZ 3.11Å; D227-R230 IonicContact OD1-NH1 3.13Å; D227-R230 PolarHBondContact OD1-NH1 3.14Å; D227-L231 WeakPolarHBondContact O-CG 3.12Å; D227-L231 PolarHBondContact O-N 2.99Å; D227-I424 HydrophobicContact CB-CB 4.43Å; D227-I424 HydrophobicContact CB-CD1 4.15Å; D227-I424 HydrophobicContact CB-CG2 4.28Å; D227-R425 WeakPolarHBondContact OD1-CG 3.38Å; D227-R425 IonicContact OD1-CZ 2.64Å; D227-R425 IonicContact OD1-NE 3.55Å; D227-R425 PolarHBondContact OD1-NE 3.15Å; D227-R425 IonicContact OD1-NH2 2.65Å; D227-R425 IonicContact OD2-NE 2.72Å
228	M	97.4	Very high	96.7	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.054	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-44.7	172.7	-68.8	-51.6	101.2	0	0	111.2	Y71 F224 L225 R230 L231 N232 V233 I424	Y71-M228 VanDerWaalsContact CB-SD 3.6Å; Y71-M228 HydrophobicContact CD2-CE 4.33Å; Y71-M228 HydrophobicContact CD2-SD 3.92Å; Y71-M228 HydrophobicContact CG-SD 3.89Å; F224-M228 HydrophobicContact CD1-CG 4.49Å; F224-M228 HydrophobicContact CD2-CE 3.99Å; F224-M228 HydrophobicContact CD2-CG 4.04Å; F224-M228 HydrophobicContact CD2-SD 4.47Å; F224-M228 HydrophobicContact CE1-CG 4.08Å; F224-M228 HydrophobicContact CE2-CE 3.72Å; F224-M228 HydrophobicContact CE2-CG 3.59Å; F224-M228 HydrophobicContact CE2-SD 3.74Å; F224-M228 HydrophobicContact CG-CG 4.49Å; F224-M228 HydrophobicContact CZ-CG 3.62Å; F224-M228 HydrophobicContact CZ-SD 4.09Å; F224-M228 WeakPolarHBondContact O-CG 3.33Å; F224-M228 PolarHBondContact O-N 3.44Å; L225-M228 PolarHBondContact O-N 3.09Å; M228-R230 PolarHBondContact O-N 3.32Å; M228-L231 HydrophobicContact CE-CD1 4.24Å; M228-L231 CarbonylContact O-C 3.53Å; M228-L231 PolarHBondContact O-N 3.42Å; M228-L231 VanDerWaalsContact O-N 3.14Å; M228-N232 PolarHBondContact O-N 3.44Å; M228-V233 HydrophobicContact CB-CB 4.05Å; M228-V233 HydrophobicContact CB-CG1 4.33Å; M228-V233 WeakPolarHBondContact O-CB 3.33Å; M228-V233 PolarHBondContact O-N 3.19Å; M228-V233 HydrophobicContact SD-CG2 4.23Å; M228-I424 HydrophobicContact CE-CD1 3.57Å
229	A	95.6	Very high	96.8	Very high	66 Å²	66	50.6 Å²	50.6	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-43.8	175.6	0	0	0	0	0	112.2	L225 A226 L231 N232	L225-A229 WeakPolarHBondContact O-CB 3.26Å; L225-A229 PolarHBondContact O-N 3.18Å; A226-A229 PolarHBondContact O-N 3.39Å; A229-L231 PolarHBondContact O-N 3.41Å; A229-N232 WeakPolarHBondContact O-CA 3.33Å; A229-N232 PolarHBondContact O-N 2.91Å
230	R	94.1	Very high	96.8	Very high	117 Å²	117	46.6 Å²	46.6	44%	0.442	25%	0.25	S	S	.	.	H	α-helix	trans	-58.1	-34.6	173.8	-75.3	173.5	-176.4	116	5.8	112.5	A226 D227 M228 N232 L428 P433	A226-R230 VanDerWaalsContact O-CG 3.31Å; A226-R230 WeakPolarHBondContact O-CG 3.44Å; A226-R230 PolarHBondContact O-N 2.89Å; D227-R230 PolarHBondContact O-N 3.31Å; D227-R230 IonicContact OD1-CZ 3.11Å; D227-R230 IonicContact OD1-NH1 3.13Å; D227-R230 PolarHBondContact OD1-NH1 3.14Å; M228-R230 PolarHBondContact O-N 3.32Å; R230-N232 PolarHBondContact O-N 3.07Å; R230-L428 HydrophobicContact CB-CD1 4.14Å; R230-P433 VanDerWaalsContact O-CB 3.24Å; R230-P433 WeakPolarHBondContact O-CB 3.41Å; R230-P433 WeakPolarHBondContact O-CG 3.44Å
231	L	95.2	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3.4	176.1	-68.7	178.2	0	0	0	113.9	A68 L72 D227 M228 A229 V233 I424 L428 P433 L436 R437	A68-L231 HydrophobicContact CB-CD1 3.75Å; L72-L231 HydrophobicContact CD1-CB 4.45Å; L72-L231 HydrophobicContact CD1-CD1 4.05Å; L72-L231 HydrophobicContact CD1-CD2 4.37Å; L72-L231 HydrophobicContact CD2-CB 4.26Å; L72-L231 HydrophobicContact CG-CD1 4.47Å; D227-L231 WeakPolarHBondContact O-CG 3.12Å; D227-L231 PolarHBondContact O-N 2.99Å; M228-L231 HydrophobicContact CE-CD1 4.24Å; M228-L231 CarbonylContact O-C 3.53Å; M228-L231 PolarHBondContact O-N 3.42Å; M228-L231 VanDerWaalsContact O-N 3.14Å; A229-L231 PolarHBondContact O-N 3.41Å; L231-V233 HydrophobicContact CB-CG2 4.18Å; L231-V233 PolarHBondContact O-N 3.05Å; L231-I424 HydrophobicContact CD1-CD1 3.9Å; L231-I424 HydrophobicContact CD1-CG1 4.41Å; L231-I424 HydrophobicContact CD1-CG2 3.74Å; L231-I424 HydrophobicContact CD2-CG2 4.08Å; L231-I424 HydrophobicContact CG-CG2 3.91Å; L231-L428 HydrophobicContact CD2-CD1 4.45Å; L231-L428 HydrophobicContact CD2-CD2 4.15Å; L231-P433 HydrophobicContact CD2-CB 4.4Å; L231-L436 HydrophobicContact CD2-CD1 4.12Å; L231-R437 PolarHBondContact O-NE 3.16Å; L231-R437 PolarHBondContact O-NH2 3.31Å
232	N	95.3	Very high	96.8	Very high	47 Å²	47	47.3 Å²	47.3	25%	0.251	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	29.6	-174.2	-171.5	27.9	0	0	0	113.2	R79 M228 A229 R230 R437 G568	R79-N232 PolarHBondContact NH2-O 3.2Å; M228-N232 PolarHBondContact O-N 3.44Å; A229-N232 WeakPolarHBondContact O-CA 3.33Å; A229-N232 PolarHBondContact O-N 2.91Å; R230-N232 PolarHBondContact O-N 3.07Å; N232-R437 PolarHBondContact ND2-NH1 2.77Å; N232-R437 VanDerWaalsContact ND2-NH1 3.18Å; N232-R437 VanDerWaalsContact O-CZ 3.3Å; N232-R437 PolarHBondContact O-NH1 3.25Å; N232-R437 PolarHBondContact O-NH2 2.89Å; N232-G568 PolarHBondContact ND2-O 3.42Å
233	V	96.7	Very high	96.7	Very high	19 Å²	19	41.1 Å²	41.1	12%	0.115	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-73.4	128.3	167.5	174.8	0	0	0	0	107.2	L72 D75 M228 L231	L72-V233 HydrophobicContact CD2-CG2 3.76Å; L72-V233 HydrophobicContact CG-CG2 4.15Å; D75-V233 HydrophobicContact CB-CG1 4.11Å; D75-V233 HydrophobicContact CB-CG2 4.31Å; M228-V233 HydrophobicContact CB-CB 4.05Å; M228-V233 HydrophobicContact CB-CG1 4.33Å; M228-V233 WeakPolarHBondContact O-CB 3.33Å; M228-V233 PolarHBondContact O-N 3.19Å; M228-V233 HydrophobicContact SD-CG2 4.23Å; L231-V233 HydrophobicContact CB-CG2 4.18Å; L231-V233 PolarHBondContact O-N 3.05Å
234	L	95.8	Very high	96.6	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.215	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.1	153.5	177.5	-55.1	172.4	0	0	0	110.4	D75 R78 R79	D75-L234 PolarHBondContact OD1-N 3.42Å; R78-L234 VanDerWaalsContact NH2-C 3.29Å; R78-L234 VanDerWaalsContact NH2-CA 3.32Å; R78-L234 VanDerWaalsContact NH2-CB 3.28Å; R78-L234 PolarHBondContact NH2-O 3.47Å; R79-L234 HydrophobicContact CG-CD1 4.01Å; R79-L234 VanDerWaalsContact CZ-CG 3.45Å; R79-L234 VanDerWaalsContact NH2-CG 3.26Å
235	P	96.3	Very high	96.6	Very high	109 Å²	109	46.2 Å²	46.2	71%	0.708	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-56.2	154.3	164.1	26	-34.1	0	0	0	110.5	R78	R78-P235 PolarHBondContact NH1-O 3.01Å
236	V	96.7	Very high	96.6	Very high	32 Å²	32	43.1 Å²	43.1	19%	0.194	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-79.7	156.3	168	-57.9	0	0	0	0	109	F91 M93 V238 L239	F91-V236 HydrophobicContact CD1-CB 4.25Å; F91-V236 HydrophobicContact CD1-CG1 3.77Å; F91-V236 HydrophobicContact CE1-CG1 4.07Å; M93-V236 HydrophobicContact CB-CB 4.32Å; M93-V236 HydrophobicContact CB-CG1 3.77Å; M93-V236 HydrophobicContact CB-CG2 4.29Å; M93-V236 HydrophobicContact CE-CG1 3.92Å; M93-V236 HydrophobicContact CE-CG2 4.27Å; M93-V236 HydrophobicContact SD-CG1 4.22Å; V236-V238 WeakPolarHBondContact CG2-O 3.46Å; V236-L239 HydrophobicContact CG2-CB 3.79Å; V236-L239 HydrophobicContact CG2-CD1 4.15Å; V236-L239 HydrophobicContact CG2-CG 4.49Å
237	D	97.8	Very high	96.6	Very high	101 Å²	101	45.3 Å²	45.3	54%	0.54	25%	0.247	S	C	.	.	S	Bend	trans	-76.8	-34.5	179.5	-57.2	-62.6	0	0	0	110.9	F91	F91-D237 WeakPolarHBondContact CB-OD2 3.27Å; F91-D237 PolarHBondContact N-OD2 2.83Å; F91-D237 PolarHBondContact O-N 3.27Å
238	V	98.1	Very high	96.6	Very high	38 Å²	38	49.3 Å²	49.3	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.7	175.3	-176.4	0	0	0	0	109.6	F91 I92 M93 V236 T240 I362	F91-V238 PolarHBondContact O-N 2.82Å; I92-V238 WeakPolarHBondContact CA-O 3.37Å; I92-V238 HydrophobicContact CB-CB 4.39Å; I92-V238 HydrophobicContact CG1-CB 4Å; I92-V238 HydrophobicContact CG1-CG2 4.32Å; I92-V238 HydrophobicContact CG2-CB 4.06Å; I92-V238 HydrophobicContact CG2-CG1 4.21Å; M93-V238 PolarHBondContact N-O 2.93Å; V236-V238 WeakPolarHBondContact CG2-O 3.46Å; V238-T240 HydrophobicContact CG1-CG2 4.07Å; V238-I362 HydrophobicContact CG1-CD1 4.21Å; V238-I362 HydrophobicContact CG1-CG1 4.29Å; V238-I362 HydrophobicContact CG1-CG2 4.43Å
239	L	97.8	Very high	96.7	Very high	46 Å²	46	48.9 Å²	48.9	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.2	173.6	-173.2	136.3	0	0	0	109.4	M93 I95 L225 V236 R241	M93-L239 HydrophobicContact CE-CD1 3.79Å; M93-L239 VanDerWaalsContact O-CA 3.3Å; M93-L239 WeakPolarHBondContact O-CA 3.37Å; I95-L239 HydrophobicContact CD1-CD1 4.18Å; I95-L239 HydrophobicContact CG1-CD1 4Å; I95-L239 HydrophobicContact CG1-CD2 3.91Å; I95-L239 HydrophobicContact CG1-CG 4.04Å; L225-L239 HydrophobicContact CD2-CD1 4.01Å; V236-L239 HydrophobicContact CG2-CB 3.79Å; V236-L239 HydrophobicContact CG2-CD1 4.15Å; V236-L239 HydrophobicContact CG2-CG 4.49Å; L239-R241 HydrophobicContact CD2-CG 4.39Å
240	T	97.8	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.9	-179.8	60.3	0	0	0	0	110.8	M93 N94 I95 V238 Y245 M358 I362	M93-T240 PolarHBondContact O-N 3.4Å; M93-T240 VanDerWaalsContact O-N 3.09Å; N94-T240 CarbonylContact C-O 3.11Å; N94-T240 VanDerWaalsContact CA-O 3.3Å; N94-T240 WeakPolarHBondContact CA-O 3.42Å; N94-T240 WeakPolarHBondContact CA-OG1 3.36Å; N94-T240 WeakPolarHBondContact CB-OG1 3.38Å; I95-T240 PolarHBondContact N-O 2.81Å; V238-T240 HydrophobicContact CG1-CG2 4.07Å; T240-Y245 HydrophobicContact CG2-CE2 3.89Å; T240-M358 VanDerWaalsContact CB-SD 3.53Å; T240-M358 PolarHBondContact OG1-SD 3.02Å; T240-I362 HydrophobicContact CG2-CG1 4.24Å
241	R	97.6	Very high	97	Very high	66 Å²	66	45.7 Å²	45.7	25%	0.249	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.7	174.3	-58.7	-176.4	-175.2	72	10.5	110.4	I95 E221 L239 S243 E244 Y245	I95-R241 HydrophobicContact CB-CG 4.32Å; E221-R241 IonicContact OE1-CZ 3.55Å; E221-R241 IonicContact OE1-NE 3.53Å; E221-R241 PolarHBondContact OE1-NE 2.71Å; E221-R241 VanDerWaalsContact OE1-NE 3.16Å; E221-R241 IonicContact OE1-NH2 2.97Å; E221-R241 PolarHBondContact OE1-NH2 3.38Å; E221-R241 IonicContact OE2-CZ 3.11Å; E221-R241 IonicContact OE2-NE 2.71Å; E221-R241 PolarHBondContact OE2-NE 3.37Å; E221-R241 IonicContact OE2-NH2 3.3Å; L239-R241 HydrophobicContact CD2-CG 4.39Å; R241-S243 VanDerWaalsContact C-N 3.29Å; R241-S243 PolarHBondContact O-N 3.21Å; R241-E244 HydrophobicContact CB-CB 4.49Å; R241-E244 HydrophobicContact CB-CG 4.01Å; R241-E244 WeakPolarHBondContact CD-OE1 3.22Å; R241-E244 IonicContact CZ-OE1 2.63Å; R241-E244 IonicContact NE-OE1 2.64Å; R241-E244 IonicContact NH1-OE1 2.91Å; R241-E244 PolarHBondContact NH1-OE1 3.35Å; R241-E244 IonicContact NH1-OE2 3.07Å; R241-E244 WeakPolarHBondContact O-CB 3.07Å; R241-E244 PolarHBondContact O-N 2.72Å; R241-E244 VanDerWaalsContact O-N 3.09Å; R241-Y245 VanDerWaalsContact O-CD2 3.31Å; R241-Y245 WeakPolarHBondContact O-CD2 3.49Å
242	V	96.5	Very high	97.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-59.7	-42.6	-176.8	-177	0	0	0	0	111.2	I95 T96 D97 V98 E244 Y245 V246 P349 E354 M358	I95-V242 PolarHBondContact O-N 3.4Å; T96-V242 HydrophobicContact CG2-CG2 4.47Å; D97-V242 WeakPolarHBondContact OD1-CA 3.25Å; D97-V242 WeakPolarHBondContact OD1-CB 3.13Å; D97-V242 PolarHBondContact OD1-N 2.92Å; V98-V242 HydrophobicContact CB-CG1 4.34Å; V242-E244 PolarHBondContact O-N 2.89Å; V242-E244 VanDerWaalsContact O-N 3.16Å; V242-Y245 PolarHBondContact O-N 3.32Å; V242-Y245 VanDerWaalsContact O-N 3.08Å; V242-V246 WeakPolarHBondContact O-CG2 3.21Å; V242-P349 HydrophobicContact CG1-CB 4.21Å; V242-P349 HydrophobicContact CG1-CG 4.01Å; V242-E354 HydrophobicContact CB-CB 4.38Å; V242-E354 HydrophobicContact CG1-CB 3.79Å; V242-E354 HydrophobicContact CG2-CB 3.77Å; V242-E354 HydrophobicContact CG2-CG 3.92Å; V242-E354 WeakPolarHBondContact CG2-OE2 3.36Å; V242-M358 HydrophobicContact CG2-CE 3.91Å
243	S	95.1	Very high	97.2	Very high	34 Å²	34	44.1 Å²	44.1	24%	0.238	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26.2	178.9	67	0	0	0	0	114	D97 R241	D97-S243 PolarHBondContact OD1-N 2.86Å; D97-S243 VanDerWaalsContact OD2-CB 3.24Å; D97-S243 WeakPolarHBondContact OD2-CB 3.39Å; D97-S243 PolarHBondContact OD2-OG 3.05Å; R241-S243 VanDerWaalsContact C-N 3.29Å; R241-S243 PolarHBondContact O-N 3.21Å
244	E	96.5	Very high	97.3	Very high	98 Å²	98	47 Å²	47	46%	0.458	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-81.8	-17.4	-179.7	-64.7	169.5	179.5	0	0	112.9	R241 V242	R241-E244 HydrophobicContact CB-CB 4.49Å; R241-E244 HydrophobicContact CB-CG 4.01Å; R241-E244 WeakPolarHBondContact CD-OE1 3.22Å; R241-E244 IonicContact CZ-OE1 2.63Å; R241-E244 IonicContact NE-OE1 2.64Å; R241-E244 IonicContact NH1-OE1 2.91Å; R241-E244 PolarHBondContact NH1-OE1 3.35Å; R241-E244 IonicContact NH1-OE2 3.07Å; R241-E244 WeakPolarHBondContact O-CB 3.07Å; R241-E244 PolarHBondContact O-N 2.72Å; R241-E244 VanDerWaalsContact O-N 3.09Å; V242-E244 PolarHBondContact O-N 2.89Å; V242-E244 VanDerWaalsContact O-N 3.16Å
245	Y	97.4	Very high	97.4	Very high	44 Å²	44	49.3 Å²	49.3	17%	0.173	26%	0.259	C	S	.	.	S	Bend	trans	-116	13.8	-172.9	-73	-101.6	0	0	0	113.6	T240 R241 V242 E248 V249 M358 A361	T240-Y245 HydrophobicContact CG2-CE2 3.89Å; R241-Y245 VanDerWaalsContact O-CD2 3.31Å; R241-Y245 WeakPolarHBondContact O-CD2 3.49Å; V242-Y245 PolarHBondContact O-N 3.32Å; V242-Y245 VanDerWaalsContact O-N 3.08Å; Y245-E248 VanDerWaalsContact C-OE2 3.3Å; Y245-E248 VanDerWaalsContact CA-OE2 3.3Å; Y245-E248 WeakPolarHBondContact CA-OE2 3.48Å; Y245-E248 HydrophobicContact CD1-CG 4.34Å; Y245-E248 WeakPolarHBondContact O-CB 3.28Å; Y245-E248 PolarHBondContact O-N 3.48Å; Y245-V249 WeakPolarHBondContact O-CG2 3.33Å; Y245-V249 PolarHBondContact O-N 2.9Å; Y245-M358 HydrophobicContact CD1-CG 4.12Å; Y245-M358 HydrophobicContact CD2-CG 3.97Å; Y245-M358 HydrophobicContact CD2-SD 4.19Å; Y245-M358 HydrophobicContact CE2-CG 4.49Å; Y245-M358 HydrophobicContact CG-CG 3.78Å; Y245-A361 HydrophobicContact CD1-CB 4.4Å; Y245-A361 HydrophobicContact CE1-CB 4.07Å
246	V	96.8	Very high	97.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-41.4	-178	-177.7	0	0	0	0	113.4	V242 E248 V249 I250 W330 W340 P349	V242-V246 WeakPolarHBondContact O-CG2 3.21Å; V246-E248 VanDerWaalsContact C-N 3.31Å; V246-E248 PolarHBondContact O-N 2.71Å; V246-V249 WeakPolarHBondContact O-CB 3.38Å; V246-V249 PolarHBondContact O-N 3.37Å; V246-I250 HydrophobicContact CG1-CD1 4.27Å; V246-I250 WeakPolarHBondContact O-CG1 3.06Å; V246-I250 PolarHBondContact O-N 2.9Å; V246-W330 HydrophobicContact CG1-CH2 3.87Å; V246-W330 HydrophobicContact CG1-CZ3 3.9Å; V246-W340 HydrophobicContact CB-CD2 4.44Å; V246-W340 HydrophobicContact CB-CG 4.17Å; V246-W340 HydrophobicContact CG1-CB 3.71Å; V246-W340 HydrophobicContact CG1-CD2 4.04Å; V246-W340 HydrophobicContact CG1-CG 3.59Å; V246-W340 HydrophobicContact CG2-CD2 4.02Å; V246-W340 HydrophobicContact CG2-CG 4.28Å; V246-W340 HydrophobicContact CG2-CZ2 4.29Å; V246-P349 HydrophobicContact CG1-CG 4.5Å; V246-P349 HydrophobicContact CG2-CG 4.18Å
247	P	97.1	Very high	97.6	Very high	79 Å²	79	45 Å²	45	51%	0.513	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-39.7	174.8	-24.5	35.8	0	0	0	113.4	I250 T251	P247-I250 PolarHBondContact O-N 2.95Å; P247-T251 PolarHBondContact O-N 3.08Å; P247-T251 VanDerWaalsContact O-N 3.09Å; P247-T251 PolarHBondContact O-OG1 3.42Å
248	E	98.1	Very high	97.6	Very high	85 Å²	85	44.3 Å²	44.3	40%	0.397	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-42.9	175.6	-67.9	76.6	-177.6	0	0	110.2	Y245 V246 I250 T251 Y252 V357	Y245-E248 VanDerWaalsContact C-OE2 3.3Å; Y245-E248 VanDerWaalsContact CA-OE2 3.3Å; Y245-E248 WeakPolarHBondContact CA-OE2 3.48Å; Y245-E248 HydrophobicContact CD1-CG 4.34Å; Y245-E248 WeakPolarHBondContact O-CB 3.28Å; Y245-E248 PolarHBondContact O-N 3.48Å; V246-E248 VanDerWaalsContact C-N 3.31Å; V246-E248 PolarHBondContact O-N 2.71Å; E248-I250 PolarHBondContact O-N 2.67Å; E248-T251 PolarHBondContact O-N 2.96Å; E248-Y252 VanDerWaalsContact O-CB 3.31Å; E248-Y252 WeakPolarHBondContact O-CB 3.24Å; E248-Y252 PolarHBondContact O-N 3.05Å; E248-V357 HydrophobicContact CB-CG1 3.66Å
249	V	97.9	Very high	97.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-56.4	-49.6	174.7	170.6	0	0	0	0	110.7	Y245 V246 T251 Y252 V253 W330 P349 I353 V357	Y245-V249 WeakPolarHBondContact O-CG2 3.33Å; Y245-V249 PolarHBondContact O-N 2.9Å; V246-V249 WeakPolarHBondContact O-CB 3.38Å; V246-V249 PolarHBondContact O-N 3.37Å; V249-T251 VanDerWaalsContact C-N 3.3Å; V249-T251 PolarHBondContact O-N 3.13Å; V249-Y252 WeakPolarHBondContact O-CB 3.43Å; V249-Y252 PolarHBondContact O-N 3.32Å; V249-Y252 VanDerWaalsContact O-N 3.16Å; V249-V253 HydrophobicContact CG1-CG2 4.32Å; V249-V253 VanDerWaalsContact O-CG2 3.32Å; V249-V253 WeakPolarHBondContact O-CG2 3.44Å; V249-V253 PolarHBondContact O-N 2.81Å; V249-W330 HydrophobicContact CG1-CE3 4.41Å; V249-P349 HydrophobicContact CB-CG 4.43Å; V249-P349 HydrophobicContact CG1-CB 4.13Å; V249-P349 HydrophobicContact CG1-CG 4.1Å; V249-P349 HydrophobicContact CG2-CG 4.26Å; V249-I353 HydrophobicContact CG1-CG1 4.09Å; V249-I353 HydrophobicContact CG1-CG2 3.7Å; V249-V357 HydrophobicContact CB-CG2 4.39Å; V249-V357 HydrophobicContact CG2-CB 4.07Å; V249-V357 HydrophobicContact CG2-CG1 4.01Å; V249-V357 HydrophobicContact CG2-CG2 3.95Å
250	I	97.8	Very high	97.5	Very high	22 Å²	22	44.5 Å²	44.5	11%	0.113	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-46.2	179	-67.4	166.2	0	0	0	110.3	V246 P247 E248 Y252 V253 K254 W330 W344	V246-I250 HydrophobicContact CG1-CD1 4.27Å; V246-I250 WeakPolarHBondContact O-CG1 3.06Å; V246-I250 PolarHBondContact O-N 2.9Å; P247-I250 PolarHBondContact O-N 2.95Å; E248-I250 PolarHBondContact O-N 2.67Å; I250-Y252 VanDerWaalsContact C-N 3.32Å; I250-Y252 PolarHBondContact O-N 3.3Å; I250-V253 PolarHBondContact O-N 3.21Å; I250-K254 WeakPolarHBondContact O-CG 3.4Å; I250-K254 PolarHBondContact O-N 2.91Å; I250-W330 HydrophobicContact CD1-CH2 3.82Å; I250-W330 HydrophobicContact CD1-CZ2 4.49Å; I250-W330 HydrophobicContact CD1-CZ3 4.16Å; I250-W330 HydrophobicContact CG1-CE3 4.24Å; I250-W330 HydrophobicContact CG1-CH2 3.8Å; I250-W330 HydrophobicContact CG1-CZ3 3.64Å; I250-W344 HydrophobicContact CG2-CH2 4.28Å; I250-W344 HydrophobicContact CG2-CZ3 4.12Å
251	T	98.1	Very high	97.5	Very high	94 Å²	94	45 Å²	45	58%	0.577	24%	0.244	S	C	*	.	H	α-helix	trans	-64	-38.2	179	-56.3	0	0	0	0	112	P247 E248 V249 K254 K255	P247-T251 PolarHBondContact O-N 3.08Å; P247-T251 VanDerWaalsContact O-N 3.09Å; P247-T251 PolarHBondContact O-OG1 3.42Å; E248-T251 PolarHBondContact O-N 2.96Å; V249-T251 VanDerWaalsContact C-N 3.3Å; V249-T251 PolarHBondContact O-N 3.13Å; T251-K254 WeakPolarHBondContact O-CB 3.32Å; T251-K254 PolarHBondContact O-N 3.31Å; T251-K255 PolarHBondContact O-N 3.36Å
252	Y	98.2	Very high	97.5	Very high	14 Å²	14	42.3 Å²	42.3	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-44	178.8	-154.5	-84	0	0	0	111.8	E248 V249 I250 K255 I256 I353 V357 S360 V388 H391	E248-Y252 VanDerWaalsContact O-CB 3.31Å; E248-Y252 WeakPolarHBondContact O-CB 3.24Å; E248-Y252 PolarHBondContact O-N 3.05Å; V249-Y252 WeakPolarHBondContact O-CB 3.43Å; V249-Y252 PolarHBondContact O-N 3.32Å; V249-Y252 VanDerWaalsContact O-N 3.16Å; I250-Y252 VanDerWaalsContact C-N 3.32Å; I250-Y252 PolarHBondContact O-N 3.3Å; Y252-K255 WeakPolarHBondContact O-CB 3.18Å; Y252-K255 PolarHBondContact O-N 3.08Å; Y252-K255 VanDerWaalsContact O-N 3.15Å; Y252-I256 HydrophobicContact CD1-CD1 3.82Å; Y252-I256 HydrophobicContact CD1-CG1 4.28Å; Y252-I256 HydrophobicContact CE1-CD1 4.01Å; Y252-I256 HydrophobicContact CE1-CG1 4.49Å; Y252-I256 WeakPolarHBondContact O-CG1 3.46Å; Y252-I256 PolarHBondContact O-N 3.13Å; Y252-I256 VanDerWaalsContact O-N 3.09Å; Y252-I353 HydrophobicContact CD1-CD1 3.87Å; Y252-I353 HydrophobicContact CE1-CD1 4.3Å; Y252-V357 HydrophobicContact CD1-CG2 3.92Å; Y252-V357 HydrophobicContact CD2-CB 4.48Å; Y252-V357 HydrophobicContact CD2-CG2 3.82Å; Y252-V357 HydrophobicContact CE2-CG2 4.46Å; Y252-V357 HydrophobicContact CG-CG2 3.51Å; Y252-S360 PolarHBondContact OH-OG 2.68Å; Y252-V388 WeakPolarHBondContact OH-CA 3.45Å; Y252-H391 HydrophobicContact CD1-CB 4.01Å; Y252-H391 AromaticContact CD1-CG 3.87Å; Y252-H391 AromaticContact CD1-ND1 3.38Å; Y252-H391 WeakPolarHBondContact CD1-ND1 3.41Å; Y252-H391 AromaticContact CD2-CE1 3.38Å; Y252-H391 WeakPolarHBondContact CD2-CE1 3.49Å; Y252-H391 AromaticContact CD2-CG 3.97Å; Y252-H391 AromaticContact CD2-ND1 3.42Å; Y252-H391 WeakPolarHBondContact CD2-ND1 3.2Å; Y252-H391 AromaticContact CD2-NE2 3.93Å; Y252-H391 HydrophobicContact CE1-CB 3.28Å; Y252-H391 AromaticContact CE1-CG 3.45Å; Y252-H391 VanDerWaalsContact CE1-CG 3.45Å; Y252-H391 AromaticContact CE1-ND1 3.49Å; Y252-H391 WeakPolarHBondContact CE1-ND1 3.44Å; Y252-H391 HydrophobicContact CE2-CB 4.2Å; Y252-H391 AromaticContact CE2-CD2 3.66Å; Y252-H391 AromaticContact CE2-CE1 3.6Å; Y252-H391 AromaticContact CE2-CG 3.55Å; Y252-H391 AromaticContact CE2-ND1 3.52Å; Y252-H391 AromaticContact CE2-NE2 3.73Å; Y252-H391 AromaticContact CG-CE1 3.69Å; Y252-H391 AromaticContact CG-ND1 3.35Å; Y252-H391 AromaticContact CZ-CD2 3.72Å; Y252-H391 AromaticContact CZ-CG 3.27Å; Y252-H391 AromaticContact CZ-ND1 3.55Å; Y252-H391 PolarHBondContact O-ND1 2.91Å; Y252-H391 WeakPolarHBondContact OH-CB 3.28Å
253	V	98.1	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-41.5	176.8	173.5	0	0	0	0	111.2	V249 I250 K255 I256 I257 V270 L329 W344 I353	V249-V253 HydrophobicContact CG1-CG2 4.32Å; V249-V253 VanDerWaalsContact O-CG2 3.32Å; V249-V253 WeakPolarHBondContact O-CG2 3.44Å; V249-V253 PolarHBondContact O-N 2.81Å; I250-V253 PolarHBondContact O-N 3.21Å; V253-K255 PolarHBondContact O-N 3.16Å; V253-I256 PolarHBondContact O-N 3.4Å; V253-I256 VanDerWaalsContact O-N 3.16Å; V253-I257 HydrophobicContact CG1-CD1 4.12Å; V253-I257 WeakPolarHBondContact O-CG1 3.37Å; V253-I257 PolarHBondContact O-N 2.95Å; V253-V270 HydrophobicContact CG1-CB 4.12Å; V253-V270 HydrophobicContact CG1-CG1 3.62Å; V253-V270 HydrophobicContact CG1-CG2 4.38Å; V253-L329 HydrophobicContact CG1-CB 4.2Å; V253-L329 HydrophobicContact CG1-CD1 4.21Å; V253-L329 HydrophobicContact CG2-CB 3.83Å; V253-L329 HydrophobicContact CG2-CD1 4.41Å; V253-W344 HydrophobicContact CB-CH2 3.81Å; V253-W344 HydrophobicContact CB-CZ3 4.33Å; V253-W344 HydrophobicContact CG1-CH2 3.5Å; V253-W344 VanDerWaalsContact CG1-CH2 3.5Å; V253-W344 HydrophobicContact CG1-CZ2 4.02Å; V253-W344 HydrophobicContact CG1-CZ3 4.03Å; V253-I353 HydrophobicContact CG2-CD1 4.34Å; V253-I353 HydrophobicContact CG2-CG1 3.9Å
254	K	97.8	Very high	97.5	Very high	81 Å²	81	43.9 Å²	43.9	35%	0.352	25%	0.248	S	C	.	.	H	α-helix	trans	-53.7	-43.5	172	-76	180	-164.1	-135	0	112.3	I250 T251 I257 S258 E343 W344	I250-K254 WeakPolarHBondContact O-CG 3.4Å; I250-K254 PolarHBondContact O-N 2.91Å; T251-K254 WeakPolarHBondContact O-CB 3.32Å; T251-K254 PolarHBondContact O-N 3.31Å; K254-I257 PolarHBondContact O-N 2.83Å; K254-S258 WeakPolarHBondContact O-CB 3.36Å; K254-S258 PolarHBondContact O-N 2.75Å; K254-E343 WeakPolarHBondContact CD-OE1 3.25Å; K254-E343 WeakPolarHBondContact CE-OE1 3.42Å; K254-E343 WeakPolarHBondContact CE-OE2 3.43Å; K254-E343 WeakPolarHBondContact CG-OE1 3.46Å; K254-E343 IonicContact NZ-OE1 2.83Å; K254-E343 PolarHBondContact NZ-OE1 2.78Å; K254-E343 IonicContact NZ-OE2 3.83Å; K254-E343 PolarHBondContact NZ-OE2 2.99Å; K254-W344 HydrophobicContact CG-CH2 3.96Å; K254-W344 HydrophobicContact CG-CZ2 3.92Å
255	K	98.3	Very high	97.3	Very high	88 Å²	88	40 Å²	40	38%	0.383	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-43.7	179.7	-177.6	59.7	-179.8	148.4	0	111.3	T251 Y252 V253 I257 S258 N259 H391	T251-K255 PolarHBondContact O-N 3.36Å; Y252-K255 WeakPolarHBondContact O-CB 3.18Å; Y252-K255 PolarHBondContact O-N 3.08Å; Y252-K255 VanDerWaalsContact O-N 3.15Å; V253-K255 PolarHBondContact O-N 3.16Å; K255-I257 PolarHBondContact O-N 3.25Å; K255-S258 WeakPolarHBondContact CA-OG 3.17Å; K255-S258 PolarHBondContact O-N 3.26Å; K255-S258 VanDerWaalsContact O-N 3.17Å; K255-S258 PolarHBondContact O-OG 2.97Å; K255-N259 WeakPolarHBondContact CE-OD1 3.33Å; K255-N259 PolarHBondContact NZ-OD1 2.84Å; K255-N259 PolarHBondContact O-N 2.97Å; K255-H391 WeakPolarHBondContact CB-ND1 3.27Å
256	I	98.2	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-44.1	175.4	-63.3	173.7	0	0	0	111	Y252 V253 S258 N259 G260 Y261 A262 F272 L329 I353 Q387 A390 H391	Y252-I256 HydrophobicContact CD1-CD1 3.82Å; Y252-I256 HydrophobicContact CD1-CG1 4.28Å; Y252-I256 HydrophobicContact CE1-CD1 4.01Å; Y252-I256 HydrophobicContact CE1-CG1 4.49Å; Y252-I256 WeakPolarHBondContact O-CG1 3.46Å; Y252-I256 PolarHBondContact O-N 3.13Å; Y252-I256 VanDerWaalsContact O-N 3.09Å; V253-I256 PolarHBondContact O-N 3.4Å; V253-I256 VanDerWaalsContact O-N 3.16Å; I256-S258 PolarHBondContact O-N 3.3Å; I256-N259 PolarHBondContact O-N 2.93Å; I256-G260 PolarHBondContact O-N 2.92Å; I256-Y261 PolarHBondContact O-N 3.45Å; I256-Y261 VanDerWaalsContact O-N 3.13Å; I256-A262 HydrophobicContact CB-CB 4.39Å; I256-A262 HydrophobicContact CG2-CB 3.62Å; I256-F272 HydrophobicContact CG2-CD2 4.17Å; I256-F272 HydrophobicContact CG2-CE2 4.18Å; I256-L329 HydrophobicContact CD1-CD1 4.16Å; I256-L329 HydrophobicContact CG2-CD1 4.13Å; I256-I353 HydrophobicContact CD1-CD1 4.09Å; I256-Q387 HydrophobicContact CD1-CB 4.39Å; I256-A390 HydrophobicContact CG1-CB 4.47Å; I256-A390 HydrophobicContact CG2-CB 4.14Å; I256-H391 HydrophobicContact CG1-CB 4.07Å
257	I	97.9	Very high	96.3	Very high	51 Å²	51	50.2 Å²	50.2	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-47.1	174.3	-66.3	164.4	0	0	0	110.4	V253 K254 K255 N259 G260 A262 V270 W344	V253-I257 HydrophobicContact CG1-CD1 4.12Å; V253-I257 WeakPolarHBondContact O-CG1 3.37Å; V253-I257 PolarHBondContact O-N 2.95Å; K254-I257 PolarHBondContact O-N 2.83Å; K255-I257 PolarHBondContact O-N 3.25Å; I257-N259 PolarHBondContact O-N 3.38Å; I257-G260 WeakPolarHBondContact O-CA 3.12Å; I257-G260 PolarHBondContact O-N 2.9Å; I257-A262 HydrophobicContact CG1-CB 3.69Å; I257-V270 HydrophobicContact CD1-CG1 3.86Å; I257-V270 HydrophobicContact CG1-CG1 4.19Å; I257-W344 HydrophobicContact CD1-CH2 4.42Å; I257-W344 HydrophobicContact CD1-CZ2 3.48Å; I257-W344 VanDerWaalsContact CD1-CZ2 3.48Å
258	S	97.9	Very high	96	Very high	86 Å²	86	47.2 Å²	47.2	60%	0.601	27%	0.267	S	S	*	.	H	α-helix	trans	-63.4	-27.4	-179.2	77	0	0	0	0	113.4	K254 K255 I256 G260	K254-S258 WeakPolarHBondContact O-CB 3.36Å; K254-S258 PolarHBondContact O-N 2.75Å; K255-S258 WeakPolarHBondContact CA-OG 3.17Å; K255-S258 PolarHBondContact O-N 3.26Å; K255-S258 VanDerWaalsContact O-N 3.17Å; K255-S258 PolarHBondContact O-OG 2.97Å; I256-S258 PolarHBondContact O-N 3.3Å; S258-G260 VanDerWaalsContact C-N 3.29Å
259	N	97.4	Very high	95.7	Very high	43 Å²	43	43.2 Å²	43.2	23%	0.23	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.5	174.8	-67.4	-6.7	0	0	0	112.5	K255 I256 I257 Y261 A390 H391	K255-N259 WeakPolarHBondContact CE-OD1 3.33Å; K255-N259 PolarHBondContact NZ-OD1 2.84Å; K255-N259 PolarHBondContact O-N 2.97Å; I256-N259 PolarHBondContact O-N 2.93Å; I257-N259 PolarHBondContact O-N 3.38Å; N259-Y261 HydrophobicContact CB-CD2 3.69Å; N259-Y261 HydrophobicContact CB-CE2 3.78Å; N259-A390 PolarHBondContact ND2-O 2.95Å; N259-H391 PolarHBondContact ND2-O 3.25Å
260	G	97.1	Very high	95.6	Very high	45 Å²	45	43.2 Å²	43.2	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	12.3	174.9	0	0	0	0	0	115.5	I256 I257 S258	I256-G260 PolarHBondContact O-N 2.92Å; I257-G260 WeakPolarHBondContact O-CA 3.12Å; I257-G260 PolarHBondContact O-N 2.9Å; S258-G260 VanDerWaalsContact C-N 3.29Å
261	Y	97.8	Very high	95.5	Very high	11 Å²	11	42.3 Å²	42.3	4%	0.043	24%	0.244	C	C	.	.	S	Bend	trans	-106.7	7.6	-174.3	-53.5	-58.1	0	0	0	114.2	I256 N259 D273 F277 N280 H283 A390 D393	I256-Y261 PolarHBondContact O-N 3.45Å; I256-Y261 VanDerWaalsContact O-N 3.13Å; N259-Y261 HydrophobicContact CB-CD2 3.69Å; N259-Y261 HydrophobicContact CB-CE2 3.78Å; Y261-D273 PolarHBondContact O-N 3.33Å; Y261-F277 HydrophobicContact CD1-CB 4.13Å; Y261-F277 AromaticContact CD1-CD2 3.99Å; Y261-F277 HydrophobicContact CD1-CD2 3.99Å; Y261-F277 HydrophobicContact CE1-CD2 4.26Å; Y261-F277 HydrophobicContact CG-CD2 4.19Å; Y261-N280 HydrophobicContact CE1-CB 4.3Å; Y261-N280 PolarHBondContact OH-ND2 3.15Å; Y261-H283 AromaticContact CZ-CD2 3.66Å; Y261-H283 AromaticContact CZ-NE2 3.73Å; Y261-H283 PolarHBondContact OH-CD2 3.47Å; Y261-H283 VanDerWaalsContact OH-CD2 3.3Å; Y261-H283 PolarHBondContact OH-NE2 2.84Å; Y261-A390 HydrophobicContact CD2-CB 3.5Å; Y261-A390 WeakPolarHBondContact CD2-O 3.46Å; Y261-A390 HydrophobicContact CE2-CB 4.28Å; Y261-A390 HydrophobicContact CG-CB 3.9Å; Y261-D393 PolarHBondContact OH-OD1 3.41Å
262	A	97.5	Very high	95.4	Very high	10 Å²	10	37.9 Å²	37.9	8%	0.083	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.3	176.7	0	0	0	0	0	111.3	I256 I257 V270 Y271 L329	I256-A262 HydrophobicContact CB-CB 4.39Å; I256-A262 HydrophobicContact CG2-CB 3.62Å; I257-A262 HydrophobicContact CG1-CB 3.69Å; A262-V270 HydrophobicContact CB-CG1 4.28Å; A262-Y271 VanDerWaalsContact CA-O 3.23Å; A262-Y271 WeakPolarHBondContact CA-O 3.5Å; A262-Y271 VanDerWaalsContact CB-O 3.29Å; A262-Y271 WeakPolarHBondContact CB-O 3.42Å; A262-L329 HydrophobicContact CB-CD1 3.69Å
263	Y	96.7	Very high	95.3	Very high	14 Å²	14	38 Å²	38	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.4	177.4	60.3	-86.2	0	0	0	111.6	V270 Y271 D273 K321 R322 D326	Y263-V270 WeakPolarHBondContact O-CA 3.16Å; Y263-V270 WeakPolarHBondContact O-CG1 3.42Å; Y263-Y271 HydrophobicContact CE2-CD2 4.1Å; Y263-Y271 PolarHBondContact N-O 2.83Å; Y263-Y271 PolarHBondContact O-N 3.38Å; Y263-D273 HydrophobicContact CD1-CB 3.89Å; Y263-D273 HydrophobicContact CE1-CB 3.99Å; Y263-K321 WeakPolarHBondContact OH-CA 3.45Å; Y263-R322 HydrophobicContact CD2-CG 4.42Å; Y263-R322 HydrophobicContact CE1-CB 4.22Å; Y263-R322 HydrophobicContact CE1-CG 4.01Å; Y263-R322 HydrophobicContact CE2-CG 3.84Å; Y263-R322 PolarHBondContact OH-N 3.3Å; Y263-D326 WeakPolarHBondContact CE1-OD2 3.31Å; Y263-D326 PolarHBondContact OH-OD2 2.8Å
264	A	95.4	Very high	95	Very high	53 Å²	53	38 Å²	38	44%	0.438	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.7	168	0	0	0	0	0	109.7	V270 W344	A264-V270 HydrophobicContact CB-CG2 4.31Å; A264-W344 HydrophobicContact CB-CG 4.48Å
265	A	92.1	Very high	94.7	Very high	16 Å²	16	38.7 Å²	38.7	13%	0.132	22%	0.221	C	C	.	.			trans	-91.1	163.7	173.1	0	0	0	0	0	111	D267 G268 S269 Y271	A265-D267 VanDerWaalsContact CB-OD1 3.27Å; A265-D267 WeakPolarHBondContact CB-OD1 3.29Å; A265-D267 PolarHBondContact O-N 3.13Å; A265-G268 PolarHBondContact O-N 3.09Å; A265-S269 PolarHBondContact N-O 2.71Å; A265-Y271 HydrophobicContact CB-CD2 3.97Å; A265-Y271 HydrophobicContact CB-CE2 3.77Å
266	E	87.8	Confident	94.6	Very high	211 Å²	211	35.6 Å²	35.6	99%	0.986	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.3	-178.3	-63.3	-177.5	177.3	0	0	113.3	G268	E266-G268 VanDerWaalsContact C-N 3.26Å; E266-G268 PolarHBondContact O-N 2.83Å
267	D	85.6	Confident	94.5	Very high	51 Å²	51	35.6 Å²	35.6	27%	0.273	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.5	179.9	73	-20.2	0	0	0	113.9	A265 S269 R317 S332	A265-D267 VanDerWaalsContact CB-OD1 3.27Å; A265-D267 WeakPolarHBondContact CB-OD1 3.29Å; A265-D267 PolarHBondContact O-N 3.13Å; D267-S269 VanDerWaalsContact C-N 3.29Å; D267-S269 PolarHBondContact O-N 3.26Å; D267-S269 VanDerWaalsContact OD1-CB 3.23Å; D267-S269 WeakPolarHBondContact OD1-CB 3.3Å; D267-S269 PolarHBondContact OD1-N 2.82Å; D267-S269 PolarHBondContact OD1-OG 2.97Å; D267-S269 PolarHBondContact OD2-OG 3.49Å; D267-S269 VanDerWaalsContact OD2-OG 3.08Å; D267-R317 IonicContact OD2-NE 3.46Å; D267-S332 WeakPolarHBondContact O-CB 3.21Å; D267-S332 PolarHBondContact O-OG 3.36Å
268	G	89.8	Confident	94.1	Very high	16 Å²	16	36.9 Å²	36.9	17%	0.165	22%	0.217	C	C	.	.	S	Bend	trans	80.7	2.1	-177	0	0	0	0	0	114.8	A265 E266 W344	A265-G268 PolarHBondContact O-N 3.09Å; E266-G268 VanDerWaalsContact C-N 3.26Å; E266-G268 PolarHBondContact O-N 2.83Å; G268-W344 WeakPolarHBondContact CA-O 3.41Å; G268-W344 WeakPolarHBondContact O-CB 3.45Å
269	S	92.9	Very high	93.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	22%	0.223	C	C	.	.			trans	-81.2	157.7	171.3	-54.2	0	0	0	0	110.7	A265 D267 W330 S332	A265-S269 PolarHBondContact N-O 2.71Å; D267-S269 VanDerWaalsContact C-N 3.29Å; D267-S269 PolarHBondContact O-N 3.26Å; D267-S269 VanDerWaalsContact OD1-CB 3.23Å; D267-S269 WeakPolarHBondContact OD1-CB 3.3Å; D267-S269 PolarHBondContact OD1-N 2.82Å; D267-S269 PolarHBondContact OD1-OG 2.97Å; D267-S269 PolarHBondContact OD2-OG 3.49Å; D267-S269 VanDerWaalsContact OD2-OG 3.08Å; S269-W330 CarbonylContact C-O 3.49Å; S269-W330 VanDerWaalsContact CA-O 3.31Å; S269-W330 WeakPolarHBondContact CA-O 3.06Å; S269-W330 WeakPolarHBondContact CB-O 3.13Å; S269-S332 PolarHBondContact OG-N 3.09Å; S269-S332 PolarHBondContact OG-OG 2.78Å
270	V	95.9	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.4	172.5	-176.4	0	0	0	0	108.8	V253 I257 A262 Y263 A264 L329 W330 W344	V253-V270 HydrophobicContact CG1-CB 4.12Å; V253-V270 HydrophobicContact CG1-CG1 3.62Å; V253-V270 HydrophobicContact CG1-CG2 4.38Å; I257-V270 HydrophobicContact CD1-CG1 3.86Å; I257-V270 HydrophobicContact CG1-CG1 4.19Å; A262-V270 HydrophobicContact CB-CG1 4.28Å; Y263-V270 WeakPolarHBondContact O-CA 3.16Å; Y263-V270 WeakPolarHBondContact O-CG1 3.42Å; A264-V270 HydrophobicContact CB-CG2 4.31Å; V270-L329 HydrophobicContact CG1-CB 4.5Å; V270-L329 HydrophobicContact CG1-CD1 4.49Å; V270-L329 PolarHBondContact O-N 2.94Å; V270-W330 HydrophobicContact CB-CB 3.88Å; V270-W330 HydrophobicContact CG2-CB 4Å; V270-W330 PolarHBondContact N-O 3.27Å; V270-W330 PolarHBondContact O-N 3.41Å; V270-W330 VanDerWaalsContact O-N 3.12Å; V270-W344 HydrophobicContact CG2-CB 4.35Å; V270-W344 HydrophobicContact CG2-CD2 3.34Å; V270-W344 HydrophobicContact CG2-CE3 3.67Å; V270-W344 HydrophobicContact CG2-CG 3.64Å; V270-W344 HydrophobicContact CG2-CH2 4.44Å; V270-W344 HydrophobicContact CG2-CZ2 4.17Å; V270-W344 HydrophobicContact CG2-CZ3 4.2Å
271	Y	95.4	Very high	93.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.4	-179.3	-62.5	-81.7	0	0	0	111.2	A262 Y263 A265 S320 K321 F327 A328	A262-Y271 VanDerWaalsContact CA-O 3.23Å; A262-Y271 WeakPolarHBondContact CA-O 3.5Å; A262-Y271 VanDerWaalsContact CB-O 3.29Å; A262-Y271 WeakPolarHBondContact CB-O 3.42Å; Y263-Y271 HydrophobicContact CE2-CD2 4.1Å; Y263-Y271 PolarHBondContact N-O 2.83Å; Y263-Y271 PolarHBondContact O-N 3.38Å; A265-Y271 HydrophobicContact CB-CD2 3.97Å; A265-Y271 HydrophobicContact CB-CE2 3.77Å; Y271-S320 PolarHBondContact OH-OG 3.07Å; Y271-K321 HydrophobicContact CD1-CD 4.4Å; Y271-K321 HydrophobicContact CD1-CG 4.04Å; Y271-K321 HydrophobicContact CE1-CD 4.26Å; Y271-K321 VanDerWaalsContact CE1-CE 3.44Å; Y271-K321 HydrophobicContact CE1-CG 3.89Å; Y271-K321 HydrophobicContact CE2-CG 4.36Å; Y271-K321 HydrophobicContact CG-CG 4.36Å; Y271-F327 WeakPolarHBondContact CA-O 3.43Å; Y271-A328 HydrophobicContact CD1-CB 4.1Å; Y271-A328 HydrophobicContact CE1-CB 3.96Å
272	F	96.4	Very high	93.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.3	169.4	-169.3	-88.6	0	0	0	109.7	I256 T274 F277 D326 F327 L329 A386 Q387 A390	I256-F272 HydrophobicContact CG2-CD2 4.17Å; I256-F272 HydrophobicContact CG2-CE2 4.18Å; F272-T274 HydrophobicContact CD1-CG2 4.05Å; F272-T274 PolarHBondContact O-N 3.5Å; F272-F277 HydrophobicContact CE1-CB 3.7Å; F272-F277 HydrophobicContact CE1-CD1 4.31Å; F272-F277 HydrophobicContact CE1-CD2 4.36Å; F272-F277 AromaticContact CE1-CG 3.9Å; F272-F277 HydrophobicContact CE1-CG 3.9Å; F272-F277 HydrophobicContact CZ-CB 3.88Å; F272-F277 HydrophobicContact CZ-CD1 4.3Å; F272-F277 AromaticContact CZ-CD2 3.71Å; F272-F277 HydrophobicContact CZ-CD2 3.71Å; F272-F277 HydrophobicContact CZ-CE2 4.28Å; F272-F277 AromaticContact CZ-CG 3.71Å; F272-F277 HydrophobicContact CZ-CG 3.71Å; F272-D326 WeakPolarHBondContact O-CA 3.43Å; F272-D326 WeakPolarHBondContact O-CB 3.44Å; F272-D326 VanDerWaalsContact O-OD1 3.12Å; F272-F327 HydrophobicContact CB-CD1 4.25Å; F272-F327 HydrophobicContact CB-CD2 3.97Å; F272-F327 HydrophobicContact CB-CE1 3.89Å; F272-F327 HydrophobicContact CB-CE2 3.59Å; F272-F327 HydrophobicContact CB-CG 4.29Å; F272-F327 HydrophobicContact CB-CZ 3.55Å; F272-F327 AromaticContact CD1-CE1 3.6Å; F272-F327 HydrophobicContact CD1-CE1 3.6Å; F272-F327 HydrophobicContact CD1-CE2 4.44Å; F272-F327 AromaticContact CD1-CZ 3.55Å; F272-F327 HydrophobicContact CD1-CZ 3.55Å; F272-F327 HydrophobicContact CD2-CE2 4.33Å; F272-F327 AromaticContact CD2-CZ 4Å; F272-F327 HydrophobicContact CD2-CZ 4Å; F272-F327 HydrophobicContact CE1-CE1 4.35Å; F272-F327 HydrophobicContact CE1-CZ 4.22Å; F272-F327 AromaticContact CG-CE1 3.87Å; F272-F327 HydrophobicContact CG-CE1 3.87Å; F272-F327 AromaticContact CG-CE2 3.89Å; F272-F327 HydrophobicContact CG-CE2 3.89Å; F272-F327 AromaticContact CG-CZ 3.42Å; F272-F327 HydrophobicContact CG-CZ 3.42Å; F272-F327 VanDerWaalsContact CG-CZ 3.42Å; F272-F327 PolarHBondContact N-O 2.98Å; F272-L329 HydrophobicContact CB-CD1 4.29Å; F272-L329 HydrophobicContact CB-CD2 4Å; F272-L329 HydrophobicContact CB-CG 4.07Å; F272-L329 HydrophobicContact CD2-CD1 4.26Å; F272-L329 HydrophobicContact CD2-CD2 4.24Å; F272-A386 HydrophobicContact CE1-CB 4.01Å; F272-A386 HydrophobicContact CE2-CB 4.41Å; F272-A386 HydrophobicContact CZ-CB 3.75Å; F272-Q387 HydrophobicContact CD2-CG 4.39Å; F272-A390 HydrophobicContact CE2-CB 3.62Å; F272-A390 HydrophobicContact CZ-CB 3.98Å
273	D	95.4	Very high	93.3	Very high	17 Å²	17	49 Å²	49	9%	0.091	26%	0.26	C	S	.	.			trans	-90.6	91.7	-179.6	-162.8	-40.4	0	0	0	109.6	Y261 Y263 K275 A276 F277 R322	Y261-D273 PolarHBondContact O-N 3.33Å; Y263-D273 HydrophobicContact CD1-CB 3.89Å; Y263-D273 HydrophobicContact CE1-CB 3.99Å; D273-K275 PolarHBondContact O-N 3.31Å; D273-K275 PolarHBondContact OD1-N 3.34Å; D273-A276 HydrophobicContact CB-CB 3.84Å; D273-A276 PolarHBondContact O-N 3.21Å; D273-A276 WeakPolarHBondContact OD1-CB 3.33Å; D273-A276 PolarHBondContact OD1-N 2.97Å; D273-F277 PolarHBondContact O-N 3.41Å; D273-R322 IonicContact OD2-NH1 3.99Å; D273-R322 PolarHBondContact OD2-NH1 2.96Å
274	T	92.3	Very high	93.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-35.1	-177	50.2	0	0	0	0	112.3	F272 E278 Y285 N325 D326 F327	F272-T274 HydrophobicContact CD1-CG2 4.05Å; F272-T274 PolarHBondContact O-N 3.5Å; T274-E278 WeakPolarHBondContact O-CB 3.45Å; T274-E278 PolarHBondContact O-N 3.41Å; T274-Y285 HydrophobicContact CG2-CD1 4.41Å; T274-Y285 HydrophobicContact CG2-CE1 4.02Å; T274-Y285 HydrophobicContact CG2-CE2 4.23Å; T274-N325 HydrophobicContact CG2-CB 4.36Å; T274-N325 WeakPolarHBondContact CG2-O 3.22Å; T274-D326 PolarHBondContact N-OD1 3.17Å; T274-D326 PolarHBondContact OG1-OD1 2.85Å; T274-F327 HydrophobicContact CG2-CD1 4.23Å; T274-F327 HydrophobicContact CG2-CE1 4.03Å
275	K	92.1	Very high	92.9	Very high	96 Å²	96	50.9 Å²	50.9	42%	0.417	26%	0.259	S	S	.	.	H	α-helix	trans	-70.2	-44.4	178.4	-69.7	-174.5	175.4	-176.7	0	111.8	D273 F277 E278 Q279	D273-K275 PolarHBondContact O-N 3.31Å; D273-K275 PolarHBondContact OD1-N 3.34Å; K275-F277 VanDerWaalsContact C-N 3.3Å; K275-F277 PolarHBondContact O-N 3.04Å; K275-E278 PolarHBondContact O-N 3.39Å; K275-Q279 WeakPolarHBondContact O-CB 3.37Å; K275-Q279 VanDerWaalsContact O-CG 3.22Å; K275-Q279 WeakPolarHBondContact O-CG 3.27Å; K275-Q279 PolarHBondContact O-N 2.84Å
276	A	95	Very high	92.9	Very high	23 Å²	23	50.1 Å²	50.1	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-38.4	177.1	0	0	0	0	0	111.8	D273	D273-A276 HydrophobicContact CB-CB 3.84Å; D273-A276 PolarHBondContact O-N 3.21Å; D273-A276 WeakPolarHBondContact OD1-CB 3.33Å; D273-A276 PolarHBondContact OD1-N 2.97Å
277	F	95.3	Very high	93.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-48.7	175.3	-173.6	-106.1	0	0	0	111.8	Y261 F272 D273 K275 Q279 N280 H283 A386 E389 A390	Y261-F277 HydrophobicContact CD1-CB 4.13Å; Y261-F277 AromaticContact CD1-CD2 3.99Å; Y261-F277 HydrophobicContact CD1-CD2 3.99Å; Y261-F277 HydrophobicContact CE1-CD2 4.26Å; Y261-F277 HydrophobicContact CG-CD2 4.19Å; F272-F277 HydrophobicContact CE1-CB 3.7Å; F272-F277 HydrophobicContact CE1-CD1 4.31Å; F272-F277 HydrophobicContact CE1-CD2 4.36Å; F272-F277 AromaticContact CE1-CG 3.9Å; F272-F277 HydrophobicContact CE1-CG 3.9Å; F272-F277 HydrophobicContact CZ-CB 3.88Å; F272-F277 HydrophobicContact CZ-CD1 4.3Å; F272-F277 AromaticContact CZ-CD2 3.71Å; F272-F277 HydrophobicContact CZ-CD2 3.71Å; F272-F277 HydrophobicContact CZ-CE2 4.28Å; F272-F277 AromaticContact CZ-CG 3.71Å; F272-F277 HydrophobicContact CZ-CG 3.71Å; D273-F277 PolarHBondContact O-N 3.41Å; K275-F277 VanDerWaalsContact C-N 3.3Å; K275-F277 PolarHBondContact O-N 3.04Å; F277-Q279 VanDerWaalsContact C-N 3.33Å; F277-Q279 PolarHBondContact O-N 3.12Å; F277-N280 PolarHBondContact O-N 2.97Å; F277-H283 HydrophobicContact CD1-CB 4Å; F277-H283 HydrophobicContact CD2-CB 3.9Å; F277-H283 AromaticContact CD2-CD2 3.9Å; F277-H283 AromaticContact CD2-CG 3.86Å; F277-H283 HydrophobicContact CE1-CB 3.7Å; F277-H283 HydrophobicContact CE2-CB 3.59Å; F277-H283 AromaticContact CE2-CD2 3.68Å; F277-H283 AromaticContact CE2-CG 3.34Å; F277-H283 AromaticContact CE2-ND1 3.65Å; F277-H283 HydrophobicContact CG-CB 4.11Å; F277-H283 HydrophobicContact CZ-CB 3.49Å; F277-H283 VanDerWaalsContact CZ-CB 3.49Å; F277-H283 AromaticContact CZ-CG 3.63Å; F277-H283 AromaticContact CZ-ND1 3.8Å; F277-H283 WeakPolarHBondContact O-CB 3.29Å; F277-A386 HydrophobicContact CD1-CB 4.41Å; F277-A386 HydrophobicContact CE1-CB 3.97Å; F277-A386 HydrophobicContact CZ-CB 4.17Å; F277-E389 HydrophobicContact CE2-CB 4.24Å; F277-E389 HydrophobicContact CZ-CB 4.05Å; F277-A390 HydrophobicContact CD2-CB 4.06Å; F277-A390 HydrophobicContact CE2-CB 3.95Å
278	E	91.5	Very high	93.4	Very high	78 Å²	78	40 Å²	40	36%	0.364	20%	0.203	S	C	.	.	H	α-helix	trans	-68.6	-27.5	-180	-172.1	173.2	-147.7	0	0	113.7	T274 K275 N280 Y293	T274-E278 WeakPolarHBondContact O-CB 3.45Å; T274-E278 PolarHBondContact O-N 3.41Å; K275-E278 PolarHBondContact O-N 3.39Å; E278-N280 PolarHBondContact O-N 2.66Å; E278-Y293 VanDerWaalsContact OE1-CE1 3.32Å; E278-Y293 WeakPolarHBondContact OE1-CE1 3.15Å; E278-Y293 WeakPolarHBondContact OE2-CE1 3.33Å; E278-Y293 PolarHBondContact OE2-OH 2.75Å
279	Q	93.2	Very high	93.4	Very high	158 Å²	158	40.3 Å²	40.3	74%	0.738	20%	0.202	S	C	*	.	H	α-helix	trans	-66.9	-22	174.5	-79	173.8	11.3	0	0	113.2	K275 F277	K275-Q279 WeakPolarHBondContact O-CB 3.37Å; K275-Q279 VanDerWaalsContact O-CG 3.22Å; K275-Q279 WeakPolarHBondContact O-CG 3.27Å; K275-Q279 PolarHBondContact O-N 2.84Å; F277-Q279 VanDerWaalsContact C-N 3.33Å; F277-Q279 PolarHBondContact O-N 3.12Å
280	N	93.9	Very high	93.2	Very high	38 Å²	38	43 Å²	43	20%	0.203	22%	0.219	C	C	.	.	S	Bend	trans	-81.8	120.3	175.5	-171.5	-31	0	0	0	109.9	Y261 F277 E278 K282 H283	Y261-N280 HydrophobicContact CE1-CB 4.3Å; Y261-N280 PolarHBondContact OH-ND2 3.15Å; F277-N280 PolarHBondContact O-N 2.97Å; E278-N280 PolarHBondContact O-N 2.66Å; N280-K282 PolarHBondContact O-N 3.18Å; N280-K282 WeakPolarHBondContact OD1-CB 3.23Å; N280-K282 WeakPolarHBondContact OD1-CG 3.37Å; N280-K282 PolarHBondContact OD1-N 2.98Å; N280-H283 PolarHBondContact O-N 3.15Å
281	P	93.6	Very high	92.7	Very high	132 Å²	132	48.7 Å²	48.7	86%	0.857	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.1	-176.8	27.4	-37.2	0	0	0	114.7	H283	P281-H283 VanDerWaalsContact C-N 3.32Å
282	K	93.6	Very high	91.8	Very high	109 Å²	109	49.1 Å²	49.1	47%	0.474	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-31	172.3	-65.3	-178.9	-177.5	-178.9	0	112.3	N280 D393 P395	N280-K282 PolarHBondContact O-N 3.18Å; N280-K282 WeakPolarHBondContact OD1-CB 3.23Å; N280-K282 WeakPolarHBondContact OD1-CG 3.37Å; N280-K282 PolarHBondContact OD1-N 2.98Å; K282-D393 IonicContact NZ-OD2 2.65Å; K282-D393 PolarHBondContact NZ-OD2 2.79Å; K282-P395 WeakPolarHBondContact O-CB 3.42Å; K282-P395 WeakPolarHBondContact O-CG 3.29Å
283	H	95.1	Very high	90.8	Very high	11 Å²	11	52.1 Å²	52.1	5%	0.051	26%	0.262	C	S	.	.			trans	-111.7	151.3	-161.4	-67.4	-44.2	0	0	0	111	Y261 F277 N280 P281 E389 D393	Y261-H283 AromaticContact CZ-CD2 3.66Å; Y261-H283 AromaticContact CZ-NE2 3.73Å; Y261-H283 PolarHBondContact OH-CD2 3.47Å; Y261-H283 VanDerWaalsContact OH-CD2 3.3Å; Y261-H283 PolarHBondContact OH-NE2 2.84Å; F277-H283 HydrophobicContact CD1-CB 4Å; F277-H283 HydrophobicContact CD2-CB 3.9Å; F277-H283 AromaticContact CD2-CD2 3.9Å; F277-H283 AromaticContact CD2-CG 3.86Å; F277-H283 HydrophobicContact CE1-CB 3.7Å; F277-H283 HydrophobicContact CE2-CB 3.59Å; F277-H283 AromaticContact CE2-CD2 3.68Å; F277-H283 AromaticContact CE2-CG 3.34Å; F277-H283 AromaticContact CE2-ND1 3.65Å; F277-H283 HydrophobicContact CG-CB 4.11Å; F277-H283 HydrophobicContact CZ-CB 3.49Å; F277-H283 VanDerWaalsContact CZ-CB 3.49Å; F277-H283 AromaticContact CZ-CG 3.63Å; F277-H283 AromaticContact CZ-ND1 3.8Å; F277-H283 WeakPolarHBondContact O-CB 3.29Å; N280-H283 PolarHBondContact O-N 3.15Å; P281-H283 VanDerWaalsContact C-N 3.32Å; H283-E389 IonicContact ND1-OE2 3.64Å; H283-D393 IonicContact CD2-OD1 3.07Å; H283-D393 IonicContact CE1-OD1 2.88Å; H283-D393 IonicContact NE2-OD1 2.97Å; H283-D393 PolarHBondContact NE2-OD1 3.39Å
284	F	92.7	Very high	89.3	Confident	105 Å²	105	52.7 Å²	52.7	46%	0.461	27%	0.272	S	S	.	.			trans	-143.3	122.7	177.3	-175.5	-85.1	0	0	0	108	K287 P290	F284-K287 HydrophobicContact CB-CG 4.19Å; F284-K287 HydrophobicContact CD1-CB 4.46Å; F284-K287 HydrophobicContact CD1-CG 3.72Å; F284-K287 HydrophobicContact CG-CG 4.42Å; F284-K287 WeakPolarHBondContact O-CE 3.38Å; F284-K287 VanDerWaalsContact O-CG 3.3Å; F284-K287 WeakPolarHBondContact O-CG 3.25Å; F284-P290 HydrophobicContact CE1-CB 4.44Å; F284-P290 HydrophobicContact CE1-CG 4.39Å
285	Y	92.4	Very high	87.5	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.008	31%	0.309	C	S	.	.	S	Bend	trans	-86.1	149.1	178.7	-175.5	-114.2	0	0	0	111	T274 Y293 M304 F327 N383 A386	T274-Y285 HydrophobicContact CG2-CD1 4.41Å; T274-Y285 HydrophobicContact CG2-CE1 4.02Å; T274-Y285 HydrophobicContact CG2-CE2 4.23Å; Y285-Y293 AromaticContact CD1-CD2 3.66Å; Y285-Y293 HydrophobicContact CD1-CD2 3.66Å; Y285-Y293 AromaticContact CD1-CE2 3.57Å; Y285-Y293 HydrophobicContact CD1-CE2 3.57Å; Y285-Y293 AromaticContact CE1-CD2 3.94Å; Y285-Y293 HydrophobicContact CE1-CD2 3.94Å; Y285-Y293 AromaticContact CE1-CE2 3.99Å; Y285-Y293 HydrophobicContact CE1-CE2 3.99Å; Y285-M304 HydrophobicContact CE1-CE 4.33Å; Y285-M304 WeakPolarHBondContact OH-CE 3.45Å; Y285-F327 AromaticContact CE2-CE1 3.73Å; Y285-F327 HydrophobicContact CE2-CE1 3.73Å; Y285-F327 HydrophobicContact CE2-CZ 4.46Å; Y285-F327 AromaticContact CZ-CE1 3.96Å; Y285-F327 WeakPolarHBondContact OH-CE1 3.13Å; Y285-N383 PolarHBondContact OH-OD1 3.1Å; Y285-A386 HydrophobicContact CD2-CB 3.77Å; Y285-A386 HydrophobicContact CE2-CB 4.01Å
286	A	90.6	Very high	85.7	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.008	33%	0.332	C	S	.	.			trans	59.4	48.6	-175.2	0	0	0	0	0	113.9	L288 V289 P290 F378 D382	A286-L288 VanDerWaalsContact C-N 3.35Å; A286-L288 PolarHBondContact O-N 2.84Å; A286-V289 CarbonylContact O-C 3.18Å; A286-P290 VanDerWaalsContact O-CA 3.24Å; A286-P290 WeakPolarHBondContact O-CA 3.33Å; A286-P290 WeakPolarHBondContact O-CD 3.48Å; A286-P290 WeakPolarHBondContact O-CG 3.22Å; A286-P290 VanDerWaalsContact O-N 3.08Å; A286-F378 HydrophobicContact CB-CE2 4.4Å; A286-D382 VanDerWaalsContact CA-CG 3.5Å; A286-D382 VanDerWaalsContact CA-OD1 3.25Å; A286-D382 WeakPolarHBondContact CA-OD1 3.18Å
287	K	92.6	Very high	84.1	Confident	45 Å²	45	64.5 Å²	64.5	20%	0.196	33%	0.333	C	S	.	.	S	Bend	trans	-62.5	-35.5	179.1	-69.7	-173.4	-174.1	173.7	0	113.4	L35 F284 D382 I385 E389 P395	L35-K287 HydrophobicContact CD1-CB 3.89Å; F284-K287 HydrophobicContact CB-CG 4.19Å; F284-K287 HydrophobicContact CD1-CB 4.46Å; F284-K287 HydrophobicContact CD1-CG 3.72Å; F284-K287 HydrophobicContact CG-CG 4.42Å; F284-K287 WeakPolarHBondContact O-CE 3.38Å; F284-K287 VanDerWaalsContact O-CG 3.3Å; F284-K287 WeakPolarHBondContact O-CG 3.25Å; K287-D382 PolarHBondContact N-OD1 2.62Å; K287-I385 HydrophobicContact CD-CG2 4.02Å; K287-E389 WeakPolarHBondContact CE-OE2 3.32Å; K287-E389 IonicContact NZ-OE1 3.38Å; K287-E389 PolarHBondContact NZ-OE1 3.3Å; K287-E389 IonicContact NZ-OE2 2.7Å; K287-E389 PolarHBondContact NZ-OE2 2.71Å; K287-P395 PolarHBondContact NZ-O 2.72Å
288	L	91.9	Very high	82.6	Confident	4 Å²	4	72.5 Å²	72.5	2%	0.021	37%	0.371	C	S	.	.	S	Bend	trans	-78.6	-43.3	-178	-73.3	167	0	0	0	111.7	L35 R37 A286 P290 H381 D382 I385 F401	L35-L288 HydrophobicContact CB-CD2 4.09Å; L35-L288 HydrophobicContact CD1-CD2 4.03Å; L35-L288 HydrophobicContact CD1-CG 4.41Å; R37-L288 PolarHBondContact NH2-O 2.88Å; R37-L288 VanDerWaalsContact NH2-O 3.1Å; A286-L288 VanDerWaalsContact C-N 3.35Å; A286-L288 PolarHBondContact O-N 2.84Å; L288-P290 VanDerWaalsContact C-CD 3.46Å; L288-H381 HydrophobicContact CD1-CB 3.55Å; L288-D382 WeakPolarHBondContact CB-OD1 3.46Å; L288-D382 WeakPolarHBondContact CB-OD2 3.44Å; L288-D382 PolarHBondContact N-OD1 2.95Å; L288-I385 HydrophobicContact CD1-CD1 3.65Å; L288-I385 HydrophobicContact CG-CD1 3.72Å; L288-F401 HydrophobicContact CD1-CD1 4Å; L288-F401 HydrophobicContact CD1-CE1 4.02Å; L288-F401 HydrophobicContact CD1-CG 4.35Å; L288-F401 HydrophobicContact CD1-CZ 4.38Å; L288-F401 HydrophobicContact CD2-CB 3.94Å; L288-F401 HydrophobicContact CD2-CD1 4.26Å; L288-F401 HydrophobicContact CD2-CD2 3.85Å; L288-F401 HydrophobicContact CD2-CE2 4.38Å; L288-F401 HydrophobicContact CD2-CG 3.77Å
289	V	90.3	Very high	81.3	Confident	23 Å²	23	75.3 Å²	75.3	14%	0.139	38%	0.384	C	S	.	.			trans	-126.5	69.8	-178.8	-162.7	0	0	0	0	111	A286 E291 A292 K377 F378 D382	A286-V289 CarbonylContact O-C 3.18Å; V289-E291 HydrophobicContact CG1-CG 3.95Å; V289-E291 PolarHBondContact O-N 2.93Å; V289-E291 VanDerWaalsContact O-N 3.15Å; V289-A292 HydrophobicContact CB-CB 4.15Å; V289-A292 HydrophobicContact CG1-CB 3.76Å; V289-A292 VanDerWaalsContact O-CB 3.31Å; V289-A292 WeakPolarHBondContact O-CB 3.32Å; V289-A292 PolarHBondContact O-N 3.27Å; V289-K377 HydrophobicContact CG2-CB 3.84Å; V289-F378 HydrophobicContact CB-CB 4.02Å; V289-F378 HydrophobicContact CB-CD2 4.47Å; V289-F378 HydrophobicContact CB-CG 4.49Å; V289-F378 HydrophobicContact CG2-CB 3.8Å; V289-D382 PolarHBondContact N-OD2 3.3Å; V289-D382 VanDerWaalsContact N-OD2 3.09Å
290	P	88.5	Confident	80.1	Confident	56 Å²	56	67.9 Å²	67.9	36%	0.364	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-57.6	-32.2	-179.2	-24.3	33.2	0	0	0	113.5	F284 A286 L288 A292 Y293	F284-P290 HydrophobicContact CE1-CB 4.44Å; F284-P290 HydrophobicContact CE1-CG 4.39Å; A286-P290 VanDerWaalsContact O-CA 3.24Å; A286-P290 WeakPolarHBondContact O-CA 3.33Å; A286-P290 WeakPolarHBondContact O-CD 3.48Å; A286-P290 WeakPolarHBondContact O-CG 3.22Å; A286-P290 VanDerWaalsContact O-N 3.08Å; L288-P290 VanDerWaalsContact C-CD 3.46Å; P290-A292 PolarHBondContact O-N 3.02Å; P290-Y293 WeakPolarHBondContact O-CB 3.25Å; P290-Y293 PolarHBondContact O-N 2.59Å; P290-Y293 VanDerWaalsContact O-N 3.08Å
291	E	84.6	Confident	78.8	Confident	120 Å²	120	69.9 Å²	69.9	56%	0.561	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67.8	-14.8	177.3	65.3	-92.5	-135.4	0	0	114.1	R37 V289 Y293	R37-E291 IonicContact CZ-OE1 3Å; R37-E291 VanDerWaalsContact CZ-OE1 3.3Å; R37-E291 IonicContact CZ-OE2 3.73Å; R37-E291 IonicContact NH1-OE1 3.25Å; R37-E291 PolarHBondContact NH1-OE1 3.44Å; R37-E291 IonicContact NH1-OE2 3.68Å; R37-E291 IonicContact NH2-OE1 3.27Å; R37-E291 PolarHBondContact NH2-OE1 3.36Å; R37-E291 IonicContact NH2-OE2 3.03Å; R37-E291 PolarHBondContact NH2-OE2 2.81Å; V289-E291 HydrophobicContact CG1-CG 3.95Å; V289-E291 PolarHBondContact O-N 2.93Å; V289-E291 VanDerWaalsContact O-N 3.15Å; E291-Y293 VanDerWaalsContact C-N 3.27Å
292	A	78.1	Confident	77.6	Confident	13 Å²	13	68.3 Å²	68.3	11%	0.107	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-76.3	-18.4	172.6	0	0	0	0	0	111.8	V289 P290 L300 F378	V289-A292 HydrophobicContact CB-CB 4.15Å; V289-A292 HydrophobicContact CG1-CB 3.76Å; V289-A292 VanDerWaalsContact O-CB 3.31Å; V289-A292 WeakPolarHBondContact O-CB 3.32Å; V289-A292 PolarHBondContact O-N 3.27Å; P290-A292 PolarHBondContact O-N 3.02Å; A292-L300 WeakPolarHBondContact O-CB 3.44Å; A292-L300 WeakPolarHBondContact O-CD1 3.24Å; A292-F378 HydrophobicContact CB-CD1 3.87Å; A292-F378 HydrophobicContact CB-CD2 3.88Å; A292-F378 HydrophobicContact CB-CE1 3.94Å; A292-F378 HydrophobicContact CB-CE2 3.96Å; A292-F378 HydrophobicContact CB-CG 3.84Å; A292-F378 HydrophobicContact CB-CZ 3.99Å
293	Y	73.9	Confident	76.4	Confident	63 Å²	63	64.7 Å²	64.7	25%	0.247	33%	0.325	C	S	.	.			trans	-89.7	123.8	-176.7	-168.6	-112.5	0	0	0	112.1	E278 Y285 P290 E291	E278-Y293 VanDerWaalsContact OE1-CE1 3.32Å; E278-Y293 WeakPolarHBondContact OE1-CE1 3.15Å; E278-Y293 WeakPolarHBondContact OE2-CE1 3.33Å; E278-Y293 PolarHBondContact OE2-OH 2.75Å; Y285-Y293 AromaticContact CD1-CD2 3.66Å; Y285-Y293 HydrophobicContact CD1-CD2 3.66Å; Y285-Y293 AromaticContact CD1-CE2 3.57Å; Y285-Y293 HydrophobicContact CD1-CE2 3.57Å; Y285-Y293 AromaticContact CE1-CD2 3.94Å; Y285-Y293 HydrophobicContact CE1-CD2 3.94Å; Y285-Y293 AromaticContact CE1-CE2 3.99Å; Y285-Y293 HydrophobicContact CE1-CE2 3.99Å; P290-Y293 WeakPolarHBondContact O-CB 3.25Å; P290-Y293 PolarHBondContact O-N 2.59Å; P290-Y293 VanDerWaalsContact O-N 3.08Å; E291-Y293 VanDerWaalsContact C-N 3.27Å
294	G	64.6	Low	75.2	Confident	29 Å²	29	64.7 Å²	64.7	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	157.8	140.9	177.5	0	0	0	0	0	113.7	D296 S297 L300	G294-D296 VanDerWaalsContact C-N 3.27Å; G294-D296 PolarHBondContact O-N 2.81Å; G294-S297 PolarHBondContact O-N 2.87Å; G294-L300 VanDerWaalsContact O-CD2 3.28Å; G294-L300 WeakPolarHBondContact O-CD2 3.49Å
295	E	54.1	Low	74	Confident	169 Å²	169	65 Å²	65	79%	0.79	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25	-170.9	-65.8	-174.1	161.1	0	0	114.6
296	D	54.7	Low	72.7	Confident	167 Å²	167	70 Å²	70	89%	0.893	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	4.1	-179.1	-70.8	-33.5	0	0	0	114.2	G294 E298	G294-D296 VanDerWaalsContact C-N 3.27Å; G294-D296 PolarHBondContact O-N 2.81Å; D296-E298 PolarHBondContact O-N 3.44Å; D296-E298 VanDerWaalsContact O-N 3.14Å
297	S	60.7	Low	71.4	Confident	31 Å²	31	70.2 Å²	70.2	22%	0.217	35%	0.351	C	S	.	.			trans	-81	98.9	-178.9	-176.2	0	0	0	0	110.6	G294 Q299 L300 L301	G294-S297 PolarHBondContact O-N 2.87Å; S297-Q299 PolarHBondContact O-N 3.09Å; S297-L300 VanDerWaalsContact O-CB 3.31Å; S297-L300 WeakPolarHBondContact O-CB 3.5Å; S297-L300 PolarHBondContact O-N 3.39Å; S297-L300 PolarHBondContact OG-N 3.35Å; S297-L301 PolarHBondContact O-N 2.9Å
298	E	64.8	Low	70.3	Confident	169 Å²	169	68.7 Å²	68.7	79%	0.79	35%	0.345	S	S	*	.	H	α-helix	trans	-50.4	-32.2	169.8	-172.5	178.6	-173.1	0	0	111.6	D296 K302	D296-E298 PolarHBondContact O-N 3.44Å; D296-E298 VanDerWaalsContact O-N 3.14Å; E298-K302 WeakPolarHBondContact O-CB 3.43Å; E298-K302 PolarHBondContact O-N 3.19Å
299	Q	64	Low	68.9	Low	136 Å²	136	69 Å²	69	64%	0.636	35%	0.35	S	S	*	.	H	α-helix	trans	-72.8	-35.2	177.6	-167.3	155.8	5.8	0	0	113.3	S297 K302 N303	S297-Q299 PolarHBondContact O-N 3.09Å; Q299-K302 PolarHBondContact O-N 2.93Å; Q299-N303 WeakPolarHBondContact O-CB 3.42Å; Q299-N303 PolarHBondContact O-N 3.06Å; Q299-N303 PolarHBondContact O-ND2 3.47Å
300	L	67.7	Low	67.8	Low	2 Å²	2	73.9 Å²	73.9	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-50.7	171.2	177.7	60.7	0	0	0	110.6	A292 G294 S297 K302 N303 M304 F378	A292-L300 WeakPolarHBondContact O-CB 3.44Å; A292-L300 WeakPolarHBondContact O-CD1 3.24Å; G294-L300 VanDerWaalsContact O-CD2 3.28Å; G294-L300 WeakPolarHBondContact O-CD2 3.49Å; S297-L300 VanDerWaalsContact O-CB 3.31Å; S297-L300 WeakPolarHBondContact O-CB 3.5Å; S297-L300 PolarHBondContact O-N 3.39Å; S297-L300 PolarHBondContact OG-N 3.35Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.28Å; L300-N303 PolarHBondContact O-N 3.45Å; L300-M304 HydrophobicContact CD1-CE 3.81Å; L300-M304 HydrophobicContact CD1-CG 3.92Å; L300-M304 HydrophobicContact CG-CG 4.36Å; L300-M304 WeakPolarHBondContact O-CB 3.38Å; L300-M304 WeakPolarHBondContact O-CG 3.39Å; L300-M304 PolarHBondContact O-N 2.78Å; L300-F378 HydrophobicContact CD1-CE1 3.83Å; L300-F378 HydrophobicContact CD1-CE2 4.5Å; L300-F378 HydrophobicContact CD1-CZ 3.39Å
301	L	66.2	Low	66.5	Low	80 Å²	80	72.7 Å²	72.7	42%	0.419	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-39.6	178.8	-74.5	165.3	0	0	0	111.5	S297 K305	S297-L301 PolarHBondContact O-N 2.9Å; L301-K305 WeakPolarHBondContact O-CB 3.32Å; L301-K305 WeakPolarHBondContact O-CG 3.41Å; L301-K305 PolarHBondContact O-N 2.68Å
302	K	68.5	Low	65.3	Low	99 Å²	99	67.2 Å²	67.2	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-50.6	174.3	-173.2	176.5	-177.5	172	0	111.8	D147 E298 Q299 L300 M304 K305 E306	D147-K302 IonicContact OD2-NZ 2.84Å; D147-K302 PolarHBondContact OD2-NZ 2.91Å; E298-K302 WeakPolarHBondContact O-CB 3.43Å; E298-K302 PolarHBondContact O-N 3.19Å; Q299-K302 PolarHBondContact O-N 2.93Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.28Å; K302-M304 PolarHBondContact O-N 2.95Å; K302-K305 PolarHBondContact O-N 2.64Å; K302-E306 WeakPolarHBondContact O-CG 3.34Å; K302-E306 PolarHBondContact O-N 3.1Å
303	N	67.7	Low	64.5	Low	34 Å²	34	70 Å²	70	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-39.4	-177.7	-70.8	-14.8	0	0	0	112.4	Q299 L300 E306 S307 F378	Q299-N303 WeakPolarHBondContact O-CB 3.42Å; Q299-N303 PolarHBondContact O-N 3.06Å; Q299-N303 PolarHBondContact O-ND2 3.47Å; L300-N303 PolarHBondContact O-N 3.45Å; N303-E306 PolarHBondContact O-N 3.4Å; N303-S307 WeakPolarHBondContact O-CB 2.93Å; N303-S307 PolarHBondContact O-N 3.35Å; N303-F378 HydrophobicContact CB-CD1 4.02Å; N303-F378 HydrophobicContact CB-CE1 3.79Å
304	M	70.1	Confident	63.9	Low	10 Å²	10	69 Å²	69	5%	0.049	35%	0.35	C	S	.	.	H	α-helix	trans	-67.7	-39.4	176.1	-70.4	-53.9	-169.6	0	0	112	Y285 L300 K302 E306 S307 E308 F378 P379	Y285-M304 HydrophobicContact CE1-CE 4.33Å; Y285-M304 WeakPolarHBondContact OH-CE 3.45Å; L300-M304 HydrophobicContact CD1-CE 3.81Å; L300-M304 HydrophobicContact CD1-CG 3.92Å; L300-M304 HydrophobicContact CG-CG 4.36Å; L300-M304 WeakPolarHBondContact O-CB 3.38Å; L300-M304 WeakPolarHBondContact O-CG 3.39Å; L300-M304 PolarHBondContact O-N 2.78Å; K302-M304 PolarHBondContact O-N 2.95Å; M304-E306 VanDerWaalsContact C-N 3.33Å; M304-E306 PolarHBondContact O-N 3.45Å; M304-S307 WeakPolarHBondContact O-CB 3.37Å; M304-S307 PolarHBondContact O-N 3.22Å; M304-E308 PolarHBondContact O-N 3.25Å; M304-E308 VanDerWaalsContact O-N 3.08Å; M304-F378 HydrophobicContact CE-CE2 4.45Å; M304-F378 HydrophobicContact CE-CZ 3.76Å; M304-P379 HydrophobicContact SD-CB 4.22Å
305	K	67.6	Low	63.6	Low	111 Å²	111	73.4 Å²	73.4	48%	0.483	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-41.2	172.8	-75.7	175.5	175.6	-176.2	0	112	L301 K302 S307 E308 M313	L301-K305 WeakPolarHBondContact O-CB 3.32Å; L301-K305 WeakPolarHBondContact O-CG 3.41Å; L301-K305 PolarHBondContact O-N 2.68Å; K302-K305 PolarHBondContact O-N 2.64Å; K305-S307 VanDerWaalsContact C-N 3.34Å; K305-E308 PolarHBondContact O-N 2.94Å; K305-M313 HydrophobicContact CB-CE 3.68Å; K305-M313 HydrophobicContact CB-SD 4.36Å; K305-M313 HydrophobicContact CD-CE 3.83Å; K305-M313 HydrophobicContact CG-CE 3.49Å; K305-M313 VanDerWaalsContact CG-CE 3.49Å
306	E	65.4	Low	63.8	Low	108 Å²	108	71.3 Å²	71.3	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-35.8	176.1	-72.7	-178.3	-176.2	0	0	112.4	K302 N303 M304 G309	K302-E306 WeakPolarHBondContact O-CG 3.34Å; K302-E306 PolarHBondContact O-N 3.1Å; N303-E306 PolarHBondContact O-N 3.4Å; M304-E306 VanDerWaalsContact C-N 3.33Å; M304-E306 PolarHBondContact O-N 3.45Å; E306-G309 PolarHBondContact O-N 3.16Å
307	S	62.9	Low	64.3	Low	6 Å²	6	64.2 Å²	64.2	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-36.1	176.2	150	0	0	0	0	113.5	N303 M304 K305 G309 H352	N303-S307 WeakPolarHBondContact O-CB 2.93Å; N303-S307 PolarHBondContact O-N 3.35Å; M304-S307 WeakPolarHBondContact O-CB 3.37Å; M304-S307 PolarHBondContact O-N 3.22Å; K305-S307 VanDerWaalsContact C-N 3.34Å; S307-G309 PolarHBondContact O-N 3.08Å; S307-H352 WeakPolarHBondContact CB-NE2 3.41Å; S307-H352 PolarHBondContact OG-NE2 3.21Å
308	E	69.9	Low	64.6	Low	12 Å²	12	66.4 Å²	66.4	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-69.3	-21.7	178.3	-75.7	-60.9	157.7	0	0	113.7	M304 K305 S312 K321 F327 A328 K331	M304-E308 PolarHBondContact O-N 3.25Å; M304-E308 VanDerWaalsContact O-N 3.08Å; K305-E308 PolarHBondContact O-N 2.94Å; E308-S312 WeakPolarHBondContact O-CB 3.45Å; E308-K321 WeakPolarHBondContact OE1-CE 3.47Å; E308-K321 IonicContact OE1-NZ 3.87Å; E308-K321 PolarHBondContact OE1-NZ 2.96Å; E308-F327 WeakPolarHBondContact OE1-CA 3.43Å; E308-A328 PolarHBondContact OE1-N 3.23Å; E308-K331 WeakPolarHBondContact O-CE 3.27Å; E308-K331 PolarHBondContact O-NZ 3.29Å
309	G	63.7	Low	64.8	Low	12 Å²	12	65.9 Å²	65.9	12%	0.124	33%	0.326	C	S	.	.			trans	76.7	148.9	-179.5	0	0	0	0	0	113.5	D100 E306 S307 L311 S312 M313	D100-G309 WeakPolarHBondContact OD2-CA 3.38Å; E306-G309 PolarHBondContact O-N 3.16Å; S307-G309 PolarHBondContact O-N 3.08Å; G309-L311 VanDerWaalsContact C-N 3.27Å; G309-L311 PolarHBondContact O-N 3Å; G309-S312 PolarHBondContact O-N 3.49Å; G309-M313 WeakPolarHBondContact O-CG 3.47Å
310	E	65.9	Low	65.4	Low	124 Å²	124	60.8 Å²	60.8	58%	0.579	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-61	-30.9	-170.3	-66.7	-176.8	-177.2	0	0	113.7	D100 K104 S312	D100-E310 PolarHBondContact OD2-N 2.78Å; K104-E310 IonicContact NZ-OE2 3.36Å; K104-E310 PolarHBondContact NZ-OE2 3.18Å; E310-S312 VanDerWaalsContact C-N 3.27Å; E310-S312 PolarHBondContact O-N 3.34Å
311	L	62	Low	66.3	Low	31 Å²	31	62.2 Å²	62.2	16%	0.162	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-78.9	-15.1	-175.5	-60.5	176.8	0	0	0	112.7	D100 I103 G309 K334	D100-L311 HydrophobicContact CB-CD1 4.22Å; D100-L311 HydrophobicContact CB-CG 4.25Å; D100-L311 WeakPolarHBondContact OD2-CB 3.42Å; D100-L311 PolarHBondContact OD2-N 3.19Å; I103-L311 HydrophobicContact CB-CD1 4Å; I103-L311 HydrophobicContact CG2-CD1 3.72Å; G309-L311 VanDerWaalsContact C-N 3.27Å; G309-L311 PolarHBondContact O-N 3Å; L311-K334 PolarHBondContact O-NZ 3.06Å
312	S	59.8	Low	67.4	Low	6 Å²	6	66.3 Å²	66.3	4%	0.042	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-102.2	-0.3	-176.2	-55.9	0	0	0	0	113.9	E308 G309 E310 S314 R317	E308-S312 WeakPolarHBondContact O-CB 3.45Å; G309-S312 PolarHBondContact O-N 3.49Å; E310-S312 VanDerWaalsContact C-N 3.27Å; E310-S312 PolarHBondContact O-N 3.34Å; S312-S314 VanDerWaalsContact C-N 3.3Å; S312-S314 PolarHBondContact O-N 2.98Å; S312-R317 WeakPolarHBondContact O-CB 3.47Å; S312-R317 PolarHBondContact OG-NH1 3.49Å
313	M	59.8	Low	68.2	Low	70 Å²	70	61.9 Å²	61.9	35%	0.345	30%	0.303	S	S	.	.			trans	-81.8	14.7	-175.8	-64.9	-151.7	72.3	0	0	116.1	K305 G309	K305-M313 HydrophobicContact CB-CE 3.68Å; K305-M313 HydrophobicContact CB-SD 4.36Å; K305-M313 HydrophobicContact CD-CE 3.83Å; K305-M313 HydrophobicContact CG-CE 3.49Å; K305-M313 VanDerWaalsContact CG-CE 3.49Å; G309-M313 WeakPolarHBondContact O-CG 3.47Å
314	S	61.7	Low	68.8	Low	42 Å²	42	64.5 Å²	64.5	29%	0.294	32%	0.322	S	S	.	.			trans	-65.1	141	177.1	45.7	0	0	0	0	111.4	S312 D316 R317 L318	S312-S314 VanDerWaalsContact C-N 3.3Å; S312-S314 PolarHBondContact O-N 2.98Å; S314-D316 PolarHBondContact O-N 2.89Å; S314-R317 PolarHBondContact O-N 3.44Å; S314-L318 PolarHBondContact O-N 2.77Å
315	D	58.4	Low	69.4	Low	123 Å²	123	64.8 Å²	64.8	66%	0.658	32%	0.323	S	S	*	.	H	α-helix	trans	-50	-33.2	-179.7	-83.8	-16.9	0	0	0	113.5	K319	D315-K319 WeakPolarHBondContact O-CG 3.34Å; D315-K319 PolarHBondContact O-N 3.22Å
316	D	59.4	Low	70.4	Confident	125 Å²	125	59.6 Å²	59.6	67%	0.668	30%	0.301	S	S	*	.	H	α-helix	trans	-70.6	-29.6	179.2	-61.8	-32.1	0	0	0	113.4	S314	S314-D316 PolarHBondContact O-N 2.89Å
317	R	65.2	Low	71.6	Confident	17 Å²	17	54.4 Å²	54.4	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-81.7	-31.8	175.9	-73.8	-168.1	171.7	-177.8	-2.3	112.6	D267 S312 S314 K319 S320 S332	D267-R317 IonicContact OD2-NE 3.46Å; S312-R317 WeakPolarHBondContact O-CB 3.47Å; S312-R317 PolarHBondContact OG-NH1 3.49Å; S314-R317 PolarHBondContact O-N 3.44Å; R317-K319 PolarHBondContact O-N 2.9Å; R317-S320 PolarHBondContact O-N 3.37Å; R317-S320 PolarHBondContact O-OG 3.2Å; R317-S332 PolarHBondContact NH2-O 2.68Å; R317-S332 PolarHBondContact NH2-OG 3.1Å
318	L	65.2	Low	73	Confident	77 Å²	77	54.3 Å²	54.3	40%	0.403	28%	0.276	S	S	.	.	H	α-helix	trans	-66.3	-28.9	174.7	-70.9	169.6	0	0	0	111.8	S314	S314-L318 PolarHBondContact O-N 2.77Å
319	K	69.4	Low	74.3	Confident	159 Å²	159	53.7 Å²	53.7	69%	0.691	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.4	174.5	-70	171.6	-171.4	165.9	0	114.1	D315 R317 K321	D315-K319 WeakPolarHBondContact O-CG 3.34Å; D315-K319 PolarHBondContact O-N 3.22Å; R317-K319 PolarHBondContact O-N 2.9Å; K319-K321 VanDerWaalsContact C-N 3.3Å
320	S	77.9	Confident	75.8	Confident	29 Å²	29	53.1 Å²	53.1	20%	0.203	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.2	-177.4	68.4	0	0	0	0	113.5	Y271 R317	Y271-S320 PolarHBondContact OH-OG 3.07Å; R317-S320 PolarHBondContact O-N 3.37Å; R317-S320 PolarHBondContact O-OG 3.2Å
321	K	86.3	Confident	77	Confident	31 Å²	31	47.5 Å²	47.5	14%	0.135	24%	0.241	C	C	.	.			trans	-82.3	138.9	174.7	-60.6	-176.5	174.1	-166.1	0	112.2	Y263 Y271 E308 K319 S323 D326	Y263-K321 WeakPolarHBondContact OH-CA 3.45Å; Y271-K321 HydrophobicContact CD1-CD 4.4Å; Y271-K321 HydrophobicContact CD1-CG 4.04Å; Y271-K321 HydrophobicContact CE1-CD 4.26Å; Y271-K321 VanDerWaalsContact CE1-CE 3.44Å; Y271-K321 HydrophobicContact CE1-CG 3.89Å; Y271-K321 HydrophobicContact CE2-CG 4.36Å; Y271-K321 HydrophobicContact CG-CG 4.36Å; E308-K321 WeakPolarHBondContact OE1-CE 3.47Å; E308-K321 IonicContact OE1-NZ 3.87Å; E308-K321 PolarHBondContact OE1-NZ 2.96Å; K319-K321 VanDerWaalsContact C-N 3.3Å; K321-S323 WeakPolarHBondContact CB-O 3.31Å; K321-D326 WeakPolarHBondContact CE-O 3.43Å; K321-D326 PolarHBondContact NZ-O 2.86Å
322	R	88.8	Confident	78.5	Confident	167 Å²	167	46.7 Å²	46.7	63%	0.63	24%	0.238	S	C	*	.	S	Bend	trans	-71.9	-34.3	170.9	-65.8	178.2	-177.9	174.6	-1.3	112.3	Y263 D273	Y263-R322 HydrophobicContact CD2-CG 4.42Å; Y263-R322 HydrophobicContact CE1-CB 4.22Å; Y263-R322 HydrophobicContact CE1-CG 4.01Å; Y263-R322 HydrophobicContact CE2-CG 3.84Å; Y263-R322 PolarHBondContact OH-N 3.3Å; D273-R322 IonicContact OD2-NH1 3.99Å; D273-R322 PolarHBondContact OD2-NH1 2.96Å
323	S	85.8	Confident	79.9	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.042	24%	0.244	C	C	.	.	S	Bend	trans	-132.5	145.9	174.2	-175.6	0	0	0	0	111.7	K321 N325 D326	K321-S323 WeakPolarHBondContact CB-O 3.31Å; S323-N325 PolarHBondContact O-N 3.34Å; S323-N325 PolarHBondContact OG-N 3.44Å; S323-D326 PolarHBondContact N-OD2 2.96Å; S323-D326 VanDerWaalsContact N-OD2 3.07Å; S323-D326 WeakPolarHBondContact O-CB 3.42Å; S323-D326 PolarHBondContact O-N 3.44Å; S323-D326 VanDerWaalsContact O-N 3.16Å
324	P	80.4	Confident	81.1	Confident	89 Å²	89	48.1 Å²	48.1	58%	0.578	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.3	171.5	-25.3	35.1	0	0	0	114.4
325	N	81.3	Confident	82.3	Confident	16 Å²	16	52 Å²	52	9%	0.086	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.3	-178.7	-64.6	-14.3	0	0	0	113.2	T274 S323	T274-N325 HydrophobicContact CG2-CB 4.36Å; T274-N325 WeakPolarHBondContact CG2-O 3.22Å; S323-N325 PolarHBondContact O-N 3.34Å; S323-N325 PolarHBondContact OG-N 3.44Å
326	D	89.1	Confident	83.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.234	C	C	.	.			trans	-66	139.7	177.6	-65.8	-12.8	0	0	0	109.7	Y263 F272 T274 K321 S323	Y263-D326 WeakPolarHBondContact CE1-OD2 3.31Å; Y263-D326 PolarHBondContact OH-OD2 2.8Å; F272-D326 WeakPolarHBondContact O-CA 3.43Å; F272-D326 WeakPolarHBondContact O-CB 3.44Å; F272-D326 VanDerWaalsContact O-OD1 3.12Å; T274-D326 PolarHBondContact N-OD1 3.17Å; T274-D326 PolarHBondContact OG1-OD1 2.85Å; K321-D326 WeakPolarHBondContact CE-O 3.43Å; K321-D326 PolarHBondContact NZ-O 2.86Å; S323-D326 PolarHBondContact N-OD2 2.96Å; S323-D326 VanDerWaalsContact N-OD2 3.07Å; S323-D326 WeakPolarHBondContact O-CB 3.42Å; S323-D326 PolarHBondContact O-N 3.44Å; S323-D326 VanDerWaalsContact O-N 3.16Å
327	F	90.9	Very high	85	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.			trans	-123.4	148.3	-178	55.7	-90.7	0	0	0	111.4	Y271 F272 T274 Y285 E308 L329 N383 Q387	Y271-F327 WeakPolarHBondContact CA-O 3.43Å; F272-F327 HydrophobicContact CB-CD1 4.25Å; F272-F327 HydrophobicContact CB-CD2 3.97Å; F272-F327 HydrophobicContact CB-CE1 3.89Å; F272-F327 HydrophobicContact CB-CE2 3.59Å; F272-F327 HydrophobicContact CB-CG 4.29Å; F272-F327 HydrophobicContact CB-CZ 3.55Å; F272-F327 AromaticContact CD1-CE1 3.6Å; F272-F327 HydrophobicContact CD1-CE1 3.6Å; F272-F327 HydrophobicContact CD1-CE2 4.44Å; F272-F327 AromaticContact CD1-CZ 3.55Å; F272-F327 HydrophobicContact CD1-CZ 3.55Å; F272-F327 HydrophobicContact CD2-CE2 4.33Å; F272-F327 AromaticContact CD2-CZ 4Å; F272-F327 HydrophobicContact CD2-CZ 4Å; F272-F327 HydrophobicContact CE1-CE1 4.35Å; F272-F327 HydrophobicContact CE1-CZ 4.22Å; F272-F327 AromaticContact CG-CE1 3.87Å; F272-F327 HydrophobicContact CG-CE1 3.87Å; F272-F327 AromaticContact CG-CE2 3.89Å; F272-F327 HydrophobicContact CG-CE2 3.89Å; F272-F327 AromaticContact CG-CZ 3.42Å; F272-F327 HydrophobicContact CG-CZ 3.42Å; F272-F327 VanDerWaalsContact CG-CZ 3.42Å; F272-F327 PolarHBondContact N-O 2.98Å; T274-F327 HydrophobicContact CG2-CD1 4.23Å; T274-F327 HydrophobicContact CG2-CE1 4.03Å; Y285-F327 AromaticContact CE2-CE1 3.73Å; Y285-F327 HydrophobicContact CE2-CE1 3.73Å; Y285-F327 HydrophobicContact CE2-CZ 4.46Å; Y285-F327 AromaticContact CZ-CE1 3.96Å; Y285-F327 WeakPolarHBondContact OH-CE1 3.13Å; E308-F327 WeakPolarHBondContact OE1-CA 3.43Å; F327-L329 HydrophobicContact CD2-CD2 4.29Å; F327-L329 HydrophobicContact CE2-CD2 3.9Å; F327-L329 PolarHBondContact O-N 3.39Å; F327-N383 HydrophobicContact CD2-CB 4.27Å; F327-N383 HydrophobicContact CE1-CB 4.21Å; F327-N383 WeakPolarHBondContact CE1-OD1 3.41Å; F327-N383 HydrophobicContact CE2-CB 3.83Å; F327-N383 WeakPolarHBondContact CG-ND2 3.22Å; F327-N383 HydrophobicContact CZ-CB 3.79Å; F327-Q387 HydrophobicContact CE2-CG 3.98Å; F327-Q387 HydrophobicContact CZ-CG 4.35Å
328	A	92.9	Very high	86.3	Confident	3 Å²	3	40.5 Å²	40.5	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.4	-177	0	0	0	0	0	112.5	Y271 E308 K331	Y271-A328 HydrophobicContact CD1-CB 4.1Å; Y271-A328 HydrophobicContact CE1-CB 3.96Å; E308-A328 PolarHBondContact OE1-N 3.23Å; A328-K331 HydrophobicContact CB-CD 4.41Å; A328-K331 HydrophobicContact CB-CG 3.73Å
329	L	95.6	Very high	87.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-39	164.8	-57.8	-176.8	0	0	0	110.7	V253 I256 A262 V270 F272 F327 G350 I353 Q387	V253-L329 HydrophobicContact CG1-CB 4.2Å; V253-L329 HydrophobicContact CG1-CD1 4.21Å; V253-L329 HydrophobicContact CG2-CB 3.83Å; V253-L329 HydrophobicContact CG2-CD1 4.41Å; I256-L329 HydrophobicContact CD1-CD1 4.16Å; I256-L329 HydrophobicContact CG2-CD1 4.13Å; A262-L329 HydrophobicContact CB-CD1 3.69Å; V270-L329 HydrophobicContact CG1-CB 4.5Å; V270-L329 HydrophobicContact CG1-CD1 4.49Å; V270-L329 PolarHBondContact O-N 2.94Å; F272-L329 HydrophobicContact CB-CD1 4.29Å; F272-L329 HydrophobicContact CB-CD2 4Å; F272-L329 HydrophobicContact CB-CG 4.07Å; F272-L329 HydrophobicContact CD2-CD1 4.26Å; F272-L329 HydrophobicContact CD2-CD2 4.24Å; F327-L329 HydrophobicContact CD2-CD2 4.29Å; F327-L329 HydrophobicContact CE2-CD2 3.9Å; F327-L329 PolarHBondContact O-N 3.39Å; L329-G350 PolarHBondContact O-N 3.09Å; L329-I353 HydrophobicContact CD2-CB 4.49Å; L329-I353 HydrophobicContact CD2-CD1 4.27Å; L329-I353 WeakPolarHBondContact O-CG2 3.2Å; L329-Q387 HydrophobicContact CD2-CG 3.82Å
330	W	95.4	Very high	88.8	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.6	177	-175.5	-99.8	0	0	0	109.1	V246 V249 I250 S269 V270 W340 S342 W344 G347 P349	V246-W330 HydrophobicContact CG1-CH2 3.87Å; V246-W330 HydrophobicContact CG1-CZ3 3.9Å; V249-W330 HydrophobicContact CG1-CE3 4.41Å; I250-W330 HydrophobicContact CD1-CH2 3.82Å; I250-W330 HydrophobicContact CD1-CZ2 4.49Å; I250-W330 HydrophobicContact CD1-CZ3 4.16Å; I250-W330 HydrophobicContact CG1-CE3 4.24Å; I250-W330 HydrophobicContact CG1-CH2 3.8Å; I250-W330 HydrophobicContact CG1-CZ3 3.64Å; S269-W330 CarbonylContact C-O 3.49Å; S269-W330 VanDerWaalsContact CA-O 3.31Å; S269-W330 WeakPolarHBondContact CA-O 3.06Å; S269-W330 WeakPolarHBondContact CB-O 3.13Å; V270-W330 HydrophobicContact CB-CB 3.88Å; V270-W330 HydrophobicContact CG2-CB 4Å; V270-W330 PolarHBondContact N-O 3.27Å; V270-W330 PolarHBondContact O-N 3.41Å; V270-W330 VanDerWaalsContact O-N 3.12Å; W330-W340 HydrophobicContact CH2-CB 4.13Å; W330-S342 PolarHBondContact NE1-OG 2.81Å; W330-W344 HydrophobicContact CB-CE3 4.38Å; W330-W344 HydrophobicContact CB-CZ3 4.48Å; W330-W344 AromaticContact CD1-CE3 3.92Å; W330-W344 HydrophobicContact CD2-CE3 4.38Å; W330-W344 HydrophobicContact CD2-CZ3 4.49Å; W330-W344 AromaticContact CG-CE3 3.99Å; W330-W344 HydrophobicContact CG-CE3 3.99Å; W330-W344 HydrophobicContact CG-CZ3 4.31Å; W330-G347 WeakPolarHBondContact CZ2-O 3.26Å; W330-P349 HydrophobicContact CZ3-CG 4.3Å
331	K	92.5	Very high	89.6	Confident	5 Å²	5	39.4 Å²	39.4	2%	0.022	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.9	179.5	-64.5	178.3	-179.6	179.9	0	108.7	D100 E308 A328 G347 R348	D100-K331 IonicContact OD1-NZ 3.89Å; E308-K331 WeakPolarHBondContact O-CE 3.27Å; E308-K331 PolarHBondContact O-NZ 3.29Å; A328-K331 HydrophobicContact CB-CD 4.41Å; A328-K331 HydrophobicContact CB-CG 3.73Å; K331-G347 CarbonylContact O-C 3.45Å; K331-G347 WeakPolarHBondContact O-CA 3.49Å; K331-R348 HydrophobicContact CB-CG 4.39Å; K331-R348 PolarHBondContact N-O 2.92Å; K331-R348 PolarHBondContact O-N 3.26Å
332	S	92.1	Very high	90	Very high	15 Å²	15	39 Å²	39	11%	0.105	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	140.4	170.3	61.7	0	0	0	0	110.4	D267 S269 R317	D267-S332 WeakPolarHBondContact O-CB 3.21Å; D267-S332 PolarHBondContact O-OG 3.36Å; S269-S332 PolarHBondContact OG-N 3.09Å; S269-S332 PolarHBondContact OG-OG 2.78Å; R317-S332 PolarHBondContact NH2-O 2.68Å; R317-S332 PolarHBondContact NH2-OG 3.1Å
333	S	89.2	Confident	90.2	Very high	25 Å²	25	36.3 Å²	36.3	18%	0.175	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-87.8	142.6	-178.6	-69.7	0	0	0	0	110.6	P338 F339 N346 G347	S333-P338 PolarHBondContact OG-O 3Å; S333-F339 WeakPolarHBondContact OG-CB 3.48Å; S333-N346 PolarHBondContact N-O 2.97Å; S333-G347 VanDerWaalsContact OG-CA 3.29Å; S333-G347 WeakPolarHBondContact OG-CA 3.04Å
334	K	86.5	Confident	90.6	Very high	81 Å²	81	38 Å²	38	35%	0.352	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-96.1	167.5	171.7	-65.3	173.1	-179.8	169.9	0	110.5	L311 G336 E337	L311-K334 PolarHBondContact O-NZ 3.06Å; K334-G336 PolarHBondContact O-N 3.42Å; K334-E337 HydrophobicContact CB-CG 4.35Å; K334-E337 WeakPolarHBondContact O-CB 3.35Å; K334-E337 PolarHBondContact O-N 2.83Å; K334-E337 VanDerWaalsContact O-N 3.07Å
335	D	86.2	Confident	91.3	Very high	122 Å²	122	35.4 Å²	35.4	65%	0.652	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.1	171.5	-76.1	-9.6	0	0	0	110.8	K205	K205-D335 HydrophobicContact CB-CB 4.2Å
336	G	85.1	Confident	91.9	Very high	8 Å²	8	38.4 Å²	38.4	8%	0.082	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	12.3	-176.7	0	0	0	0	0	114.9	R107 G204 V207 K334	R107-G336 VanDerWaalsContact CD-O 3.29Å; R107-G336 WeakPolarHBondContact CD-O 3.4Å; R107-G336 PolarHBondContact NH1-O 3.34Å; G204-G336 WeakPolarHBondContact O-CA 3.14Å; V207-G336 VanDerWaalsContact O-CA 3.32Å; V207-G336 WeakPolarHBondContact O-CA 3.43Å; K334-G336 PolarHBondContact O-N 3.42Å
337	E	90.2	Very high	92.1	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.042	21%	0.208	C	C	.	.	S	Bend	trans	-108.4	149.2	168.5	-59.1	-171.1	-166.7	0	0	110.7	I103 K334 R348	I103-E337 HydrophobicContact CG2-CB 4.47Å; I103-E337 HydrophobicContact CG2-CG 4.08Å; K334-E337 HydrophobicContact CB-CG 4.35Å; K334-E337 WeakPolarHBondContact O-CB 3.35Å; K334-E337 PolarHBondContact O-N 2.83Å; K334-E337 VanDerWaalsContact O-N 3.07Å; E337-R348 IonicContact OE2-CZ 3.63Å; E337-R348 IonicContact OE2-NE 3.56Å; E337-R348 PolarHBondContact OE2-NE 3.44Å; E337-R348 VanDerWaalsContact OE2-NE 3.13Å; E337-R348 IonicContact OE2-NH2 2.93Å; E337-R348 PolarHBondContact OE2-NH2 2.78Å
338	P	90.6	Very high	92.3	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.045	21%	0.208	C	C	.	.			trans	-63.7	148.1	168.5	29.9	-34.7	0	0	0	110	I103 F213 S333 W340	I103-P338 HydrophobicContact CD1-CG 3.87Å; I103-P338 HydrophobicContact CG1-CG 3.78Å; F213-P338 HydrophobicContact CD1-CG 4.46Å; F213-P338 HydrophobicContact CD2-CB 4.04Å; F213-P338 HydrophobicContact CD2-CG 4.14Å; F213-P338 HydrophobicContact CE2-CB 4.41Å; F213-P338 HydrophobicContact CE2-CG 4.45Å; F213-P338 HydrophobicContact CG-CB 4.45Å; F213-P338 HydrophobicContact CG-CG 4.15Å; S333-P338 PolarHBondContact OG-O 3Å; P338-W340 HydrophobicContact CB-CH2 4.35Å; P338-W340 HydrophobicContact CB-CZ3 4.25Å
339	F	93.1	Very high	92.4	Very high	81 Å²	81	38.5 Å²	38.5	36%	0.355	21%	0.208	S	C	.	.			trans	-148.1	157.2	-179.2	70.1	-93	0	0	0	112.7	H210 S333 N346 G347	H210-F339 AromaticContact NE2-CD1 3.77Å; H210-F339 AromaticContact NE2-CE1 3.72Å; S333-F339 WeakPolarHBondContact OG-CB 3.48Å; F339-N346 HydrophobicContact CB-CB 4.03Å; F339-N346 HydrophobicContact CD2-CB 3.66Å; F339-N346 WeakPolarHBondContact CD2-ND2 3.5Å; F339-N346 HydrophobicContact CE2-CB 4.37Å; F339-N346 VanDerWaalsContact CE2-ND2 3.35Å; F339-N346 WeakPolarHBondContact CE2-ND2 3.39Å; F339-N346 HydrophobicContact CG-CB 3.96Å; F339-G347 CarbonylContact C-O 3.6Å; F339-G347 WeakPolarHBondContact CA-O 3.41Å
340	W	94.6	Very high	92	Very high	62 Å²	62	38.5 Å²	38.5	24%	0.235	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.8	169.3	-67.9	-102.8	0	0	0	109	V98 V246 W330 P338 G347 R348	V98-W340 HydrophobicContact CB-CH2 4.46Å; V98-W340 HydrophobicContact CG1-CH2 3.94Å; V98-W340 HydrophobicContact CG1-CZ3 3.84Å; V98-W340 HydrophobicContact CG2-CH2 3.62Å; V98-W340 HydrophobicContact CG2-CZ2 4.34Å; V98-W340 HydrophobicContact CG2-CZ3 4.34Å; V246-W340 HydrophobicContact CB-CD2 4.44Å; V246-W340 HydrophobicContact CB-CG 4.17Å; V246-W340 HydrophobicContact CG1-CB 3.71Å; V246-W340 HydrophobicContact CG1-CD2 4.04Å; V246-W340 HydrophobicContact CG1-CG 3.59Å; V246-W340 HydrophobicContact CG2-CD2 4.02Å; V246-W340 HydrophobicContact CG2-CG 4.28Å; V246-W340 HydrophobicContact CG2-CZ2 4.29Å; W330-W340 HydrophobicContact CH2-CB 4.13Å; P338-W340 HydrophobicContact CB-CH2 4.35Å; P338-W340 HydrophobicContact CB-CZ3 4.25Å; W340-G347 PolarHBondContact N-O 3.02Å; W340-G347 PolarHBondContact O-N 3.13Å; W340-R348 HydrophobicContact CE3-CB 4.06Å; W340-R348 HydrophobicContact CZ3-CB 4.01Å
341	P	95.2	Very high	91.2	Very high	99 Å²	99	40.9 Å²	40.9	64%	0.643	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.3	176	28.9	-33.4	0	0	0	110.3
342	S	95.4	Very high	91	Very high	23 Å²	23	40.8 Å²	40.8	16%	0.161	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	173.5	171.6	80.4	0	0	0	0	110.1	W330 W344 G345	W330-S342 PolarHBondContact NE1-OG 2.81Å; S342-W344 PolarHBondContact O-N 3.06Å; S342-W344 PolarHBondContact OG-N 2.8Å; S342-G345 WeakPolarHBondContact CB-O 3.39Å; S342-G345 PolarHBondContact N-O 3Å; S342-G345 VanDerWaalsContact N-O 3.1Å; S342-G345 PolarHBondContact O-N 2.85Å; S342-G345 VanDerWaalsContact O-N 3.13Å; S342-G345 PolarHBondContact OG-N 2.99Å; S342-G345 PolarHBondContact OG-O 3.28Å
343	E	92.6	Very high	91.2	Very high	111 Å²	111	40 Å²	40	52%	0.519	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.4	174.9	67.7	-172.7	164.7	0	0	113.6	K254 G345	K254-E343 WeakPolarHBondContact CD-OE1 3.25Å; K254-E343 WeakPolarHBondContact CE-OE1 3.42Å; K254-E343 WeakPolarHBondContact CE-OE2 3.43Å; K254-E343 WeakPolarHBondContact CG-OE1 3.46Å; K254-E343 IonicContact NZ-OE1 2.83Å; K254-E343 PolarHBondContact NZ-OE1 2.78Å; K254-E343 IonicContact NZ-OE2 3.83Å; K254-E343 PolarHBondContact NZ-OE2 2.99Å; E343-G345 VanDerWaalsContact C-N 3.31Å
344	W	94.7	Very high	91.5	Very high	40 Å²	40	38.9 Å²	38.9	15%	0.152	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.2	174.6	-44.5	-68.3	0	0	0	112.2	I250 V253 K254 I257 A264 G268 V270 W330 S342	I250-W344 HydrophobicContact CG2-CH2 4.28Å; I250-W344 HydrophobicContact CG2-CZ3 4.12Å; V253-W344 HydrophobicContact CB-CH2 3.81Å; V253-W344 HydrophobicContact CB-CZ3 4.33Å; V253-W344 HydrophobicContact CG1-CH2 3.5Å; V253-W344 VanDerWaalsContact CG1-CH2 3.5Å; V253-W344 HydrophobicContact CG1-CZ2 4.02Å; V253-W344 HydrophobicContact CG1-CZ3 4.03Å; K254-W344 HydrophobicContact CG-CH2 3.96Å; K254-W344 HydrophobicContact CG-CZ2 3.92Å; I257-W344 HydrophobicContact CD1-CH2 4.42Å; I257-W344 HydrophobicContact CD1-CZ2 3.48Å; I257-W344 VanDerWaalsContact CD1-CZ2 3.48Å; A264-W344 HydrophobicContact CB-CG 4.48Å; G268-W344 WeakPolarHBondContact CA-O 3.41Å; G268-W344 WeakPolarHBondContact O-CB 3.45Å; V270-W344 HydrophobicContact CG2-CB 4.35Å; V270-W344 HydrophobicContact CG2-CD2 3.34Å; V270-W344 HydrophobicContact CG2-CE3 3.67Å; V270-W344 HydrophobicContact CG2-CG 3.64Å; V270-W344 HydrophobicContact CG2-CH2 4.44Å; V270-W344 HydrophobicContact CG2-CZ2 4.17Å; V270-W344 HydrophobicContact CG2-CZ3 4.2Å; W330-W344 HydrophobicContact CB-CE3 4.38Å; W330-W344 HydrophobicContact CB-CZ3 4.48Å; W330-W344 AromaticContact CD1-CE3 3.92Å; W330-W344 HydrophobicContact CD2-CE3 4.38Å; W330-W344 HydrophobicContact CD2-CZ3 4.49Å; W330-W344 AromaticContact CG-CE3 3.99Å; W330-W344 HydrophobicContact CG-CE3 3.99Å; W330-W344 HydrophobicContact CG-CZ3 4.31Å; S342-W344 PolarHBondContact O-N 3.06Å; S342-W344 PolarHBondContact OG-N 2.8Å
345	G	93.9	Very high	92	Very high	36 Å²	36	35 Å²	35	37%	0.371	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	101.6	-172.3	-174.5	0	0	0	0	0	113.1	S342 E343 G347	S342-G345 WeakPolarHBondContact CB-O 3.39Å; S342-G345 PolarHBondContact N-O 3Å; S342-G345 VanDerWaalsContact N-O 3.1Å; S342-G345 PolarHBondContact O-N 2.85Å; S342-G345 VanDerWaalsContact O-N 3.13Å; S342-G345 PolarHBondContact OG-N 2.99Å; S342-G345 PolarHBondContact OG-O 3.28Å; E343-G345 VanDerWaalsContact C-N 3.31Å; G345-G347 PolarHBondContact O-N 3.11Å
346	N	94.4	Very high	92.6	Very high	79 Å²	79	29.2 Å²	29.2	42%	0.422	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.3	178.8	-73.3	-15.3	0	0	0	110.3	S333 F339	S333-N346 PolarHBondContact N-O 2.97Å; F339-N346 HydrophobicContact CB-CB 4.03Å; F339-N346 HydrophobicContact CD2-CB 3.66Å; F339-N346 WeakPolarHBondContact CD2-ND2 3.5Å; F339-N346 HydrophobicContact CE2-CB 4.37Å; F339-N346 VanDerWaalsContact CE2-ND2 3.35Å; F339-N346 WeakPolarHBondContact CE2-ND2 3.39Å; F339-N346 HydrophobicContact CG-CB 3.96Å
347	G	94	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-165.1	-178.8	0	0	0	0	0	113.3	W330 K331 S333 F339 W340 G345	W330-G347 WeakPolarHBondContact CZ2-O 3.26Å; K331-G347 CarbonylContact O-C 3.45Å; K331-G347 WeakPolarHBondContact O-CA 3.49Å; S333-G347 VanDerWaalsContact OG-CA 3.29Å; S333-G347 WeakPolarHBondContact OG-CA 3.04Å; F339-G347 CarbonylContact C-O 3.6Å; F339-G347 WeakPolarHBondContact CA-O 3.41Å; W340-G347 PolarHBondContact N-O 3.02Å; W340-G347 PolarHBondContact O-N 3.13Å; G345-G347 PolarHBondContact O-N 3.11Å
348	R	94.4	Very high	93.6	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.2	-179.8	58.8	-174.2	170.6	82.7	-2.5	111.2	V98 D100 K331 E337 W340	V98-R348 HydrophobicContact CG1-CB 4.34Å; D100-R348 IonicContact OD1-CZ 2.82Å; D100-R348 IonicContact OD1-NH1 2.79Å; D100-R348 PolarHBondContact OD1-NH1 3.43Å; D100-R348 IonicContact OD1-NH2 3.63Å; D100-R348 PolarHBondContact OD1-NH2 2.8Å; D100-R348 IonicContact OD2-NH2 3.35Å; K331-R348 HydrophobicContact CB-CG 4.39Å; K331-R348 PolarHBondContact N-O 2.92Å; K331-R348 PolarHBondContact O-N 3.26Å; E337-R348 IonicContact OE2-CZ 3.63Å; E337-R348 IonicContact OE2-NE 3.56Å; E337-R348 PolarHBondContact OE2-NE 3.44Å; E337-R348 VanDerWaalsContact OE2-NE 3.13Å; E337-R348 IonicContact OE2-NH2 2.93Å; E337-R348 PolarHBondContact OE2-NH2 2.78Å; W340-R348 HydrophobicContact CE3-CB 4.06Å; W340-R348 HydrophobicContact CZ3-CB 4.01Å
349	P	94.6	Very high	93.9	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	148.2	175.5	-25.9	36.4	0	0	0	113.5	V242 V246 V249 W330 I353	V242-P349 HydrophobicContact CG1-CB 4.21Å; V242-P349 HydrophobicContact CG1-CG 4.01Å; V246-P349 HydrophobicContact CG1-CG 4.5Å; V246-P349 HydrophobicContact CG2-CG 4.18Å; V249-P349 HydrophobicContact CB-CG 4.43Å; V249-P349 HydrophobicContact CG1-CB 4.13Å; V249-P349 HydrophobicContact CG1-CG 4.1Å; V249-P349 HydrophobicContact CG2-CG 4.26Å; W330-P349 HydrophobicContact CZ3-CG 4.3Å; P349-I353 HydrophobicContact CB-CG2 3.97Å
350	G	87.9	Confident	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.			trans	-79.2	153.1	161.6	0	0	0	0	0	111.7	L329 H352 I353	L329-G350 PolarHBondContact O-N 3.09Å; G350-H352 PolarHBondContact O-N 2.81Å; G350-I353 VanDerWaalsContact O-CG2 3.32Å; G350-I353 WeakPolarHBondContact O-CG2 3.21Å; G350-I353 PolarHBondContact O-N 3.22Å
351	W	78.6	Confident	94.2	Very high	51 Å²	51	24.7 Å²	24.7	19%	0.193	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.8	-172.3	-177.3	32.2	0	0	0	114.9	E354 L376 H380	W351-E354 WeakPolarHBondContact O-CG 3.46Å; W351-L376 HydrophobicContact CH2-CD2 4.4Å; W351-L376 HydrophobicContact CZ2-CD2 4.21Å; W351-H380 AromaticContact CE2-ND1 3.99Å; W351-H380 AromaticContact NE1-CE1 3.93Å; W351-H380 PolarHBondContact O-CE1 3.18Å; W351-H380 VanDerWaalsContact O-CE1 3.31Å
352	H	88.8	Confident	94.3	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-40.6	-179.3	-53.7	-56.9	0	0	0	113.4	S307 G350 E354 C355 H380 N383 Q387	S307-H352 WeakPolarHBondContact CB-NE2 3.41Å; S307-H352 PolarHBondContact OG-NE2 3.21Å; G350-H352 PolarHBondContact O-N 2.81Å; H352-E354 PolarHBondContact O-N 2.84Å; H352-C355 PolarHBondContact O-N 2.93Å; H352-H380 AromaticContact CE1-ND1 3.85Å; H352-H380 WeakPolarHBondContact ND1-CA 3.43Å; H352-H380 AromaticContact ND1-CG 3.84Å; H352-H380 AromaticContact ND1-ND1 3.17Å; H352-H380 PolarHBondContact ND1-ND1 2.88Å; H352-H380 VanDerWaalsContact ND1-ND1 3.17Å; H352-N383 HydrophobicContact CB-CB 3.91Å; H352-N383 PolarHBondContact CD2-ND2 3.3Å; H352-N383 PolarHBondContact NE2-ND2 3.34Å; H352-N383 VanDerWaalsContact NE2-ND2 3.18Å; H352-Q387 VanDerWaalsContact C-OE1 3.27Å; H352-Q387 VanDerWaalsContact CB-NE2 3.33Å; H352-Q387 PolarHBondContact O-OE1 2.91Å; H352-Q387 VanDerWaalsContact O-OE1 3.11Å
353	I	96.2	Very high	94.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-27.6	-168.2	-167.8	56.1	0	0	0	112.3	V249 Y252 V253 I256 L329 P349 G350 C355 S356 V357 Q387	V249-I353 HydrophobicContact CG1-CG1 4.09Å; V249-I353 HydrophobicContact CG1-CG2 3.7Å; Y252-I353 HydrophobicContact CD1-CD1 3.87Å; Y252-I353 HydrophobicContact CE1-CD1 4.3Å; V253-I353 HydrophobicContact CG2-CD1 4.34Å; V253-I353 HydrophobicContact CG2-CG1 3.9Å; I256-I353 HydrophobicContact CD1-CD1 4.09Å; L329-I353 HydrophobicContact CD2-CB 4.49Å; L329-I353 HydrophobicContact CD2-CD1 4.27Å; L329-I353 WeakPolarHBondContact O-CG2 3.2Å; P349-I353 HydrophobicContact CB-CG2 3.97Å; G350-I353 VanDerWaalsContact O-CG2 3.32Å; G350-I353 WeakPolarHBondContact O-CG2 3.21Å; G350-I353 PolarHBondContact O-N 3.22Å; I353-C355 PolarHBondContact O-N 2.76Å; I353-S356 PolarHBondContact O-N 2.78Å; I353-V357 HydrophobicContact CD1-CG2 4.13Å; I353-V357 HydrophobicContact CG1-CG2 3.98Å; I353-V357 WeakPolarHBondContact O-CB 3.39Å; I353-V357 WeakPolarHBondContact O-CG2 3.15Å; I353-V357 PolarHBondContact O-N 3.09Å; I353-Q387 HydrophobicContact CD1-CB 4.23Å; I353-Q387 HydrophobicContact CD1-CG 4.1Å
354	E	95.4	Very high	94.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-46.5	-179.1	70.9	-168.8	-141.6	0	0	111.9	T96 V242 W351 H352 V357 M358	T96-E354 VanDerWaalsContact CB-OE1 3.3Å; T96-E354 WeakPolarHBondContact CB-OE1 3.38Å; T96-E354 WeakPolarHBondContact CG2-OE1 3.44Å; T96-E354 PolarHBondContact OG1-OE1 3.28Å; V242-E354 HydrophobicContact CB-CB 4.38Å; V242-E354 HydrophobicContact CG1-CB 3.79Å; V242-E354 HydrophobicContact CG2-CB 3.77Å; V242-E354 HydrophobicContact CG2-CG 3.92Å; V242-E354 WeakPolarHBondContact CG2-OE2 3.36Å; W351-E354 WeakPolarHBondContact O-CG 3.46Å; H352-E354 PolarHBondContact O-N 2.84Å; E354-V357 PolarHBondContact O-N 3.19Å; E354-M358 VanDerWaalsContact C-CE 3.48Å; E354-M358 HydrophobicContact CB-CE 3.82Å; E354-M358 HydrophobicContact CG-CE 4.03Å; E354-M358 WeakPolarHBondContact O-CB 3.48Å; E354-M358 WeakPolarHBondContact O-CE 3.45Å; E354-M358 WeakPolarHBondContact O-CG 3.42Å; E354-M358 PolarHBondContact O-N 3.43Å
355	C	96.6	Very high	94.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.1	-42.8	-178.4	-68.9	0	0	0	0	111	Y53 H352 I353 V357 S359 E384	Y53-C355 HydrophobicContact CE1-CB 4.17Å; Y53-C355 WeakPolarHBondContact OH-CA 3.43Å; H352-C355 PolarHBondContact O-N 2.93Å; I353-C355 PolarHBondContact O-N 2.76Å; C355-V357 VanDerWaalsContact C-N 3.31Å; C355-V357 PolarHBondContact O-N 2.99Å; C355-S359 WeakPolarHBondContact O-CB 3.49Å; C355-S359 PolarHBondContact O-N 2.73Å; C355-S359 PolarHBondContact O-OG 2.86Å; C355-E384 HydrophobicContact CB-CG 3.99Å; C355-E384 WeakPolarHBondContact CB-OE2 3.41Å
356	S	98.1	Very high	94.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55.9	-44.3	174.2	-62.5	0	0	0	0	112.5	I353 S359 S360 E384 Q387	I353-S356 PolarHBondContact O-N 2.78Å; S356-S359 PolarHBondContact O-OG 2.83Å; S356-S360 WeakPolarHBondContact O-CB 3.01Å; S356-S360 PolarHBondContact O-N 3.02Å; S356-S360 VanDerWaalsContact O-N 3.08Å; S356-S360 PolarHBondContact O-OG 2.99Å; S356-E384 VanDerWaalsContact OG-CA 3.3Å; S356-E384 WeakPolarHBondContact OG-CA 3.39Å; S356-E384 PolarHBondContact OG-O 2.88Å; S356-Q387 WeakPolarHBondContact OG-CB 3.49Å; S356-Q387 PolarHBondContact OG-OE1 3.2Å
357	V	98.1	Very high	94.4	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-72.4	-51.5	-178.2	172.7	0	0	0	0	111.2	E248 V249 Y252 I353 E354 C355 S360 A361	E248-V357 HydrophobicContact CB-CG1 3.66Å; V249-V357 HydrophobicContact CB-CG2 4.39Å; V249-V357 HydrophobicContact CG2-CB 4.07Å; V249-V357 HydrophobicContact CG2-CG1 4.01Å; V249-V357 HydrophobicContact CG2-CG2 3.95Å; Y252-V357 HydrophobicContact CD1-CG2 3.92Å; Y252-V357 HydrophobicContact CD2-CB 4.48Å; Y252-V357 HydrophobicContact CD2-CG2 3.82Å; Y252-V357 HydrophobicContact CE2-CG2 4.46Å; Y252-V357 HydrophobicContact CG-CG2 3.51Å; I353-V357 HydrophobicContact CD1-CG2 4.13Å; I353-V357 HydrophobicContact CG1-CG2 3.98Å; I353-V357 WeakPolarHBondContact O-CB 3.39Å; I353-V357 WeakPolarHBondContact O-CG2 3.15Å; I353-V357 PolarHBondContact O-N 3.09Å; E354-V357 PolarHBondContact O-N 3.19Å; C355-V357 VanDerWaalsContact C-N 3.31Å; C355-V357 PolarHBondContact O-N 2.99Å; V357-S360 PolarHBondContact O-N 3.18Å; V357-A361 VanDerWaalsContact O-CB 3.3Å; V357-A361 WeakPolarHBondContact O-CB 3.37Å; V357-A361 PolarHBondContact O-N 2.83Å
358	M	97.9	Very high	94.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-43.8	-177.6	-70.7	-178	-71.1	0	0	111.4	N94 T240 V242 Y245 E354 A361 I362	N94-M358 HydrophobicContact CB-CE 3.31Å; N94-M358 HydrophobicContact CB-SD 3.86Å; T240-M358 VanDerWaalsContact CB-SD 3.53Å; T240-M358 PolarHBondContact OG1-SD 3.02Å; V242-M358 HydrophobicContact CG2-CE 3.91Å; Y245-M358 HydrophobicContact CD1-CG 4.12Å; Y245-M358 HydrophobicContact CD2-CG 3.97Å; Y245-M358 HydrophobicContact CD2-SD 4.19Å; Y245-M358 HydrophobicContact CE2-CG 4.49Å; Y245-M358 HydrophobicContact CG-CG 3.78Å; E354-M358 VanDerWaalsContact C-CE 3.48Å; E354-M358 HydrophobicContact CB-CE 3.82Å; E354-M358 HydrophobicContact CG-CE 4.03Å; E354-M358 WeakPolarHBondContact O-CB 3.48Å; E354-M358 WeakPolarHBondContact O-CE 3.45Å; E354-M358 WeakPolarHBondContact O-CG 3.42Å; E354-M358 PolarHBondContact O-N 3.43Å; M358-A361 PolarHBondContact O-N 2.96Å; M358-I362 WeakPolarHBondContact O-CG1 3.08Å; M358-I362 PolarHBondContact O-N 3.19Å
359	S	97.4	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175.4	64.7	0	0	0	0	111.6	C355 S356 I362 C363 W397	C355-S359 WeakPolarHBondContact O-CB 3.49Å; C355-S359 PolarHBondContact O-N 2.73Å; C355-S359 PolarHBondContact O-OG 2.86Å; S356-S359 PolarHBondContact O-OG 2.83Å; S359-I362 PolarHBondContact O-N 3.18Å; S359-C363 WeakPolarHBondContact O-CA 3.35Å; S359-C363 WeakPolarHBondContact O-CB 3.47Å; S359-C363 PolarHBondContact O-N 2.67Å; S359-W397 WeakPolarHBondContact OG-CZ2 3.44Å
360	S	96.9	Very high	95	Very high	8 Å²	8	17.4 Å²	17.4	6%	0.056	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-39.3	176.3	-68.5	0	0	0	0	112.7	Y252 S356 V357 I362 G364	Y252-S360 PolarHBondContact OH-OG 2.68Å; S356-S360 WeakPolarHBondContact O-CB 3.01Å; S356-S360 PolarHBondContact O-N 3.02Å; S356-S360 VanDerWaalsContact O-N 3.08Å; S356-S360 PolarHBondContact O-OG 2.99Å; V357-S360 PolarHBondContact O-N 3.18Å; S360-I362 VanDerWaalsContact C-N 3.31Å; S360-I362 PolarHBondContact O-N 2.68Å; S360-G364 WeakPolarHBondContact O-CA 3.33Å; S360-G364 PolarHBondContact O-N 3.14Å
361	A	97.1	Very high	95.4	Very high	60 Å²	60	17.4 Å²	17.4	50%	0.496	10%	0.104	S	C	.	.	H	α-helix	trans	-64.4	-36.6	-179.7	0	0	0	0	0	112.1	Y245 V357 M358	Y245-A361 HydrophobicContact CD1-CB 4.4Å; Y245-A361 HydrophobicContact CE1-CB 4.07Å; V357-A361 VanDerWaalsContact O-CB 3.3Å; V357-A361 WeakPolarHBondContact O-CB 3.37Å; V357-A361 PolarHBondContact O-N 2.83Å; M358-A361 PolarHBondContact O-N 2.96Å
362	I	96.6	Very high	96.3	Very high	53 Å²	53	15.1 Å²	15.1	27%	0.272	10%	0.096	S	C	.	.	H	α-helix	trans	-90.5	-45.6	-179	-56.5	-58.4	0	0	0	112.1	I92 V238 T240 M358 S359 S360	I92-I362 HydrophobicContact CG1-CG2 3.99Å; V238-I362 HydrophobicContact CG1-CD1 4.21Å; V238-I362 HydrophobicContact CG1-CG1 4.29Å; V238-I362 HydrophobicContact CG1-CG2 4.43Å; T240-I362 HydrophobicContact CG2-CG1 4.24Å; M358-I362 WeakPolarHBondContact O-CG1 3.08Å; M358-I362 PolarHBondContact O-N 3.19Å; S359-I362 PolarHBondContact O-N 3.18Å; S360-I362 VanDerWaalsContact C-N 3.31Å; S360-I362 PolarHBondContact O-N 2.68Å
363	C	95.2	Very high	96.5	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.02	10%	0.099	C	C	.	.	H	α-helix	trans	-98.4	-14.3	-169.8	-58.2	0	0	0	0	113.9	R51 S359 L367	R51-C363 PolarHBondContact NH1-O 3.35Å; S359-C363 WeakPolarHBondContact O-CA 3.35Å; S359-C363 WeakPolarHBondContact O-CB 3.47Å; S359-C363 PolarHBondContact O-N 2.67Å; C363-L367 HydrophobicContact CB-CD1 4Å
364	G	93.6	Very high	96.2	Very high	28 Å²	28	20.1 Å²	20.1	29%	0.289	12%	0.12	S	C	.	.			trans	80.5	-157.7	-173.1	0	0	0	0	0	113	S360 K366	S360-G364 WeakPolarHBondContact O-CA 3.33Å; S360-G364 PolarHBondContact O-N 3.14Å; G364-K366 VanDerWaalsContact C-N 3.3Å; G364-K366 PolarHBondContact O-N 2.96Å
365	S	93.6	Very high	95.8	Very high	50 Å²	50	24 Å²	24	35%	0.35	14%	0.141	S	C	.	.	S	Bend	trans	-80.4	-5.2	-173.7	66.5	0	0	0	0	114.9
366	K	93.9	Very high	95.6	Very high	99 Å²	99	25.2 Å²	25.2	43%	0.43	15%	0.147	S	C	.	.			trans	-134.8	142.8	-179.9	-64.1	-162.8	175.3	-165.9	0	111.3	G364 W397	G364-K366 VanDerWaalsContact C-N 3.3Å; G364-K366 PolarHBondContact O-N 2.96Å; K366-W397 WeakPolarHBondContact CA-O 3.39Å
367	L	96.8	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.3	-176.2	-176.9	63.7	0	0	0	110.5	R51 C363 I369 H370 W397 V398 N399	R51-L367 HydrophobicContact CB-CD1 3.89Å; R51-L367 VanDerWaalsContact O-CD1 3.25Å; R51-L367 WeakPolarHBondContact O-CD1 3.26Å; C363-L367 HydrophobicContact CB-CD1 4Å; L367-I369 WeakPolarHBondContact CD2-O 3.46Å; L367-I369 WeakPolarHBondContact CG-O 3.5Å; L367-H370 HydrophobicContact CD2-CB 3.76Å; L367-W397 HydrophobicContact CD2-CZ2 4.32Å; L367-W397 PolarHBondContact N-O 3.29Å; L367-V398 HydrophobicContact CB-CG2 4.22Å; L367-V398 HydrophobicContact CD2-CG2 4.12Å; L367-V398 WeakPolarHBondContact O-CA 3.49Å; L367-N399 PolarHBondContact O-N 3.36Å; L367-N399 VanDerWaalsContact O-N 3.09Å
368	D	98.4	Very high	95	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.032	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-56.8	176.6	-60.9	-69.7	0	0	0	110.2	P44 N45 V50 R51 Y400	P44-D368 WeakPolarHBondContact CA-OD1 2.95Å; N45-D368 WeakPolarHBondContact CB-OD1 3.47Å; N45-D368 VanDerWaalsContact CG-OD1 3.23Å; N45-D368 PolarHBondContact N-OD1 3.4Å; N45-D368 PolarHBondContact ND2-OD1 2.87Å; V50-D368 HydrophobicContact CG1-CB 4.09Å; R51-D368 PolarHBondContact N-OD2 2.91Å; R51-D368 WeakPolarHBondContact O-CB 3.22Å; R51-D368 PolarHBondContact O-N 2.91Å; D368-Y400 WeakPolarHBondContact O-CD2 3.3Å; D368-Y400 PolarHBondContact O-N 2.99Å
369	I	98.6	Very high	94.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.8	-174.7	-59.6	174.9	0	0	0	110.3	F42 V50 R51 W52 Y53 F81 L367 A371 Y400 L402	F42-I369 HydrophobicContact CE2-CD1 3.66Å; F42-I369 HydrophobicContact CE2-CG1 3.85Å; F42-I369 HydrophobicContact CZ-CD1 4Å; F42-I369 HydrophobicContact CZ-CG1 4.43Å; V50-I369 HydrophobicContact CG1-CD1 3.8Å; V50-I369 HydrophobicContact CG1-CG1 4.25Å; R51-I369 PolarHBondContact O-N 3.36Å; R51-I369 VanDerWaalsContact O-N 3.13Å; W52-I369 WeakPolarHBondContact CA-O 3.11Å; W52-I369 HydrophobicContact CB-CB 4.25Å; W52-I369 HydrophobicContact CD2-CB 3.9Å; W52-I369 HydrophobicContact CD2-CD1 3.89Å; W52-I369 HydrophobicContact CD2-CG2 3.6Å; W52-I369 HydrophobicContact CE3-CB 4.38Å; W52-I369 HydrophobicContact CE3-CD1 3.47Å; W52-I369 VanDerWaalsContact CE3-CD1 3.47Å; W52-I369 HydrophobicContact CE3-CG2 4.27Å; W52-I369 HydrophobicContact CG-CB 3.84Å; W52-I369 HydrophobicContact CG-CG2 3.8Å; W52-I369 HydrophobicContact CH2-CD1 4.17Å; W52-I369 HydrophobicContact CH2-CG2 4.42Å; W52-I369 HydrophobicContact CZ2-CG2 3.83Å; W52-I369 HydrophobicContact CZ3-CD1 3.62Å; Y53-I369 PolarHBondContact N-O 3.21Å; F81-I369 HydrophobicContact CD1-CD1 4.49Å; F81-I369 HydrophobicContact CE1-CD1 3.92Å; F81-I369 HydrophobicContact CZ-CD1 4.4Å; L367-I369 WeakPolarHBondContact CD2-O 3.46Å; L367-I369 WeakPolarHBondContact CG-O 3.5Å; I369-A371 HydrophobicContact CG2-CB 4.44Å; I369-Y400 WeakPolarHBondContact CA-O 3Å; I369-L402 HydrophobicContact CG2-CD1 3.91Å; I369-L402 HydrophobicContact CG2-CD2 3.99Å; I369-L402 HydrophobicContact CG2-CG 4.35Å
370	H	98.6	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.8	164.2	-168.4	81.5	0	0	0	109.4	Y53 L367 H381 E384 V398 Y400 F401 L402	Y53-H370 AromaticContact CD1-CE1 3.33Å; Y53-H370 WeakPolarHBondContact CD1-CE1 3.08Å; Y53-H370 AromaticContact CD1-ND1 3.39Å; Y53-H370 WeakPolarHBondContact CD1-ND1 3.31Å; Y53-H370 AromaticContact CE1-CE1 3.72Å; Y53-H370 WeakPolarHBondContact O-CA 3.48Å; L367-H370 HydrophobicContact CD2-CB 3.76Å; H370-H381 AromaticContact CD2-CD2 3.81Å; H370-H381 AromaticContact CD2-CE1 3.65Å; H370-H381 AromaticContact CD2-CG 3.78Å; H370-H381 AromaticContact CD2-ND1 3.66Å; H370-H381 AromaticContact CD2-NE2 3.8Å; H370-H381 AromaticContact NE2-CD2 3.23Å; H370-H381 PolarHBondContact NE2-CD2 3.45Å; H370-H381 AromaticContact NE2-CE1 3.66Å; H370-H381 AromaticContact NE2-CG 3.66Å; H370-H381 AromaticContact NE2-ND1 3.88Å; H370-H381 AromaticContact NE2-NE2 3.31Å; H370-H381 PolarHBondContact NE2-NE2 3.41Å; H370-E384 IonicContact CE1-OE2 3.98Å; H370-E384 PolarHBondContact CE1-OE2 3.27Å; H370-E384 IonicContact NE2-OE1 3.7Å; H370-E384 IonicContact NE2-OE2 2.79Å; H370-E384 PolarHBondContact NE2-OE2 3.47Å; H370-V398 HydrophobicContact CB-CB 4.41Å; H370-V398 HydrophobicContact CB-CG1 3.61Å; H370-V398 HydrophobicContact CB-CG2 3.94Å; H370-Y400 PolarHBondContact N-O 2.98Å; H370-F401 HydrophobicContact CB-CD1 3.92Å; H370-F401 HydrophobicContact CB-CE1 3.75Å; H370-F401 HydrophobicContact CB-CZ 4.42Å; H370-F401 AromaticContact CD2-CD1 3.85Å; H370-F401 AromaticContact CD2-CE1 3.49Å; H370-F401 VanDerWaalsContact CD2-CE1 3.49Å; H370-F401 WeakPolarHBondContact CD2-CE1 3.4Å; H370-F401 AromaticContact CG-CE1 3.89Å; H370-F401 WeakPolarHBondContact O-CA 3.48Å; H370-L402 PolarHBondContact O-N 2.9Å
371	A	98.1	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.7	-173.7	0	0	0	0	0	114.6	W52 Y53 I54 C55 L74 I369 L402	W52-A371 HydrophobicContact CZ2-CB 4.28Å; W52-A371 VanDerWaalsContact NE1-CB 3.34Å; Y53-A371 PolarHBondContact O-N 3.41Å; I54-A371 VanDerWaalsContact CA-O 3.26Å; I54-A371 WeakPolarHBondContact CA-O 3.38Å; I54-A371 HydrophobicContact CG2-CB 3.92Å; C55-A371 PolarHBondContact N-O 3.14Å; L74-A371 HydrophobicContact CD1-CB 4.38Å; L74-A371 HydrophobicContact CD2-CB 3.59Å; I369-A371 HydrophobicContact CG2-CB 4.44Å; A371-L402 WeakPolarHBondContact CA-O 3.5Å; A371-L402 HydrophobicContact CB-CB 3.87Å; A371-L402 WeakPolarHBondContact CB-O 3.42Å
372	G	96.2	Very high	94.3	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-172.2	-179	0	0	0	0	0	113.3	L402 H403 C404	G372-L402 PolarHBondContact N-O 3.01Å; G372-L402 VanDerWaalsContact N-O 3.12Å; G372-H403 CarbonylContact O-C 3.57Å; G372-H403 WeakPolarHBondContact O-CA 3.49Å; G372-C404 PolarHBondContact O-N 3.11Å
373	G	93.1	Very high	94.2	Very high	8 Å²	8	22.3 Å²	22.3	8%	0.082	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	155.3	169.4	0	0	0	0	0	111.8	D375 L376	G373-D375 PolarHBondContact O-N 3.31Å; G373-D375 VanDerWaalsContact O-N 3.17Å; G373-L376 WeakPolarHBondContact O-CB 3.45Å; G373-L376 PolarHBondContact O-N 3.23Å
374	F	90.4	Very high	94.3	Very high	100 Å²	100	22.2 Å²	22.2	44%	0.439	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-53.4	-34.5	176.9	179.7	-87.4	0	0	0	113.7	L376 K377 C404	F374-L376 PolarHBondContact O-N 3.17Å; F374-K377 HydrophobicContact CD2-CD 4.17Å; F374-K377 HydrophobicContact CE2-CD 4.11Å; F374-K377 WeakPolarHBondContact O-CB 3.13Å; F374-K377 WeakPolarHBondContact O-CG 3.34Å; F374-K377 PolarHBondContact O-N 2.83Å; F374-C404 WeakPolarHBondContact CB-O 3.33Å; F374-C404 PolarHBondContact N-O 3.34Å
375	D	86.8	Confident	94.5	Very high	83 Å²	83	21.1 Å²	21.1	44%	0.444	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-72.1	-12.4	178.6	50.9	-15.2	0	0	0	114.4	G373 K377 K413	G373-D375 PolarHBondContact O-N 3.31Å; G373-D375 VanDerWaalsContact O-N 3.17Å; D375-K377 VanDerWaalsContact C-N 3.35Å; D375-K413 IonicContact OD2-NZ 3.79Å; D375-K413 PolarHBondContact OD2-NZ 3.25Å
376	L	92.6	Very high	94.6	Very high	24 Å²	24	18.8 Å²	18.8	13%	0.126	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-82.6	-12.6	173.3	-59.4	-177.6	0	0	0	113.1	C55 W351 G373 F374 F378 H380 H381	C55-L376 HydrophobicContact CB-CD1 3.55Å; W351-L376 HydrophobicContact CH2-CD2 4.4Å; W351-L376 HydrophobicContact CZ2-CD2 4.21Å; G373-L376 WeakPolarHBondContact O-CB 3.45Å; G373-L376 PolarHBondContact O-N 3.23Å; F374-L376 PolarHBondContact O-N 3.17Å; L376-F378 PolarHBondContact O-N 2.82Å; L376-H380 HydrophobicContact CB-CB 4.34Å; L376-H380 HydrophobicContact CD2-CB 4.12Å; L376-H380 WeakPolarHBondContact O-CB 3.33Å; L376-H381 WeakPolarHBondContact CB-NE2 3.39Å; L376-H381 WeakPolarHBondContact O-CB 3.31Å; L376-H381 PolarHBondContact O-N 3.45Å
377	K	92.3	Very high	94.8	Very high	31 Å²	31	14.1 Å²	14.1	14%	0.135	7%	0.071	C	C	.	.	I	π-helix	trans	-49.4	-50.3	176.1	-77.6	-174.1	176.2	-166.3	0	111.7	V289 F374 D375 D382 H403	V289-K377 HydrophobicContact CG2-CB 3.84Å; F374-K377 HydrophobicContact CD2-CD 4.17Å; F374-K377 HydrophobicContact CE2-CD 4.11Å; F374-K377 WeakPolarHBondContact O-CB 3.13Å; F374-K377 WeakPolarHBondContact O-CG 3.34Å; F374-K377 PolarHBondContact O-N 2.83Å; D375-K377 VanDerWaalsContact C-N 3.35Å; K377-D382 PolarHBondContact O-N 2.98Å; K377-H403 HydrophobicContact CD-CB 4.45Å; K377-H403 VanDerWaalsContact CE-CB 3.44Å; K377-H403 VanDerWaalsContact CE-CG 3.41Å; K377-H403 WeakPolarHBondContact CE-ND1 3.45Å; K377-H403 HydrophobicContact CG-CB 4.21Å; K377-H403 WeakPolarHBondContact CG-CD2 3.41Å; K377-H403 VanDerWaalsContact CG-NE2 3.33Å; K377-H403 WeakPolarHBondContact CG-NE2 3.42Å
378	F	90.3	Very high	94.9	Very high	18 Å²	18	14.1 Å²	14.1	8%	0.079	7%	0.072	C	C	.	.	I	π-helix	trans	-141.3	134.9	179.5	-174.1	-87.5	0	0	0	110.5	A286 V289 A292 L300 N303 M304 L376 D382	A286-F378 HydrophobicContact CB-CE2 4.4Å; V289-F378 HydrophobicContact CB-CB 4.02Å; V289-F378 HydrophobicContact CB-CD2 4.47Å; V289-F378 HydrophobicContact CB-CG 4.49Å; V289-F378 HydrophobicContact CG2-CB 3.8Å; A292-F378 HydrophobicContact CB-CD1 3.87Å; A292-F378 HydrophobicContact CB-CD2 3.88Å; A292-F378 HydrophobicContact CB-CE1 3.94Å; A292-F378 HydrophobicContact CB-CE2 3.96Å; A292-F378 HydrophobicContact CB-CG 3.84Å; A292-F378 HydrophobicContact CB-CZ 3.99Å; L300-F378 HydrophobicContact CD1-CE1 3.83Å; L300-F378 HydrophobicContact CD1-CE2 4.5Å; L300-F378 HydrophobicContact CD1-CZ 3.39Å; N303-F378 HydrophobicContact CB-CD1 4.02Å; N303-F378 HydrophobicContact CB-CE1 3.79Å; M304-F378 HydrophobicContact CE-CE2 4.45Å; M304-F378 HydrophobicContact CE-CZ 3.76Å; L376-F378 PolarHBondContact O-N 2.82Å; F378-D382 HydrophobicContact CD2-CB 4.01Å
379	P	90.3	Very high	94.8	Very high	11 Å²	11	14.2 Å²	14.2	7%	0.071	7%	0.072	C	C	.	.	I	π-helix	cis	-85.7	-8	0.3	33.5	-33.2	0	0	0	113.4	M304 N383	M304-P379 HydrophobicContact SD-CB 4.22Å; P379-N383 VanDerWaalsContact O-CB 3.25Å; P379-N383 WeakPolarHBondContact O-CB 3.43Å; P379-N383 PolarHBondContact O-N 3.07Å; P379-N383 PolarHBondContact O-ND2 2.92Å; P379-N383 PolarHBondContact O-OD1 2.88Å
380	H	93.3	Very high	94.8	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.019	7%	0.071	C	C	.	.	I	π-helix	trans	-60.7	-62.4	-163.4	-171.9	75.7	0	0	0	114.4	W351 H352 L376 D382 N383 E384	W351-H380 AromaticContact CE2-ND1 3.99Å; W351-H380 AromaticContact NE1-CE1 3.93Å; W351-H380 PolarHBondContact O-CE1 3.18Å; W351-H380 VanDerWaalsContact O-CE1 3.31Å; H352-H380 AromaticContact CE1-ND1 3.85Å; H352-H380 WeakPolarHBondContact ND1-CA 3.43Å; H352-H380 AromaticContact ND1-CG 3.84Å; H352-H380 AromaticContact ND1-ND1 3.17Å; H352-H380 PolarHBondContact ND1-ND1 2.88Å; H352-H380 VanDerWaalsContact ND1-ND1 3.17Å; L376-H380 HydrophobicContact CB-CB 4.34Å; L376-H380 HydrophobicContact CD2-CB 4.12Å; L376-H380 WeakPolarHBondContact O-CB 3.33Å; H380-D382 PolarHBondContact O-N 3.42Å; H380-N383 WeakPolarHBondContact O-CB 3.49Å; H380-N383 PolarHBondContact O-N 3.47Å; H380-E384 IonicContact CD2-OE1 2.69Å; H380-E384 PolarHBondContact CD2-OE1 3.2Å; H380-E384 IonicContact CE1-OE1 2.68Å; H380-E384 IonicContact CG-OE1 3.16Å; H380-E384 IonicContact NE2-OE1 3.86Å; H380-E384 PolarHBondContact NE2-OE1 3.03Å; H380-E384 WeakPolarHBondContact O-CG 3.44Å; H380-E384 PolarHBondContact O-N 3.25Å
381	H	96.4	Very high	94.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-69.4	-32.8	-178.9	-65.8	174.9	0	0	0	112.7	C55 L288 H370 L376 N383 E384 I385 F401 H403	C55-H381 PolarHBondContact SG-NE2 3.33Å; C55-H381 VanDerWaalsContact SG-NE2 3.37Å; L288-H381 HydrophobicContact CD1-CB 3.55Å; H370-H381 AromaticContact CD2-CD2 3.81Å; H370-H381 AromaticContact CD2-CE1 3.65Å; H370-H381 AromaticContact CD2-CG 3.78Å; H370-H381 AromaticContact CD2-ND1 3.66Å; H370-H381 AromaticContact CD2-NE2 3.8Å; H370-H381 AromaticContact NE2-CD2 3.23Å; H370-H381 PolarHBondContact NE2-CD2 3.45Å; H370-H381 AromaticContact NE2-CE1 3.66Å; H370-H381 AromaticContact NE2-CG 3.66Å; H370-H381 AromaticContact NE2-ND1 3.88Å; H370-H381 AromaticContact NE2-NE2 3.31Å; H370-H381 PolarHBondContact NE2-NE2 3.41Å; L376-H381 WeakPolarHBondContact CB-NE2 3.39Å; L376-H381 WeakPolarHBondContact O-CB 3.31Å; L376-H381 PolarHBondContact O-N 3.45Å; H381-N383 VanDerWaalsContact C-N 3.29Å; H381-N383 PolarHBondContact O-N 3.31Å; H381-E384 IonicContact CD2-OE1 3.81Å; H381-E384 PolarHBondContact CD2-OE1 3Å; H381-E384 VanDerWaalsContact CD2-OE1 3.27Å; H381-E384 PolarHBondContact O-N 2.96Å; H381-I385 VanDerWaalsContact O-CG1 3.22Å; H381-I385 WeakPolarHBondContact O-CG1 3.41Å; H381-I385 PolarHBondContact O-N 3.32Å; H381-F401 HydrophobicContact CB-CE1 4.22Å; H381-H403 AromaticContact CE1-CD2 3.78Å; H381-H403 AromaticContact CE1-NE2 3.39Å; H381-H403 PolarHBondContact CE1-NE2 3.47Å; H381-H403 AromaticContact CG-NE2 3.85Å; H381-H403 AromaticContact ND1-CD2 3.59Å; H381-H403 AromaticContact ND1-CE1 3.66Å; H381-H403 AromaticContact ND1-NE2 2.75Å; H381-H403 PolarHBondContact ND1-NE2 3.23Å
382	D	94.9	Very high	94.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-61.8	-38.2	172.1	-92.8	-45.3	0	0	0	112.1	A286 K287 L288 V289 K377 F378 H380 A386	A286-D382 VanDerWaalsContact CA-CG 3.5Å; A286-D382 VanDerWaalsContact CA-OD1 3.25Å; A286-D382 WeakPolarHBondContact CA-OD1 3.18Å; K287-D382 PolarHBondContact N-OD1 2.62Å; L288-D382 WeakPolarHBondContact CB-OD1 3.46Å; L288-D382 WeakPolarHBondContact CB-OD2 3.44Å; L288-D382 PolarHBondContact N-OD1 2.95Å; V289-D382 PolarHBondContact N-OD2 3.3Å; V289-D382 VanDerWaalsContact N-OD2 3.09Å; K377-D382 PolarHBondContact O-N 2.98Å; F378-D382 HydrophobicContact CD2-CB 4.01Å; H380-D382 PolarHBondContact O-N 3.42Å; D382-A386 PolarHBondContact O-N 2.8Å; D382-A386 VanDerWaalsContact O-N 3.1Å
383	N	95.4	Very high	94.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.9	-38.2	173.8	-70	-1.3	0	0	0	111.7	Y285 F327 H352 P379 H380 H381 A386 Q387	Y285-N383 PolarHBondContact OH-OD1 3.1Å; F327-N383 HydrophobicContact CD2-CB 4.27Å; F327-N383 HydrophobicContact CE1-CB 4.21Å; F327-N383 WeakPolarHBondContact CE1-OD1 3.41Å; F327-N383 HydrophobicContact CE2-CB 3.83Å; F327-N383 WeakPolarHBondContact CG-ND2 3.22Å; F327-N383 HydrophobicContact CZ-CB 3.79Å; H352-N383 HydrophobicContact CB-CB 3.91Å; H352-N383 PolarHBondContact CD2-ND2 3.3Å; H352-N383 PolarHBondContact NE2-ND2 3.34Å; H352-N383 VanDerWaalsContact NE2-ND2 3.18Å; P379-N383 VanDerWaalsContact O-CB 3.25Å; P379-N383 WeakPolarHBondContact O-CB 3.43Å; P379-N383 PolarHBondContact O-N 3.07Å; P379-N383 PolarHBondContact O-ND2 2.92Å; P379-N383 PolarHBondContact O-OD1 2.88Å; H380-N383 WeakPolarHBondContact O-CB 3.49Å; H380-N383 PolarHBondContact O-N 3.47Å; H381-N383 VanDerWaalsContact C-N 3.29Å; H381-N383 PolarHBondContact O-N 3.31Å; N383-A386 PolarHBondContact O-N 3.37Å; N383-Q387 WeakPolarHBondContact O-CB 3.37Å; N383-Q387 WeakPolarHBondContact O-CG 3.38Å; N383-Q387 PolarHBondContact O-N 2.91Å
384	E	97.3	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-44.9	174.4	-70.6	178	-123.2	0	0	111.8	C355 S356 H370 H380 H381 A386 Q387 V388 W397	C355-E384 HydrophobicContact CB-CG 3.99Å; C355-E384 WeakPolarHBondContact CB-OE2 3.41Å; S356-E384 VanDerWaalsContact OG-CA 3.3Å; S356-E384 WeakPolarHBondContact OG-CA 3.39Å; S356-E384 PolarHBondContact OG-O 2.88Å; H370-E384 IonicContact CE1-OE2 3.98Å; H370-E384 PolarHBondContact CE1-OE2 3.27Å; H370-E384 IonicContact NE2-OE1 3.7Å; H370-E384 IonicContact NE2-OE2 2.79Å; H370-E384 PolarHBondContact NE2-OE2 3.47Å; H380-E384 IonicContact CD2-OE1 2.69Å; H380-E384 PolarHBondContact CD2-OE1 3.2Å; H380-E384 IonicContact CE1-OE1 2.68Å; H380-E384 IonicContact CG-OE1 3.16Å; H380-E384 IonicContact NE2-OE1 3.86Å; H380-E384 PolarHBondContact NE2-OE1 3.03Å; H380-E384 WeakPolarHBondContact O-CG 3.44Å; H380-E384 PolarHBondContact O-N 3.25Å; H381-E384 IonicContact CD2-OE1 3.81Å; H381-E384 PolarHBondContact CD2-OE1 3Å; H381-E384 VanDerWaalsContact CD2-OE1 3.27Å; H381-E384 PolarHBondContact O-N 2.96Å; E384-A386 VanDerWaalsContact C-N 3.32Å; E384-A386 PolarHBondContact O-N 3.46Å; E384-Q387 PolarHBondContact O-N 2.96Å; E384-V388 WeakPolarHBondContact O-CG2 3.43Å; E384-V388 PolarHBondContact O-N 3.44Å; E384-W397 HydrophobicContact CB-CH2 3.82Å; E384-W397 HydrophobicContact CB-CZ3 3.63Å
385	I	97.1	Very high	94.9	Very high	6 Å²	6	21 Å²	21	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-53.4	-53.4	173.7	-69.9	164.9	0	0	0	109.8	K287 L288 H381 Q387 V388 E389 W397 F401	K287-I385 HydrophobicContact CD-CG2 4.02Å; L288-I385 HydrophobicContact CD1-CD1 3.65Å; L288-I385 HydrophobicContact CG-CD1 3.72Å; H381-I385 VanDerWaalsContact O-CG1 3.22Å; H381-I385 WeakPolarHBondContact O-CG1 3.41Å; H381-I385 PolarHBondContact O-N 3.32Å; I385-Q387 VanDerWaalsContact C-N 3.32Å; I385-Q387 PolarHBondContact O-N 3.4Å; I385-V388 PolarHBondContact O-N 3.03Å; I385-E389 HydrophobicContact CG2-CG 4.3Å; I385-E389 VanDerWaalsContact CG2-OE1 3.25Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.47Å; I385-E389 WeakPolarHBondContact O-CB 3.29Å; I385-E389 WeakPolarHBondContact O-CG 3.45Å; I385-E389 PolarHBondContact O-N 2.93Å; I385-W397 HydrophobicContact CB-CE3 4.49Å; I385-W397 HydrophobicContact CG1-CE3 4.07Å; I385-W397 HydrophobicContact CG1-CZ3 4.19Å; I385-F401 HydrophobicContact CD1-CE1 4.22Å; I385-F401 HydrophobicContact CD1-CE2 3.81Å; I385-F401 HydrophobicContact CD1-CZ 3.48Å; I385-F401 VanDerWaalsContact CD1-CZ 3.48Å; I385-F401 HydrophobicContact CG1-CE1 4.38Å; I385-F401 HydrophobicContact CG1-CE2 4.2Å; I385-F401 HydrophobicContact CG1-CZ 3.56Å
386	A	96.9	Very high	95.2	Very high	1 Å²	1	23 Å²	23	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-41.9	-179.3	0	0	0	0	0	112.4	F272 F277 Y285 D382 N383 E384 A390	F272-A386 HydrophobicContact CE1-CB 4.01Å; F272-A386 HydrophobicContact CE2-CB 4.41Å; F272-A386 HydrophobicContact CZ-CB 3.75Å; F277-A386 HydrophobicContact CD1-CB 4.41Å; F277-A386 HydrophobicContact CE1-CB 3.97Å; F277-A386 HydrophobicContact CZ-CB 4.17Å; Y285-A386 HydrophobicContact CD2-CB 3.77Å; Y285-A386 HydrophobicContact CE2-CB 4.01Å; D382-A386 PolarHBondContact O-N 2.8Å; D382-A386 VanDerWaalsContact O-N 3.1Å; N383-A386 PolarHBondContact O-N 3.37Å; E384-A386 VanDerWaalsContact C-N 3.32Å; E384-A386 PolarHBondContact O-N 3.46Å; A386-A390 WeakPolarHBondContact O-CB 3.41Å; A386-A390 PolarHBondContact O-N 3.06Å
387	Q	97.9	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-45.5	179.9	-74.1	166.9	-14.4	0	0	112.9	I256 F272 F327 L329 H352 I353 S356 N383 E384 I385 H391	I256-Q387 HydrophobicContact CD1-CB 4.39Å; F272-Q387 HydrophobicContact CD2-CG 4.39Å; F327-Q387 HydrophobicContact CE2-CG 3.98Å; F327-Q387 HydrophobicContact CZ-CG 4.35Å; L329-Q387 HydrophobicContact CD2-CG 3.82Å; H352-Q387 VanDerWaalsContact C-OE1 3.27Å; H352-Q387 VanDerWaalsContact CB-NE2 3.33Å; H352-Q387 PolarHBondContact O-OE1 2.91Å; H352-Q387 VanDerWaalsContact O-OE1 3.11Å; I353-Q387 HydrophobicContact CD1-CB 4.23Å; I353-Q387 HydrophobicContact CD1-CG 4.1Å; S356-Q387 WeakPolarHBondContact OG-CB 3.49Å; S356-Q387 PolarHBondContact OG-OE1 3.2Å; N383-Q387 WeakPolarHBondContact O-CB 3.37Å; N383-Q387 WeakPolarHBondContact O-CG 3.38Å; N383-Q387 PolarHBondContact O-N 2.91Å; E384-Q387 PolarHBondContact O-N 2.96Å; I385-Q387 VanDerWaalsContact C-N 3.32Å; I385-Q387 PolarHBondContact O-N 3.4Å; Q387-H391 WeakPolarHBondContact O-CB 3.31Å; Q387-H391 PolarHBondContact O-N 3.21Å
388	V	97.9	Very high	95.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-70.5	-44.6	-178.3	179.5	0	0	0	0	110.8	Y252 E384 I385 A390 H391 Y392 W397	Y252-V388 WeakPolarHBondContact OH-CA 3.45Å; E384-V388 WeakPolarHBondContact O-CG2 3.43Å; E384-V388 PolarHBondContact O-N 3.44Å; I385-V388 PolarHBondContact O-N 3.03Å; V388-A390 VanDerWaalsContact C-N 3.31Å; V388-A390 PolarHBondContact O-N 3.26Å; V388-H391 PolarHBondContact O-N 2.91Å; V388-Y392 HydrophobicContact CG1-CD2 3.72Å; V388-Y392 HydrophobicContact CG1-CE2 3.88Å; V388-Y392 WeakPolarHBondContact O-CD2 3.41Å; V388-Y392 PolarHBondContact O-N 3.32Å; V388-Y392 VanDerWaalsContact O-N 3.09Å; V388-W397 HydrophobicContact CB-CB 4.46Å; V388-W397 HydrophobicContact CB-CD2 3.72Å; V388-W397 HydrophobicContact CB-CE3 3.95Å; V388-W397 HydrophobicContact CB-CG 3.97Å; V388-W397 HydrophobicContact CB-CZ3 4.49Å; V388-W397 HydrophobicContact CG1-CB 4.04Å; V388-W397 HydrophobicContact CG1-CD2 3.72Å; V388-W397 HydrophobicContact CG1-CE3 4.45Å; V388-W397 HydrophobicContact CG1-CG 3.5Å; V388-W397 VanDerWaalsContact CG1-CG 3.5Å; V388-W397 HydrophobicContact CG2-CD2 3.82Å; V388-W397 HydrophobicContact CG2-CE3 3.96Å; V388-W397 HydrophobicContact CG2-CG 4.49Å; V388-W397 HydrophobicContact CG2-CH2 3.97Å; V388-W397 HydrophobicContact CG2-CZ2 3.84Å; V388-W397 HydrophobicContact CG2-CZ3 4.04Å
389	E	97.4	Very high	95.9	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-38.2	176.4	-65.2	-176.6	-178	0	0	111.6	F277 H283 K287 I385 D393 D394 W397	F277-E389 HydrophobicContact CE2-CB 4.24Å; F277-E389 HydrophobicContact CZ-CB 4.05Å; H283-E389 IonicContact ND1-OE2 3.64Å; K287-E389 WeakPolarHBondContact CE-OE2 3.32Å; K287-E389 IonicContact NZ-OE1 3.38Å; K287-E389 PolarHBondContact NZ-OE1 3.3Å; K287-E389 IonicContact NZ-OE2 2.7Å; K287-E389 PolarHBondContact NZ-OE2 2.71Å; I385-E389 HydrophobicContact CG2-CG 4.3Å; I385-E389 VanDerWaalsContact CG2-OE1 3.25Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.47Å; I385-E389 WeakPolarHBondContact O-CB 3.29Å; I385-E389 WeakPolarHBondContact O-CG 3.45Å; I385-E389 PolarHBondContact O-N 2.93Å; E389-D393 WeakPolarHBondContact O-CA 3.41Å; E389-D393 PolarHBondContact O-N 3Å; E389-D394 WeakPolarHBondContact CA-O 3.24Å; E389-D394 WeakPolarHBondContact CB-O 3.41Å; E389-D394 VanDerWaalsContact CG-O 3.27Å; E389-D394 WeakPolarHBondContact CG-O 3.39Å; E389-D394 PolarHBondContact O-N 2.78Å; E389-W397 HydrophobicContact CG-CB 4.47Å
390	A	97.6	Very high	96.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-35.4	174.6	0	0	0	0	0	112.9	I256 N259 Y261 F272 F277 A386 V388	I256-A390 HydrophobicContact CG1-CB 4.47Å; I256-A390 HydrophobicContact CG2-CB 4.14Å; N259-A390 PolarHBondContact ND2-O 2.95Å; Y261-A390 HydrophobicContact CD2-CB 3.5Å; Y261-A390 WeakPolarHBondContact CD2-O 3.46Å; Y261-A390 HydrophobicContact CE2-CB 4.28Å; Y261-A390 HydrophobicContact CG-CB 3.9Å; F272-A390 HydrophobicContact CE2-CB 3.62Å; F272-A390 HydrophobicContact CZ-CB 3.98Å; F277-A390 HydrophobicContact CD2-CB 4.06Å; F277-A390 HydrophobicContact CE2-CB 3.95Å; A386-A390 WeakPolarHBondContact O-CB 3.41Å; A386-A390 PolarHBondContact O-N 3.06Å; V388-A390 VanDerWaalsContact C-N 3.31Å; V388-A390 PolarHBondContact O-N 3.26Å
391	H	97.9	Very high	96.5	Very high	32 Å²	32	23.7 Å²	23.7	15%	0.148	12%	0.115	C	C	.	.	H	α-helix	trans	-69.3	-46.5	178.7	178.6	94.1	0	0	0	112.4	Y252 K255 I256 N259 Q387 V388	Y252-H391 HydrophobicContact CD1-CB 4.01Å; Y252-H391 AromaticContact CD1-CG 3.87Å; Y252-H391 AromaticContact CD1-ND1 3.38Å; Y252-H391 WeakPolarHBondContact CD1-ND1 3.41Å; Y252-H391 AromaticContact CD2-CE1 3.38Å; Y252-H391 WeakPolarHBondContact CD2-CE1 3.49Å; Y252-H391 AromaticContact CD2-CG 3.97Å; Y252-H391 AromaticContact CD2-ND1 3.42Å; Y252-H391 WeakPolarHBondContact CD2-ND1 3.2Å; Y252-H391 AromaticContact CD2-NE2 3.93Å; Y252-H391 HydrophobicContact CE1-CB 3.28Å; Y252-H391 AromaticContact CE1-CG 3.45Å; Y252-H391 VanDerWaalsContact CE1-CG 3.45Å; Y252-H391 AromaticContact CE1-ND1 3.49Å; Y252-H391 WeakPolarHBondContact CE1-ND1 3.44Å; Y252-H391 HydrophobicContact CE2-CB 4.2Å; Y252-H391 AromaticContact CE2-CD2 3.66Å; Y252-H391 AromaticContact CE2-CE1 3.6Å; Y252-H391 AromaticContact CE2-CG 3.55Å; Y252-H391 AromaticContact CE2-ND1 3.52Å; Y252-H391 AromaticContact CE2-NE2 3.73Å; Y252-H391 AromaticContact CG-CE1 3.69Å; Y252-H391 AromaticContact CG-ND1 3.35Å; Y252-H391 AromaticContact CZ-CD2 3.72Å; Y252-H391 AromaticContact CZ-CG 3.27Å; Y252-H391 AromaticContact CZ-ND1 3.55Å; Y252-H391 PolarHBondContact O-ND1 2.91Å; Y252-H391 WeakPolarHBondContact OH-CB 3.28Å; K255-H391 WeakPolarHBondContact CB-ND1 3.27Å; I256-H391 HydrophobicContact CG1-CB 4.07Å; N259-H391 PolarHBondContact ND2-O 3.25Å; Q387-H391 WeakPolarHBondContact O-CB 3.31Å; Q387-H391 PolarHBondContact O-N 3.21Å; V388-H391 PolarHBondContact O-N 2.91Å
392	Y	97.1	Very high	96.6	Very high	91 Å²	91	23.8 Å²	23.8	36%	0.357	12%	0.116	S	C	.	.	H	α-helix	trans	-87.5	-13.6	-179	-68.6	-69.3	0	0	0	113.9	V388 D394	V388-Y392 HydrophobicContact CG1-CD2 3.72Å; V388-Y392 HydrophobicContact CG1-CE2 3.88Å; V388-Y392 WeakPolarHBondContact O-CD2 3.41Å; V388-Y392 PolarHBondContact O-N 3.32Å; V388-Y392 VanDerWaalsContact O-N 3.09Å; Y392-D394 PolarHBondContact O-N 3.26Å
393	D	95.3	Very high	96.7	Very high	49 Å²	49	23.9 Å²	23.9	26%	0.262	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	35.7	-169.3	-160.7	51.3	0	0	0	113.3	Y261 K282 H283 E389	Y261-D393 PolarHBondContact OH-OD1 3.41Å; K282-D393 IonicContact NZ-OD2 2.65Å; K282-D393 PolarHBondContact NZ-OD2 2.79Å; H283-D393 IonicContact CD2-OD1 3.07Å; H283-D393 IonicContact CE1-OD1 2.88Å; H283-D393 IonicContact NE2-OD1 2.97Å; H283-D393 PolarHBondContact NE2-OD1 3.39Å; E389-D393 WeakPolarHBondContact O-CA 3.41Å; E389-D393 PolarHBondContact O-N 3Å
394	D	94.5	Very high	96.7	Very high	54 Å²	54	23.9 Å²	23.9	29%	0.289	12%	0.116	S	C	.	.			trans	-126.2	124.8	177.7	-177.7	-8.6	0	0	0	109	E389 Y392 H396	E389-D394 WeakPolarHBondContact CA-O 3.24Å; E389-D394 WeakPolarHBondContact CB-O 3.41Å; E389-D394 VanDerWaalsContact CG-O 3.27Å; E389-D394 WeakPolarHBondContact CG-O 3.39Å; E389-D394 PolarHBondContact O-N 2.78Å; Y392-D394 PolarHBondContact O-N 3.26Å; D394-H396 PolarHBondContact O-N 3.48Å; D394-H396 PolarHBondContact OD1-N 3.26Å; D394-H396 VanDerWaalsContact OD1-N 3.08Å; D394-H396 IonicContact OD1-ND1 2.96Å; D394-H396 PolarHBondContact OD1-ND1 3.24Å
395	P	93.7	Very high	96.4	Very high	29 Å²	29	24 Å²	24	19%	0.188	12%	0.117	C	C	.	.	S	Bend	trans	-81.1	12.8	-177.1	33.9	-37.2	0	0	0	115.3	K282 K287	K282-P395 WeakPolarHBondContact O-CB 3.42Å; K282-P395 WeakPolarHBondContact O-CG 3.29Å; K287-P395 PolarHBondContact NZ-O 2.72Å
396	H	92.4	Very high	96	Very high	125 Å²	125	25 Å²	25	58%	0.579	12%	0.123	S	C	*	.			trans	-124.9	89.3	-179.3	-58.3	92.4	0	0	0	112.3	D394	D394-H396 PolarHBondContact O-N 3.48Å; D394-H396 PolarHBondContact OD1-N 3.26Å; D394-H396 VanDerWaalsContact OD1-N 3.08Å; D394-H396 IonicContact OD1-ND1 2.96Å; D394-H396 PolarHBondContact OD1-ND1 3.24Å
397	W	95.2	Very high	95.6	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.019	12%	0.124	C	C	.	.			trans	-94.9	-61.6	175.5	175.3	37.1	0	0	0	113.9	S359 K366 L367 E384 I385 V388 E389	S359-W397 WeakPolarHBondContact OG-CZ2 3.44Å; K366-W397 WeakPolarHBondContact CA-O 3.39Å; L367-W397 HydrophobicContact CD2-CZ2 4.32Å; L367-W397 PolarHBondContact N-O 3.29Å; E384-W397 HydrophobicContact CB-CH2 3.82Å; E384-W397 HydrophobicContact CB-CZ3 3.63Å; I385-W397 HydrophobicContact CB-CE3 4.49Å; I385-W397 HydrophobicContact CG1-CE3 4.07Å; I385-W397 HydrophobicContact CG1-CZ3 4.19Å; V388-W397 HydrophobicContact CB-CB 4.46Å; V388-W397 HydrophobicContact CB-CD2 3.72Å; V388-W397 HydrophobicContact CB-CE3 3.95Å; V388-W397 HydrophobicContact CB-CG 3.97Å; V388-W397 HydrophobicContact CB-CZ3 4.49Å; V388-W397 HydrophobicContact CG1-CB 4.04Å; V388-W397 HydrophobicContact CG1-CD2 3.72Å; V388-W397 HydrophobicContact CG1-CE3 4.45Å; V388-W397 HydrophobicContact CG1-CG 3.5Å; V388-W397 VanDerWaalsContact CG1-CG 3.5Å; V388-W397 HydrophobicContact CG2-CD2 3.82Å; V388-W397 HydrophobicContact CG2-CE3 3.96Å; V388-W397 HydrophobicContact CG2-CG 4.49Å; V388-W397 HydrophobicContact CG2-CH2 3.97Å; V388-W397 HydrophobicContact CG2-CZ2 3.84Å; V388-W397 HydrophobicContact CG2-CZ3 4.04Å; E389-W397 HydrophobicContact CG-CB 4.47Å
398	V	97.4	Very high	95	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.085	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.8	-173.3	-173.7	0	0	0	0	111.3	L367 H370 Y400 F401	L367-V398 HydrophobicContact CB-CG2 4.22Å; L367-V398 HydrophobicContact CD2-CG2 4.12Å; L367-V398 WeakPolarHBondContact O-CA 3.49Å; H370-V398 HydrophobicContact CB-CB 4.41Å; H370-V398 HydrophobicContact CB-CG1 3.61Å; H370-V398 HydrophobicContact CB-CG2 3.94Å; V398-Y400 WeakPolarHBondContact CG1-O 3.35Å; V398-F401 HydrophobicContact CB-CD2 4.17Å; V398-F401 HydrophobicContact CB-CE1 4.41Å; V398-F401 HydrophobicContact CB-CE2 3.46Å; V398-F401 VanDerWaalsContact CB-CE2 3.46Å; V398-F401 HydrophobicContact CB-CZ 3.58Å; V398-F401 HydrophobicContact CG1-CD2 4.03Å; V398-F401 HydrophobicContact CG1-CE1 4.4Å; V398-F401 HydrophobicContact CG1-CE2 3.81Å; V398-F401 HydrophobicContact CG1-CG 4.44Å; V398-F401 HydrophobicContact CG1-CZ 3.98Å; V398-F401 HydrophobicContact CG2-CE1 4.22Å; V398-F401 HydrophobicContact CG2-CE2 3.99Å; V398-F401 HydrophobicContact CG2-CZ 3.54Å
399	N	97.4	Very high	94	Very high	57 Å²	57	31.3 Å²	31.3	31%	0.305	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-46	176.6	-63.3	-30.5	0	0	0	112.6	N33 N45 L367	N33-N399 PolarHBondContact ND2-O 3.48Å; N45-N399 VanDerWaalsContact CG-ND2 3.34Å; N45-N399 PolarHBondContact ND2-ND2 3.41Å; N45-N399 PolarHBondContact OD1-ND2 2.92Å; L367-N399 PolarHBondContact O-N 3.36Å; L367-N399 VanDerWaalsContact O-N 3.09Å
400	Y	98.4	Very high	92.7	Very high	23 Å²	23	39.3 Å²	39.3	9%	0.09	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.9	-174.5	-53.6	-84.6	0	0	0	112.8	V31 N33 E40 V41 F42 V43 D368 I369 H370 V398	V31-Y400 HydrophobicContact CG2-CD1 3.42Å; V31-Y400 VanDerWaalsContact CG2-CD1 3.42Å; V31-Y400 HydrophobicContact CG2-CE1 3.85Å; V31-Y400 HydrophobicContact CG2-CG 4.05Å; N33-Y400 HydrophobicContact CB-CD1 4.41Å; E40-Y400 HydrophobicContact CB-CE1 3.94Å; V41-Y400 PolarHBondContact O-OH 3.17Å; F42-Y400 AromaticContact CD2-CD2 3.81Å; F42-Y400 HydrophobicContact CD2-CD2 3.81Å; F42-Y400 HydrophobicContact CD2-CE1 4.5Å; F42-Y400 AromaticContact CD2-CE2 3.74Å; F42-Y400 HydrophobicContact CD2-CE2 3.74Å; F42-Y400 HydrophobicContact CD2-CG 4.26Å; F42-Y400 AromaticContact CE2-CD2 3.77Å; F42-Y400 HydrophobicContact CE2-CD2 3.77Å; F42-Y400 AromaticContact CE2-CE2 3.92Å; F42-Y400 HydrophobicContact CE2-CE2 3.92Å; F42-Y400 HydrophobicContact CE2-CG 4.48Å; V43-Y400 PolarHBondContact N-OH 3.32Å; D368-Y400 WeakPolarHBondContact O-CD2 3.3Å; D368-Y400 PolarHBondContact O-N 2.99Å; I369-Y400 WeakPolarHBondContact CA-O 3Å; H370-Y400 PolarHBondContact N-O 2.98Å; V398-Y400 WeakPolarHBondContact CG1-O 3.35Å
401	F	98.4	Very high	91.2	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.2	174.1	-80	-87.5	0	0	0	112.2	N33 S34 L35 L288 H370 H381 I385 V398 H403	N33-F401 PolarHBondContact OD1-N 3.38Å; S34-F401 WeakPolarHBondContact CB-O 3.4Å; S34-F401 PolarHBondContact N-O 2.91Å; S34-F401 PolarHBondContact OG-O 3.16Å; S34-F401 VanDerWaalsContact OG-O 3.06Å; L35-F401 HydrophobicContact CB-CD2 4.17Å; L288-F401 HydrophobicContact CD1-CD1 4Å; L288-F401 HydrophobicContact CD1-CE1 4.02Å; L288-F401 HydrophobicContact CD1-CG 4.35Å; L288-F401 HydrophobicContact CD1-CZ 4.38Å; L288-F401 HydrophobicContact CD2-CB 3.94Å; L288-F401 HydrophobicContact CD2-CD1 4.26Å; L288-F401 HydrophobicContact CD2-CD2 3.85Å; L288-F401 HydrophobicContact CD2-CE2 4.38Å; L288-F401 HydrophobicContact CD2-CG 3.77Å; H370-F401 HydrophobicContact CB-CD1 3.92Å; H370-F401 HydrophobicContact CB-CE1 3.75Å; H370-F401 HydrophobicContact CB-CZ 4.42Å; H370-F401 AromaticContact CD2-CD1 3.85Å; H370-F401 AromaticContact CD2-CE1 3.49Å; H370-F401 VanDerWaalsContact CD2-CE1 3.49Å; H370-F401 WeakPolarHBondContact CD2-CE1 3.4Å; H370-F401 AromaticContact CG-CE1 3.89Å; H370-F401 WeakPolarHBondContact O-CA 3.48Å; H381-F401 HydrophobicContact CB-CE1 4.22Å; I385-F401 HydrophobicContact CD1-CE1 4.22Å; I385-F401 HydrophobicContact CD1-CE2 3.81Å; I385-F401 HydrophobicContact CD1-CZ 3.48Å; I385-F401 VanDerWaalsContact CD1-CZ 3.48Å; I385-F401 HydrophobicContact CG1-CE1 4.38Å; I385-F401 HydrophobicContact CG1-CE2 4.2Å; I385-F401 HydrophobicContact CG1-CZ 3.56Å; V398-F401 HydrophobicContact CB-CD2 4.17Å; V398-F401 HydrophobicContact CB-CE1 4.41Å; V398-F401 HydrophobicContact CB-CE2 3.46Å; V398-F401 VanDerWaalsContact CB-CE2 3.46Å; V398-F401 HydrophobicContact CB-CZ 3.58Å; V398-F401 HydrophobicContact CG1-CD2 4.03Å; V398-F401 HydrophobicContact CG1-CE1 4.4Å; V398-F401 HydrophobicContact CG1-CE2 3.81Å; V398-F401 HydrophobicContact CG1-CG 4.44Å; V398-F401 HydrophobicContact CG1-CZ 3.98Å; V398-F401 HydrophobicContact CG2-CE1 4.22Å; V398-F401 HydrophobicContact CG2-CE2 3.99Å; V398-F401 HydrophobicContact CG2-CZ 3.54Å; F401-H403 AromaticContact CD1-CE1 3.92Å
402	L	98.2	Very high	89.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.1	-177.1	-78.2	58.6	0	0	0	109.7	W52 L77 I369 H370 A371 G372 W445	W52-L402 HydrophobicContact CH2-CD2 3.55Å; W52-L402 HydrophobicContact CZ2-CD2 3.55Å; L77-L402 HydrophobicContact CD1-CD2 4.28Å; I369-L402 HydrophobicContact CG2-CD1 3.91Å; I369-L402 HydrophobicContact CG2-CD2 3.99Å; I369-L402 HydrophobicContact CG2-CG 4.35Å; H370-L402 PolarHBondContact O-N 2.9Å; A371-L402 WeakPolarHBondContact CA-O 3.5Å; A371-L402 HydrophobicContact CB-CB 3.87Å; A371-L402 WeakPolarHBondContact CB-O 3.42Å; G372-L402 PolarHBondContact N-O 3.01Å; G372-L402 VanDerWaalsContact N-O 3.12Å; L402-W445 HydrophobicContact CB-CH2 4.2Å; L402-W445 HydrophobicContact CB-CZ3 4.24Å; L402-W445 HydrophobicContact CG-CH2 4.06Å
403	H	97.4	Very high	88.2	Confident	3 Å²	3	43.4 Å²	43.4	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119	-178.9	-64.9	92.3	0	0	0	111.7	S34 G372 K377 H381 F401 W445	S34-H403 WeakPolarHBondContact CB-ND1 3.38Å; S34-H403 PolarHBondContact OG-ND1 3.18Å; G372-H403 CarbonylContact O-C 3.57Å; G372-H403 WeakPolarHBondContact O-CA 3.49Å; K377-H403 HydrophobicContact CD-CB 4.45Å; K377-H403 VanDerWaalsContact CE-CB 3.44Å; K377-H403 VanDerWaalsContact CE-CG 3.41Å; K377-H403 WeakPolarHBondContact CE-ND1 3.45Å; K377-H403 HydrophobicContact CG-CB 4.21Å; K377-H403 WeakPolarHBondContact CG-CD2 3.41Å; K377-H403 VanDerWaalsContact CG-NE2 3.33Å; K377-H403 WeakPolarHBondContact CG-NE2 3.42Å; H381-H403 AromaticContact CE1-CD2 3.78Å; H381-H403 AromaticContact CE1-NE2 3.39Å; H381-H403 PolarHBondContact CE1-NE2 3.47Å; H381-H403 AromaticContact CG-NE2 3.85Å; H381-H403 AromaticContact ND1-CD2 3.59Å; H381-H403 AromaticContact ND1-CE1 3.66Å; H381-H403 AromaticContact ND1-NE2 2.75Å; H381-H403 PolarHBondContact ND1-NE2 3.23Å; F401-H403 AromaticContact CD1-CE1 3.92Å; H403-W445 WeakPolarHBondContact O-CZ3 3.47Å
404	C	95.4	Very high	87.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.3	179.4	-62.1	0	0	0	0	111.6	G372 F374 W445	G372-C404 PolarHBondContact O-N 3.11Å; F374-C404 WeakPolarHBondContact CB-O 3.33Å; F374-C404 PolarHBondContact N-O 3.34Å; C404-W445 WeakPolarHBondContact CA-O 3.42Å
405	G	91.6	Very high	86	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.01	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-68	147.2	-179.7	0	0	0	0	0	113.4	W445 A446 D447	G405-W445 PolarHBondContact N-O 2.89Å; G405-A446 VanDerWaalsContact CA-O 3.28Å; G405-A446 WeakPolarHBondContact CA-O 3.48Å; G405-A446 PolarHBondContact N-O 2.96Å; G405-D447 WeakPolarHBondContact CA-O 3.39Å
406	T	88.5	Confident	85.1	Confident	27 Å²	27	39.4 Å²	39.4	17%	0.166	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-69.4	145.5	-174.7	-53.2	0	0	0	0	112.8	K413 V448 L449	T406-K413 HydrophobicContact CG2-CD 4.28Å; T406-K413 HydrophobicContact CG2-CG 3.94Å; T406-V448 WeakPolarHBondContact O-CA 3.41Å; T406-L449 PolarHBondContact O-N 3.25Å
407	L	87.5	Confident	84	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.9	169.7	-160.9	76.4	0	0	0	111.3	M65 R69 M414 F440 L449	M65-L407 HydrophobicContact CB-CD2 3.57Å; R69-L407 HydrophobicContact CB-CB 4.34Å; R69-L407 HydrophobicContact CB-CD1 4.47Å; L407-M414 HydrophobicContact CD2-CE 4.16Å; L407-M414 HydrophobicContact CD2-SD 4.43Å; L407-M414 PolarHBondContact O-N 2.95Å; L407-F440 HydrophobicContact CD1-CE1 4.27Å; L407-L449 CarbonylContact C-O 3.37Å; L407-L449 WeakPolarHBondContact CA-O 3.29Å; L407-L449 HydrophobicContact CD1-CB 3.91Å; L407-L449 HydrophobicContact CD1-CD2 3.66Å; L407-L449 HydrophobicContact CD1-CG 3.68Å
408	R	85.7	Confident	82.6	Confident	104 Å²	104	38.1 Å²	38.1	39%	0.392	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.6	175.7	-70	-178.1	-177.1	-127.4	5.3	111.2	G411 M412 V448 L449 D450 Y451	R408-G411 PolarHBondContact NH1-O 3.34Å; R408-G411 VanDerWaalsContact NH1-O 3.09Å; R408-M412 CarbonylContact C-O 3.58Å; R408-M412 WeakPolarHBondContact CA-O 3.47Å; R408-M412 WeakPolarHBondContact CB-O 3.43Å; R408-V448 HydrophobicContact CG-CG1 4.03Å; R408-L449 PolarHBondContact N-O 2.9Å; R408-D450 WeakPolarHBondContact CB-OD1 3.41Å; R408-Y451 WeakPolarHBondContact O-CB 3.37Å; R408-Y451 PolarHBondContact O-N 2.82Å
409	I	77.9	Confident	81.4	Confident	27 Å²	27	42.3 Å²	42.3	14%	0.138	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.1	168.7	-70.7	-168.3	0	0	0	108.1	G411 M412 M414 I422 Y451	I409-G411 PolarHBondContact O-N 2.84Å; I409-G411 VanDerWaalsContact O-N 3.16Å; I409-M412 PolarHBondContact N-O 2.79Å; I409-M412 PolarHBondContact O-N 3.26Å; I409-M414 HydrophobicContact CD1-CE 3.06Å; I409-M414 HydrophobicContact CG1-CE 3.58Å; I409-I422 HydrophobicContact CD1-CD1 3.59Å; I409-I422 HydrophobicContact CD1-CG1 3.99Å; I409-Y451 HydrophobicContact CD1-CD1 3.87Å; I409-Y451 HydrophobicContact CD1-CE1 4.49Å; I409-Y451 HydrophobicContact CG1-CD1 3.97Å
410	Q	68.4	Low	80.2	Confident	174 Å²	174	41.4 Å²	41.4	81%	0.813	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.3	-179.9	-61.8	176.9	-15.8	0	0	112.6	M412	Q410-M412 VanDerWaalsContact C-N 3.26Å; Q410-M412 PolarHBondContact O-N 3.01Å
411	G	66.6	Low	79.4	Confident	41 Å²	41	42.7 Å²	42.7	42%	0.423	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-13.3	-178.7	0	0	0	0	0	115.7	R408 I409	R408-G411 PolarHBondContact NH1-O 3.34Å; R408-G411 VanDerWaalsContact NH1-O 3.09Å; I409-G411 PolarHBondContact O-N 2.84Å; I409-G411 VanDerWaalsContact O-N 3.16Å
412	M	65.3	Low	78.8	Confident	82 Å²	82	45 Å²	45	40%	0.404	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	145.2	177.3	-64.9	-175.5	-71.2	0	0	111.7	R408 I409 Q410 M414	R408-M412 CarbonylContact C-O 3.58Å; R408-M412 WeakPolarHBondContact CA-O 3.47Å; R408-M412 WeakPolarHBondContact CB-O 3.43Å; I409-M412 PolarHBondContact N-O 2.79Å; I409-M412 PolarHBondContact O-N 3.26Å; Q410-M412 VanDerWaalsContact C-N 3.26Å; Q410-M412 PolarHBondContact O-N 3.01Å; M412-M414 PolarHBondContact O-N 3.22Å
413	K	67.1	Low	78.6	Confident	87 Å²	87	46.7 Å²	46.7	38%	0.378	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	131.2	170.7	-178.2	177.2	179.6	-176.5	0	108.7	D375 T406 S415 N420	D375-K413 IonicContact OD2-NZ 3.79Å; D375-K413 PolarHBondContact OD2-NZ 3.25Å; T406-K413 HydrophobicContact CG2-CD 4.28Å; T406-K413 HydrophobicContact CG2-CG 3.94Å; K413-S415 PolarHBondContact O-N 2.9Å; K413-N420 PolarHBondContact O-ND2 3.46Å
414	M	72.4	Confident	78.4	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.034	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-73.4	122	169.2	-178	-176.7	-72.1	0	0	109	H64 M65 L407 I409 M412 F421 I422	H64-M414 HydrophobicContact CB-SD 4.31Å; M65-M414 HydrophobicContact CB-CE 3.87Å; M65-M414 HydrophobicContact CB-SD 3.81Å; L407-M414 HydrophobicContact CD2-CE 4.16Å; L407-M414 HydrophobicContact CD2-SD 4.43Å; L407-M414 PolarHBondContact O-N 2.95Å; I409-M414 HydrophobicContact CD1-CE 3.06Å; I409-M414 HydrophobicContact CG1-CE 3.58Å; M412-M414 PolarHBondContact O-N 3.22Å; M414-F421 HydrophobicContact CG-CB 3.62Å; M414-F421 HydrophobicContact SD-CB 4.01Å; M414-I422 HydrophobicContact CE-CB 4.38Å; M414-I422 HydrophobicContact CE-CG1 4.45Å
415	S	71.6	Confident	78.3	Confident	17 Å²	17	51 Å²	51	12%	0.119	26%	0.256	C	S	.	.			trans	-150.8	152.5	176.3	66.6	0	0	0	0	112.8	K413 S417 L418 K419 N420	K413-S415 PolarHBondContact O-N 2.9Å; S415-S417 VanDerWaalsContact C-N 3.28Å; S415-S417 PolarHBondContact O-N 3.42Å; S415-S417 PolarHBondContact OG-OG 3.26Å; S415-S417 VanDerWaalsContact OG-OG 3.09Å; S415-L418 PolarHBondContact O-N 3.41Å; S415-L418 WeakPolarHBondContact OG-CB 3.27Å; S415-L418 VanDerWaalsContact OG-CG 3.31Å; S415-L418 WeakPolarHBondContact OG-CG 3.31Å; S415-L418 PolarHBondContact OG-N 3.31Å; S415-K419 PolarHBondContact O-N 2.98Å; S415-N420 PolarHBondContact N-OD1 3.24Å; S415-N420 PolarHBondContact O-OD1 3.5Å
416	K	74.7	Confident	78.3	Confident	23 Å²	23	55.5 Å²	55.5	10%	0.1	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-38.6	172.9	-69.7	178.8	171.5	176.8	0	111.9	Y60 D61 S62 L418 K419 F421	Y60-K416 HydrophobicContact CE1-CD 3.95Å; Y60-K416 HydrophobicContact CE2-CD 4.07Å; Y60-K416 VanDerWaalsContact CZ-CD 3.45Å; Y60-K416 WeakPolarHBondContact OH-CB 3.32Å; Y60-K416 WeakPolarHBondContact OH-CD 3.08Å; D61-K416 VanDerWaalsContact C-NZ 3.33Å; D61-K416 HydrophobicContact CB-CD 4.15Å; D61-K416 PolarHBondContact O-NZ 2.93Å; S62-K416 WeakPolarHBondContact O-CE 3.44Å; S62-K416 PolarHBondContact O-NZ 3.04Å; K416-L418 VanDerWaalsContact C-N 3.31Å; K416-L418 PolarHBondContact O-N 3.32Å; K416-K419 PolarHBondContact O-N 3.41Å; K416-K419 VanDerWaalsContact O-N 3.11Å; K416-F421 HydrophobicContact CB-CD1 4.43Å; K416-F421 HydrophobicContact CB-CE1 4.26Å; K416-F421 HydrophobicContact CG-CD1 4.25Å; K416-F421 HydrophobicContact CG-CE1 4.1Å; K416-F421 HydrophobicContact CG-CZ 4.34Å
417	S	68.6	Low	78.5	Confident	68 Å²	68	54.3 Å²	54.3	48%	0.476	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.6	179.9	48.9	0	0	0	0	113.9	S415	S415-S417 VanDerWaalsContact C-N 3.28Å; S415-S417 PolarHBondContact O-N 3.42Å; S415-S417 PolarHBondContact OG-OG 3.26Å; S415-S417 VanDerWaalsContact OG-OG 3.09Å
418	L	65.3	Low	78.7	Confident	36 Å²	36	56 Å²	56	19%	0.188	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.3	177.3	-66.4	178.6	0	0	0	113.3	D149 K150 S415 K416 N420	D149-L418 HydrophobicContact CB-CD2 3.63Å; K150-L418 HydrophobicContact CG-CD2 4.37Å; S415-L418 PolarHBondContact O-N 3.41Å; S415-L418 WeakPolarHBondContact OG-CB 3.27Å; S415-L418 VanDerWaalsContact OG-CG 3.31Å; S415-L418 WeakPolarHBondContact OG-CG 3.31Å; S415-L418 PolarHBondContact OG-N 3.31Å; K416-L418 VanDerWaalsContact C-N 3.31Å; K416-L418 PolarHBondContact O-N 3.32Å; L418-N420 HydrophobicContact CB-CB 4.37Å; L418-N420 PolarHBondContact O-N 3.35Å
419	K	72.9	Confident	78.8	Confident	101 Å²	101	57.2 Å²	57.2	44%	0.439	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	24.8	-175.2	-63.7	-174.4	178	176.9	0	114.1	M153 M157 D193 S415 K416	M153-K419 HydrophobicContact SD-CB 4.06Å; M153-K419 HydrophobicContact SD-CD 3.87Å; M153-K419 HydrophobicContact SD-CG 3.8Å; M157-K419 PolarHBondContact SD-NZ 3.22Å; D193-K419 IonicContact OD2-NZ 3.45Å; D193-K419 PolarHBondContact OD2-NZ 3Å; S415-K419 PolarHBondContact O-N 2.98Å; K416-K419 PolarHBondContact O-N 3.41Å; K416-K419 VanDerWaalsContact O-N 3.11Å
420	N	72.4	Confident	79.2	Confident	38 Å²	38	60.7 Å²	60.7	20%	0.203	31%	0.306	C	S	.	.			trans	-104.2	22.3	-177.5	71.4	-16.6	0	0	0	112.1	K413 S415 L418	K413-N420 PolarHBondContact O-ND2 3.46Å; S415-N420 PolarHBondContact N-OD1 3.24Å; S415-N420 PolarHBondContact O-OD1 3.5Å; L418-N420 HydrophobicContact CB-CB 4.37Å; L418-N420 PolarHBondContact O-N 3.35Å
421	F	80.9	Confident	80.3	Confident	50 Å²	50	54.1 Å²	54.1	22%	0.219	27%	0.274	C	S	.	.			trans	-97	148.4	-174.9	69	-87.2	0	0	0	112.7	H64 M414 K416 T423	H64-F421 HydrophobicContact CB-CB 4Å; H64-F421 HydrophobicContact CB-CD2 3.66Å; H64-F421 HydrophobicContact CB-CG 4.2Å; M414-F421 HydrophobicContact CG-CB 3.62Å; M414-F421 HydrophobicContact SD-CB 4.01Å; K416-F421 HydrophobicContact CB-CD1 4.43Å; K416-F421 HydrophobicContact CB-CE1 4.26Å; K416-F421 HydrophobicContact CG-CD1 4.25Å; K416-F421 HydrophobicContact CG-CE1 4.1Å; K416-F421 HydrophobicContact CG-CZ 4.34Å; F421-T423 HydrophobicContact CD2-CG2 4.16Å; F421-T423 HydrophobicContact CE2-CG2 3.76Å
422	I	87.1	Confident	81.5	Confident	51 Å²	51	52.6 Å²	52.6	26%	0.262	26%	0.256	S	S	.	.			trans	-104.5	120.8	171.5	-56.6	175.4	0	0	0	106.2	H64 M65 I409 M414 K426 A427 Y451	H64-I422 CarbonylContact C-O 3.59Å; H64-I422 VanDerWaalsContact CA-O 3.32Å; H64-I422 WeakPolarHBondContact CA-O 3.4Å; H64-I422 VanDerWaalsContact CB-O 3.31Å; H64-I422 WeakPolarHBondContact CB-O 3.34Å; M65-I422 HydrophobicContact CG-CB 4.32Å; M65-I422 HydrophobicContact CG-CG2 4.48Å; M65-I422 PolarHBondContact N-O 3.07Å; I409-I422 HydrophobicContact CD1-CD1 3.59Å; I409-I422 HydrophobicContact CD1-CG1 3.99Å; M414-I422 HydrophobicContact CE-CB 4.38Å; M414-I422 HydrophobicContact CE-CG1 4.45Å; I422-K426 HydrophobicContact CG2-CB 4.03Å; I422-K426 HydrophobicContact CG2-CG 4.04Å; I422-A427 HydrophobicContact CG2-CB 4.06Å; I422-Y451 HydrophobicContact CD1-CE1 4.02Å
423	T	92.4	Very high	82.8	Confident	38 Å²	38	50.7 Å²	50.7	23%	0.233	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-63.4	154.7	175.2	61.4	0	0	0	0	110	S63 F421 R425 K426 A427	S63-T423 VanDerWaalsContact O-CA 3.29Å; S63-T423 WeakPolarHBondContact O-CA 3.48Å; S63-T423 WeakPolarHBondContact O-CB 3.25Å; F421-T423 HydrophobicContact CD2-CG2 4.16Å; F421-T423 HydrophobicContact CE2-CG2 3.76Å; T423-R425 VanDerWaalsContact C-N 3.26Å; T423-R425 PolarHBondContact O-N 3.08Å; T423-K426 PolarHBondContact O-N 2.87Å; T423-K426 VanDerWaalsContact OG1-CB 3.22Å; T423-K426 WeakPolarHBondContact OG1-CB 3.48Å; T423-K426 PolarHBondContact OG1-N 3.43Å; T423-K426 VanDerWaalsContact OG1-N 3.14Å; T423-A427 PolarHBondContact O-N 3.3Å
424	I	94.4	Very high	84.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-46.4	177	-65.7	174	0	0	0	109.8	S63 A68 D227 M228 L231 K426 A427 L428	S63-I424 PolarHBondContact O-N 3.25Å; S63-I424 VanDerWaalsContact O-N 3.09Å; A68-I424 HydrophobicContact CB-CD1 4.04Å; A68-I424 HydrophobicContact CB-CG1 4.06Å; D227-I424 HydrophobicContact CB-CB 4.43Å; D227-I424 HydrophobicContact CB-CD1 4.15Å; D227-I424 HydrophobicContact CB-CG2 4.28Å; M228-I424 HydrophobicContact CE-CD1 3.57Å; L231-I424 HydrophobicContact CD1-CD1 3.9Å; L231-I424 HydrophobicContact CD1-CG1 4.41Å; L231-I424 HydrophobicContact CD1-CG2 3.74Å; L231-I424 HydrophobicContact CD2-CG2 4.08Å; L231-I424 HydrophobicContact CG-CG2 3.91Å; I424-K426 VanDerWaalsContact C-N 3.33Å; I424-K426 PolarHBondContact O-N 2.91Å; I424-A427 PolarHBondContact O-N 2.83Å; I424-A427 VanDerWaalsContact O-N 3.17Å; I424-L428 HydrophobicContact CG2-CD1 3.9Å; I424-L428 HydrophobicContact CG2-CG 4.29Å; I424-L428 VanDerWaalsContact O-CG 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.42Å; I424-L428 PolarHBondContact O-N 3.4Å
425	R	93.8	Very high	85.2	Confident	95 Å²	95	48.5 Å²	48.5	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-57.9	-43.2	177.8	-63	-177	-177.6	-170.5	5.6	112.7	E223 D227 T423 L428 E429	E223-R425 IonicContact OE2-CZ 3.82Å; E223-R425 IonicContact OE2-NH1 3.66Å; E223-R425 IonicContact OE2-NH2 2.6Å; D227-R425 WeakPolarHBondContact OD1-CG 3.38Å; D227-R425 IonicContact OD1-CZ 2.64Å; D227-R425 IonicContact OD1-NE 3.55Å; D227-R425 PolarHBondContact OD1-NE 3.15Å; D227-R425 IonicContact OD1-NH2 2.65Å; D227-R425 IonicContact OD2-NE 2.72Å; T423-R425 VanDerWaalsContact C-N 3.26Å; T423-R425 PolarHBondContact O-N 3.08Å; R425-L428 PolarHBondContact O-N 3.2Å; R425-E429 PolarHBondContact O-N 2.96Å
426	K	91.6	Very high	86.3	Confident	95 Å²	95	47.7 Å²	47.7	41%	0.413	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-41.9	177.2	-177.5	57.6	-178.6	173.1	0	111.7	I422 T423 I424 L428 E429	I422-K426 HydrophobicContact CG2-CB 4.03Å; I422-K426 HydrophobicContact CG2-CG 4.04Å; T423-K426 PolarHBondContact O-N 2.87Å; T423-K426 VanDerWaalsContact OG1-CB 3.22Å; T423-K426 WeakPolarHBondContact OG1-CB 3.48Å; T423-K426 PolarHBondContact OG1-N 3.43Å; T423-K426 VanDerWaalsContact OG1-N 3.14Å; I424-K426 VanDerWaalsContact C-N 3.33Å; I424-K426 PolarHBondContact O-N 2.91Å; K426-L428 PolarHBondContact O-N 3.19Å; K426-E429 WeakPolarHBondContact CD-OE2 3.46Å; K426-E429 IonicContact NZ-OE2 2.69Å; K426-E429 PolarHBondContact NZ-OE2 2.96Å; K426-E429 WeakPolarHBondContact O-CB 3.46Å; K426-E429 PolarHBondContact O-N 3.19Å
427	A	91.5	Very high	87.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-32.1	175.2	0	0	0	0	0	112.4	M65 I422 T423 I424 E429 D430 Y431 L436	M65-A427 HydrophobicContact CG-CB 3.85Å; M65-A427 HydrophobicContact SD-CB 3.48Å; M65-A427 WeakPolarHBondContact SD-CB 3.49Å; I422-A427 HydrophobicContact CG2-CB 4.06Å; T423-A427 PolarHBondContact O-N 3.3Å; I424-A427 PolarHBondContact O-N 2.83Å; I424-A427 VanDerWaalsContact O-N 3.17Å; A427-E429 VanDerWaalsContact C-N 3.26Å; A427-E429 PolarHBondContact O-N 3.07Å; A427-D430 PolarHBondContact O-N 3.2Å; A427-Y431 PolarHBondContact O-N 3.44Å; A427-L436 HydrophobicContact CB-CD1 4.33Å
428	L	91.4	Very high	88.7	Confident	41 Å²	41	43.4 Å²	43.4	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-74.1	-11.1	177.5	-69.9	177.3	0	0	0	114.3	R230 L231 I424 R425 K426 D430 Y431 P433 L436	R230-L428 HydrophobicContact CB-CD1 4.14Å; L231-L428 HydrophobicContact CD2-CD1 4.45Å; L231-L428 HydrophobicContact CD2-CD2 4.15Å; I424-L428 HydrophobicContact CG2-CD1 3.9Å; I424-L428 HydrophobicContact CG2-CG 4.29Å; I424-L428 VanDerWaalsContact O-CG 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.42Å; I424-L428 PolarHBondContact O-N 3.4Å; R425-L428 PolarHBondContact O-N 3.2Å; K426-L428 PolarHBondContact O-N 3.19Å; L428-D430 VanDerWaalsContact C-N 3.35Å; L428-Y431 CarbonylContact C-O 3.32Å; L428-Y431 VanDerWaalsContact CA-O 3.27Å; L428-Y431 WeakPolarHBondContact CA-O 3.41Å; L428-Y431 WeakPolarHBondContact CD2-O 3.17Å; L428-P433 HydrophobicContact CD2-CB 4.32Å; L428-P433 HydrophobicContact CD2-CG 3.71Å; L428-L436 HydrophobicContact CD2-CD1 3.87Å
429	E	89.3	Confident	90.2	Very high	129 Å²	129	41.7 Å²	41.7	60%	0.603	20%	0.198	S	C	*	.	H	α-helix	trans	-71.1	-34.9	168.5	-65.4	171.2	-157.4	0	0	111.2	R425 K426 A427	R425-E429 PolarHBondContact O-N 2.96Å; K426-E429 WeakPolarHBondContact CD-OE2 3.46Å; K426-E429 IonicContact NZ-OE2 2.69Å; K426-E429 PolarHBondContact NZ-OE2 2.96Å; K426-E429 WeakPolarHBondContact O-CB 3.46Å; K426-E429 PolarHBondContact O-N 3.19Å; A427-E429 VanDerWaalsContact C-N 3.26Å; A427-E429 PolarHBondContact O-N 3.07Å
430	D	86	Confident	91.3	Very high	101 Å²	101	37 Å²	37	54%	0.54	18%	0.178	S	C	.	.	H	α-helix	trans	-94.5	-31.9	-176.4	-63.1	-35.3	0	0	0	112.6	A427 L428	A427-D430 PolarHBondContact O-N 3.2Å; L428-D430 VanDerWaalsContact C-N 3.35Å
431	Y	90.8	Very high	92.5	Very high	36 Å²	36	35.2 Å²	35.2	14%	0.141	17%	0.168	C	C	.	.	S	Bend	trans	-134.7	149.2	-171.1	-55	-69	0	0	0	112.7	A427 L428 L436 Y451 M456 L460	A427-Y431 PolarHBondContact O-N 3.44Å; L428-Y431 CarbonylContact C-O 3.32Å; L428-Y431 VanDerWaalsContact CA-O 3.27Å; L428-Y431 WeakPolarHBondContact CA-O 3.41Å; L428-Y431 WeakPolarHBondContact CD2-O 3.17Å; Y431-L436 HydrophobicContact CD2-CD2 4.29Å; Y431-L436 HydrophobicContact CG-CD2 4.36Å; Y431-Y451 WeakPolarHBondContact CE2-OH 3.3Å; Y431-M456 HydrophobicContact CD1-CE 3.57Å; Y431-M456 HydrophobicContact CD2-CE 4.19Å; Y431-M456 HydrophobicContact CE1-CB 3.98Å; Y431-M456 HydrophobicContact CE1-CE 3.98Å; Y431-M456 HydrophobicContact CE1-CG 4.2Å; Y431-M456 HydrophobicContact CE2-CG 4.1Å; Y431-M456 HydrophobicContact CG-CE 3.68Å; Y431-L460 HydrophobicContact CD1-CD2 4.43Å; Y431-L460 HydrophobicContact CE1-CD1 4.26Å
432	T	91.8	Very high	93.2	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.049	16%	0.163	C	C	.	.			trans	-77.6	155.6	176.4	75.5	0	0	0	0	111	R434 Q435 L436 E582	T432-R434 PolarHBondContact O-N 2.77Å; T432-Q435 WeakPolarHBondContact O-CB 3.45Å; T432-Q435 PolarHBondContact O-N 2.86Å; T432-Q435 VanDerWaalsContact OG1-CG 3.22Å; T432-Q435 WeakPolarHBondContact OG1-CG 3.26Å; T432-Q435 PolarHBondContact OG1-N 3.48Å; T432-L436 PolarHBondContact O-N 3.38Å; T432-L436 VanDerWaalsContact O-N 3.16Å; T432-E582 WeakPolarHBondContact CG2-OE1 3.49Å
433	P	93.3	Very high	93.6	Very high	43 Å²	43	33.5 Å²	33.5	28%	0.279	16%	0.16	S	C	.	.	H	α-helix	trans	-52.6	-39.8	173.5	-28.9	36.3	0	0	0	113.2	R230 L231 L428 L436 R437	R230-P433 VanDerWaalsContact O-CB 3.24Å; R230-P433 WeakPolarHBondContact O-CB 3.41Å; R230-P433 WeakPolarHBondContact O-CG 3.44Å; L231-P433 HydrophobicContact CD2-CB 4.4Å; L428-P433 HydrophobicContact CD2-CB 4.32Å; L428-P433 HydrophobicContact CD2-CG 3.71Å; P433-L436 PolarHBondContact O-N 3.38Å; P433-R437 WeakPolarHBondContact O-CB 3.45Å; P433-R437 PolarHBondContact O-N 2.87Å
434	R	94.1	Very high	93.7	Very high	30 Å²	30	33.6 Å²	33.6	11%	0.113	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-41.4	177.1	178.7	171.7	62.3	-124.2	-1.3	111.8	T432 R437 L438 E463 A569 F579	T432-R434 PolarHBondContact O-N 2.77Å; R434-R437 PolarHBondContact O-N 3.2Å; R434-L438 HydrophobicContact CG-CD1 4.18Å; R434-L438 HydrophobicContact CG-CG 4.4Å; R434-L438 WeakPolarHBondContact O-CB 3.47Å; R434-L438 VanDerWaalsContact O-CG 3.29Å; R434-L438 WeakPolarHBondContact O-CG 3.38Å; R434-L438 PolarHBondContact O-N 3.36Å; R434-E463 IonicContact CZ-OE1 2.91Å; R434-E463 IonicContact NE-OE1 2.74Å; R434-E463 PolarHBondContact NE-OE1 3.31Å; R434-E463 IonicContact NH2-OE1 3.89Å; R434-E463 PolarHBondContact NH2-OE1 3.49Å; R434-A569 WeakPolarHBondContact CD-O 3.31Å; R434-A569 VanDerWaalsContact CG-O 3.31Å; R434-A569 WeakPolarHBondContact CG-O 3.33Å; R434-F579 VanDerWaalsContact CD-CD1 3.44Å
435	Q	94.8	Very high	93.8	Very high	17 Å²	17	34.1 Å²	34.1	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-43.5	178.4	-73.2	164.3	-5.6	0	0	112.3	T432 R437 L438 L439 M456 L460 E463	T432-Q435 WeakPolarHBondContact O-CB 3.45Å; T432-Q435 PolarHBondContact O-N 2.86Å; T432-Q435 VanDerWaalsContact OG1-CG 3.22Å; T432-Q435 WeakPolarHBondContact OG1-CG 3.26Å; T432-Q435 PolarHBondContact OG1-N 3.48Å; Q435-R437 VanDerWaalsContact C-N 3.31Å; Q435-R437 PolarHBondContact O-N 2.88Å; Q435-L438 PolarHBondContact O-N 3.49Å; Q435-L439 PolarHBondContact O-N 2.86Å; Q435-M456 HydrophobicContact CB-CE 4.1Å; Q435-L460 HydrophobicContact CB-CD2 4.36Å; Q435-L460 HydrophobicContact CG-CD2 3.73Å; Q435-E463 WeakPolarHBondContact CG-OE2 3.4Å; Q435-E463 PolarHBondContact NE2-OE2 3.23Å
436	L	95.4	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-39.7	175.1	-61.8	-177.6	0	0	0	111.5	M65 L231 A427 L428 Y431 T432 P433 L439 F440 M456	M65-L436 HydrophobicContact CE-CD1 4.14Å; M65-L436 HydrophobicContact CE-CD2 3.79Å; M65-L436 HydrophobicContact CE-CG 4.45Å; M65-L436 HydrophobicContact SD-CD1 3.98Å; L231-L436 HydrophobicContact CD2-CD1 4.12Å; A427-L436 HydrophobicContact CB-CD1 4.33Å; L428-L436 HydrophobicContact CD2-CD1 3.87Å; Y431-L436 HydrophobicContact CD2-CD2 4.29Å; Y431-L436 HydrophobicContact CG-CD2 4.36Å; T432-L436 PolarHBondContact O-N 3.38Å; T432-L436 VanDerWaalsContact O-N 3.16Å; P433-L436 PolarHBondContact O-N 3.38Å; L436-L439 WeakPolarHBondContact O-CB 3.3Å; L436-L439 PolarHBondContact O-N 3.46Å; L436-F440 PolarHBondContact O-N 2.97Å; L436-M456 HydrophobicContact CD2-CE 3.9Å; L436-M456 HydrophobicContact CD2-SD 4.03Å
437	R	96.6	Very high	93.9	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-43.3	175.5	-174.9	168.6	-76.7	-154.9	-23.3	112.4	L72 D75 I76 L231 N232 P433 R434 Q435 L439 F440 L441 F567 G568	L72-R437 HydrophobicContact CD2-CG 4.48Å; L72-R437 VanDerWaalsContact CD2-NE 3.28Å; D75-R437 IonicContact OD2-CZ 3.81Å; D75-R437 IonicContact OD2-NH1 2.87Å; D75-R437 IonicContact OD2-NH2 3.33Å; D75-R437 PolarHBondContact OD2-NH2 3.41Å; I76-R437 HydrophobicContact CD1-CG 4.4Å; L231-R437 PolarHBondContact O-NE 3.16Å; L231-R437 PolarHBondContact O-NH2 3.31Å; N232-R437 PolarHBondContact ND2-NH1 2.77Å; N232-R437 VanDerWaalsContact ND2-NH1 3.18Å; N232-R437 VanDerWaalsContact O-CZ 3.3Å; N232-R437 PolarHBondContact O-NH1 3.25Å; N232-R437 PolarHBondContact O-NH2 2.89Å; P433-R437 WeakPolarHBondContact O-CB 3.45Å; P433-R437 PolarHBondContact O-N 2.87Å; R434-R437 PolarHBondContact O-N 3.2Å; Q435-R437 VanDerWaalsContact C-N 3.31Å; Q435-R437 PolarHBondContact O-N 2.88Å; R437-L439 VanDerWaalsContact C-N 3.32Å; R437-L439 PolarHBondContact O-N 3.14Å; R437-F440 PolarHBondContact O-N 3.3Å; R437-F440 VanDerWaalsContact O-N 3.15Å; R437-L441 HydrophobicContact CG-CD1 4.44Å; R437-L441 WeakPolarHBondContact O-CG 3.49Å; R437-L441 PolarHBondContact O-N 2.98Å; R437-F567 WeakPolarHBondContact CD-O 3.39Å; R437-G568 VanDerWaalsContact CD-O 3.29Å; R437-G568 WeakPolarHBondContact CD-O 3.4Å; R437-G568 PolarHBondContact NH1-O 3.09Å
438	L	97.2	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-38.6	174.3	-73	176.2	0	0	0	111.9	R434 Q435 F440 L441 M442 A459 F462 E463 L564 A569	R434-L438 HydrophobicContact CG-CD1 4.18Å; R434-L438 HydrophobicContact CG-CG 4.4Å; R434-L438 WeakPolarHBondContact O-CB 3.47Å; R434-L438 VanDerWaalsContact O-CG 3.29Å; R434-L438 WeakPolarHBondContact O-CG 3.38Å; R434-L438 PolarHBondContact O-N 3.36Å; Q435-L438 PolarHBondContact O-N 3.49Å; L438-F440 VanDerWaalsContact C-N 3.33Å; L438-F440 PolarHBondContact O-N 3.21Å; L438-L441 HydrophobicContact CD2-CD1 4.14Å; L438-L441 PolarHBondContact O-N 3.49Å; L438-M442 VanDerWaalsContact O-CG 3.24Å; L438-M442 WeakPolarHBondContact O-CG 3.49Å; L438-M442 PolarHBondContact O-N 3.33Å; L438-A459 HydrophobicContact CB-CB 4.31Å; L438-F462 HydrophobicContact CD1-CD1 4.32Å; L438-F462 HydrophobicContact CD2-CD1 3.97Å; L438-F462 HydrophobicContact CD2-CE1 3.86Å; L438-E463 HydrophobicContact CD1-CB 3.68Å; L438-E463 HydrophobicContact CD1-CG 4.07Å; L438-L564 HydrophobicContact CD2-CD2 4.12Å; L438-A569 HydrophobicContact CD2-CB 4.08Å
439	L	96.4	Very high	93.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-53.8	-52.8	170.7	169.4	70.3	0	0	0	109.6	Q435 L436 R437 L441 M442 H443 L449 Y451 M456 A459	Q435-L439 PolarHBondContact O-N 2.86Å; L436-L439 WeakPolarHBondContact O-CB 3.3Å; L436-L439 PolarHBondContact O-N 3.46Å; R437-L439 VanDerWaalsContact C-N 3.32Å; R437-L439 PolarHBondContact O-N 3.14Å; L439-L441 VanDerWaalsContact C-N 3.34Å; L439-L441 PolarHBondContact O-N 2.83Å; L439-M442 WeakPolarHBondContact O-CB 3.47Å; L439-M442 PolarHBondContact O-N 3.38Å; L439-M442 VanDerWaalsContact O-N 3.14Å; L439-H443 PolarHBondContact O-CD2 2.65Å; L439-H443 VanDerWaalsContact O-CD2 3.28Å; L439-L449 HydrophobicContact CD2-CD2 4.27Å; L439-L449 HydrophobicContact CG-CD2 4.33Å; L439-Y451 HydrophobicContact CD2-CD2 3.93Å; L439-Y451 HydrophobicContact CD2-CE2 4.2Å; L439-M456 HydrophobicContact CB-SD 3.88Å; L439-M456 HydrophobicContact CD1-SD 4.33Å; L439-M456 HydrophobicContact CD2-SD 3.43Å; L439-M456 WeakPolarHBondContact CD2-SD 3.4Å; L439-M456 HydrophobicContact CG-SD 4.05Å; L439-A459 HydrophobicContact CB-CB 4.02Å
440	F	96.1	Very high	93.9	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-68.3	-31.3	-176.4	-59.8	-27	0	0	0	113.8	M65 A68 R69 L72 L407 L436 R437 L438 M442 H443 L449	M65-F440 HydrophobicContact CE-CZ 3.99Å; A68-F440 HydrophobicContact CB-CE2 4.38Å; R69-F440 HydrophobicContact CB-CE1 4.25Å; R69-F440 HydrophobicContact CB-CE2 4.24Å; R69-F440 HydrophobicContact CB-CZ 3.9Å; L72-F440 HydrophobicContact CB-CD2 3.77Å; L72-F440 HydrophobicContact CB-CE2 4.23Å; L72-F440 HydrophobicContact CD1-CD2 3.66Å; L72-F440 HydrophobicContact CD1-CE2 3.54Å; L72-F440 HydrophobicContact CG-CD2 4.33Å; L72-F440 HydrophobicContact CG-CE2 4.47Å; L407-F440 HydrophobicContact CD1-CE1 4.27Å; L436-F440 PolarHBondContact O-N 2.97Å; R437-F440 PolarHBondContact O-N 3.3Å; R437-F440 VanDerWaalsContact O-N 3.15Å; L438-F440 VanDerWaalsContact C-N 3.33Å; L438-F440 PolarHBondContact O-N 3.21Å; F440-M442 PolarHBondContact O-N 2.84Å; F440-H443 PolarHBondContact O-N 3.28Å; F440-L449 HydrophobicContact CD1-CD2 3.57Å; F440-L449 HydrophobicContact CE1-CD2 3.65Å
441	L	97.4	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-28.7	173.1	-72.5	166.8	0	0	0	113.1	I76 R437 L438 L439 H443 T520 R521 I524 F567 A569	I76-L441 HydrophobicContact CD1-CD2 3.7Å; I76-L441 HydrophobicContact CD1-CG 3.95Å; I76-L441 HydrophobicContact CG1-CD2 4.13Å; I76-L441 HydrophobicContact CG2-CD2 3.8Å; R437-L441 HydrophobicContact CG-CD1 4.44Å; R437-L441 WeakPolarHBondContact O-CG 3.49Å; R437-L441 PolarHBondContact O-N 2.98Å; L438-L441 HydrophobicContact CD2-CD1 4.14Å; L438-L441 PolarHBondContact O-N 3.49Å; L439-L441 VanDerWaalsContact C-N 3.34Å; L439-L441 PolarHBondContact O-N 2.83Å; L441-H443 PolarHBondContact O-N 2.81Å; L441-T520 HydrophobicContact CD2-CG2 3.73Å; L441-T520 CarbonylContact O-C 3.53Å; L441-T520 WeakPolarHBondContact O-CB 3.42Å; L441-T520 PolarHBondContact O-OG1 3.02Å; L441-R521 WeakPolarHBondContact O-CA 3.41Å; L441-R521 PolarHBondContact O-N 3.42Å; L441-I524 HydrophobicContact CB-CD1 4.26Å; L441-I524 HydrophobicContact CB-CG1 4.02Å; L441-F567 HydrophobicContact CD1-CB 3.8Å; L441-F567 HydrophobicContact CD1-CD2 4.08Å; L441-F567 HydrophobicContact CD1-CG 4.24Å; L441-F567 HydrophobicContact CD2-CB 3.81Å; L441-F567 HydrophobicContact CD2-CD1 4.2Å; L441-F567 HydrophobicContact CD2-CD2 3.9Å; L441-F567 HydrophobicContact CD2-CG 3.72Å; L441-F567 HydrophobicContact CG-CB 4.45Å; L441-A569 HydrophobicContact CD1-CB 4.36Å
442	M	96	Very high	93.8	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.103	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	0.6	179.8	-69	176.2	65.8	0	0	113.8	L438 L439 F440 R458 A459 F462 R521 I524	L438-M442 VanDerWaalsContact O-CG 3.24Å; L438-M442 WeakPolarHBondContact O-CG 3.49Å; L438-M442 PolarHBondContact O-N 3.33Å; L439-M442 WeakPolarHBondContact O-CB 3.47Å; L439-M442 PolarHBondContact O-N 3.38Å; L439-M442 VanDerWaalsContact O-N 3.14Å; F440-M442 PolarHBondContact O-N 2.84Å; M442-R458 HydrophobicContact CE-CB 3.77Å; M442-A459 HydrophobicContact SD-CB 4.28Å; M442-F462 HydrophobicContact SD-CB 4.15Å; M442-R521 WeakPolarHBondContact O-CG 3.47Å; M442-I524 HydrophobicContact CG-CB 4.36Å; M442-I524 HydrophobicContact CG-CG1 4.34Å; M442-I524 HydrophobicContact CG-CG2 3.8Å
443	H	94.9	Very high	93.5	Very high	44 Å²	44	30.7 Å²	30.7	20%	0.204	18%	0.175	C	C	.	.	S	Bend	trans	-130.6	142.7	-180	-71.8	-94	0	0	0	109.8	L439 F440 L441 W445 L449	L439-H443 PolarHBondContact O-CD2 2.65Å; L439-H443 VanDerWaalsContact O-CD2 3.28Å; F440-H443 PolarHBondContact O-N 3.28Å; L441-H443 PolarHBondContact O-N 2.81Å; H443-W445 PolarHBondContact O-N 3.4Å; H443-L449 HydrophobicContact CB-CD1 4.37Å; H443-L449 WeakPolarHBondContact CE1-CD1 3.42Å; H443-L449 WeakPolarHBondContact ND1-CD1 3.49Å
444	N	95.1	Very high	93.2	Very high	40 Å²	40	31.8 Å²	31.8	21%	0.214	18%	0.184	C	C	.	.			trans	-57.6	135.8	174.5	-174.1	-58	0	0	0	109.5	R69 A446 D447	R69-N444 PolarHBondContact NH2-O 3.21Å; N444-A446 VanDerWaalsContact C-N 3.31Å; N444-A446 PolarHBondContact O-N 3.44Å; N444-A446 WeakPolarHBondContact OD1-CB 3.39Å; N444-A446 PolarHBondContact OD1-N 2.86Å; N444-D447 HydrophobicContact CB-CB 4.19Å; N444-D447 WeakPolarHBondContact CB-OD2 3.38Å; N444-D447 PolarHBondContact O-N 2.97Å
445	W	96.1	Very high	93	Very high	11 Å²	11	31 Å²	31	4%	0.042	18%	0.183	C	C	.	.	S	Bend	trans	-67.7	-27.6	-174.7	61.4	-95.7	0	0	0	113.7	L77 L402 H403 C404 G405 H443 S517	L77-W445 HydrophobicContact CD1-CD2 3.91Å; L77-W445 HydrophobicContact CD1-CE3 4.12Å; L77-W445 HydrophobicContact CD1-CG 4.19Å; L77-W445 HydrophobicContact CD2-CD2 4.48Å; L77-W445 HydrophobicContact CD2-CG 4.22Å; L402-W445 HydrophobicContact CB-CH2 4.2Å; L402-W445 HydrophobicContact CB-CZ3 4.24Å; L402-W445 HydrophobicContact CG-CH2 4.06Å; H403-W445 WeakPolarHBondContact O-CZ3 3.47Å; C404-W445 WeakPolarHBondContact CA-O 3.42Å; G405-W445 PolarHBondContact N-O 2.89Å; H443-W445 PolarHBondContact O-N 3.4Å; W445-S517 PolarHBondContact NE1-O 2.91Å
446	A	94.9	Very high	92.9	Very high	23 Å²	23	30.1 Å²	30.1	19%	0.19	18%	0.179	C	C	.	.	S	Bend	trans	-84.5	-20.5	-179	0	0	0	0	0	112.7	Y32 G405 N444	Y32-A446 HydrophobicContact CD1-CB 4.49Å; G405-A446 VanDerWaalsContact CA-O 3.28Å; G405-A446 WeakPolarHBondContact CA-O 3.48Å; G405-A446 PolarHBondContact N-O 2.96Å; N444-A446 VanDerWaalsContact C-N 3.31Å; N444-A446 PolarHBondContact O-N 3.44Å; N444-A446 WeakPolarHBondContact OD1-CB 3.39Å; N444-A446 PolarHBondContact OD1-N 2.86Å
447	D	93.6	Very high	92.7	Very high	93 Å²	93	36.4 Å²	36.4	50%	0.497	21%	0.208	S	C	.	.	S	Bend	trans	-84.3	151.8	-175.5	-69.7	-19.7	0	0	0	113.2	R69 G405 N444	R69-D447 PolarHBondContact NH2-O 3.08Å; G405-D447 WeakPolarHBondContact CA-O 3.39Å; N444-D447 HydrophobicContact CB-CB 4.19Å; N444-D447 WeakPolarHBondContact CB-OD2 3.38Å; N444-D447 PolarHBondContact O-N 2.97Å
448	V	91.7	Very high	92.5	Very high	77 Å²	77	43 Å²	43	47%	0.467	23%	0.233	S	C	.	.			trans	-63.1	135.5	170.9	177.7	0	0	0	0	109.9	T406 R408	T406-V448 WeakPolarHBondContact O-CA 3.41Å; R408-V448 HydrophobicContact CG-CG1 4.03Å
449	L	90.8	Very high	92.4	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.9	178.7	174.3	58.9	0	0	0	110.7	T406 L407 R408 L439 F440 H443 Y451	T406-L449 PolarHBondContact O-N 3.25Å; L407-L449 CarbonylContact C-O 3.37Å; L407-L449 WeakPolarHBondContact CA-O 3.29Å; L407-L449 HydrophobicContact CD1-CB 3.91Å; L407-L449 HydrophobicContact CD1-CD2 3.66Å; L407-L449 HydrophobicContact CD1-CG 3.68Å; R408-L449 PolarHBondContact N-O 2.9Å; L439-L449 HydrophobicContact CD2-CD2 4.27Å; L439-L449 HydrophobicContact CG-CD2 4.33Å; F440-L449 HydrophobicContact CD1-CD2 3.57Å; F440-L449 HydrophobicContact CE1-CD2 3.65Å; H443-L449 HydrophobicContact CB-CD1 4.37Å; H443-L449 WeakPolarHBondContact CE1-CD1 3.42Å; H443-L449 WeakPolarHBondContact ND1-CD1 3.49Å; L449-Y451 PolarHBondContact O-N 3.4Å
450	D	88.9	Confident	92.3	Very high	83 Å²	83	45.6 Å²	45.6	44%	0.444	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.1	168.2	-76.6	-57.1	0	0	0	110.3	R408 T455	R408-D450 WeakPolarHBondContact CB-OD1 3.41Å; D450-T455 WeakPolarHBondContact O-CG2 3.13Å; D450-T455 PolarHBondContact O-OG1 3.28Å
451	Y	88.1	Confident	92.2	Very high	21 Å²	21	50 Å²	50	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.4	175.8	-179.8	-100.8	0	0	0	111.1	M65 R408 I409 I422 Y431 L439 L449 M456	M65-Y451 HydrophobicContact CE-CE2 4.19Å; R408-Y451 WeakPolarHBondContact O-CB 3.37Å; R408-Y451 PolarHBondContact O-N 2.82Å; I409-Y451 HydrophobicContact CD1-CD1 3.87Å; I409-Y451 HydrophobicContact CD1-CE1 4.49Å; I409-Y451 HydrophobicContact CG1-CD1 3.97Å; I422-Y451 HydrophobicContact CD1-CE1 4.02Å; Y431-Y451 WeakPolarHBondContact CE2-OH 3.3Å; L439-Y451 HydrophobicContact CD2-CD2 3.93Å; L439-Y451 HydrophobicContact CD2-CE2 4.2Å; L449-Y451 PolarHBondContact O-N 3.4Å; Y451-M456 HydrophobicContact CD2-CG 4.44Å; Y451-M456 HydrophobicContact CE2-CG 3.64Å; Y451-M456 HydrophobicContact CE2-SD 3.89Å
452	S	87.3	Confident	92.1	Very high	41 Å²	41	50 Å²	50	29%	0.287	27%	0.267	S	S	.	.			trans	-153.7	166	176.8	64	0	0	0	0	111.3	S454 T455 M456	S452-S454 PolarHBondContact O-N 3.3Å; S452-S454 PolarHBondContact OG-OG 3.13Å; S452-T455 PolarHBondContact N-OG1 2.86Å; S452-T455 PolarHBondContact O-N 3.33Å; S452-T455 PolarHBondContact O-OG1 3.12Å; S452-T455 PolarHBondContact OG-N 2.94Å; S452-T455 PolarHBondContact OG-OG1 2.96Å; S452-M456 PolarHBondContact O-N 3.3Å; S452-M456 VanDerWaalsContact O-N 3.09Å
453	S	85.9	Confident	92.1	Very high	92 Å²	92	50 Å²	50	64%	0.643	27%	0.267	S	S	*	.	H	α-helix	trans	-58.9	-34.5	173.2	-49.1	0	0	0	0	112	M456 E457	S453-M456 PolarHBondContact O-N 3.44Å; S453-E457 PolarHBondContact O-N 2.99Å
454	S	86.9	Confident	92	Very high	67 Å²	67	52.8 Å²	52.8	47%	0.469	28%	0.278	S	S	.	.	H	α-helix	trans	-72.1	-34.1	179.7	67.4	0	0	0	0	113	S452	S452-S454 PolarHBondContact O-N 3.3Å; S452-S454 PolarHBondContact OG-OG 3.13Å
455	T	89.1	Confident	92	Very high	12 Å²	12	53.9 Å²	53.9	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-39.1	172.4	50.2	0	0	0	0	111.2	D450 S452 E457 R458	D450-T455 WeakPolarHBondContact O-CG2 3.13Å; D450-T455 PolarHBondContact O-OG1 3.28Å; S452-T455 PolarHBondContact N-OG1 2.86Å; S452-T455 PolarHBondContact O-N 3.33Å; S452-T455 PolarHBondContact O-OG1 3.12Å; S452-T455 PolarHBondContact OG-N 2.94Å; S452-T455 PolarHBondContact OG-OG1 2.96Å; T455-E457 PolarHBondContact O-N 2.99Å; T455-R458 PolarHBondContact O-N 2.82Å
456	M	93.1	Very high	92	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-38	174.7	-79	-54.1	-57.8	0	0	112.8	Y431 Q435 L436 L439 Y451 S452 S453 R458 A459 L460	Y431-M456 HydrophobicContact CD1-CE 3.57Å; Y431-M456 HydrophobicContact CD2-CE 4.19Å; Y431-M456 HydrophobicContact CE1-CB 3.98Å; Y431-M456 HydrophobicContact CE1-CE 3.98Å; Y431-M456 HydrophobicContact CE1-CG 4.2Å; Y431-M456 HydrophobicContact CE2-CG 4.1Å; Y431-M456 HydrophobicContact CG-CE 3.68Å; Q435-M456 HydrophobicContact CB-CE 4.1Å; L436-M456 HydrophobicContact CD2-CE 3.9Å; L436-M456 HydrophobicContact CD2-SD 4.03Å; L439-M456 HydrophobicContact CB-SD 3.88Å; L439-M456 HydrophobicContact CD1-SD 4.33Å; L439-M456 HydrophobicContact CD2-SD 3.43Å; L439-M456 WeakPolarHBondContact CD2-SD 3.4Å; L439-M456 HydrophobicContact CG-SD 4.05Å; Y451-M456 HydrophobicContact CD2-CG 4.44Å; Y451-M456 HydrophobicContact CE2-CG 3.64Å; Y451-M456 HydrophobicContact CE2-SD 3.89Å; S452-M456 PolarHBondContact O-N 3.3Å; S452-M456 VanDerWaalsContact O-N 3.09Å; S453-M456 PolarHBondContact O-N 3.44Å; M456-R458 PolarHBondContact O-N 2.92Å; M456-A459 WeakPolarHBondContact O-CB 3.48Å; M456-A459 PolarHBondContact O-N 3.34Å; M456-L460 WeakPolarHBondContact O-CG 3.43Å; M456-L460 PolarHBondContact O-N 3.03Å
457	E	91.1	Very high	92	Very high	132 Å²	132	53.9 Å²	53.9	62%	0.617	28%	0.281	S	S	*	.	H	α-helix	trans	-56.3	-34.6	177.9	-171.7	174.7	-167.5	0	0	112.6	S453 T455 A459 L460 Q461	S453-E457 PolarHBondContact O-N 2.99Å; T455-E457 PolarHBondContact O-N 2.99Å; E457-A459 PolarHBondContact O-N 3.38Å; E457-L460 PolarHBondContact O-N 3.41Å; E457-Q461 VanDerWaalsContact O-CB 3.32Å; E457-Q461 WeakPolarHBondContact O-CB 3.14Å; E457-Q461 PolarHBondContact O-N 3.37Å
458	R	92.5	Very high	91.9	Very high	138 Å²	138	51.5 Å²	51.5	52%	0.521	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-37.9	176.4	-55.7	-178.6	-162	174.1	4	112.5	M442 T455 M456 F462	M442-R458 HydrophobicContact CE-CB 3.77Å; T455-R458 PolarHBondContact O-N 2.82Å; M456-R458 PolarHBondContact O-N 2.92Å; R458-F462 WeakPolarHBondContact O-CB 3.39Å; R458-F462 PolarHBondContact O-N 3.35Å
459	A	94.9	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.6	-44.4	176.7	0	0	0	0	0	110.8	L438 L439 M442 M456 E457 Q461 F462 E463	L438-A459 HydrophobicContact CB-CB 4.31Å; L439-A459 HydrophobicContact CB-CB 4.02Å; M442-A459 HydrophobicContact SD-CB 4.28Å; M456-A459 WeakPolarHBondContact O-CB 3.48Å; M456-A459 PolarHBondContact O-N 3.34Å; E457-A459 PolarHBondContact O-N 3.38Å; A459-Q461 VanDerWaalsContact C-N 3.35Å; A459-Q461 PolarHBondContact O-N 2.83Å; A459-F462 PolarHBondContact O-N 2.92Å; A459-E463 PolarHBondContact O-N 3.36Å
460	L	93.6	Very high	92.4	Very high	57 Å²	57	47.7 Å²	47.7	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-57.5	-46.5	174	-65.2	177.3	0	0	0	111.7	Y431 Q435 M456 E457 F462 E463 K464	Y431-L460 HydrophobicContact CD1-CD2 4.43Å; Y431-L460 HydrophobicContact CE1-CD1 4.26Å; Q435-L460 HydrophobicContact CB-CD2 4.36Å; Q435-L460 HydrophobicContact CG-CD2 3.73Å; M456-L460 WeakPolarHBondContact O-CG 3.43Å; M456-L460 PolarHBondContact O-N 3.03Å; E457-L460 PolarHBondContact O-N 3.41Å; L460-F462 VanDerWaalsContact C-N 3.34Å; L460-F462 PolarHBondContact O-N 3.06Å; L460-E463 PolarHBondContact O-N 3.32Å; L460-K464 WeakPolarHBondContact O-CB 3.23Å; L460-K464 PolarHBondContact O-N 2.84Å
461	Q	94.3	Very high	92.5	Very high	96 Å²	96	44.2 Å²	44.2	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-65.7	-38.4	179.1	-175	60.7	21.9	0	0	111.8	E457 A459 K464 I465	E457-Q461 VanDerWaalsContact O-CB 3.32Å; E457-Q461 WeakPolarHBondContact O-CB 3.14Å; E457-Q461 PolarHBondContact O-N 3.37Å; A459-Q461 VanDerWaalsContact C-N 3.35Å; A459-Q461 PolarHBondContact O-N 2.83Å; Q461-K464 PolarHBondContact O-N 3.01Å; Q461-I465 HydrophobicContact CG-CD1 3.91Å; Q461-I465 VanDerWaalsContact O-CG1 3.3Å; Q461-I465 WeakPolarHBondContact O-CG1 3.48Å; Q461-I465 PolarHBondContact O-N 3.41Å
462	F	96.3	Very high	92.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-46.3	176	178.4	-110.7	0	0	0	111.9	L438 M442 R458 A459 L460 K464 I465 T466 I524 F527 R528 I531	L438-F462 HydrophobicContact CD1-CD1 4.32Å; L438-F462 HydrophobicContact CD2-CD1 3.97Å; L438-F462 HydrophobicContact CD2-CE1 3.86Å; M442-F462 HydrophobicContact SD-CB 4.15Å; R458-F462 WeakPolarHBondContact O-CB 3.39Å; R458-F462 PolarHBondContact O-N 3.35Å; A459-F462 PolarHBondContact O-N 2.92Å; L460-F462 VanDerWaalsContact C-N 3.34Å; L460-F462 PolarHBondContact O-N 3.06Å; F462-K464 VanDerWaalsContact C-N 3.31Å; F462-K464 PolarHBondContact O-N 3.43Å; F462-I465 PolarHBondContact O-N 2.74Å; F462-T466 WeakPolarHBondContact CE2-OG1 3.18Å; F462-T466 WeakPolarHBondContact CZ-OG1 3.3Å; F462-T466 VanDerWaalsContact O-CB 3.24Å; F462-T466 WeakPolarHBondContact O-CB 3.28Å; F462-T466 PolarHBondContact O-N 2.92Å; F462-T466 PolarHBondContact O-OG1 3.02Å; F462-I524 HydrophobicContact CD1-CG2 4.08Å; F462-I524 HydrophobicContact CD2-CG2 4Å; F462-I524 HydrophobicContact CE1-CD1 3.85Å; F462-I524 HydrophobicContact CE1-CG2 3.88Å; F462-I524 HydrophobicContact CE2-CG2 3.77Å; F462-I524 HydrophobicContact CG-CG2 4.14Å; F462-I524 HydrophobicContact CZ-CD1 4.02Å; F462-I524 HydrophobicContact CZ-CG2 3.71Å; F462-F527 HydrophobicContact CE2-CB 4.26Å; F462-F527 HydrophobicContact CZ-CB 4.09Å; F462-F527 HydrophobicContact CZ-CD2 4.2Å; F462-R528 HydrophobicContact CD2-CG 3.72Å; F462-R528 HydrophobicContact CE2-CG 3.71Å; F462-I531 HydrophobicContact CE2-CD1 4.47Å
463	E	94.9	Very high	93	Very high	21 Å²	21	41.8 Å²	41.8	10%	0.098	21%	0.211	C	C	.	.	H	α-helix	trans	-55.8	-48.7	174.5	-174	-174.8	-166.3	0	0	110.7	R434 Q435 L438 A459 L460 T466 N467 F579	R434-E463 IonicContact CZ-OE1 2.91Å; R434-E463 IonicContact NE-OE1 2.74Å; R434-E463 PolarHBondContact NE-OE1 3.31Å; R434-E463 IonicContact NH2-OE1 3.89Å; R434-E463 PolarHBondContact NH2-OE1 3.49Å; Q435-E463 WeakPolarHBondContact CG-OE2 3.4Å; Q435-E463 PolarHBondContact NE2-OE2 3.23Å; L438-E463 HydrophobicContact CD1-CB 3.68Å; L438-E463 HydrophobicContact CD1-CG 4.07Å; A459-E463 PolarHBondContact O-N 3.36Å; L460-E463 PolarHBondContact O-N 3.32Å; E463-T466 PolarHBondContact O-N 3.47Å; E463-N467 WeakPolarHBondContact O-CB 3.26Å; E463-N467 PolarHBondContact O-N 3.17Å; E463-F579 HydrophobicContact CG-CD2 4.49Å; E463-F579 HydrophobicContact CG-CE2 3.95Å; E463-F579 HydrophobicContact CG-CZ 4.26Å
464	K	92.6	Very high	93.3	Very high	101 Å²	101	38.8 Å²	38.8	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-54.3	179.9	-175.5	176.3	-175.8	171.7	0	112.2	L460 Q461 F462 T466 N467 E468	L460-K464 WeakPolarHBondContact O-CB 3.23Å; L460-K464 PolarHBondContact O-N 2.84Å; Q461-K464 PolarHBondContact O-N 3.01Å; F462-K464 VanDerWaalsContact C-N 3.31Å; F462-K464 PolarHBondContact O-N 3.43Å; K464-T466 VanDerWaalsContact C-N 3.26Å; K464-T466 PolarHBondContact O-N 3.41Å; K464-N467 PolarHBondContact O-N 2.82Å; K464-E468 WeakPolarHBondContact O-CG 3.38Å; K464-E468 PolarHBondContact O-N 3.31Å
465	I	95.6	Very high	93.4	Very high	64 Å²	64	35.7 Å²	35.7	33%	0.328	16%	0.164	S	C	.	.	H	α-helix	trans	-59.9	-41.1	-179.5	-68.3	166.3	0	0	0	110.9	Q461 F462 F469 I531	Q461-I465 HydrophobicContact CG-CD1 3.91Å; Q461-I465 VanDerWaalsContact O-CG1 3.3Å; Q461-I465 WeakPolarHBondContact O-CG1 3.48Å; Q461-I465 PolarHBondContact O-N 3.41Å; F462-I465 PolarHBondContact O-N 2.74Å; I465-F469 PolarHBondContact O-N 2.88Å; I465-I531 HydrophobicContact CG2-CG2 3.78Å
466	T	96.3	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-44.2	179.5	-57.6	0	0	0	0	111.2	F462 E463 K464 F469 F470 I531 L564 F579	F462-T466 WeakPolarHBondContact CE2-OG1 3.18Å; F462-T466 WeakPolarHBondContact CZ-OG1 3.3Å; F462-T466 VanDerWaalsContact O-CB 3.24Å; F462-T466 WeakPolarHBondContact O-CB 3.28Å; F462-T466 PolarHBondContact O-N 2.92Å; F462-T466 PolarHBondContact O-OG1 3.02Å; E463-T466 PolarHBondContact O-N 3.47Å; K464-T466 VanDerWaalsContact C-N 3.26Å; K464-T466 PolarHBondContact O-N 3.41Å; T466-F469 PolarHBondContact O-N 3.3Å; T466-F470 HydrophobicContact CG2-CD2 3.88Å; T466-F470 HydrophobicContact CG2-CE1 4.49Å; T466-F470 HydrophobicContact CG2-CE2 3.3Å; T466-F470 HydrophobicContact CG2-CZ 3.67Å; T466-F470 WeakPolarHBondContact O-CD2 3.13Å; T466-F470 VanDerWaalsContact O-CG 3.3Å; T466-F470 WeakPolarHBondContact O-CG 3.37Å; T466-F470 PolarHBondContact O-N 3.32Å; T466-I531 HydrophobicContact CG2-CD1 4.2Å; T466-I531 WeakPolarHBondContact OG1-CD1 3.45Å; T466-L564 HydrophobicContact CG2-CD1 4.2Å; T466-F579 HydrophobicContact CG2-CE2 3.95Å; T466-F579 HydrophobicContact CG2-CZ 3.82Å
467	N	93.6	Very high	93.3	Very high	33 Å²	33	37 Å²	37	18%	0.176	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-44.6	177.2	-164.7	38.4	0	0	0	111.5	E463 K464 F469 F470 L471 F579	E463-N467 WeakPolarHBondContact O-CB 3.26Å; E463-N467 PolarHBondContact O-N 3.17Å; K464-N467 PolarHBondContact O-N 2.82Å; N467-F469 VanDerWaalsContact C-N 3.29Å; N467-F469 PolarHBondContact O-N 2.86Å; N467-F470 PolarHBondContact O-N 3.49Å; N467-F470 VanDerWaalsContact O-N 3.16Å; N467-L471 WeakPolarHBondContact O-CB 3.24Å; N467-L471 VanDerWaalsContact O-CG 3.27Å; N467-L471 WeakPolarHBondContact O-CG 3.35Å; N467-L471 PolarHBondContact O-N 2.86Å; N467-F579 HydrophobicContact CB-CD2 3.76Å; N467-F579 HydrophobicContact CB-CE2 3.94Å
468	E	93.2	Very high	93.1	Very high	43 Å²	43	34.3 Å²	34.3	20%	0.201	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-41.7	176.6	-72.4	-48.8	136.8	0	0	112.3	K464 L471 L472 R644 K655	K464-E468 WeakPolarHBondContact O-CG 3.38Å; K464-E468 PolarHBondContact O-N 3.31Å; E468-L471 PolarHBondContact O-N 2.98Å; E468-L472 VanDerWaalsContact O-CB 3.29Å; E468-L472 WeakPolarHBondContact O-CB 3.41Å; E468-L472 PolarHBondContact O-N 2.95Å; E468-R644 IonicContact OE1-CZ 2.65Å; E468-R644 IonicContact OE1-NH1 2.72Å; E468-R644 PolarHBondContact OE1-NH1 3.05Å; E468-R644 IonicContact OE2-NH1 3.74Å; E468-K655 IonicContact OE2-NZ 2.83Å; E468-K655 PolarHBondContact OE2-NZ 3.48Å
469	F	96.4	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-46.3	175	177.8	-111.8	0	0	0	111.6	I465 T466 N467 L471 L472 V473 I531 I556 A557 I560	I465-F469 PolarHBondContact O-N 2.88Å; T466-F469 PolarHBondContact O-N 3.3Å; N467-F469 VanDerWaalsContact C-N 3.29Å; N467-F469 PolarHBondContact O-N 2.86Å; F469-L471 PolarHBondContact O-N 3.44Å; F469-L472 PolarHBondContact O-N 3.44Å; F469-V473 HydrophobicContact CD2-CG2 4.21Å; F469-V473 HydrophobicContact CE1-CG2 4.18Å; F469-V473 HydrophobicContact CE2-CG2 3.78Å; F469-V473 HydrophobicContact CZ-CG2 3.78Å; F469-V473 WeakPolarHBondContact O-CG2 3.46Å; F469-V473 PolarHBondContact O-N 3.18Å; F469-I531 HydrophobicContact CB-CG1 4.3Å; F469-I531 HydrophobicContact CB-CG2 3.69Å; F469-I531 HydrophobicContact CD1-CB 4.49Å; F469-I531 HydrophobicContact CD1-CG1 3.82Å; F469-I531 HydrophobicContact CD1-CG2 4.44Å; F469-I531 HydrophobicContact CD2-CG2 4.16Å; F469-I531 HydrophobicContact CE1-CG1 4.37Å; F469-I531 HydrophobicContact CG-CB 4.35Å; F469-I531 HydrophobicContact CG-CG1 4.08Å; F469-I531 HydrophobicContact CG-CG2 3.84Å; F469-I556 HydrophobicContact CE1-CG2 4.15Å; F469-I556 HydrophobicContact CZ-CG2 4.05Å; F469-A557 HydrophobicContact CE1-CB 4.1Å; F469-I560 HydrophobicContact CE1-CD1 4.31Å
470	F	95.2	Very high	92.3	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-45.4	177.3	-66.8	-36.5	0	0	0	112.9	T466 N467 L472 V473 K474 A557 I560 T561 L564 I577 F579	T466-F470 HydrophobicContact CG2-CD2 3.88Å; T466-F470 HydrophobicContact CG2-CE1 4.49Å; T466-F470 HydrophobicContact CG2-CE2 3.3Å; T466-F470 HydrophobicContact CG2-CZ 3.67Å; T466-F470 WeakPolarHBondContact O-CD2 3.13Å; T466-F470 VanDerWaalsContact O-CG 3.3Å; T466-F470 WeakPolarHBondContact O-CG 3.37Å; T466-F470 PolarHBondContact O-N 3.32Å; N467-F470 PolarHBondContact O-N 3.49Å; N467-F470 VanDerWaalsContact O-N 3.16Å; F470-L472 VanDerWaalsContact C-N 3.32Å; F470-L472 PolarHBondContact O-N 2.86Å; F470-V473 PolarHBondContact O-N 2.83Å; F470-K474 WeakPolarHBondContact O-CB 3.25Å; F470-K474 WeakPolarHBondContact O-CG 3.5Å; F470-K474 PolarHBondContact O-N 2.86Å; F470-A557 HydrophobicContact CD1-CB 4.02Å; F470-A557 HydrophobicContact CE1-CB 4.2Å; F470-A557 WeakPolarHBondContact CE1-O 3.31Å; F470-I560 HydrophobicContact CE1-CB 4.21Å; F470-I560 HydrophobicContact CE1-CG2 4.24Å; F470-I560 HydrophobicContact CZ-CB 4.18Å; F470-I560 HydrophobicContact CZ-CG2 3.79Å; F470-T561 WeakPolarHBondContact CE1-OG1 3.48Å; F470-T561 WeakPolarHBondContact CZ-OG1 3.49Å; F470-L564 HydrophobicContact CE2-CD1 4.36Å; F470-L564 HydrophobicContact CZ-CD1 4.3Å; F470-I577 HydrophobicContact CB-CG2 4.06Å; F470-I577 HydrophobicContact CD1-CG2 3.72Å; F470-I577 HydrophobicContact CE1-CG2 4.43Å; F470-I577 HydrophobicContact CG-CG2 4.12Å; F470-F579 HydrophobicContact CD2-CD2 4.31Å; F470-F579 HydrophobicContact CD2-CE2 4.31Å; F470-F579 HydrophobicContact CE2-CE2 4.24Å; F470-F579 HydrophobicContact CE2-CZ 4.29Å
471	L	91.8	Very high	92	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.052	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-39.8	178.5	-68	169.9	0	0	0	111.6	N467 E468 F469 K474 D475 K655 L656 V657	N467-L471 WeakPolarHBondContact O-CB 3.24Å; N467-L471 VanDerWaalsContact O-CG 3.27Å; N467-L471 WeakPolarHBondContact O-CG 3.35Å; N467-L471 PolarHBondContact O-N 2.86Å; E468-L471 PolarHBondContact O-N 2.98Å; F469-L471 PolarHBondContact O-N 3.44Å; L471-K474 PolarHBondContact O-N 2.98Å; L471-D475 WeakPolarHBondContact O-CB 3.12Å; L471-D475 PolarHBondContact O-N 2.89Å; L471-K655 HydrophobicContact CB-CB 4.42Å; L471-K655 HydrophobicContact CB-CD 3.9Å; L471-K655 HydrophobicContact CB-CG 4.03Å; L471-K655 HydrophobicContact CD1-CB 4.24Å; L471-K655 HydrophobicContact CD1-CD 4.16Å; L471-K655 HydrophobicContact CD2-CB 4.45Å; L471-L656 WeakPolarHBondContact CD2-O 3.1Å; L471-V657 HydrophobicContact CD1-CG2 3.85Å
472	L	92.6	Very high	91.6	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.047	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-46.1	175.5	-175.2	61.6	0	0	0	111.6	E468 F469 F470 D475 F476 I538	E468-L472 VanDerWaalsContact O-CB 3.29Å; E468-L472 WeakPolarHBondContact O-CB 3.41Å; E468-L472 PolarHBondContact O-N 2.95Å; F469-L472 PolarHBondContact O-N 3.44Å; F470-L472 VanDerWaalsContact C-N 3.32Å; F470-L472 PolarHBondContact O-N 2.86Å; L472-D475 WeakPolarHBondContact O-CB 3.44Å; L472-D475 PolarHBondContact O-N 2.83Å; L472-F476 HydrophobicContact CD1-CD2 4.17Å; L472-F476 HydrophobicContact CD1-CE2 3.75Å; L472-F476 HydrophobicContact CG-CD2 4.17Å; L472-F476 HydrophobicContact CG-CE2 3.99Å; L472-F476 VanDerWaalsContact O-CD2 3.31Å; L472-F476 WeakPolarHBondContact O-CD2 3.27Å; L472-F476 PolarHBondContact O-N 3.25Å; L472-F476 VanDerWaalsContact O-N 3.1Å; L472-I538 HydrophobicContact CD2-CD1 3.66Å; L472-I538 HydrophobicContact CD2-CG2 4.25Å; L472-I538 HydrophobicContact CG-CD1 4.06Å
473	V	93.9	Very high	90.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-44.6	177	173	0	0	0	0	110.9	F469 F470 D475 F476 L477 L553 A557 I577	F469-V473 HydrophobicContact CD2-CG2 4.21Å; F469-V473 HydrophobicContact CE1-CG2 4.18Å; F469-V473 HydrophobicContact CE2-CG2 3.78Å; F469-V473 HydrophobicContact CZ-CG2 3.78Å; F469-V473 WeakPolarHBondContact O-CG2 3.46Å; F469-V473 PolarHBondContact O-N 3.18Å; F470-V473 PolarHBondContact O-N 2.83Å; V473-D475 VanDerWaalsContact C-N 3.28Å; V473-D475 PolarHBondContact O-N 3.35Å; V473-F476 PolarHBondContact O-N 3.36Å; V473-L477 HydrophobicContact CG1-CD1 3.84Å; V473-L477 HydrophobicContact CG1-CG 4.22Å; V473-L477 VanDerWaalsContact O-CG 3.25Å; V473-L477 WeakPolarHBondContact O-CG 3.09Å; V473-L477 PolarHBondContact O-N 2.9Å; V473-L553 HydrophobicContact CG1-CB 4.2Å; V473-L553 HydrophobicContact CG2-CB 4.21Å; V473-A557 HydrophobicContact CB-CB 4.31Å; V473-A557 HydrophobicContact CG1-CB 3.95Å; V473-A557 HydrophobicContact CG2-CB 4.35Å; V473-I577 HydrophobicContact CG1-CD1 4.26Å
474	K	90.9	Very high	90.5	Very high	29 Å²	29	41.4 Å²	41.4	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-55.8	-43.1	174.8	-78.7	-174.9	173.3	-166.1	0	111.8	F470 L471 L477 R478 I577 E597	F470-K474 WeakPolarHBondContact O-CB 3.25Å; F470-K474 WeakPolarHBondContact O-CG 3.5Å; F470-K474 PolarHBondContact O-N 2.86Å; L471-K474 PolarHBondContact O-N 2.98Å; K474-L477 PolarHBondContact O-N 3.49Å; K474-R478 WeakPolarHBondContact O-CG 3.37Å; K474-R478 PolarHBondContact O-N 3.46Å; K474-I577 WeakPolarHBondContact CE-O 3.45Å; K474-I577 HydrophobicContact CG-CG2 4.35Å; K474-E597 IonicContact NZ-OE2 3.45Å; K474-E597 PolarHBondContact NZ-OE2 3.41Å
475	D	89.3	Confident	90.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.011	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-47.1	177.8	-172.3	66.8	0	0	0	113	L471 L472 V473 L477 R478 R479 V653	L471-D475 WeakPolarHBondContact O-CB 3.12Å; L471-D475 PolarHBondContact O-N 2.89Å; L472-D475 WeakPolarHBondContact O-CB 3.44Å; L472-D475 PolarHBondContact O-N 2.83Å; V473-D475 VanDerWaalsContact C-N 3.28Å; V473-D475 PolarHBondContact O-N 3.35Å; D475-L477 VanDerWaalsContact C-N 3.32Å; D475-L477 PolarHBondContact O-N 3.16Å; D475-R478 PolarHBondContact O-N 3.49Å; D475-R478 IonicContact OD1-NH2 2.87Å; D475-R478 PolarHBondContact OD1-NH2 3.15Å; D475-R479 VanDerWaalsContact CG-NH2 3.29Å; D475-R479 PolarHBondContact O-N 3.31Å; D475-R479 IonicContact OD1-CZ 2.73Å; D475-R479 VanDerWaalsContact OD1-CZ 3.3Å; D475-R479 IonicContact OD1-NE 2.67Å; D475-R479 IonicContact OD1-NH1 2.91Å; D475-R479 IonicContact OD1-NH2 3.45Å; D475-R479 PolarHBondContact OD1-NH2 2.89Å; D475-R479 IonicContact OD2-CZ 2.56Å; D475-R479 IonicContact OD2-NE 2.78Å; D475-R479 IonicContact OD2-NH1 3.68Å; D475-R479 PolarHBondContact OD2-NH1 3.08Å; D475-R479 IonicContact OD2-NH2 3.86Å; D475-R479 PolarHBondContact OD2-NH2 3.26Å; D475-R479 VanDerWaalsContact OD2-NH2 3.11Å; D475-V653 HydrophobicContact CB-CG1 4.18Å
476	F	90.3	Very high	89.3	Confident	16 Å²	16	44.3 Å²	44.3	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-42.1	173.8	-84.7	-73.4	0	0	0	112.2	L472 V473 R479 H480 I538 E542 P548	L472-F476 HydrophobicContact CD1-CD2 4.17Å; L472-F476 HydrophobicContact CD1-CE2 3.75Å; L472-F476 HydrophobicContact CG-CD2 4.17Å; L472-F476 HydrophobicContact CG-CE2 3.99Å; L472-F476 VanDerWaalsContact O-CD2 3.31Å; L472-F476 WeakPolarHBondContact O-CD2 3.27Å; L472-F476 PolarHBondContact O-N 3.25Å; L472-F476 VanDerWaalsContact O-N 3.1Å; V473-F476 PolarHBondContact O-N 3.36Å; F476-R479 PolarHBondContact O-N 2.71Å; F476-H480 AromaticContact CD1-CD2 3.85Å; F476-H480 WeakPolarHBondContact O-CB 3.09Å; F476-H480 PolarHBondContact O-N 3.17Å; F476-I538 HydrophobicContact CD2-CD1 4.45Å; F476-I538 HydrophobicContact CE2-CD1 4.3Å; F476-I538 HydrophobicContact CE2-CG1 4.31Å; F476-I538 HydrophobicContact CE2-CG2 3.5Å; F476-I538 VanDerWaalsContact CE2-CG2 3.5Å; F476-I538 HydrophobicContact CZ-CG2 3.72Å; F476-E542 HydrophobicContact CZ-CG 4.46Å; F476-P548 HydrophobicContact CD1-CG 3.64Å; F476-P548 VanDerWaalsContact CE1-CD 3.5Å; F476-P548 HydrophobicContact CE1-CG 3.52Å; F476-P548 HydrophobicContact CE2-CG 4.42Å; F476-P548 HydrophobicContact CG-CG 4.18Å; F476-P548 HydrophobicContact CZ-CG 3.95Å
477	L	90	Very high	88.4	Confident	23 Å²	23	50 Å²	50	12%	0.12	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-48.3	179	-69	170.4	0	0	0	111.3	V473 K474 D475 R479 Y481 C550 R554 I577	V473-L477 HydrophobicContact CG1-CD1 3.84Å; V473-L477 HydrophobicContact CG1-CG 4.22Å; V473-L477 VanDerWaalsContact O-CG 3.25Å; V473-L477 WeakPolarHBondContact O-CG 3.09Å; V473-L477 PolarHBondContact O-N 2.9Å; K474-L477 PolarHBondContact O-N 3.49Å; D475-L477 VanDerWaalsContact C-N 3.32Å; D475-L477 PolarHBondContact O-N 3.16Å; L477-R479 VanDerWaalsContact C-N 3.29Å; L477-R479 PolarHBondContact O-N 3.09Å; L477-Y481 HydrophobicContact CD2-CD1 3.68Å; L477-Y481 HydrophobicContact CD2-CD2 4.49Å; L477-Y481 HydrophobicContact CD2-CE1 4.47Å; L477-Y481 HydrophobicContact CD2-CG 3.69Å; L477-Y481 WeakPolarHBondContact O-CA 3.43Å; L477-Y481 VanDerWaalsContact O-CB 3.29Å; L477-Y481 WeakPolarHBondContact O-CB 3.2Å; L477-Y481 PolarHBondContact O-N 3.37Å; L477-C550 HydrophobicContact CD2-CB 3.82Å; L477-R554 HydrophobicContact CD1-CB 4.11Å; L477-R554 HydrophobicContact CD1-CG 4.22Å; L477-R554 HydrophobicContact CD2-CB 3.85Å; L477-R554 HydrophobicContact CD2-CG 4.43Å; L477-I577 HydrophobicContact CD1-CD1 3.63Å
478	R	87	Confident	87.4	Confident	76 Å²	76	48.7 Å²	48.7	29%	0.287	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-38.6	179.5	-71	-179.8	-52.4	-133	6.3	112.7	K474 D475 E597 V654	K474-R478 WeakPolarHBondContact O-CG 3.37Å; K474-R478 PolarHBondContact O-N 3.46Å; D475-R478 PolarHBondContact O-N 3.49Å; D475-R478 IonicContact OD1-NH2 2.87Å; D475-R478 PolarHBondContact OD1-NH2 3.15Å; R478-E597 IonicContact CZ-OE1 3.8Å; R478-E597 IonicContact NH1-OE1 3.72Å; R478-E597 PolarHBondContact NH1-OE1 2.99Å; R478-V654 PolarHBondContact NH2-O 3.4Å
479	R	83.9	Confident	86.9	Confident	76 Å²	76	52.6 Å²	52.6	29%	0.287	25%	0.25	S	C	.	.	H	α-helix	trans	-81.7	-39.1	-176.7	-71.3	-173.1	-177.5	128.5	26.2	113.9	D475 F476 L477 T652	D475-R479 VanDerWaalsContact CG-NH2 3.29Å; D475-R479 PolarHBondContact O-N 3.31Å; D475-R479 IonicContact OD1-CZ 2.73Å; D475-R479 VanDerWaalsContact OD1-CZ 3.3Å; D475-R479 IonicContact OD1-NE 2.67Å; D475-R479 IonicContact OD1-NH1 2.91Å; D475-R479 IonicContact OD1-NH2 3.45Å; D475-R479 PolarHBondContact OD1-NH2 2.89Å; D475-R479 IonicContact OD2-CZ 2.56Å; D475-R479 IonicContact OD2-NE 2.78Å; D475-R479 IonicContact OD2-NH1 3.68Å; D475-R479 PolarHBondContact OD2-NH1 3.08Å; D475-R479 IonicContact OD2-NH2 3.86Å; D475-R479 PolarHBondContact OD2-NH2 3.26Å; D475-R479 VanDerWaalsContact OD2-NH2 3.11Å; F476-R479 PolarHBondContact O-N 2.71Å; L477-R479 VanDerWaalsContact C-N 3.29Å; L477-R479 PolarHBondContact O-N 3.09Å; R479-T652 PolarHBondContact NH2-O 2.91Å
480	H	86.8	Confident	86.4	Confident	64 Å²	64	56.3 Å²	56.3	30%	0.296	27%	0.267	S	S	.	.	H	α-helix	trans	-123.6	-17.6	-162.9	-59.1	-68.2	0	0	0	114.2	F476 V547	F476-H480 AromaticContact CD1-CD2 3.85Å; F476-H480 WeakPolarHBondContact O-CB 3.09Å; F476-H480 PolarHBondContact O-N 3.17Å; H480-V547 HydrophobicContact CB-CG1 3.69Å; H480-V547 VanDerWaalsContact CG-CG1 3.49Å
481	Y	87.3	Confident	86.1	Confident	36 Å²	36	65.2 Å²	65.2	14%	0.141	31%	0.306	C	S	.	.			trans	-97.1	114.9	-178.3	-174.5	-116.3	0	0	0	111.5	L477 P483 C550 L551	L477-Y481 HydrophobicContact CD2-CD1 3.68Å; L477-Y481 HydrophobicContact CD2-CD2 4.49Å; L477-Y481 HydrophobicContact CD2-CE1 4.47Å; L477-Y481 HydrophobicContact CD2-CG 3.69Å; L477-Y481 WeakPolarHBondContact O-CA 3.43Å; L477-Y481 VanDerWaalsContact O-CB 3.29Å; L477-Y481 WeakPolarHBondContact O-CB 3.2Å; L477-Y481 PolarHBondContact O-N 3.37Å; Y481-P483 HydrophobicContact CD1-CB 4.5Å; Y481-P483 HydrophobicContact CD1-CG 4.47Å; Y481-P483 HydrophobicContact CE1-CB 3.74Å; Y481-P483 HydrophobicContact CE1-CG 4.08Å; Y481-C550 HydrophobicContact CD2-CB 4.21Å; Y481-C550 HydrophobicContact CG-CB 4.29Å; Y481-L551 HydrophobicContact CE2-CB 4.11Å; Y481-L551 HydrophobicContact CE2-CD1 4.31Å
482	K	85.3	Confident	86.1	Confident	91 Å²	91	67.5 Å²	67.5	40%	0.396	32%	0.316	S	S	.	.			trans	-117	90	176.7	-62.7	-172.9	-176.3	177.1	0	109	D484 R485	K482-D484 PolarHBondContact O-N 3.36Å; K482-R485 HydrophobicContact CB-CB 4.07Å; K482-R485 HydrophobicContact CB-CG 4.16Å; K482-R485 PolarHBondContact O-N 3.01Å; K482-R485 VanDerWaalsContact O-N 3.09Å
483	P	82.1	Confident	86	Confident	71 Å²	71	73 Å²	73	46%	0.461	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.5	-173.3	25.6	-33.4	0	0	0	113.3	Y481 R485 Y489	Y481-P483 HydrophobicContact CD1-CB 4.5Å; Y481-P483 HydrophobicContact CD1-CG 4.47Å; Y481-P483 HydrophobicContact CE1-CB 3.74Å; Y481-P483 HydrophobicContact CE1-CG 4.08Å; P483-R485 VanDerWaalsContact C-N 3.27Å; P483-Y489 WeakPolarHBondContact O-CE2 3.49Å; P483-Y489 PolarHBondContact O-OH 2.91Å
484	D	86	Confident	85.9	Confident	124 Å²	124	75.7 Å²	75.7	66%	0.663	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.5	176.5	64.3	-43.2	0	0	0	113.2	K482	K482-D484 PolarHBondContact O-N 3.36Å
485	R	83.8	Confident	85.9	Confident	124 Å²	124	77.4 Å²	77.4	47%	0.468	38%	0.376	S	S	.	.	S	Bend	trans	-130.4	151.3	-176.2	-53.2	-171.8	-171.4	-161.3	-3.9	112.1	K482 P483 E487 G488 Y489	K482-R485 HydrophobicContact CB-CB 4.07Å; K482-R485 HydrophobicContact CB-CG 4.16Å; K482-R485 PolarHBondContact O-N 3.01Å; K482-R485 VanDerWaalsContact O-N 3.09Å; P483-R485 VanDerWaalsContact C-N 3.27Å; R485-E487 VanDerWaalsContact CB-OE2 3.28Å; R485-E487 WeakPolarHBondContact CB-OE2 3.48Å; R485-E487 WeakPolarHBondContact CD-OE2 3.41Å; R485-E487 PolarHBondContact O-N 3.31Å; R485-G488 PolarHBondContact O-N 3Å; R485-G488 VanDerWaalsContact O-N 3.15Å; R485-Y489 WeakPolarHBondContact O-CD2 3.5Å
486	S	80.3	Confident	86.2	Confident	101 Å²	101	77.7 Å²	77.7	71%	0.706	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-61.4	-28.4	175.4	50	0	0	0	0	112.5	G488 Y489	S486-G488 PolarHBondContact O-N 3.09Å; S486-Y489 PolarHBondContact O-N 3.17Å
487	E	76.8	Confident	86.4	Confident	120 Å²	120	81 Å²	81	56%	0.561	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-63.1	-23.5	177.4	-57.6	115.7	-176.7	0	0	113.5	R485 Y489	R485-E487 VanDerWaalsContact CB-OE2 3.28Å; R485-E487 WeakPolarHBondContact CB-OE2 3.48Å; R485-E487 WeakPolarHBondContact CD-OE2 3.41Å; R485-E487 PolarHBondContact O-N 3.31Å; E487-Y489 PolarHBondContact O-N 2.98Å
488	G	73.6	Confident	86.7	Confident	5 Å²	5	86.4 Å²	86.4	5%	0.052	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-71.5	-14.9	174.4	0	0	0	0	0	114	R485 S486	R485-G488 PolarHBondContact O-N 3Å; R485-G488 VanDerWaalsContact O-N 3.15Å; S486-G488 PolarHBondContact O-N 3.09Å
489	Y	82.4	Confident	87.2	Confident	126 Å²	126	83.5 Å²	83.5	49%	0.494	41%	0.408	S	S	.	.	S	Bend	trans	-111.4	81.9	-175.4	-60.4	-88.4	0	0	0	110.4	P483 R485 S486 E487 L551	P483-Y489 WeakPolarHBondContact O-CE2 3.49Å; P483-Y489 PolarHBondContact O-OH 2.91Å; R485-Y489 WeakPolarHBondContact O-CD2 3.5Å; S486-Y489 PolarHBondContact O-N 3.17Å; E487-Y489 PolarHBondContact O-N 2.98Å; Y489-L551 HydrophobicContact CD1-CD2 3.91Å; Y489-L551 HydrophobicContact CE1-CD2 4.14Å
490	Q	85.3	Confident	87.8	Confident	77 Å²	77	84.1 Å²	84.1	36%	0.36	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-78.8	139.4	-179.1	-61.7	173	-1	0	0	111.5	F492 N549	Q490-F492 PolarHBondContact O-N 3.26Å; Q490-N549 PolarHBondContact O-ND2 3.13Å
491	K	88.3	Confident	88.3	Confident	189 Å²	189	87.9 Å²	87.9	82%	0.822	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-60.1	132.8	174	178.2	179.7	176.9	-177.2	0	110.6
492	F	91.6	Very high	88.8	Confident	58 Å²	58	89.4 Å²	89.4	25%	0.254	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-71.3	133.1	173.4	-73.3	11.7	0	0	0	110.4	Q490 E496 L497 M500 N549 L552	Q490-F492 PolarHBondContact O-N 3.26Å; F492-E496 HydrophobicContact CB-CB 3.82Å; F492-E496 HydrophobicContact CD1-CB 4.05Å; F492-E496 HydrophobicContact CD1-CG 4.45Å; F492-E496 HydrophobicContact CD2-CB 4.16Å; F492-E496 HydrophobicContact CG-CB 3.76Å; F492-L497 HydrophobicContact CB-CD2 4.06Å; F492-L497 HydrophobicContact CB-CG 4.14Å; F492-L497 HydrophobicContact CD2-CD2 4.26Å; F492-M500 HydrophobicContact CD2-SD 4.08Å; F492-M500 HydrophobicContact CE2-CB 4.29Å; F492-M500 HydrophobicContact CE2-CG 4.34Å; F492-M500 HydrophobicContact CE2-SD 3.62Å; F492-N549 WeakPolarHBondContact CD1-ND2 3.44Å; F492-N549 VanDerWaalsContact CE1-ND2 3.32Å; F492-N549 WeakPolarHBondContact CE1-ND2 3.48Å; F492-L552 HydrophobicContact CZ-CB 4.4Å
493	Q	91.3	Very high	89.4	Confident	123 Å²	123	86 Å²	86	58%	0.575	43%	0.427	S	S	*	.			trans	-104.3	-175.7	170.9	-47.9	179.2	-3.7	0	0	109	K495 E496 L497	Q493-K495 PolarHBondContact O-N 3.11Å; Q493-K495 VanDerWaalsContact O-N 3.12Å; Q493-E496 WeakPolarHBondContact CA-OE2 3.3Å; Q493-E496 WeakPolarHBondContact CB-OE2 3.42Å; Q493-E496 PolarHBondContact N-OE2 2.68Å; Q493-E496 PolarHBondContact O-N 3.45Å; Q493-L497 VanDerWaalsContact O-CG 3.31Å; Q493-L497 WeakPolarHBondContact O-CG 3.3Å; Q493-L497 PolarHBondContact O-N 3.34Å
494	G	91.4	Very high	90.1	Very high	58 Å²	58	84.2 Å²	84.2	60%	0.598	42%	0.421	S	S	*	.	H	α-helix	trans	-54.5	-35.4	-176.3	0	0	0	0	0	113.8	K498	G494-K498 WeakPolarHBondContact O-CB 3.32Å; G494-K498 PolarHBondContact O-N 3.2Å; G494-K498 VanDerWaalsContact O-N 3.07Å
495	K	91.6	Very high	90.7	Very high	65 Å²	65	83.9 Å²	83.9	28%	0.283	41%	0.414	S	S	.	.	H	α-helix	trans	-72.6	-44.5	178.9	-61.9	-170.6	-172.1	-179.1	0	112.7	Q493 L497 K498 L499 E540 E544	Q493-K495 PolarHBondContact O-N 3.11Å; Q493-K495 VanDerWaalsContact O-N 3.12Å; K495-L497 VanDerWaalsContact C-N 3.32Å; K495-K498 PolarHBondContact O-N 2.87Å; K495-L499 PolarHBondContact O-N 2.92Å; K495-E540 VanDerWaalsContact CE-OE1 3.28Å; K495-E540 WeakPolarHBondContact CE-OE1 3.45Å; K495-E540 IonicContact NZ-OE1 2.83Å; K495-E540 PolarHBondContact NZ-OE1 3.35Å; K495-E544 IonicContact NZ-OE1 2.78Å; K495-E544 PolarHBondContact NZ-OE1 2.97Å; K495-E544 IonicContact NZ-OE2 3.96Å; K495-E544 PolarHBondContact NZ-OE2 2.91Å
496	E	94.8	Very high	91.4	Very high	8 Å²	8	78.2 Å²	78.2	4%	0.037	39%	0.393	C	S	.	.	H	α-helix	trans	-65	-38.6	176.7	-67.3	70.5	-150	0	0	111.2	F492 Q493 L499 M500 Y537 K541 N549 L552	F492-E496 HydrophobicContact CB-CB 3.82Å; F492-E496 HydrophobicContact CD1-CB 4.05Å; F492-E496 HydrophobicContact CD1-CG 4.45Å; F492-E496 HydrophobicContact CD2-CB 4.16Å; F492-E496 HydrophobicContact CG-CB 3.76Å; Q493-E496 WeakPolarHBondContact CA-OE2 3.3Å; Q493-E496 WeakPolarHBondContact CB-OE2 3.42Å; Q493-E496 PolarHBondContact N-OE2 2.68Å; Q493-E496 PolarHBondContact O-N 3.45Å; E496-L499 PolarHBondContact O-N 3.29Å; E496-M500 VanDerWaalsContact O-CB 3.29Å; E496-M500 WeakPolarHBondContact O-CB 3.42Å; E496-M500 PolarHBondContact O-N 3.4Å; E496-Y537 HydrophobicContact CG-CE2 4.36Å; E496-Y537 WeakPolarHBondContact CG-OH 3.48Å; E496-Y537 WeakPolarHBondContact OE1-CE2 3.49Å; E496-Y537 PolarHBondContact OE1-OH 3.48Å; E496-K541 WeakPolarHBondContact OE1-CE 3.27Å; E496-K541 IonicContact OE1-NZ 3.21Å; E496-K541 PolarHBondContact OE1-NZ 3.19Å; E496-N549 HydrophobicContact CG-CB 3.92Å; E496-L552 HydrophobicContact CB-CD2 4.19Å; E496-L552 HydrophobicContact CG-CD2 4.47Å
497	L	95.7	Very high	92.2	Very high	87 Å²	87	77.8 Å²	77.8	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-45.6	174.7	-70	171.6	0	0	0	111.3	F492 Q493 K495 M500 E501	F492-L497 HydrophobicContact CB-CD2 4.06Å; F492-L497 HydrophobicContact CB-CG 4.14Å; F492-L497 HydrophobicContact CD2-CD2 4.26Å; Q493-L497 VanDerWaalsContact O-CG 3.31Å; Q493-L497 WeakPolarHBondContact O-CG 3.3Å; Q493-L497 PolarHBondContact O-N 3.34Å; K495-L497 VanDerWaalsContact C-N 3.32Å; L497-M500 HydrophobicContact CD2-CE 4.27Å; L497-M500 PolarHBondContact O-N 3.27Å; L497-E501 PolarHBondContact O-N 3.5Å
498	K	96	Very high	93.2	Very high	135 Å²	135	75.2 Å²	75.2	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-62.9	-45.9	176.3	-172.3	178.9	-178.7	-177.8	0	112.1	G494 K495 M500 E501 E502	G494-K498 WeakPolarHBondContact O-CB 3.32Å; G494-K498 PolarHBondContact O-N 3.2Å; G494-K498 VanDerWaalsContact O-N 3.07Å; K495-K498 PolarHBondContact O-N 2.87Å; K498-M500 VanDerWaalsContact C-N 3.3Å; K498-M500 PolarHBondContact O-N 3.38Å; K498-E501 PolarHBondContact O-N 3.14Å; K498-E502 WeakPolarHBondContact O-CG 3.32Å; K498-E502 PolarHBondContact O-N 3.07Å
499	L	96.5	Very high	94.3	Very high	15 Å²	15	77.1 Å²	77.1	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-63.7	-36.9	177.7	178.5	59.5	0	0	0	111.8	K495 E496 F503 L533 Y537 L552 I556	K495-L499 PolarHBondContact O-N 2.92Å; E496-L499 PolarHBondContact O-N 3.29Å; L499-F503 VanDerWaalsContact O-CB 3.25Å; L499-F503 WeakPolarHBondContact O-CB 3.47Å; L499-F503 PolarHBondContact O-N 2.85Å; L499-L533 HydrophobicContact CD1-CB 3.97Å; L499-Y537 HydrophobicContact CD2-CD1 3.8Å; L499-Y537 HydrophobicContact CD2-CD2 4.04Å; L499-Y537 HydrophobicContact CD2-CE1 4.37Å; L499-Y537 HydrophobicContact CD2-CG 3.62Å; L499-L552 HydrophobicContact CB-CD2 4.03Å; L499-L552 HydrophobicContact CD2-CD2 3.66Å; L499-L552 HydrophobicContact CD2-CG 4.12Å; L499-L552 HydrophobicContact CG-CD2 3.87Å; L499-L552 HydrophobicContact CG-CG 4.39Å; L499-I556 HydrophobicContact CD1-CD1 4.34Å; L499-I556 HydrophobicContact CD2-CD1 4.35Å; L499-I556 HydrophobicContact CG-CD1 4.37Å
500	M	96.8	Very high	95.1	Very high	90 Å²	90	71.1 Å²	71.1	44%	0.443	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-40.9	174.7	-176.5	-173.3	71.5	0	0	111.9	F492 E496 L497 K498 F503 G504 L552	F492-M500 HydrophobicContact CD2-SD 4.08Å; F492-M500 HydrophobicContact CE2-CB 4.29Å; F492-M500 HydrophobicContact CE2-CG 4.34Å; F492-M500 HydrophobicContact CE2-SD 3.62Å; E496-M500 VanDerWaalsContact O-CB 3.29Å; E496-M500 WeakPolarHBondContact O-CB 3.42Å; E496-M500 PolarHBondContact O-N 3.4Å; L497-M500 HydrophobicContact CD2-CE 4.27Å; L497-M500 PolarHBondContact O-N 3.27Å; K498-M500 VanDerWaalsContact C-N 3.3Å; K498-M500 PolarHBondContact O-N 3.38Å; M500-F503 PolarHBondContact O-N 3.45Å; M500-G504 PolarHBondContact O-N 2.95Å; M500-L552 HydrophobicContact CB-CD1 4.45Å
501	E	97.2	Very high	95.7	Very high	142 Å²	142	70.1 Å²	70.1	66%	0.664	35%	0.353	S	S	*	.	H	α-helix	trans	-64	-49.4	176.1	-174.6	176.6	-171.7	0	0	111.6	L497 K498 F503 G504 K505	L497-E501 PolarHBondContact O-N 3.5Å; K498-E501 PolarHBondContact O-N 3.14Å; E501-F503 VanDerWaalsContact C-N 3.3Å; E501-F503 PolarHBondContact O-N 3.17Å; E501-G504 PolarHBondContact O-N 3.4Å; E501-G504 VanDerWaalsContact O-N 3.11Å; E501-K505 PolarHBondContact O-N 3.34Å
502	E	97.7	Very high	96.2	Very high	68 Å²	68	66.1 Å²	66.1	32%	0.318	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-39.4	175.5	-67.4	-67	170	0	0	111.7	K498 K505 L506 L533	K498-E502 WeakPolarHBondContact O-CG 3.32Å; K498-E502 PolarHBondContact O-N 3.07Å; E502-K505 PolarHBondContact O-N 3.19Å; E502-L506 WeakPolarHBondContact O-CB 3.45Å; E502-L506 WeakPolarHBondContact O-CG 3.42Å; E502-L506 PolarHBondContact O-N 3.31Å; E502-L533 HydrophobicContact CB-CD1 4.21Å
503	F	98.1	Very high	96.5	Very high	20 Å²	20	63.9 Å²	63.9	9%	0.088	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-44	173.9	178.2	-146.6	0	0	0	111.7	L499 M500 E501 K505 L506 K507 L530 N555 I556 Y559	L499-F503 VanDerWaalsContact O-CB 3.25Å; L499-F503 WeakPolarHBondContact O-CB 3.47Å; L499-F503 PolarHBondContact O-N 2.85Å; M500-F503 PolarHBondContact O-N 3.45Å; E501-F503 VanDerWaalsContact C-N 3.3Å; E501-F503 PolarHBondContact O-N 3.17Å; F503-K505 VanDerWaalsContact C-N 3.35Å; F503-K505 PolarHBondContact O-N 3.17Å; F503-L506 PolarHBondContact O-N 3.18Å; F503-K507 HydrophobicContact CD2-CD 4.26Å; F503-K507 HydrophobicContact CD2-CG 4Å; F503-K507 HydrophobicContact CE1-CD 4.37Å; F503-K507 HydrophobicContact CE2-CD 3.83Å; F503-K507 HydrophobicContact CE2-CG 3.71Å; F503-K507 HydrophobicContact CZ-CD 3.89Å; F503-K507 HydrophobicContact CZ-CG 4.29Å; F503-K507 WeakPolarHBondContact O-CG 3.37Å; F503-K507 PolarHBondContact O-N 3.05Å; F503-L530 HydrophobicContact CD2-CD2 3.58Å; F503-L530 HydrophobicContact CE2-CD1 4.41Å; F503-L530 HydrophobicContact CE2-CD2 4.21Å; F503-L530 HydrophobicContact CG-CD2 4.49Å; F503-N555 HydrophobicContact CE1-CB 4.16Å; F503-I556 HydrophobicContact CD1-CG1 3.92Å; F503-I556 HydrophobicContact CD2-CG1 4.1Å; F503-I556 HydrophobicContact CE1-CG1 4.01Å; F503-I556 HydrophobicContact CE2-CG1 4.19Å; F503-I556 HydrophobicContact CG-CG1 3.96Å; F503-I556 HydrophobicContact CZ-CG1 4.14Å; F503-Y559 AromaticContact CE2-CD1 3.84Å; F503-Y559 HydrophobicContact CE2-CD1 3.84Å; F503-Y559 HydrophobicContact CE2-CG 4.02Å; F503-Y559 HydrophobicContact CZ-CD1 4.38Å; F503-Y559 HydrophobicContact CZ-CG 4.09Å
504	G	97.8	Very high	96.8	Very high	33 Å²	33	58 Å²	58	34%	0.34	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-40.5	176	0	0	0	0	0	113.1	M500 E501 K507 S508	M500-G504 PolarHBondContact O-N 2.95Å; E501-G504 PolarHBondContact O-N 3.4Å; E501-G504 VanDerWaalsContact O-N 3.11Å; G504-K507 PolarHBondContact O-N 3.11Å; G504-S508 PolarHBondContact O-N 3.01Å; G504-S508 PolarHBondContact O-OG 2.67Å
505	K	97.6	Very high	97.1	Very high	118 Å²	118	55.5 Å²	55.5	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-51.9	174.3	-177.1	-174.2	172.7	-159.1	0	111.4	E501 E502 F503 K507 S508 E509	E501-K505 PolarHBondContact O-N 3.34Å; E502-K505 PolarHBondContact O-N 3.19Å; F503-K505 VanDerWaalsContact C-N 3.35Å; F503-K505 PolarHBondContact O-N 3.17Å; K505-K507 VanDerWaalsContact C-N 3.27Å; K505-K507 PolarHBondContact O-N 3.21Å; K505-S508 WeakPolarHBondContact O-CA 3.41Å; K505-S508 WeakPolarHBondContact O-CB 3.22Å; K505-S508 PolarHBondContact O-N 2.63Å; K505-E509 WeakPolarHBondContact CE-OE1 3.48Å; K505-E509 IonicContact NZ-OE1 2.81Å; K505-E509 PolarHBondContact O-N 3.37Å
506	L	98.2	Very high	97.4	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-32.9	179.1	-73.1	169.1	0	0	0	112.7	E502 F503 S508 E509 V510 K526 E529 L530 L533	E502-L506 WeakPolarHBondContact O-CB 3.45Å; E502-L506 WeakPolarHBondContact O-CG 3.42Å; E502-L506 PolarHBondContact O-N 3.31Å; F503-L506 PolarHBondContact O-N 3.18Å; L506-S508 VanDerWaalsContact C-N 3.31Å; L506-S508 PolarHBondContact O-N 3.07Å; L506-E509 PolarHBondContact O-N 2.83Å; L506-V510 WeakPolarHBondContact O-CB 3.34Å; L506-V510 VanDerWaalsContact O-CG2 3.28Å; L506-V510 WeakPolarHBondContact O-CG2 3.42Å; L506-V510 PolarHBondContact O-N 3.29Å; L506-K526 HydrophobicContact CD2-CD 3.79Å; L506-E529 HydrophobicContact CD1-CB 4.35Å; L506-E529 HydrophobicContact CD2-CB 4.32Å; L506-L530 HydrophobicContact CB-CD2 3.93Å; L506-L530 HydrophobicContact CB-CG 4.29Å; L506-L530 HydrophobicContact CD1-CD2 3.45Å; L506-L530 VanDerWaalsContact CD1-CD2 3.45Å; L506-L530 HydrophobicContact CD1-CG 3.87Å; L506-L530 HydrophobicContact CG-CD2 4.33Å; L506-L533 HydrophobicContact CD1-CD1 3.54Å
507	K	97.9	Very high	97.6	Very high	93 Å²	93	55.2 Å²	55.2	40%	0.404	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-39	171.1	-75.2	-176.5	69.6	-174.5	0	112.5	F503 G504 K505 V510 H511 Y559	F503-K507 HydrophobicContact CD2-CD 4.26Å; F503-K507 HydrophobicContact CD2-CG 4Å; F503-K507 HydrophobicContact CE1-CD 4.37Å; F503-K507 HydrophobicContact CE2-CD 3.83Å; F503-K507 HydrophobicContact CE2-CG 3.71Å; F503-K507 HydrophobicContact CZ-CD 3.89Å; F503-K507 HydrophobicContact CZ-CG 4.29Å; F503-K507 WeakPolarHBondContact O-CG 3.37Å; F503-K507 PolarHBondContact O-N 3.05Å; G504-K507 PolarHBondContact O-N 3.11Å; K505-K507 VanDerWaalsContact C-N 3.27Å; K505-K507 PolarHBondContact O-N 3.21Å; K507-V510 PolarHBondContact O-N 3Å; K507-H511 PolarHBondContact O-N 3.43Å; K507-H511 VanDerWaalsContact O-N 3.08Å; K507-Y559 HydrophobicContact CD-CD2 4.35Å; K507-Y559 HydrophobicContact CD-CE2 4.22Å; K507-Y559 HydrophobicContact CG-CD1 4.36Å; K507-Y559 HydrophobicContact CG-CD2 4.37Å; K507-Y559 HydrophobicContact CG-CE1 3.93Å; K507-Y559 HydrophobicContact CG-CE2 3.94Å
508	S	96.8	Very high	97.7	Very high	66 Å²	66	51.1 Å²	51.1	46%	0.462	26%	0.256	S	S	.	.	H	α-helix	trans	-69.2	-43.5	178.2	-51.9	0	0	0	0	110.6	G504 K505 L506 V510 H511 E512	G504-S508 PolarHBondContact O-N 3.01Å; G504-S508 PolarHBondContact O-OG 2.67Å; K505-S508 WeakPolarHBondContact O-CA 3.41Å; K505-S508 WeakPolarHBondContact O-CB 3.22Å; K505-S508 PolarHBondContact O-N 2.63Å; L506-S508 VanDerWaalsContact C-N 3.31Å; L506-S508 PolarHBondContact O-N 3.07Å; S508-V510 VanDerWaalsContact C-N 3.32Å; S508-V510 PolarHBondContact O-N 2.98Å; S508-H511 WeakPolarHBondContact O-CB 3.38Å; S508-H511 PolarHBondContact O-N 3.16Å; S508-H511 VanDerWaalsContact O-N 3.09Å; S508-E512 WeakPolarHBondContact O-CG 3.49Å; S508-E512 PolarHBondContact O-N 3.18Å
509	E	98	Very high	97.8	Very high	44 Å²	44	46.1 Å²	46.1	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-36.9	174.5	-66.5	179.4	-171.2	0	0	112.4	K505 L506 E512 A513 K526	K505-E509 WeakPolarHBondContact CE-OE1 3.48Å; K505-E509 IonicContact NZ-OE1 2.81Å; K505-E509 PolarHBondContact O-N 3.37Å; L506-E509 PolarHBondContact O-N 2.83Å; E509-E512 PolarHBondContact O-N 3.29Å; E509-A513 WeakPolarHBondContact O-CB 3.29Å; E509-A513 PolarHBondContact O-N 2.95Å; E509-K526 WeakPolarHBondContact OE2-CD 3.25Å; E509-K526 WeakPolarHBondContact OE2-CE 3.5Å; E509-K526 IonicContact OE2-NZ 3.92Å; E509-K526 PolarHBondContact OE2-NZ 3.28Å
510	V	98.6	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-40.7	172.6	164.9	0	0	0	0	111.4	L506 K507 S508 A513 L514 V523 K526 Y559 L563	L506-V510 WeakPolarHBondContact O-CB 3.34Å; L506-V510 VanDerWaalsContact O-CG2 3.28Å; L506-V510 WeakPolarHBondContact O-CG2 3.42Å; L506-V510 PolarHBondContact O-N 3.29Å; K507-V510 PolarHBondContact O-N 3Å; S508-V510 VanDerWaalsContact C-N 3.32Å; S508-V510 PolarHBondContact O-N 2.98Å; V510-A513 PolarHBondContact O-N 3.07Å; V510-L514 HydrophobicContact CG1-CD1 4.17Å; V510-L514 WeakPolarHBondContact O-CG 3.35Å; V510-L514 PolarHBondContact O-N 3.13Å; V510-V523 HydrophobicContact CG1-CG1 3.96Å; V510-V523 HydrophobicContact CG1-CG2 4.07Å; V510-V523 HydrophobicContact CG2-CG1 4.32Å; V510-K526 HydrophobicContact CG2-CB 3.62Å; V510-K526 HydrophobicContact CG2-CG 4.07Å; V510-Y559 WeakPolarHBondContact CB-OH 3.15Å; V510-Y559 WeakPolarHBondContact CG1-OH 3.48Å; V510-L563 HydrophobicContact CG1-CD1 3.73Å
511	H	98.1	Very high	97.9	Very high	57 Å²	57	47.5 Å²	47.5	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-45	175.7	-178	66	0	0	0	111.5	Y84 K507 S508 A513 L514 C515	Y84-H511 AromaticContact CE1-ND1 3.52Å; Y84-H511 AromaticContact CZ-ND1 3.6Å; Y84-H511 WeakPolarHBondContact OH-CA 3.44Å; Y84-H511 WeakPolarHBondContact OH-CB 3.45Å; Y84-H511 PolarHBondContact OH-ND1 3.11Å; K507-H511 PolarHBondContact O-N 3.43Å; K507-H511 VanDerWaalsContact O-N 3.08Å; S508-H511 WeakPolarHBondContact O-CB 3.38Å; S508-H511 PolarHBondContact O-N 3.16Å; S508-H511 VanDerWaalsContact O-N 3.09Å; H511-A513 PolarHBondContact O-N 2.94Å; H511-L514 PolarHBondContact O-N 3Å; H511-C515 WeakPolarHBondContact O-CB 3.44Å; H511-C515 PolarHBondContact O-N 3.17Å; H511-C515 PolarHBondContact O-SG 3.35Å
512	E	97.9	Very high	97.9	Very high	105 Å²	105	42.4 Å²	42.4	49%	0.491	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-45.4	175.5	-72.7	170.5	-171.4	0	0	111.9	P27 S508 E509 L514 C515 D516	P27-E512 HydrophobicContact CB-CG 4.44Å; P27-E512 HydrophobicContact CG-CG 3.69Å; S508-E512 WeakPolarHBondContact O-CG 3.49Å; S508-E512 PolarHBondContact O-N 3.18Å; E509-E512 PolarHBondContact O-N 3.29Å; E512-L514 PolarHBondContact O-N 3.11Å; E512-C515 WeakPolarHBondContact O-CB 3.48Å; E512-C515 PolarHBondContact O-N 2.85Å; E512-D516 PolarHBondContact O-N 2.88Å
513	A	98.3	Very high	98	Very high	11 Å²	11	39.1 Å²	39.1	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-40.5	176.1	0	0	0	0	0	112.5	E509 V510 H511 C515 D516 D519 V523	E509-A513 WeakPolarHBondContact O-CB 3.29Å; E509-A513 PolarHBondContact O-N 2.95Å; V510-A513 PolarHBondContact O-N 3.07Å; H511-A513 PolarHBondContact O-N 2.94Å; A513-C515 VanDerWaalsContact C-N 3.34Å; A513-D516 PolarHBondContact O-N 3.11Å; A513-D519 HydrophobicContact CB-CB 4.41Å; A513-D519 WeakPolarHBondContact O-CB 3.47Å; A513-D519 PolarHBondContact O-N 3.3Å; A513-V523 HydrophobicContact CB-CG2 3.95Å
514	L	98.4	Very high	98	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69	-33.5	176.3	-71.2	172.9	0	0	0	112.5	L29 V80 Y84 F85 V510 H511 E512 D516 V518 V523 L563 F567	L29-L514 WeakPolarHBondContact CD1-O 3.31Å; V80-L514 HydrophobicContact CG1-CD2 4.19Å; V80-L514 HydrophobicContact CG2-CD2 4.42Å; Y84-L514 HydrophobicContact CD1-CD1 3.93Å; Y84-L514 HydrophobicContact CD2-CD1 3.91Å; Y84-L514 HydrophobicContact CE1-CB 4.1Å; Y84-L514 HydrophobicContact CE1-CD1 3.64Å; Y84-L514 HydrophobicContact CE2-CD1 3.62Å; Y84-L514 HydrophobicContact CG-CD1 4.05Å; Y84-L514 VanDerWaalsContact CZ-CD1 3.47Å; F85-L514 HydrophobicContact CE2-CB 4.44Å; F85-L514 HydrophobicContact CZ-CB 4.13Å; V510-L514 HydrophobicContact CG1-CD1 4.17Å; V510-L514 WeakPolarHBondContact O-CG 3.35Å; V510-L514 PolarHBondContact O-N 3.13Å; H511-L514 PolarHBondContact O-N 3Å; E512-L514 PolarHBondContact O-N 3.11Å; L514-D516 VanDerWaalsContact C-N 3.28Å; L514-V518 HydrophobicContact CD2-CG1 4.15Å; L514-V518 WeakPolarHBondContact O-CA 3.46Å; L514-V518 PolarHBondContact O-N 3.43Å; L514-V523 HydrophobicContact CD2-CG2 3.96Å; L514-V523 HydrophobicContact CG-CG2 3.88Å; L514-L563 HydrophobicContact CD1-CD2 4.21Å; L514-F567 HydrophobicContact CD2-CE1 4.04Å; L514-F567 HydrophobicContact CD2-CZ 4.07Å
515	C	98.4	Very high	98	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.034	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-26.8	172.1	-76.6	0	0	0	0	112.5	P27 Q28 T30 H511 E512 A513 S517	P27-C515 HydrophobicContact CB-CB 3.91Å; Q28-C515 WeakPolarHBondContact O-CB 3.25Å; T30-C515 PolarHBondContact N-O 2.93Å; T30-C515 PolarHBondContact OG1-O 3.49Å; T30-C515 VanDerWaalsContact OG1-O 3.05Å; H511-C515 WeakPolarHBondContact O-CB 3.44Å; H511-C515 PolarHBondContact O-N 3.17Å; H511-C515 PolarHBondContact O-SG 3.35Å; E512-C515 WeakPolarHBondContact O-CB 3.48Å; E512-C515 PolarHBondContact O-N 2.85Å; A513-C515 VanDerWaalsContact C-N 3.34Å; C515-S517 PolarHBondContact O-N 2.98Å; C515-S517 VanDerWaalsContact O-N 3.13Å
516	D	97.7	Very high	98	Very high	62 Å²	62	36.7 Å²	36.7	33%	0.332	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-86.8	71.4	178.9	-171.3	28.2	0	0	0	112.4	K39 E512 A513 L514 V518 D519	K39-D516 WeakPolarHBondContact CD-OD1 3.36Å; K39-D516 WeakPolarHBondContact CE-OD1 3.3Å; K39-D516 IonicContact NZ-OD1 2.71Å; K39-D516 PolarHBondContact NZ-OD1 3.25Å; K39-D516 IonicContact NZ-OD2 3.14Å; K39-D516 PolarHBondContact NZ-OD2 3.4Å; E512-D516 PolarHBondContact O-N 2.88Å; A513-D516 PolarHBondContact O-N 3.11Å; L514-D516 VanDerWaalsContact C-N 3.28Å; D516-V518 PolarHBondContact O-N 2.91Å; D516-D519 PolarHBondContact O-N 2.99Å
517	S	97.2	Very high	98	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.035	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	35.3	179.5	-169.1	0	0	0	0	113.9	T30 Y32 W445 C515	T30-S517 WeakPolarHBondContact O-CA 3.33Å; T30-S517 PolarHBondContact O-N 3.07Å; Y32-S517 PolarHBondContact N-OG 3.32Å; W445-S517 PolarHBondContact NE1-O 2.91Å; C515-S517 PolarHBondContact O-N 2.98Å; C515-S517 VanDerWaalsContact O-N 3.13Å
518	V	98.1	Very high	98	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.177	C	C	.	.			trans	54.7	55.7	179.3	-168.3	0	0	0	0	111	L29 L77 V80 F81 L514 D516 T520	L29-V518 HydrophobicContact CD1-CG2 4.24Å; L77-V518 HydrophobicContact CD2-CB 3.55Å; L77-V518 HydrophobicContact CD2-CG1 3.74Å; L77-V518 HydrophobicContact CD2-CG2 3.85Å; V80-V518 HydrophobicContact CB-CG1 3.95Å; V80-V518 HydrophobicContact CG1-CG1 3.81Å; V80-V518 HydrophobicContact CG1-CG2 4.09Å; V80-V518 HydrophobicContact CG2-CG1 3.82Å; F81-V518 HydrophobicContact CE2-CG2 4Å; L514-V518 HydrophobicContact CD2-CG1 4.15Å; L514-V518 WeakPolarHBondContact O-CA 3.46Å; L514-V518 PolarHBondContact O-N 3.43Å; D516-V518 PolarHBondContact O-N 2.91Å; V518-T520 VanDerWaalsContact C-N 3.28Å; V518-T520 HydrophobicContact CG1-CG2 4.07Å; V518-T520 PolarHBondContact O-N 3.04Å
519	D	98.2	Very high	98.1	Very high	29 Å²	29	37 Å²	37	16%	0.155	17%	0.173	C	C	.	.			trans	-72.3	81.9	178.7	-170.2	-13.2	0	0	0	111.4	A513 D516 R521 S522 V523	A513-D519 HydrophobicContact CB-CB 4.41Å; A513-D519 WeakPolarHBondContact O-CB 3.47Å; A513-D519 PolarHBondContact O-N 3.3Å; D516-D519 PolarHBondContact O-N 2.99Å; D519-R521 PolarHBondContact O-N 3.36Å; D519-R521 WeakPolarHBondContact OD1-CB 3.19Å; D519-R521 PolarHBondContact OD1-N 3.22Å; D519-R521 VanDerWaalsContact OD1-N 3.08Å; D519-S522 PolarHBondContact OD1-N 3.44Å; D519-S522 PolarHBondContact OD2-OG 2.86Å; D519-V523 WeakPolarHBondContact O-CG2 3.48Å; D519-V523 PolarHBondContact O-N 3.02Å
520	T	98.1	Very high	98.1	Very high	7 Å²	7	35 Å²	35	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-26	177.7	58.6	0	0	0	0	112.5	I76 L441 V518 V523 I524 F567	I76-T520 HydrophobicContact CG2-CG2 3.95Å; L441-T520 HydrophobicContact CD2-CG2 3.73Å; L441-T520 CarbonylContact O-C 3.53Å; L441-T520 WeakPolarHBondContact O-CB 3.42Å; L441-T520 PolarHBondContact O-OG1 3.02Å; V518-T520 VanDerWaalsContact C-N 3.28Å; V518-T520 HydrophobicContact CG1-CG2 4.07Å; V518-T520 PolarHBondContact O-N 3.04Å; T520-V523 WeakPolarHBondContact O-CB 3.48Å; T520-V523 PolarHBondContact O-N 3.34Å; T520-I524 WeakPolarHBondContact O-CG1 3.4Å; T520-I524 PolarHBondContact O-N 2.8Å; T520-F567 HydrophobicContact CG2-CE1 4.1Å; T520-F567 HydrophobicContact CG2-CZ 4.29Å
521	R	97.3	Very high	98.1	Very high	128 Å²	128	35 Å²	35	48%	0.483	16%	0.164	S	C	.	.	H	α-helix	trans	-63.9	-50.6	-179.7	170.9	-175.9	167.5	-172.6	-2.3	109.7	L441 M442 D519 V523 I524 E525	L441-R521 WeakPolarHBondContact O-CA 3.41Å; L441-R521 PolarHBondContact O-N 3.42Å; M442-R521 WeakPolarHBondContact O-CG 3.47Å; D519-R521 PolarHBondContact O-N 3.36Å; D519-R521 WeakPolarHBondContact OD1-CB 3.19Å; D519-R521 PolarHBondContact OD1-N 3.22Å; D519-R521 VanDerWaalsContact OD1-N 3.08Å; R521-V523 VanDerWaalsContact C-N 3.27Å; R521-V523 PolarHBondContact O-N 2.91Å; R521-I524 PolarHBondContact O-N 3.33Å; R521-E525 IonicContact CZ-OE1 3.23Å; R521-E525 IonicContact NE-OE1 3.6Å; R521-E525 PolarHBondContact NE-OE1 2.96Å; R521-E525 IonicContact NH2-OE1 2.68Å; R521-E525 PolarHBondContact O-N 2.73Å
522	S	98.3	Very high	98.1	Very high	34 Å²	34	36 Å²	36	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-37.1	175.8	-73.3	0	0	0	0	111.7	D519 I524 E525 K526	D519-S522 PolarHBondContact OD1-N 3.44Å; D519-S522 PolarHBondContact OD2-OG 2.86Å; S522-I524 PolarHBondContact O-N 3.23Å; S522-E525 WeakPolarHBondContact O-CB 3.31Å; S522-E525 PolarHBondContact O-N 2.85Å; S522-K526 WeakPolarHBondContact O-CG 3.39Å; S522-K526 PolarHBondContact O-N 3.45Å
523	V	98.6	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-43.9	174	177.6	0	0	0	0	112.2	V510 A513 L514 D519 T520 R521 E525 K526 F527 F567	V510-V523 HydrophobicContact CG1-CG1 3.96Å; V510-V523 HydrophobicContact CG1-CG2 4.07Å; V510-V523 HydrophobicContact CG2-CG1 4.32Å; A513-V523 HydrophobicContact CB-CG2 3.95Å; L514-V523 HydrophobicContact CD2-CG2 3.96Å; L514-V523 HydrophobicContact CG-CG2 3.88Å; D519-V523 WeakPolarHBondContact O-CG2 3.48Å; D519-V523 PolarHBondContact O-N 3.02Å; T520-V523 WeakPolarHBondContact O-CB 3.48Å; T520-V523 PolarHBondContact O-N 3.34Å; R521-V523 VanDerWaalsContact C-N 3.27Å; R521-V523 PolarHBondContact O-N 2.91Å; V523-E525 VanDerWaalsContact C-N 3.31Å; V523-E525 PolarHBondContact O-N 2.91Å; V523-K526 PolarHBondContact O-N 2.95Å; V523-F527 HydrophobicContact CG1-CD1 4.25Å; V523-F527 HydrophobicContact CG1-CE1 3.59Å; V523-F527 HydrophobicContact CG1-CE2 3.98Å; V523-F527 HydrophobicContact CG1-CZ 3.4Å; V523-F527 VanDerWaalsContact CG1-CZ 3.4Å; V523-F527 WeakPolarHBondContact O-CD1 3.35Å; V523-F527 WeakPolarHBondContact O-CG 3.44Å; V523-F527 PolarHBondContact O-N 3.01Å; V523-F567 HydrophobicContact CB-CZ 4.4Å; V523-F567 HydrophobicContact CG1-CE2 3.84Å; V523-F567 HydrophobicContact CG1-CZ 3.89Å
524	I	98.3	Very high	98	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-36.3	176.6	-63.7	-56.7	0	0	0	111.5	L441 M442 F462 T520 R521 S522 F527 R528 L564	L441-I524 HydrophobicContact CB-CD1 4.26Å; L441-I524 HydrophobicContact CB-CG1 4.02Å; M442-I524 HydrophobicContact CG-CB 4.36Å; M442-I524 HydrophobicContact CG-CG1 4.34Å; M442-I524 HydrophobicContact CG-CG2 3.8Å; F462-I524 HydrophobicContact CD1-CG2 4.08Å; F462-I524 HydrophobicContact CD2-CG2 4Å; F462-I524 HydrophobicContact CE1-CD1 3.85Å; F462-I524 HydrophobicContact CE1-CG2 3.88Å; F462-I524 HydrophobicContact CE2-CG2 3.77Å; F462-I524 HydrophobicContact CG-CG2 4.14Å; F462-I524 HydrophobicContact CZ-CD1 4.02Å; F462-I524 HydrophobicContact CZ-CG2 3.71Å; T520-I524 WeakPolarHBondContact O-CG1 3.4Å; T520-I524 PolarHBondContact O-N 2.8Å; R521-I524 PolarHBondContact O-N 3.33Å; S522-I524 PolarHBondContact O-N 3.23Å; I524-F527 HydrophobicContact CD1-CD2 3.91Å; I524-F527 HydrophobicContact CD1-CE2 4.17Å; I524-F527 PolarHBondContact O-N 3.46Å; I524-R528 PolarHBondContact O-N 3.36Å; I524-R528 VanDerWaalsContact O-N 3.11Å; I524-L564 HydrophobicContact CD1-CD2 4.48Å
525	E	97.9	Very high	97.9	Very high	75 Å²	75	35.8 Å²	35.8	35%	0.35	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-44.6	172.5	-68.2	171.3	-179	0	0	110.9	R521 S522 V523 F527 R528 E529	R521-E525 IonicContact CZ-OE1 3.23Å; R521-E525 IonicContact NE-OE1 3.6Å; R521-E525 PolarHBondContact NE-OE1 2.96Å; R521-E525 IonicContact NH2-OE1 2.68Å; R521-E525 PolarHBondContact O-N 2.73Å; S522-E525 WeakPolarHBondContact O-CB 3.31Å; S522-E525 PolarHBondContact O-N 2.85Å; V523-E525 VanDerWaalsContact C-N 3.31Å; V523-E525 PolarHBondContact O-N 2.91Å; E525-F527 VanDerWaalsContact C-N 3.33Å; E525-F527 PolarHBondContact O-N 3.01Å; E525-R528 WeakPolarHBondContact O-CB 3.4Å; E525-R528 PolarHBondContact O-N 3.38Å; E525-R528 VanDerWaalsContact O-N 3.11Å; E525-E529 PolarHBondContact O-N 3.32Å; E525-E529 VanDerWaalsContact O-N 3.08Å
526	K	98.4	Very high	97.8	Very high	42 Å²	42	38.3 Å²	38.3	18%	0.183	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-32.4	174.4	-59.5	-47.2	172.7	173.9	0	113.6	L506 E509 V510 S522 V523 E529 L530	L506-K526 HydrophobicContact CD2-CD 3.79Å; E509-K526 WeakPolarHBondContact OE2-CD 3.25Å; E509-K526 WeakPolarHBondContact OE2-CE 3.5Å; E509-K526 IonicContact OE2-NZ 3.92Å; E509-K526 PolarHBondContact OE2-NZ 3.28Å; V510-K526 HydrophobicContact CG2-CB 3.62Å; V510-K526 HydrophobicContact CG2-CG 4.07Å; S522-K526 WeakPolarHBondContact O-CG 3.39Å; S522-K526 PolarHBondContact O-N 3.45Å; V523-K526 PolarHBondContact O-N 2.95Å; K526-E529 WeakPolarHBondContact CD-OE1 3.45Å; K526-E529 IonicContact NZ-OE1 2.66Å; K526-E529 PolarHBondContact NZ-OE1 2.64Å; K526-E529 IonicContact NZ-OE2 3.85Å; K526-E529 PolarHBondContact O-N 2.87Å; K526-L530 WeakPolarHBondContact O-CG 3.33Å; K526-L530 PolarHBondContact O-N 2.94Å
527	F	98.3	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-40.5	171.5	-68.8	-6.5	0	0	0	112.1	F462 V523 I524 E525 E529 L530 I531 Y559 I560 L563 L564 F567	F462-F527 HydrophobicContact CE2-CB 4.26Å; F462-F527 HydrophobicContact CZ-CB 4.09Å; F462-F527 HydrophobicContact CZ-CD2 4.2Å; V523-F527 HydrophobicContact CG1-CD1 4.25Å; V523-F527 HydrophobicContact CG1-CE1 3.59Å; V523-F527 HydrophobicContact CG1-CE2 3.98Å; V523-F527 HydrophobicContact CG1-CZ 3.4Å; V523-F527 VanDerWaalsContact CG1-CZ 3.4Å; V523-F527 WeakPolarHBondContact O-CD1 3.35Å; V523-F527 WeakPolarHBondContact O-CG 3.44Å; V523-F527 PolarHBondContact O-N 3.01Å; I524-F527 HydrophobicContact CD1-CD2 3.91Å; I524-F527 HydrophobicContact CD1-CE2 4.17Å; I524-F527 PolarHBondContact O-N 3.46Å; E525-F527 VanDerWaalsContact C-N 3.33Å; E525-F527 PolarHBondContact O-N 3.01Å; F527-E529 VanDerWaalsContact C-N 3.32Å; F527-E529 PolarHBondContact O-N 2.67Å; F527-L530 HydrophobicContact CD1-CD1 4.42Å; F527-L530 PolarHBondContact O-N 3.21Å; F527-I531 WeakPolarHBondContact O-CB 3.44Å; F527-I531 WeakPolarHBondContact O-CD1 3.43Å; F527-I531 VanDerWaalsContact O-CG1 3.23Å; F527-I531 WeakPolarHBondContact O-CG1 3.31Å; F527-I531 PolarHBondContact O-N 3.38Å; F527-Y559 HydrophobicContact CE1-CE1 4.37Å; F527-I560 HydrophobicContact CB-CG2 4.48Å; F527-I560 HydrophobicContact CD1-CG1 4.14Å; F527-I560 HydrophobicContact CD1-CG2 4.48Å; F527-I560 HydrophobicContact CD2-CG2 3.89Å; F527-I560 HydrophobicContact CE2-CG2 4.22Å; F527-I560 HydrophobicContact CG-CG1 4.36Å; F527-I560 HydrophobicContact CG-CG2 4.04Å; F527-L563 HydrophobicContact CE1-CB 4.35Å; F527-L563 HydrophobicContact CE1-CD1 3.6Å; F527-L563 HydrophobicContact CE2-CB 4.26Å; F527-L563 HydrophobicContact CZ-CB 3.48Å; F527-L563 VanDerWaalsContact CZ-CB 3.48Å; F527-L563 HydrophobicContact CZ-CD1 3.54Å; F527-L563 HydrophobicContact CZ-CG 4.15Å; F527-L564 HydrophobicContact CD2-CD2 4.44Å; F527-L564 HydrophobicContact CE2-CD2 4.07Å; F527-L564 HydrophobicContact CE2-CG 4.11Å; F527-F567 HydrophobicContact CE2-CE2 4.15Å; F527-F567 HydrophobicContact CZ-CE2 4.23Å
528	R	97.9	Very high	97.6	Very high	89 Å²	89	35.6 Å²	35.6	34%	0.336	18%	0.183	S	C	.	.	H	α-helix	trans	-61.5	-43.3	174.8	-68.6	172	170.3	-179.2	-9.1	111.1	F462 I524 E525 I531 S532	F462-R528 HydrophobicContact CD2-CG 3.72Å; F462-R528 HydrophobicContact CE2-CG 3.71Å; I524-R528 PolarHBondContact O-N 3.36Å; I524-R528 VanDerWaalsContact O-N 3.11Å; E525-R528 WeakPolarHBondContact O-CB 3.4Å; E525-R528 PolarHBondContact O-N 3.38Å; E525-R528 VanDerWaalsContact O-N 3.11Å; R528-I531 PolarHBondContact O-N 3.49Å; R528-S532 WeakPolarHBondContact O-CB 3.13Å; R528-S532 PolarHBondContact O-N 3.2Å; R528-S532 PolarHBondContact O-OG 3.11Å
529	E	98.2	Very high	97.4	Very high	82 Å²	82	38.4 Å²	38.4	38%	0.383	20%	0.2	S	C	.	.	H	α-helix	trans	-59.1	-47	174.9	-66.5	-179	-132.3	0	0	111.6	L506 E525 K526 F527 I531 S532 L533	L506-E529 HydrophobicContact CD1-CB 4.35Å; L506-E529 HydrophobicContact CD2-CB 4.32Å; E525-E529 PolarHBondContact O-N 3.32Å; E525-E529 VanDerWaalsContact O-N 3.08Å; K526-E529 WeakPolarHBondContact CD-OE1 3.45Å; K526-E529 IonicContact NZ-OE1 2.66Å; K526-E529 PolarHBondContact NZ-OE1 2.64Å; K526-E529 IonicContact NZ-OE2 3.85Å; K526-E529 PolarHBondContact O-N 2.87Å; F527-E529 VanDerWaalsContact C-N 3.32Å; F527-E529 PolarHBondContact O-N 2.67Å; E529-I531 PolarHBondContact O-N 3.05Å; E529-S532 PolarHBondContact O-N 2.88Å; E529-L533 WeakPolarHBondContact O-CG 3.36Å; E529-L533 PolarHBondContact O-N 3.29Å
530	L	98.1	Very high	97.1	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-44.2	176.3	-74.8	173.8	0	0	0	112.9	F503 L506 K526 F527 S532 L533 G534 I556 Y559 I560	F503-L530 HydrophobicContact CD2-CD2 3.58Å; F503-L530 HydrophobicContact CE2-CD1 4.41Å; F503-L530 HydrophobicContact CE2-CD2 4.21Å; F503-L530 HydrophobicContact CG-CD2 4.49Å; L506-L530 HydrophobicContact CB-CD2 3.93Å; L506-L530 HydrophobicContact CB-CG 4.29Å; L506-L530 HydrophobicContact CD1-CD2 3.45Å; L506-L530 VanDerWaalsContact CD1-CD2 3.45Å; L506-L530 HydrophobicContact CD1-CG 3.87Å; L506-L530 HydrophobicContact CG-CD2 4.33Å; K526-L530 WeakPolarHBondContact O-CG 3.33Å; K526-L530 PolarHBondContact O-N 2.94Å; F527-L530 HydrophobicContact CD1-CD1 4.42Å; F527-L530 PolarHBondContact O-N 3.21Å; L530-S532 VanDerWaalsContact C-N 3.34Å; L530-L533 PolarHBondContact O-N 3.44Å; L530-G534 PolarHBondContact O-N 3.36Å; L530-I556 HydrophobicContact CB-CG2 4.16Å; L530-I556 HydrophobicContact CD2-CG2 4.48Å; L530-Y559 HydrophobicContact CD1-CD1 4.02Å; L530-Y559 HydrophobicContact CD1-CE1 4.15Å; L530-I560 HydrophobicContact CB-CD1 4.07Å; L530-I560 HydrophobicContact CD1-CD1 4.44Å; L530-I560 HydrophobicContact CD1-CG1 4.2Å
531	I	98.3	Very high	96.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177.2	-69.1	161.2	0	0	0	110.3	F462 I465 T466 F469 F527 R528 E529 G534 N535 I560	F462-I531 HydrophobicContact CE2-CD1 4.47Å; I465-I531 HydrophobicContact CG2-CG2 3.78Å; T466-I531 HydrophobicContact CG2-CD1 4.2Å; T466-I531 WeakPolarHBondContact OG1-CD1 3.45Å; F469-I531 HydrophobicContact CB-CG1 4.3Å; F469-I531 HydrophobicContact CB-CG2 3.69Å; F469-I531 HydrophobicContact CD1-CB 4.49Å; F469-I531 HydrophobicContact CD1-CG1 3.82Å; F469-I531 HydrophobicContact CD1-CG2 4.44Å; F469-I531 HydrophobicContact CD2-CG2 4.16Å; F469-I531 HydrophobicContact CE1-CG1 4.37Å; F469-I531 HydrophobicContact CG-CB 4.35Å; F469-I531 HydrophobicContact CG-CG1 4.08Å; F469-I531 HydrophobicContact CG-CG2 3.84Å; F527-I531 WeakPolarHBondContact O-CB 3.44Å; F527-I531 WeakPolarHBondContact O-CD1 3.43Å; F527-I531 VanDerWaalsContact O-CG1 3.23Å; F527-I531 WeakPolarHBondContact O-CG1 3.31Å; F527-I531 PolarHBondContact O-N 3.38Å; R528-I531 PolarHBondContact O-N 3.49Å; E529-I531 PolarHBondContact O-N 3.05Å; I531-G534 PolarHBondContact O-N 3.2Å; I531-N535 WeakPolarHBondContact CG2-ND2 3.32Å; I531-N535 WeakPolarHBondContact O-CB 3.46Å; I531-N535 PolarHBondContact O-N 2.95Å; I531-N535 PolarHBondContact O-ND2 3.42Å; I531-N535 VanDerWaalsContact O-ND2 3.15Å; I531-I560 HydrophobicContact CD1-CD1 4.45Å; I531-I560 HydrophobicContact CG1-CD1 3.86Å
532	S	97.9	Very high	96.5	Very high	78 Å²	78	37.1 Å²	37.1	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-62.3	-44	176.7	-73.4	0	0	0	0	112.2	R528 E529 L530 N535 A536	R528-S532 WeakPolarHBondContact O-CB 3.13Å; R528-S532 PolarHBondContact O-N 3.2Å; R528-S532 PolarHBondContact O-OG 3.11Å; E529-S532 PolarHBondContact O-N 2.88Å; L530-S532 VanDerWaalsContact C-N 3.34Å; S532-N535 PolarHBondContact O-N 3.22Å; S532-A536 VanDerWaalsContact O-CB 3.29Å; S532-A536 WeakPolarHBondContact O-CB 3.42Å; S532-A536 PolarHBondContact O-N 2.92Å
533	L	97.1	Very high	96.1	Very high	60 Å²	60	43.7 Å²	43.7	31%	0.314	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-46.2	175.8	-73.3	173.5	0	0	0	111.9	L499 E502 L506 E529 L530 A536 Y537	L499-L533 HydrophobicContact CD1-CB 3.97Å; E502-L533 HydrophobicContact CB-CD1 4.21Å; L506-L533 HydrophobicContact CD1-CD1 3.54Å; E529-L533 WeakPolarHBondContact O-CG 3.36Å; E529-L533 PolarHBondContact O-N 3.29Å; L530-L533 PolarHBondContact O-N 3.44Å; L533-A536 PolarHBondContact O-N 3.16Å; L533-Y537 WeakPolarHBondContact O-CB 3.37Å; L533-Y537 PolarHBondContact O-N 2.81Å
534	G	97.1	Very high	95.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-45.7	177.2	0	0	0	0	0	112.4	L530 I531 Y537 I538	L530-G534 PolarHBondContact O-N 3.36Å; I531-G534 PolarHBondContact O-N 3.2Å; G534-Y537 PolarHBondContact O-N 3.44Å; G534-I538 VanDerWaalsContact O-CG1 3.28Å; G534-I538 WeakPolarHBondContact O-CG1 3.43Å; G534-I538 PolarHBondContact O-N 3.04Å
535	N	96.7	Very high	95.2	Very high	51 Å²	51	51.2 Å²	51.2	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-42.2	177	-78.5	-38.8	0	0	0	112.5	I531 S532 Y537 I538 V539	I531-N535 WeakPolarHBondContact CG2-ND2 3.32Å; I531-N535 WeakPolarHBondContact O-CB 3.46Å; I531-N535 PolarHBondContact O-N 2.95Å; I531-N535 PolarHBondContact O-ND2 3.42Å; I531-N535 VanDerWaalsContact O-ND2 3.15Å; S532-N535 PolarHBondContact O-N 3.22Å; N535-Y537 VanDerWaalsContact C-N 3.35Å; N535-I538 PolarHBondContact O-N 2.57Å; N535-V539 WeakPolarHBondContact O-CG2 3.31Å; N535-V539 PolarHBondContact O-N 3.39Å
536	A	96.3	Very high	94.7	Very high	57 Å²	57	53.3 Å²	53.3	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-44.8	176.5	0	0	0	0	0	111.2	S532 L533 I538 V539 E540	S532-A536 VanDerWaalsContact O-CB 3.29Å; S532-A536 WeakPolarHBondContact O-CB 3.42Å; S532-A536 PolarHBondContact O-N 2.92Å; L533-A536 PolarHBondContact O-N 3.16Å; A536-I538 PolarHBondContact O-N 3.11Å; A536-V539 PolarHBondContact O-N 2.86Å; A536-E540 WeakPolarHBondContact O-CB 3.16Å; A536-E540 PolarHBondContact O-N 2.92Å
537	Y	96.4	Very high	94.3	Very high	11 Å²	11	54 Å²	54	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-44	175.9	174.1	-110	0	0	0	112.5	E496 L499 L533 G534 N535 E540 K541 P548 N549 L553	E496-Y537 HydrophobicContact CG-CE2 4.36Å; E496-Y537 WeakPolarHBondContact CG-OH 3.48Å; E496-Y537 WeakPolarHBondContact OE1-CE2 3.49Å; E496-Y537 PolarHBondContact OE1-OH 3.48Å; L499-Y537 HydrophobicContact CD2-CD1 3.8Å; L499-Y537 HydrophobicContact CD2-CD2 4.04Å; L499-Y537 HydrophobicContact CD2-CE1 4.37Å; L499-Y537 HydrophobicContact CD2-CG 3.62Å; L533-Y537 WeakPolarHBondContact O-CB 3.37Å; L533-Y537 PolarHBondContact O-N 2.81Å; G534-Y537 PolarHBondContact O-N 3.44Å; N535-Y537 VanDerWaalsContact C-N 3.35Å; Y537-E540 PolarHBondContact O-N 3.08Å; Y537-K541 HydrophobicContact CD2-CG 4.17Å; Y537-K541 HydrophobicContact CE1-CG 4.41Å; Y537-K541 HydrophobicContact CE2-CD 4.21Å; Y537-K541 HydrophobicContact CE2-CG 3.75Å; Y537-K541 WeakPolarHBondContact O-CG 3.36Å; Y537-K541 PolarHBondContact O-N 2.73Å; Y537-P548 HydrophobicContact CD1-CB 4.1Å; Y537-P548 HydrophobicContact CE1-CB 3.53Å; Y537-N549 WeakPolarHBondContact OH-CB 3.21Å; Y537-N549 PolarHBondContact OH-N 3.21Å; Y537-L553 HydrophobicContact CD1-CD2 4.05Å; Y537-L553 HydrophobicContact CD1-CG 4.31Å; Y537-L553 HydrophobicContact CE1-CG 4.4Å
538	I	94.4	Very high	94	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-52.5	175.7	-70.2	164.8	0	0	0	110.5	L472 F476 G534 N535 A536 E540 K541 E542 P548 L553	L472-I538 HydrophobicContact CD2-CD1 3.66Å; L472-I538 HydrophobicContact CD2-CG2 4.25Å; L472-I538 HydrophobicContact CG-CD1 4.06Å; F476-I538 HydrophobicContact CD2-CD1 4.45Å; F476-I538 HydrophobicContact CE2-CD1 4.3Å; F476-I538 HydrophobicContact CE2-CG1 4.31Å; F476-I538 HydrophobicContact CE2-CG2 3.5Å; F476-I538 VanDerWaalsContact CE2-CG2 3.5Å; F476-I538 HydrophobicContact CZ-CG2 3.72Å; G534-I538 VanDerWaalsContact O-CG1 3.28Å; G534-I538 WeakPolarHBondContact O-CG1 3.43Å; G534-I538 PolarHBondContact O-N 3.04Å; N535-I538 PolarHBondContact O-N 2.57Å; A536-I538 PolarHBondContact O-N 3.11Å; I538-E540 VanDerWaalsContact C-N 3.28Å; I538-E540 PolarHBondContact O-N 3.12Å; I538-K541 PolarHBondContact O-N 2.92Å; I538-E542 HydrophobicContact CG2-CG 4.4Å; I538-E542 WeakPolarHBondContact O-CB 3.38Å; I538-E542 WeakPolarHBondContact O-CG 3.3Å; I538-E542 PolarHBondContact O-N 2.95Å; I538-P548 HydrophobicContact CG1-CG 4.44Å; I538-L553 HydrophobicContact CD1-CD1 3.9Å; I538-L553 HydrophobicContact CD1-CD2 4.08Å; I538-L553 HydrophobicContact CG1-CD1 3.62Å; I538-L553 HydrophobicContact CG1-CD2 4.06Å
539	V	93.4	Very high	93.8	Very high	59 Å²	59	49.9 Å²	49.9	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-39.7	-178.1	169.4	0	0	0	0	111.3	N535 A536 K543	N535-V539 WeakPolarHBondContact O-CG2 3.31Å; N535-V539 PolarHBondContact O-N 3.39Å; A536-V539 PolarHBondContact O-N 2.86Å; V539-K543 HydrophobicContact CG1-CD 4.4Å; V539-K543 WeakPolarHBondContact O-CG 3.29Å; V539-K543 PolarHBondContact O-N 3.39Å; V539-K543 VanDerWaalsContact O-N 3.11Å
540	E	93.1	Very high	93.6	Very high	85 Å²	85	46.3 Å²	46.3	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-65.1	-46.7	178.2	-170.3	178.4	-179.5	0	0	111.8	K495 A536 Y537 I538 E542 K543 E544	K495-E540 VanDerWaalsContact CE-OE1 3.28Å; K495-E540 WeakPolarHBondContact CE-OE1 3.45Å; K495-E540 IonicContact NZ-OE1 2.83Å; K495-E540 PolarHBondContact NZ-OE1 3.35Å; A536-E540 WeakPolarHBondContact O-CB 3.16Å; A536-E540 PolarHBondContact O-N 2.92Å; Y537-E540 PolarHBondContact O-N 3.08Å; I538-E540 VanDerWaalsContact C-N 3.28Å; I538-E540 PolarHBondContact O-N 3.12Å; E540-E542 PolarHBondContact O-N 3.35Å; E540-K543 WeakPolarHBondContact O-CB 3.32Å; E540-K543 PolarHBondContact O-N 3.02Å; E540-E544 WeakPolarHBondContact O-CG 3.46Å; E540-E544 PolarHBondContact O-N 2.8Å; E540-E544 VanDerWaalsContact O-N 3.16Å
541	K	91.8	Very high	93.3	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-39.4	178.5	-71.6	-67.1	-178	172.8	0	112.9	E496 Y537 I538 K543 E544 G545 H546 P548	E496-K541 WeakPolarHBondContact OE1-CE 3.27Å; E496-K541 IonicContact OE1-NZ 3.21Å; E496-K541 PolarHBondContact OE1-NZ 3.19Å; Y537-K541 HydrophobicContact CD2-CG 4.17Å; Y537-K541 HydrophobicContact CE1-CG 4.41Å; Y537-K541 HydrophobicContact CE2-CD 4.21Å; Y537-K541 HydrophobicContact CE2-CG 3.75Å; Y537-K541 WeakPolarHBondContact O-CG 3.36Å; Y537-K541 PolarHBondContact O-N 2.73Å; I538-K541 PolarHBondContact O-N 2.92Å; K541-K543 VanDerWaalsContact C-N 3.34Å; K541-K543 PolarHBondContact O-N 3.13Å; K541-E544 CarbonylContact O-C 3.49Å; K541-E544 PolarHBondContact O-N 2.88Å; K541-E544 VanDerWaalsContact O-N 3.14Å; K541-G545 PolarHBondContact O-N 2.74Å; K541-H546 CarbonylContact C-O 3.55Å; K541-H546 VanDerWaalsContact C-O 3.3Å; K541-H546 HydrophobicContact CD-CB 4.37Å; K541-H546 PolarHBondContact O-N 2.73Å; K541-P548 HydrophobicContact CB-CB 4.11Å; K541-P548 HydrophobicContact CG-CB 4.19Å
542	E	90	Very high	93.1	Very high	43 Å²	43	48 Å²	48	20%	0.201	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-42.3	173.5	-76.6	-178.8	155.9	0	0	112.4	F476 I538 E540 E544 G545 R648	F476-E542 HydrophobicContact CZ-CG 4.46Å; I538-E542 HydrophobicContact CG2-CG 4.4Å; I538-E542 WeakPolarHBondContact O-CB 3.38Å; I538-E542 WeakPolarHBondContact O-CG 3.3Å; I538-E542 PolarHBondContact O-N 2.95Å; E540-E542 PolarHBondContact O-N 3.35Å; E542-E544 PolarHBondContact O-N 3.12Å; E542-G545 PolarHBondContact O-N 2.85Å; E542-R648 VanDerWaalsContact CD-NE 3.32Å; E542-R648 IonicContact OE1-CZ 3.65Å; E542-R648 IonicContact OE1-NE 2.68Å; E542-R648 PolarHBondContact OE1-NE 2.89Å; E542-R648 IonicContact OE1-NH2 2.64Å; E542-R648 PolarHBondContact OE1-NH2 3.01Å; E542-R648 IonicContact OE2-CZ 2.72Å; E542-R648 VanDerWaalsContact OE2-CZ 3.23Å; E542-R648 IonicContact OE2-NE 3.22Å; E542-R648 PolarHBondContact OE2-NE 2.98Å; E542-R648 IonicContact OE2-NH2 3.75Å; E542-R648 PolarHBondContact OE2-NH2 3.42Å
543	K	90.1	Very high	93	Very high	173 Å²	173	44.4 Å²	44.4	75%	0.752	25%	0.246	S	C	*	.	H	α-helix	trans	-62.6	-31.9	175.5	-75.5	174.6	-178.8	179.4	0	112.5	V539 E540 K541 G545	V539-K543 HydrophobicContact CG1-CD 4.4Å; V539-K543 WeakPolarHBondContact O-CG 3.29Å; V539-K543 PolarHBondContact O-N 3.39Å; V539-K543 VanDerWaalsContact O-N 3.11Å; E540-K543 WeakPolarHBondContact O-CB 3.32Å; E540-K543 PolarHBondContact O-N 3.02Å; K541-K543 VanDerWaalsContact C-N 3.34Å; K541-K543 PolarHBondContact O-N 3.13Å; K543-G545 PolarHBondContact O-N 3.19Å
544	E	90.7	Very high	92.9	Very high	87 Å²	87	44.4 Å²	44.4	41%	0.407	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.3	175.2	-65.1	-179.2	151.5	0	0	112.9	K495 E540 K541 E542 H546	K495-E544 IonicContact NZ-OE1 2.78Å; K495-E544 PolarHBondContact NZ-OE1 2.97Å; K495-E544 IonicContact NZ-OE2 3.96Å; K495-E544 PolarHBondContact NZ-OE2 2.91Å; E540-E544 WeakPolarHBondContact O-CG 3.46Å; E540-E544 PolarHBondContact O-N 2.8Å; E540-E544 VanDerWaalsContact O-N 3.16Å; K541-E544 CarbonylContact O-C 3.49Å; K541-E544 PolarHBondContact O-N 2.88Å; K541-E544 VanDerWaalsContact O-N 3.14Å; E542-E544 PolarHBondContact O-N 3.12Å; E544-H546 PolarHBondContact O-CE1 3.18Å; E544-H546 PolarHBondContact O-N 2.66Å; E544-H546 PolarHBondContact O-ND1 3.35Å
545	G	87.1	Confident	92.8	Very high	72 Å²	72	47.3 Å²	47.3	74%	0.742	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	19	-174.8	0	0	0	0	0	113.7	K541 E542 K543	K541-G545 PolarHBondContact O-N 2.74Å; E542-G545 PolarHBondContact O-N 2.85Å; K543-G545 PolarHBondContact O-N 3.19Å
546	H	88.4	Confident	92.9	Very high	119 Å²	119	45 Å²	45	55%	0.551	24%	0.244	S	C	*	.			trans	-108.5	148.7	-178.9	-70	82.5	0	0	0	111.2	K541 E544	K541-H546 CarbonylContact C-O 3.55Å; K541-H546 VanDerWaalsContact C-O 3.3Å; K541-H546 HydrophobicContact CD-CB 4.37Å; K541-H546 PolarHBondContact O-N 2.73Å; E544-H546 PolarHBondContact O-CE1 3.18Å; E544-H546 PolarHBondContact O-N 2.66Å; E544-H546 PolarHBondContact O-ND1 3.35Å
547	V	88.8	Confident	93	Very high	56 Å²	56	42.2 Å²	42.2	34%	0.339	22%	0.222	S	C	.	.			trans	-76	130.4	172.1	-179.4	0	0	0	0	108.7	H480	H480-V547 HydrophobicContact CB-CG1 3.69Å; H480-V547 VanDerWaalsContact CG-CG1 3.49Å
548	P	92.4	Very high	93	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	23%	0.225	C	C	.	.			trans	-66.1	153.4	175.4	27.7	-34.2	0	0	0	111.3	F476 Y537 I538 K541 C550 L553	F476-P548 HydrophobicContact CD1-CG 3.64Å; F476-P548 VanDerWaalsContact CE1-CD 3.5Å; F476-P548 HydrophobicContact CE1-CG 3.52Å; F476-P548 HydrophobicContact CE2-CG 4.42Å; F476-P548 HydrophobicContact CG-CG 4.18Å; F476-P548 HydrophobicContact CZ-CG 3.95Å; Y537-P548 HydrophobicContact CD1-CB 4.1Å; Y537-P548 HydrophobicContact CE1-CB 3.53Å; I538-P548 HydrophobicContact CG1-CG 4.44Å; K541-P548 HydrophobicContact CB-CB 4.11Å; K541-P548 HydrophobicContact CG-CB 4.19Å; P548-C550 PolarHBondContact O-N 3.45Å; P548-C550 PolarHBondContact O-SG 3.37Å; P548-C550 VanDerWaalsContact O-SG 3.32Å; P548-L553 HydrophobicContact CB-CD1 3.87Å; P548-L553 HydrophobicContact CG-CD1 3.98Å
549	N	93.4	Very high	93.1	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	23%	0.231	C	C	.	.			trans	-65.6	101.4	176.6	-170	-62.4	0	0	0	110.4	Q490 F492 E496 Y537 L551 L552 L553	Q490-N549 PolarHBondContact O-ND2 3.13Å; F492-N549 WeakPolarHBondContact CD1-ND2 3.44Å; F492-N549 VanDerWaalsContact CE1-ND2 3.32Å; F492-N549 WeakPolarHBondContact CE1-ND2 3.48Å; E496-N549 HydrophobicContact CG-CB 3.92Å; Y537-N549 WeakPolarHBondContact OH-CB 3.21Å; Y537-N549 PolarHBondContact OH-N 3.21Å; N549-L551 VanDerWaalsContact C-N 3.31Å; N549-L551 PolarHBondContact O-N 3.45Å; N549-L551 PolarHBondContact OD1-N 3.26Å; N549-L552 HydrophobicContact CB-CB 4.26Å; N549-L552 PolarHBondContact O-N 3.3Å; N549-L552 PolarHBondContact OD1-N 3.29Å; N549-L553 PolarHBondContact O-N 3.25Å
550	C	93.5	Very high	93.4	Very high	6 Å²	6	41 Å²	41	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-32.1	-172.9	-53.5	0	0	0	0	112.7	L477 Y481 P548 L553 R554	L477-C550 HydrophobicContact CD2-CB 3.82Å; Y481-C550 HydrophobicContact CD2-CB 4.21Å; Y481-C550 HydrophobicContact CG-CB 4.29Å; P548-C550 PolarHBondContact O-N 3.45Å; P548-C550 PolarHBondContact O-SG 3.37Å; P548-C550 VanDerWaalsContact O-SG 3.32Å; C550-L553 PolarHBondContact O-N 3.09Å; C550-R554 VanDerWaalsContact O-CB 3.3Å; C550-R554 WeakPolarHBondContact O-CB 3.2Å; C550-R554 PolarHBondContact O-N 3.14Å
551	L	92	Very high	93.6	Very high	35 Å²	35	36.9 Å²	36.9	18%	0.183	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-42.7	177.7	178.4	60.1	0	0	0	111.5	Y481 Y489 N549 R554 N555	Y481-L551 HydrophobicContact CE2-CB 4.11Å; Y481-L551 HydrophobicContact CE2-CD1 4.31Å; Y489-L551 HydrophobicContact CD1-CD2 3.91Å; Y489-L551 HydrophobicContact CE1-CD2 4.14Å; N549-L551 VanDerWaalsContact C-N 3.31Å; N549-L551 PolarHBondContact O-N 3.45Å; N549-L551 PolarHBondContact OD1-N 3.26Å; L551-R554 WeakPolarHBondContact O-CB 3.3Å; L551-R554 PolarHBondContact O-N 3.2Å; L551-N555 PolarHBondContact O-N 2.93Å; L551-N555 PolarHBondContact O-ND2 3.18Å; L551-N555 PolarHBondContact O-OD1 3.38Å
552	L	94.5	Very high	93.8	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-45.4	176.6	-178.2	54.1	0	0	0	111.4	F492 E496 L499 M500 N549 R554 N555 I556	F492-L552 HydrophobicContact CZ-CB 4.4Å; E496-L552 HydrophobicContact CB-CD2 4.19Å; E496-L552 HydrophobicContact CG-CD2 4.47Å; L499-L552 HydrophobicContact CB-CD2 4.03Å; L499-L552 HydrophobicContact CD2-CD2 3.66Å; L499-L552 HydrophobicContact CD2-CG 4.12Å; L499-L552 HydrophobicContact CG-CD2 3.87Å; L499-L552 HydrophobicContact CG-CG 4.39Å; M500-L552 HydrophobicContact CB-CD1 4.45Å; N549-L552 HydrophobicContact CB-CB 4.26Å; N549-L552 PolarHBondContact O-N 3.3Å; N549-L552 PolarHBondContact OD1-N 3.29Å; L552-R554 PolarHBondContact O-N 3.37Å; L552-N555 PolarHBondContact O-N 3.3Å; L552-I556 WeakPolarHBondContact O-CG1 3.39Å; L552-I556 PolarHBondContact O-N 3.08Å; L552-I556 VanDerWaalsContact O-N 3.15Å
553	L	96.1	Very high	94.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-42.4	175.6	-71.8	175.6	0	0	0	112.5	V473 Y537 I538 P548 N549 C550 N555 I556 A557	V473-L553 HydrophobicContact CG1-CB 4.2Å; V473-L553 HydrophobicContact CG2-CB 4.21Å; Y537-L553 HydrophobicContact CD1-CD2 4.05Å; Y537-L553 HydrophobicContact CD1-CG 4.31Å; Y537-L553 HydrophobicContact CE1-CG 4.4Å; I538-L553 HydrophobicContact CD1-CD1 3.9Å; I538-L553 HydrophobicContact CD1-CD2 4.08Å; I538-L553 HydrophobicContact CG1-CD1 3.62Å; I538-L553 HydrophobicContact CG1-CD2 4.06Å; P548-L553 HydrophobicContact CB-CD1 3.87Å; P548-L553 HydrophobicContact CG-CD1 3.98Å; N549-L553 PolarHBondContact O-N 3.25Å; C550-L553 PolarHBondContact O-N 3.09Å; L553-N555 VanDerWaalsContact C-N 3.34Å; L553-N555 PolarHBondContact O-N 3.21Å; L553-I556 PolarHBondContact O-N 3.46Å; L553-A557 WeakPolarHBondContact O-CB 3.44Å; L553-A557 PolarHBondContact O-N 3.37Å
554	R	95	Very high	94.5	Very high	61 Å²	61	30.4 Å²	30.4	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-55.7	-48.7	173.1	178.2	-174.2	160	-97	8.2	110.8	L477 C550 L551 L552 I556 A557 A558 E576 I577	L477-R554 HydrophobicContact CD1-CB 4.11Å; L477-R554 HydrophobicContact CD1-CG 4.22Å; L477-R554 HydrophobicContact CD2-CB 3.85Å; L477-R554 HydrophobicContact CD2-CG 4.43Å; C550-R554 VanDerWaalsContact O-CB 3.3Å; C550-R554 WeakPolarHBondContact O-CB 3.2Å; C550-R554 PolarHBondContact O-N 3.14Å; L551-R554 WeakPolarHBondContact O-CB 3.3Å; L551-R554 PolarHBondContact O-N 3.2Å; L552-R554 PolarHBondContact O-N 3.37Å; R554-I556 VanDerWaalsContact C-N 3.32Å; R554-I556 PolarHBondContact O-N 3.05Å; R554-A557 PolarHBondContact O-N 3.17Å; R554-A558 WeakPolarHBondContact O-CB 3.45Å; R554-A558 PolarHBondContact O-N 3.47Å; R554-E576 IonicContact CZ-OE1 3.22Å; R554-E576 IonicContact NE-OE1 3.22Å; R554-E576 PolarHBondContact NE-OE1 3.16Å; R554-E576 IonicContact NE-OE2 3.18Å; R554-E576 IonicContact NH2-OE1 2.77Å; R554-E576 PolarHBondContact NH2-OE1 2.68Å; R554-I577 HydrophobicContact CB-CD1 4.45Å; R554-I577 HydrophobicContact CG-CD1 3.94Å
555	N	95.4	Very high	94.7	Very high	61 Å²	61	27.2 Å²	27.2	33%	0.326	16%	0.155	S	C	.	.	H	α-helix	trans	-63.3	-38.1	-176.9	-68	-14.6	0	0	0	112.1	F503 L551 L552 L553 Y559	F503-N555 HydrophobicContact CE1-CB 4.16Å; L551-N555 PolarHBondContact O-N 2.93Å; L551-N555 PolarHBondContact O-ND2 3.18Å; L551-N555 PolarHBondContact O-OD1 3.38Å; L552-N555 PolarHBondContact O-N 3.3Å; L553-N555 VanDerWaalsContact C-N 3.34Å; L553-N555 PolarHBondContact O-N 3.21Å; N555-Y559 VanDerWaalsContact O-CB 3.3Å; N555-Y559 WeakPolarHBondContact O-CB 3.41Å; N555-Y559 PolarHBondContact O-N 3.42Å
556	I	97.8	Very high	95.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-64.7	-50.7	174.1	-65.1	168.1	0	0	0	110.2	F469 L499 F503 L530 L552 L553 R554 A558 Y559 I560	F469-I556 HydrophobicContact CE1-CG2 4.15Å; F469-I556 HydrophobicContact CZ-CG2 4.05Å; L499-I556 HydrophobicContact CD1-CD1 4.34Å; L499-I556 HydrophobicContact CD2-CD1 4.35Å; L499-I556 HydrophobicContact CG-CD1 4.37Å; F503-I556 HydrophobicContact CD1-CG1 3.92Å; F503-I556 HydrophobicContact CD2-CG1 4.1Å; F503-I556 HydrophobicContact CE1-CG1 4.01Å; F503-I556 HydrophobicContact CE2-CG1 4.19Å; F503-I556 HydrophobicContact CG-CG1 3.96Å; F503-I556 HydrophobicContact CZ-CG1 4.14Å; L530-I556 HydrophobicContact CB-CG2 4.16Å; L530-I556 HydrophobicContact CD2-CG2 4.48Å; L552-I556 WeakPolarHBondContact O-CG1 3.39Å; L552-I556 PolarHBondContact O-N 3.08Å; L552-I556 VanDerWaalsContact O-N 3.15Å; L553-I556 PolarHBondContact O-N 3.46Å; R554-I556 VanDerWaalsContact C-N 3.32Å; R554-I556 PolarHBondContact O-N 3.05Å; I556-A558 PolarHBondContact O-N 3.43Å; I556-Y559 PolarHBondContact O-N 3.32Å; I556-I560 HydrophobicContact CG2-CD1 4.22Å; I556-I560 WeakPolarHBondContact O-CG1 3.45Å; I556-I560 PolarHBondContact O-N 3.45Å; I556-I560 VanDerWaalsContact O-N 3.14Å
557	A	97.8	Very high	95.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-41.1	-178.5	0	0	0	0	0	112.8	F469 F470 V473 L553 R554 I560 T561 I577	F469-A557 HydrophobicContact CE1-CB 4.1Å; F470-A557 HydrophobicContact CD1-CB 4.02Å; F470-A557 HydrophobicContact CE1-CB 4.2Å; F470-A557 WeakPolarHBondContact CE1-O 3.31Å; V473-A557 HydrophobicContact CB-CB 4.31Å; V473-A557 HydrophobicContact CG1-CB 3.95Å; V473-A557 HydrophobicContact CG2-CB 4.35Å; L553-A557 WeakPolarHBondContact O-CB 3.44Å; L553-A557 PolarHBondContact O-N 3.37Å; R554-A557 PolarHBondContact O-N 3.17Å; A557-I560 PolarHBondContact O-N 3.2Å; A557-T561 WeakPolarHBondContact O-CB 3.37Å; A557-T561 PolarHBondContact O-N 3.33Å; A557-T561 PolarHBondContact O-OG1 3.26Å; A557-I577 HydrophobicContact CB-CD1 3.97Å; A557-I577 HydrophobicContact CB-CG1 4.19Å; A557-I577 HydrophobicContact CB-CG2 3.82Å
558	A	96.8	Very high	96	Very high	12 Å²	12	16.7 Å²	16.7	10%	0.099	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-38.9	176.1	0	0	0	0	0	111.6	R554 I556 T561 N562 I577	R554-A558 WeakPolarHBondContact O-CB 3.45Å; R554-A558 PolarHBondContact O-N 3.47Å; I556-A558 PolarHBondContact O-N 3.43Å; A558-T561 PolarHBondContact O-N 3.02Å; A558-N562 WeakPolarHBondContact O-CB 3.38Å; A558-N562 PolarHBondContact O-N 3Å; A558-N562 PolarHBondContact O-ND2 3.36Å; A558-I577 HydrophobicContact CB-CG1 4.4Å
559	Y	98	Very high	96.1	Very high	31 Å²	31	16.8 Å²	16.8	12%	0.122	9%	0.085	C	C	.	.	H	α-helix	trans	-61	-48.4	175.9	176.8	-105.8	0	0	0	112.3	F503 K507 V510 F527 L530 N555 I556 T561 N562 L563	F503-Y559 AromaticContact CE2-CD1 3.84Å; F503-Y559 HydrophobicContact CE2-CD1 3.84Å; F503-Y559 HydrophobicContact CE2-CG 4.02Å; F503-Y559 HydrophobicContact CZ-CD1 4.38Å; F503-Y559 HydrophobicContact CZ-CG 4.09Å; K507-Y559 HydrophobicContact CD-CD2 4.35Å; K507-Y559 HydrophobicContact CD-CE2 4.22Å; K507-Y559 HydrophobicContact CG-CD1 4.36Å; K507-Y559 HydrophobicContact CG-CD2 4.37Å; K507-Y559 HydrophobicContact CG-CE1 3.93Å; K507-Y559 HydrophobicContact CG-CE2 3.94Å; V510-Y559 WeakPolarHBondContact CB-OH 3.15Å; V510-Y559 WeakPolarHBondContact CG1-OH 3.48Å; F527-Y559 HydrophobicContact CE1-CE1 4.37Å; L530-Y559 HydrophobicContact CD1-CD1 4.02Å; L530-Y559 HydrophobicContact CD1-CE1 4.15Å; N555-Y559 VanDerWaalsContact O-CB 3.3Å; N555-Y559 WeakPolarHBondContact O-CB 3.41Å; N555-Y559 PolarHBondContact O-N 3.42Å; I556-Y559 PolarHBondContact O-N 3.32Å; Y559-T561 VanDerWaalsContact C-N 3.33Å; Y559-T561 PolarHBondContact O-N 3.36Å; Y559-N562 PolarHBondContact O-N 3.39Å; Y559-L563 HydrophobicContact CD1-CD1 4.41Å; Y559-L563 HydrophobicContact CE1-CD1 3.73Å; Y559-L563 HydrophobicContact CE2-CD1 3.91Å; Y559-L563 VanDerWaalsContact CZ-CD1 3.44Å; Y559-L563 PolarHBondContact O-N 3.09Å
560	I	98	Very high	96	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-44.5	176.3	-61	170.6	0	0	0	110	F469 F470 F527 L530 I531 I556 A557 N562 L563 L564	F469-I560 HydrophobicContact CE1-CD1 4.31Å; F470-I560 HydrophobicContact CE1-CB 4.21Å; F470-I560 HydrophobicContact CE1-CG2 4.24Å; F470-I560 HydrophobicContact CZ-CB 4.18Å; F470-I560 HydrophobicContact CZ-CG2 3.79Å; F527-I560 HydrophobicContact CB-CG2 4.48Å; F527-I560 HydrophobicContact CD1-CG1 4.14Å; F527-I560 HydrophobicContact CD1-CG2 4.48Å; F527-I560 HydrophobicContact CD2-CG2 3.89Å; F527-I560 HydrophobicContact CE2-CG2 4.22Å; F527-I560 HydrophobicContact CG-CG1 4.36Å; F527-I560 HydrophobicContact CG-CG2 4.04Å; L530-I560 HydrophobicContact CB-CD1 4.07Å; L530-I560 HydrophobicContact CD1-CD1 4.44Å; L530-I560 HydrophobicContact CD1-CG1 4.2Å; I531-I560 HydrophobicContact CD1-CD1 4.45Å; I531-I560 HydrophobicContact CG1-CD1 3.86Å; I556-I560 HydrophobicContact CG2-CD1 4.22Å; I556-I560 WeakPolarHBondContact O-CG1 3.45Å; I556-I560 PolarHBondContact O-N 3.45Å; I556-I560 VanDerWaalsContact O-N 3.14Å; A557-I560 PolarHBondContact O-N 3.2Å; I560-N562 PolarHBondContact O-N 3.09Å; I560-L563 PolarHBondContact O-N 2.9Å; I560-L564 HydrophobicContact CG2-CD1 3.86Å; I560-L564 HydrophobicContact CG2-CG 4.32Å; I560-L564 WeakPolarHBondContact O-CB 3.36Å; I560-L564 WeakPolarHBondContact O-CG 2.99Å; I560-L564 PolarHBondContact O-N 3.03Å
561	T	97.1	Very high	95.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.5	-46.1	178.3	-59.3	0	0	0	0	111.4	F470 A557 A558 Y559 L563 L564 K565 I570 E576 G578	F470-T561 WeakPolarHBondContact CE1-OG1 3.48Å; F470-T561 WeakPolarHBondContact CZ-OG1 3.49Å; A557-T561 WeakPolarHBondContact O-CB 3.37Å; A557-T561 PolarHBondContact O-N 3.33Å; A557-T561 PolarHBondContact O-OG1 3.26Å; A558-T561 PolarHBondContact O-N 3.02Å; Y559-T561 VanDerWaalsContact C-N 3.33Å; Y559-T561 PolarHBondContact O-N 3.36Å; T561-L563 PolarHBondContact O-N 3.32Å; T561-L564 PolarHBondContact O-N 2.92Å; T561-K565 WeakPolarHBondContact O-CG 3.29Å; T561-K565 PolarHBondContact O-N 3.44Å; T561-I570 HydrophobicContact CG2-CD1 3.85Å; T561-E576 WeakPolarHBondContact CG2-O 3.47Å; T561-G578 PolarHBondContact OG1-N 3.11Å
562	N	96.6	Very high	94.9	Very high	85 Å²	85	22.6 Å²	22.6	46%	0.455	11%	0.113	S	C	.	.	H	α-helix	trans	-62.8	-43.3	-179	-72.3	-18.3	0	0	0	112.4	A558 Y559 I560 K565 I566	A558-N562 WeakPolarHBondContact O-CB 3.38Å; A558-N562 PolarHBondContact O-N 3Å; A558-N562 PolarHBondContact O-ND2 3.36Å; Y559-N562 PolarHBondContact O-N 3.39Å; I560-N562 PolarHBondContact O-N 3.09Å; N562-K565 WeakPolarHBondContact O-CB 3.39Å; N562-K565 PolarHBondContact O-N 3.04Å; N562-I566 WeakPolarHBondContact O-CG1 3.11Å; N562-I566 PolarHBondContact O-N 3.06Å
563	L	97.7	Very high	94.1	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-69.6	-37.1	176.3	-77.4	168.6	0	0	0	112.3	Y84 V510 L514 F527 Y559 I560 T561 K565 I566 F567	Y84-L563 HydrophobicContact CD2-CD2 3.85Å; Y84-L563 HydrophobicContact CE2-CD2 3.95Å; V510-L563 HydrophobicContact CG1-CD1 3.73Å; L514-L563 HydrophobicContact CD1-CD2 4.21Å; F527-L563 HydrophobicContact CE1-CB 4.35Å; F527-L563 HydrophobicContact CE1-CD1 3.6Å; F527-L563 HydrophobicContact CE2-CB 4.26Å; F527-L563 HydrophobicContact CZ-CB 3.48Å; F527-L563 VanDerWaalsContact CZ-CB 3.48Å; F527-L563 HydrophobicContact CZ-CD1 3.54Å; F527-L563 HydrophobicContact CZ-CG 4.15Å; Y559-L563 HydrophobicContact CD1-CD1 4.41Å; Y559-L563 HydrophobicContact CE1-CD1 3.73Å; Y559-L563 HydrophobicContact CE2-CD1 3.91Å; Y559-L563 VanDerWaalsContact CZ-CD1 3.44Å; Y559-L563 PolarHBondContact O-N 3.09Å; I560-L563 PolarHBondContact O-N 2.9Å; T561-L563 PolarHBondContact O-N 3.32Å; L563-K565 PolarHBondContact O-N 3.44Å; L563-I566 HydrophobicContact CD2-CD1 4.26Å; L563-I566 WeakPolarHBondContact O-CB 3.29Å; L563-I566 PolarHBondContact O-N 2.68Å; L563-I566 VanDerWaalsContact O-N 3.15Å; L563-F567 HydrophobicContact CB-CE2 4.36Å; L563-F567 WeakPolarHBondContact O-CD2 3.22Å; L563-F567 VanDerWaalsContact O-CG 3.27Å; L563-F567 WeakPolarHBondContact O-CG 3.31Å; L563-F567 PolarHBondContact O-N 2.98Å
564	L	97.5	Very high	93	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-28.3	172.6	-71.1	175.1	0	0	0	112.5	L438 T466 F470 I524 F527 I560 T561 F567 G568 A569 I570 F579	L438-L564 HydrophobicContact CD2-CD2 4.12Å; T466-L564 HydrophobicContact CG2-CD1 4.2Å; F470-L564 HydrophobicContact CE2-CD1 4.36Å; F470-L564 HydrophobicContact CZ-CD1 4.3Å; I524-L564 HydrophobicContact CD1-CD2 4.48Å; F527-L564 HydrophobicContact CD2-CD2 4.44Å; F527-L564 HydrophobicContact CE2-CD2 4.07Å; F527-L564 HydrophobicContact CE2-CG 4.11Å; I560-L564 HydrophobicContact CG2-CD1 3.86Å; I560-L564 HydrophobicContact CG2-CG 4.32Å; I560-L564 WeakPolarHBondContact O-CB 3.36Å; I560-L564 WeakPolarHBondContact O-CG 2.99Å; I560-L564 PolarHBondContact O-N 3.03Å; T561-L564 PolarHBondContact O-N 2.92Å; L564-F567 HydrophobicContact CD2-CD2 4.45Å; L564-G568 CarbonylContact O-C 3.58Å; L564-G568 PolarHBondContact O-N 3.2Å; L564-G568 VanDerWaalsContact O-N 3.13Å; L564-A569 HydrophobicContact CB-CB 4.3Å; L564-A569 HydrophobicContact CD2-CB 4.02Å; L564-A569 PolarHBondContact O-N 2.79Å; L564-I570 HydrophobicContact CB-CD1 3.66Å; L564-I570 HydrophobicContact CB-CG1 3.92Å; L564-I570 HydrophobicContact CD1-CD1 4.16Å; L564-I570 PolarHBondContact O-N 3.03Å; L564-I570 VanDerWaalsContact O-N 3.09Å; L564-F579 HydrophobicContact CD1-CE1 4.04Å; L564-F579 HydrophobicContact CD1-CZ 4.2Å
565	K	95.8	Very high	92.1	Very high	20 Å²	20	30.3 Å²	30.3	9%	0.087	16%	0.161	C	C	.	.	H	α-helix	trans	-68.2	-43.8	168.3	-73.5	179.5	-179.9	-176.1	0	112	T561 N562 L563 F567 G568 I570 S573 Q575	T561-K565 WeakPolarHBondContact O-CG 3.29Å; T561-K565 PolarHBondContact O-N 3.44Å; N562-K565 WeakPolarHBondContact O-CB 3.39Å; N562-K565 PolarHBondContact O-N 3.04Å; L563-K565 PolarHBondContact O-N 3.44Å; K565-F567 VanDerWaalsContact C-N 3.35Å; K565-G568 WeakPolarHBondContact O-CA 3.32Å; K565-G568 PolarHBondContact O-N 3.1Å; K565-I570 WeakPolarHBondContact CA-O 3.42Å; K565-I570 HydrophobicContact CG-CB 3.75Å; K565-I570 HydrophobicContact CG-CG2 3.75Å; K565-S573 PolarHBondContact NZ-O 3.09Å; K565-Q575 WeakPolarHBondContact CE-O 3.34Å; K565-Q575 PolarHBondContact NZ-O 3.26Å
566	I	97.1	Very high	91.5	Very high	24 Å²	24	31.9 Å²	31.9	12%	0.123	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-46.8	174.4	-69.7	171.6	0	0	0	109.9	R79 V80 D83 Y84 N562 L563 G568	R79-I566 WeakPolarHBondContact CB-O 3.48Å; R79-I566 WeakPolarHBondContact CD-O 3.49Å; V80-I566 HydrophobicContact CG2-CG2 4.18Å; D83-I566 HydrophobicContact CB-CD1 4.48Å; D83-I566 HydrophobicContact CB-CG1 3.96Å; D83-I566 HydrophobicContact CB-CG2 4.22Å; Y84-I566 HydrophobicContact CD2-CD1 4.27Å; N562-I566 WeakPolarHBondContact O-CG1 3.11Å; N562-I566 PolarHBondContact O-N 3.06Å; L563-I566 HydrophobicContact CD2-CD1 4.26Å; L563-I566 WeakPolarHBondContact O-CB 3.29Å; L563-I566 PolarHBondContact O-N 2.68Å; L563-I566 VanDerWaalsContact O-N 3.15Å; I566-G568 PolarHBondContact O-N 3.3Å; I566-G568 VanDerWaalsContact O-N 3.08Å
567	F	97.6	Very high	91.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.7	175	-58.3	-29.5	0	0	0	113.7	I76 V80 R437 L441 L514 T520 V523 F527 L563 L564 K565 A569	I76-F567 HydrophobicContact CG2-CD1 4.27Å; V80-F567 HydrophobicContact CG2-CD1 3.81Å; V80-F567 HydrophobicContact CG2-CE1 3.59Å; R437-F567 WeakPolarHBondContact CD-O 3.39Å; L441-F567 HydrophobicContact CD1-CB 3.8Å; L441-F567 HydrophobicContact CD1-CD2 4.08Å; L441-F567 HydrophobicContact CD1-CG 4.24Å; L441-F567 HydrophobicContact CD2-CB 3.81Å; L441-F567 HydrophobicContact CD2-CD1 4.2Å; L441-F567 HydrophobicContact CD2-CD2 3.9Å; L441-F567 HydrophobicContact CD2-CG 3.72Å; L441-F567 HydrophobicContact CG-CB 4.45Å; L514-F567 HydrophobicContact CD2-CE1 4.04Å; L514-F567 HydrophobicContact CD2-CZ 4.07Å; T520-F567 HydrophobicContact CG2-CE1 4.1Å; T520-F567 HydrophobicContact CG2-CZ 4.29Å; V523-F567 HydrophobicContact CB-CZ 4.4Å; V523-F567 HydrophobicContact CG1-CE2 3.84Å; V523-F567 HydrophobicContact CG1-CZ 3.89Å; F527-F567 HydrophobicContact CE2-CE2 4.15Å; F527-F567 HydrophobicContact CZ-CE2 4.23Å; L563-F567 HydrophobicContact CB-CE2 4.36Å; L563-F567 WeakPolarHBondContact O-CD2 3.22Å; L563-F567 VanDerWaalsContact O-CG 3.27Å; L563-F567 WeakPolarHBondContact O-CG 3.31Å; L563-F567 PolarHBondContact O-N 2.98Å; L564-F567 HydrophobicContact CD2-CD2 4.45Å; K565-F567 VanDerWaalsContact C-N 3.35Å; F567-A569 PolarHBondContact O-N 3.41Å
568	G	95.5	Very high	90.7	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	9.3	-178.4	0	0	0	0	0	114.6	N232 R437 L564 K565 I566 I570	N232-G568 PolarHBondContact ND2-O 3.42Å; R437-G568 VanDerWaalsContact CD-O 3.29Å; R437-G568 WeakPolarHBondContact CD-O 3.4Å; R437-G568 PolarHBondContact NH1-O 3.09Å; L564-G568 CarbonylContact O-C 3.58Å; L564-G568 PolarHBondContact O-N 3.2Å; L564-G568 VanDerWaalsContact O-N 3.13Å; K565-G568 WeakPolarHBondContact O-CA 3.32Å; K565-G568 PolarHBondContact O-N 3.1Å; I566-G568 PolarHBondContact O-N 3.3Å; I566-G568 VanDerWaalsContact O-N 3.08Å; G568-I570 PolarHBondContact O-N 3.08Å
569	A	94.8	Very high	90.2	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	17%	0.167	C	C	.	.	S	Bend	trans	-66	-23.8	170.8	0	0	0	0	0	111.7	R434 L438 L441 L564 F567	R434-A569 WeakPolarHBondContact CD-O 3.31Å; R434-A569 VanDerWaalsContact CG-O 3.31Å; R434-A569 WeakPolarHBondContact CG-O 3.33Å; L438-A569 HydrophobicContact CD2-CB 4.08Å; L441-A569 HydrophobicContact CD1-CB 4.36Å; L564-A569 HydrophobicContact CB-CB 4.3Å; L564-A569 HydrophobicContact CD2-CB 4.02Å; L564-A569 PolarHBondContact O-N 2.79Å; F567-A569 PolarHBondContact O-N 3.41Å
570	I	91.1	Very high	89	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-116.4	127.9	170.1	-60	174.2	0	0	0	107.9	T561 L564 K565 G568 F579 V580	T561-I570 HydrophobicContact CG2-CD1 3.85Å; L564-I570 HydrophobicContact CB-CD1 3.66Å; L564-I570 HydrophobicContact CB-CG1 3.92Å; L564-I570 HydrophobicContact CD1-CD1 4.16Å; L564-I570 PolarHBondContact O-N 3.03Å; L564-I570 VanDerWaalsContact O-N 3.09Å; K565-I570 WeakPolarHBondContact CA-O 3.42Å; K565-I570 HydrophobicContact CG-CB 3.75Å; K565-I570 HydrophobicContact CG-CG2 3.75Å; G568-I570 PolarHBondContact O-N 3.08Å; I570-F579 HydrophobicContact CD1-CD1 3.97Å; I570-F579 HydrophobicContact CD1-CE1 4.16Å; I570-F579 HydrophobicContact CG1-CD1 3.66Å; I570-F579 HydrophobicContact CG1-CE1 3.96Å; I570-V580 HydrophobicContact CG2-CG2 4.12Å
571	P	84.4	Confident	87.5	Confident	36 Å²	36	33.4 Å²	33.4	23%	0.234	18%	0.178	C	C	.	.			trans	-59	156.2	173	-24.1	35.2	0	0	0	112.1	S573	P571-S573 PolarHBondContact O-N 3.16Å
572	Q	78.3	Confident	85.5	Confident	129 Å²	129	36.1 Å²	36.1	60%	0.603	19%	0.19	S	C	*	.	S	Bend	trans	-67.5	109.9	174.4	-67	-62.2	-17	0	0	109.2
573	S	78.3	Confident	83.4	Confident	35 Å²	35	38 Å²	38	25%	0.245	20%	0.2	C	C	.	.			trans	-143.9	161.4	-178.3	74.3	0	0	0	0	111	K565 P571 Q575 V580	K565-S573 PolarHBondContact NZ-O 3.09Å; P571-S573 PolarHBondContact O-N 3.16Å; S573-Q575 PolarHBondContact O-N 3.32Å; S573-Q575 WeakPolarHBondContact OG-CB 3.21Å; S573-Q575 PolarHBondContact OG-N 2.93Å; S573-V580 WeakPolarHBondContact OG-CG2 3.42Å
574	N	73.4	Confident	81.3	Confident	156 Å²	156	41.2 Å²	41.2	83%	0.834	22%	0.215	S	C	*	.	S	Bend	trans	-71	-4.1	174.1	-68.1	-14.9	0	0	0	113	E576	N574-E576 PolarHBondContact O-N 2.87Å
575	Q	75.3	Confident	78.9	Confident	37 Å²	37	44 Å²	44	17%	0.173	23%	0.234	C	C	.	.			trans	-67	121.4	178.4	-176.9	167.9	-23.5	0	0	110.1	K565 S573 I577 G578 F579 V580	K565-Q575 WeakPolarHBondContact CE-O 3.34Å; K565-Q575 PolarHBondContact NZ-O 3.26Å; S573-Q575 PolarHBondContact O-N 3.32Å; S573-Q575 WeakPolarHBondContact OG-CB 3.21Å; S573-Q575 PolarHBondContact OG-N 2.93Å; Q575-I577 WeakPolarHBondContact CG-O 3.38Å; Q575-I577 PolarHBondContact NE2-O 3.18Å; Q575-G578 PolarHBondContact NE2-O 2.94Å; Q575-F579 PolarHBondContact NE2-O 3.33Å; Q575-V580 HydrophobicContact CB-CG2 4.35Å
576	E	82.1	Confident	76.5	Confident	94 Å²	94	49.6 Å²	49.6	44%	0.439	27%	0.265	S	S	.	.			trans	-74.4	-38.5	-176.6	-171.6	180	-161.4	0	0	112.8	R554 T561 N574	R554-E576 IonicContact CZ-OE1 3.22Å; R554-E576 IonicContact NE-OE1 3.22Å; R554-E576 PolarHBondContact NE-OE1 3.16Å; R554-E576 IonicContact NE-OE2 3.18Å; R554-E576 IonicContact NH2-OE1 2.77Å; R554-E576 PolarHBondContact NH2-OE1 2.68Å; T561-E576 WeakPolarHBondContact CG2-O 3.47Å; N574-E576 PolarHBondContact O-N 2.87Å
577	I	89.8	Confident	73.8	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.036	29%	0.287	C	S	.	.	S	Bend	trans	-131.6	130.4	-174.6	-66.2	173.7	0	0	0	110.5	F470 V473 K474 L477 R554 A557 A558 Q575	F470-I577 HydrophobicContact CB-CG2 4.06Å; F470-I577 HydrophobicContact CD1-CG2 3.72Å; F470-I577 HydrophobicContact CE1-CG2 4.43Å; F470-I577 HydrophobicContact CG-CG2 4.12Å; V473-I577 HydrophobicContact CG1-CD1 4.26Å; K474-I577 WeakPolarHBondContact CE-O 3.45Å; K474-I577 HydrophobicContact CG-CG2 4.35Å; L477-I577 HydrophobicContact CD1-CD1 3.63Å; R554-I577 HydrophobicContact CB-CD1 4.45Å; R554-I577 HydrophobicContact CG-CD1 3.94Å; A557-I577 HydrophobicContact CB-CD1 3.97Å; A557-I577 HydrophobicContact CB-CG1 4.19Å; A557-I577 HydrophobicContact CB-CG2 3.82Å; A558-I577 HydrophobicContact CB-CG1 4.4Å; Q575-I577 WeakPolarHBondContact CG-O 3.38Å; Q575-I577 PolarHBondContact NE2-O 3.18Å
578	G	88.6	Confident	70.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.01	33%	0.333	C	S	.	.	S	Bend	trans	88.4	-179.6	162.8	0	0	0	0	0	116.7	T561 Q575	T561-G578 PolarHBondContact OG1-N 3.11Å; Q575-G578 PolarHBondContact NE2-O 2.94Å
579	F	86.6	Confident	67.9	Low	18 Å²	18	63.7 Å²	63.7	8%	0.079	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-69	142.6	179.9	-58.9	-59.1	0	0	0	110.6	R434 E463 T466 N467 F470 L564 I570 Q575	R434-F579 VanDerWaalsContact CD-CD1 3.44Å; E463-F579 HydrophobicContact CG-CD2 4.49Å; E463-F579 HydrophobicContact CG-CE2 3.95Å; E463-F579 HydrophobicContact CG-CZ 4.26Å; T466-F579 HydrophobicContact CG2-CE2 3.95Å; T466-F579 HydrophobicContact CG2-CZ 3.82Å; N467-F579 HydrophobicContact CB-CD2 3.76Å; N467-F579 HydrophobicContact CB-CE2 3.94Å; F470-F579 HydrophobicContact CD2-CD2 4.31Å; F470-F579 HydrophobicContact CD2-CE2 4.31Å; F470-F579 HydrophobicContact CE2-CE2 4.24Å; F470-F579 HydrophobicContact CE2-CZ 4.29Å; L564-F579 HydrophobicContact CD1-CE1 4.04Å; L564-F579 HydrophobicContact CD1-CZ 4.2Å; I570-F579 HydrophobicContact CD1-CD1 3.97Å; I570-F579 HydrophobicContact CD1-CE1 4.16Å; I570-F579 HydrophobicContact CG1-CD1 3.66Å; I570-F579 HydrophobicContact CG1-CE1 3.96Å; Q575-F579 PolarHBondContact NE2-O 3.33Å
580	V	74.3	Confident	65.1	Low	8 Å²	8	69.2 Å²	69.2	5%	0.048	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-84.4	142.4	173.8	-176.9	0	0	0	0	108	I570 S573 Q575 E584	I570-V580 HydrophobicContact CG2-CG2 4.12Å; S573-V580 WeakPolarHBondContact OG-CG2 3.42Å; Q575-V580 HydrophobicContact CB-CG2 4.35Å; V580-E584 HydrophobicContact CG1-CB 3.71Å; V580-E584 WeakPolarHBondContact CG1-OE2 3.13Å
581	S	64.7	Low	62.4	Low	42 Å²	42	74.4 Å²	74.4	29%	0.294	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-61.8	141.1	175.3	-82.3	0	0	0	0	111.7	D583 E584 C585 D658	S581-D583 PolarHBondContact O-N 2.8Å; S581-E584 PolarHBondContact O-N 3.03Å; S581-C585 PolarHBondContact O-SG 3Å; S581-D658 WeakPolarHBondContact CA-OD1 3.15Å; S581-D658 WeakPolarHBondContact CB-OD1 3.34Å; S581-D658 PolarHBondContact OG-OD1 2.71Å
582	E	56.8	Low	60.2	Low	57 Å²	57	78.1 Å²	78.1	27%	0.266	46%	0.464	S	S	.	.	H	α-helix	trans	-55.8	-34.5	-179.9	-74	-178.3	168.8	0	0	112.5	T432 E584 C585 D658	T432-E582 WeakPolarHBondContact CG2-OE1 3.49Å; E582-E584 VanDerWaalsContact C-N 3.27Å; E582-E584 PolarHBondContact O-N 3.44Å; E582-C585 PolarHBondContact O-N 3.49Å; E582-C585 VanDerWaalsContact O-N 3.17Å; E582-D658 PolarHBondContact N-OD2 3.35Å
583	D	52	Low	58.6	Low	123 Å²	123	76.2 Å²	76.2	66%	0.658	46%	0.464	S	S	*	.	H	α-helix	trans	-64.8	-25.9	177.2	-70.5	-24.9	0	0	0	113.9	S581	S581-D583 PolarHBondContact O-N 2.8Å
584	E	52.8	Low	57.4	Low	73 Å²	73	82.5 Å²	82.5	34%	0.341	49%	0.488	S	S	.	.	H	α-helix	trans	-85.5	-15.5	178.5	-64.7	-174.9	168.9	0	0	112.2	V580 S581 E582	V580-E584 HydrophobicContact CG1-CB 3.71Å; V580-E584 WeakPolarHBondContact CG1-OE2 3.13Å; S581-E584 PolarHBondContact O-N 3.03Å; E582-E584 VanDerWaalsContact C-N 3.27Å; E582-E584 PolarHBondContact O-N 3.44Å
585	C	47.8	Very low	57	Low	57 Å²	57	79.4 Å²	79.4	39%	0.385	47%	0.471	S	S	.	.	H	α-helix	trans	-85.1	-22.4	-179.6	-58.9	0	0	0	0	113.1	S581 E582	S581-C585 PolarHBondContact O-SG 3Å; E582-C585 PolarHBondContact O-N 3.49Å; E582-C585 VanDerWaalsContact O-N 3.17Å
586	N	44.9	Very low	56.9	Low	139 Å²	139	83.2 Å²	83.2	74%	0.743	49%	0.487	S	S	*	.	S	Bend	trans	-92.3	1.5	-176.1	-67.9	-28.1	0	0	0	114.2
587	G	40.3	Very low	56.7	Low	56 Å²	56	80.8 Å²	80.8	58%	0.577	48%	0.476	S	S	*	.			trans	-84.5	111.6	178.4	0	0	0	0	0	112.1	G589	G587-G589 VanDerWaalsContact C-N 3.31Å; G587-G589 PolarHBondContact O-N 2.82Å
588	E	33.4	Very low	56.1	Low	210 Å²	210	83.3 Å²	83.3	98%	0.981	50%	0.498	S	S	*	.	S	Bend	trans	-63.1	90.8	164.2	-71.3	-176.5	167.2	0	0	109.4
589	G	36.4	Very low	55.8	Low	55 Å²	55	87.4 Å²	87.4	57%	0.567	52%	0.522	S	S	*	.			trans	160	76.3	179	0	0	0	0	0	113.9	G587 S591	G587-G589 VanDerWaalsContact C-N 3.31Å; G587-G589 PolarHBondContact O-N 2.82Å; G589-S591 PolarHBondContact O-N 2.82Å
590	A	35.8	Very low	55.8	Low	120 Å²	120	89.4 Å²	89.4	99%	0.992	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	18.7	175.9	0	0	0	0	0	115
591	S	34.4	Very low	56.4	Low	109 Å²	109	89.4 Å²	89.4	76%	0.762	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-13.8	-170.1	-173.8	0	0	0	0	115.9	G589	G589-S591 PolarHBondContact O-N 2.82Å
592	T	37.7	Very low	57.4	Low	115 Å²	115	91.1 Å²	91.1	71%	0.706	55%	0.546	S	S	*	.			trans	-153.5	77.2	179.5	33.2	0	0	0	0	110.6	F594	T592-F594 VanDerWaalsContact C-N 3.33Å; T592-F594 PolarHBondContact O-N 2.86Å
593	S	44.3	Very low	59	Low	88 Å²	88	96.8 Å²	96.8	62%	0.615	57%	0.566	S	S	*	*			trans	-65.5	95	164.7	167.5	0	0	0	0	108.4	N595	S593-N595 PolarHBondContact O-N 2.69Å
594	F	53.9	Low	60.8	Low	167 Å²	167	91.8 Å²	91.8	73%	0.732	54%	0.539	S	S	*	.			trans	-63.4	114.6	160.1	-103.7	-94.1	0	0	0	107	T592 K596	T592-F594 VanDerWaalsContact C-N 3.33Å; T592-F594 PolarHBondContact O-N 2.86Å; F594-K596 VanDerWaalsContact C-N 3.28Å; F594-K596 PolarHBondContact O-N 2.86Å
595	N	65.9	Low	62.4	Low	91 Å²	91	90.2 Å²	90.2	49%	0.487	53%	0.533	S	S	.	.			trans	-71.2	86.3	177.4	-173.3	-20.5	0	0	0	109.3	S593 E597 A598 V599	S593-N595 PolarHBondContact O-N 2.69Å; N595-E597 PolarHBondContact O-N 3.21Å; N595-E597 WeakPolarHBondContact OD1-CB 3.32Å; N595-E597 PolarHBondContact OD1-N 2.98Å; N595-A598 HydrophobicContact CB-CB 3.94Å; N595-A598 PolarHBondContact O-N 2.72Å; N595-A598 VanDerWaalsContact O-N 3.08Å; N595-A598 PolarHBondContact OD1-N 2.83Å; N595-V599 PolarHBondContact O-N 2.8Å
596	K	72.3	Confident	64.4	Low	118 Å²	118	90.3 Å²	90.3	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-54.3	-39.8	179.1	-72.5	178.8	179.8	173.3	0	111.2	F594 A598 V599 V600	F594-K596 VanDerWaalsContact C-N 3.28Å; F594-K596 PolarHBondContact O-N 2.86Å; K596-A598 PolarHBondContact O-N 3.1Å; K596-V599 PolarHBondContact O-N 2.57Å; K596-V600 WeakPolarHBondContact O-CB 3.38Å; K596-V600 WeakPolarHBondContact O-CG2 3.01Å; K596-V600 PolarHBondContact O-N 3.46Å
597	E	77.8	Confident	66.6	Low	42 Å²	42	86.6 Å²	86.6	20%	0.196	52%	0.517	C	S	.	.	H	α-helix	trans	-57.3	-49.2	176.1	175.4	169.8	-170.2	0	0	110.7	K474 R478 N595 V599 V600 M601 L656	K474-E597 IonicContact NZ-OE2 3.45Å; K474-E597 PolarHBondContact NZ-OE2 3.41Å; R478-E597 IonicContact CZ-OE1 3.8Å; R478-E597 IonicContact NH1-OE1 3.72Å; R478-E597 PolarHBondContact NH1-OE1 2.99Å; N595-E597 PolarHBondContact O-N 3.21Å; N595-E597 WeakPolarHBondContact OD1-CB 3.32Å; N595-E597 PolarHBondContact OD1-N 2.98Å; E597-V599 VanDerWaalsContact C-N 3.25Å; E597-V599 PolarHBondContact O-N 3.2Å; E597-V600 PolarHBondContact O-N 2.65Å; E597-M601 HydrophobicContact CG-CG 3.71Å; E597-M601 VanDerWaalsContact O-CB 3.24Å; E597-M601 WeakPolarHBondContact O-CB 3.3Å; E597-M601 WeakPolarHBondContact O-CG 3.44Å; E597-M601 PolarHBondContact O-N 3.32Å; E597-L656 HydrophobicContact CB-CD1 3.72Å; E597-L656 HydrophobicContact CG-CD1 3.7Å
598	A	76.6	Confident	68.9	Low	61 Å²	61	84.1 Å²	84.1	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-61.1	-31.4	179.2	0	0	0	0	0	113.8	N595 K596 P602	N595-A598 HydrophobicContact CB-CB 3.94Å; N595-A598 PolarHBondContact O-N 2.72Å; N595-A598 VanDerWaalsContact O-N 3.08Å; N595-A598 PolarHBondContact OD1-N 2.83Å; K596-A598 PolarHBondContact O-N 3.1Å; A598-P602 WeakPolarHBondContact O-CD 3.47Å
599	V	83.3	Confident	71.5	Confident	86 Å²	86	80 Å²	80	52%	0.521	47%	0.473	S	S	.	.	H	α-helix	trans	-80.2	-41.6	180	178.3	0	0	0	0	112	N595 K596 E597 Y603	N595-V599 PolarHBondContact O-N 2.8Å; K596-V599 PolarHBondContact O-N 2.57Å; E597-V599 VanDerWaalsContact C-N 3.25Å; E597-V599 PolarHBondContact O-N 3.2Å; V599-Y603 WeakPolarHBondContact O-CD2 3.44Å; V599-Y603 WeakPolarHBondContact O-CE2 3.34Å
600	V	86.3	Confident	74.1	Confident	61 Å²	61	84 Å²	84	37%	0.37	48%	0.475	S	S	.	.	H	α-helix	trans	-85.8	-32.3	-171.3	177.2	0	0	0	0	112.2	K596 E597 Y603 L604	K596-V600 WeakPolarHBondContact O-CB 3.38Å; K596-V600 WeakPolarHBondContact O-CG2 3.01Å; K596-V600 PolarHBondContact O-N 3.46Å; E597-V600 PolarHBondContact O-N 2.65Å; V600-Y603 PolarHBondContact O-N 3.35Å; V600-Y603 VanDerWaalsContact O-N 3.14Å; V600-L604 HydrophobicContact CG1-CD1 3.66Å; V600-L604 HydrophobicContact CG1-CD2 4.44Å; V600-L604 HydrophobicContact CG1-CG 3.78Å; V600-L604 PolarHBondContact O-N 3.19Å
601	M	86.1	Confident	76.9	Confident	7 Å²	7	78.5 Å²	78.5	3%	0.034	43%	0.428	C	S	.	.	H	α-helix	trans	-55.5	-42.4	-175.1	-77.4	-60.1	-47.2	0	0	114.8	E597 Y603 L604 D605 V654 L656	E597-M601 HydrophobicContact CG-CG 3.71Å; E597-M601 VanDerWaalsContact O-CB 3.24Å; E597-M601 WeakPolarHBondContact O-CB 3.3Å; E597-M601 WeakPolarHBondContact O-CG 3.44Å; E597-M601 PolarHBondContact O-N 3.32Å; M601-Y603 VanDerWaalsContact C-N 3.27Å; M601-Y603 PolarHBondContact O-N 3.37Å; M601-L604 PolarHBondContact O-N 3.25Å; M601-L604 VanDerWaalsContact O-N 3.16Å; M601-L604 HydrophobicContact SD-CD1 4.44Å; M601-D605 WeakPolarHBondContact O-CB 2.97Å; M601-D605 PolarHBondContact O-N 3.25Å; M601-V654 HydrophobicContact CE-CB 4.04Å; M601-V654 HydrophobicContact CE-CG1 3.87Å; M601-V654 HydrophobicContact SD-CG1 4.2Å; M601-L656 HydrophobicContact CG-CD1 4.31Å; M601-L656 HydrophobicContact SD-CD1 3.99Å; M601-L656 HydrophobicContact SD-CG 3.96Å
602	P	87.3	Confident	79.5	Confident	78 Å²	78	74 Å²	74	51%	0.506	40%	0.395	S	S	.	.	H	α-helix	trans	-58	-37.1	178.1	-25.9	35.1	0	0	0	113.8	A598 A606	A598-P602 WeakPolarHBondContact O-CD 3.47Å; P602-A606 WeakPolarHBondContact O-CB 3.44Å; P602-A606 PolarHBondContact O-N 2.64Å; P602-A606 VanDerWaalsContact O-N 3.13Å
603	Y	90.2	Very high	82	Confident	176 Å²	176	75.1 Å²	75.1	69%	0.69	39%	0.39	S	S	*	.	H	α-helix	trans	-72.1	-41.6	177.8	-61.8	-84.4	0	0	0	111.5	V599 V600 M601 A606 L607	V599-Y603 WeakPolarHBondContact O-CD2 3.44Å; V599-Y603 WeakPolarHBondContact O-CE2 3.34Å; V600-Y603 PolarHBondContact O-N 3.35Å; V600-Y603 VanDerWaalsContact O-N 3.14Å; M601-Y603 VanDerWaalsContact C-N 3.27Å; M601-Y603 PolarHBondContact O-N 3.37Å; Y603-A606 PolarHBondContact O-N 2.93Å; Y603-L607 WeakPolarHBondContact O-CB 3.47Å; Y603-L607 PolarHBondContact O-N 3.2Å
604	L	90.2	Very high	84.2	Confident	19 Å²	19	72.9 Å²	72.9	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-38.1	177.7	-64.1	179.6	0	0	0	112.1	V600 M601 L607 A608 V643 V654 L656	V600-L604 HydrophobicContact CG1-CD1 3.66Å; V600-L604 HydrophobicContact CG1-CD2 4.44Å; V600-L604 HydrophobicContact CG1-CG 3.78Å; V600-L604 PolarHBondContact O-N 3.19Å; M601-L604 PolarHBondContact O-N 3.25Å; M601-L604 VanDerWaalsContact O-N 3.16Å; M601-L604 HydrophobicContact SD-CD1 4.44Å; L604-L607 PolarHBondContact O-N 2.98Å; L604-A608 VanDerWaalsContact O-CB 3.3Å; L604-A608 WeakPolarHBondContact O-CB 3.28Å; L604-A608 PolarHBondContact O-N 3.3Å; L604-V643 HydrophobicContact CD1-CG1 3.97Å; L604-V643 HydrophobicContact CD1-CG2 3.68Å; L604-V643 HydrophobicContact CD2-CG1 4.21Å; L604-V643 HydrophobicContact CD2-CG2 4.01Å; L604-V654 HydrophobicContact CB-CG1 3.75Å; L604-V654 HydrophobicContact CD1-CG1 4Å; L604-L656 HydrophobicContact CD1-CD2 3.52Å
605	D	86.7	Confident	86	Confident	40 Å²	40	67.5 Å²	67.5	21%	0.214	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-43.3	174.9	-75.4	-27.7	0	0	0	111	M601 L607 A608 Q609	M601-D605 WeakPolarHBondContact O-CB 2.97Å; M601-D605 PolarHBondContact O-N 3.25Å; D605-L607 PolarHBondContact O-N 3.13Å; D605-A608 PolarHBondContact O-N 2.9Å; D605-Q609 WeakPolarHBondContact O-CB 3.32Å; D605-Q609 VanDerWaalsContact O-CG 3.24Å; D605-Q609 WeakPolarHBondContact O-CG 3.31Å; D605-Q609 PolarHBondContact O-N 3.45Å
606	A	88.3	Confident	87.1	Confident	58 Å²	58	67.6 Å²	67.6	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-43.3	174.6	0	0	0	0	0	111.9	P602 Y603 Q609 F610	P602-A606 WeakPolarHBondContact O-CB 3.44Å; P602-A606 PolarHBondContact O-N 2.64Å; P602-A606 VanDerWaalsContact O-N 3.13Å; Y603-A606 PolarHBondContact O-N 2.93Å; A606-Q609 PolarHBondContact O-N 2.94Å; A606-F610 WeakPolarHBondContact O-CB 3.23Å; A606-F610 PolarHBondContact O-N 3.45Å
607	L	91.6	Very high	88	Confident	61 Å²	61	66.8 Å²	66.8	32%	0.319	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-44	177.1	-178.2	64	0	0	0	112	Y603 L604 D605 F610 R611 L633 L638	Y603-L607 WeakPolarHBondContact O-CB 3.47Å; Y603-L607 PolarHBondContact O-N 3.2Å; L604-L607 PolarHBondContact O-N 2.98Å; D605-L607 PolarHBondContact O-N 3.13Å; L607-F610 PolarHBondContact O-N 3.11Å; L607-R611 WeakPolarHBondContact O-CB 3.3Å; L607-R611 PolarHBondContact O-N 3.34Å; L607-L633 HydrophobicContact CD1-CD2 4.32Å; L607-L638 HydrophobicContact CD2-CD1 4.2Å; L607-L638 HydrophobicContact CD2-CD2 3.98Å
608	A	89	Confident	88.7	Confident	5 Å²	5	64.9 Å²	64.9	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-42.4	178.4	0	0	0	0	0	111.6	L604 D605 R611 E612 L645 T652 V654	L604-A608 VanDerWaalsContact O-CB 3.3Å; L604-A608 WeakPolarHBondContact O-CB 3.28Å; L604-A608 PolarHBondContact O-N 3.3Å; D605-A608 PolarHBondContact O-N 2.9Å; A608-R611 PolarHBondContact O-N 3.45Å; A608-E612 WeakPolarHBondContact O-CB 3.38Å; A608-E612 PolarHBondContact O-N 3.16Å; A608-L645 HydrophobicContact CB-CD2 4.36Å; A608-T652 HydrophobicContact CB-CG2 4.04Å; A608-V654 HydrophobicContact CB-CG2 3.56Å
609	Q	87.8	Confident	89.3	Confident	123 Å²	123	68.6 Å²	68.6	58%	0.575	34%	0.344	S	S	*	.	H	α-helix	trans	-64.3	-41	174.8	-72.2	174.4	29.6	0	0	112.4	D605 A606 E612 K613	D605-Q609 WeakPolarHBondContact O-CB 3.32Å; D605-Q609 VanDerWaalsContact O-CG 3.24Å; D605-Q609 WeakPolarHBondContact O-CG 3.31Å; D605-Q609 PolarHBondContact O-N 3.45Å; A606-Q609 PolarHBondContact O-N 2.94Å; Q609-E612 PolarHBondContact O-N 3Å; Q609-K613 WeakPolarHBondContact O-CG 3.42Å; Q609-K613 PolarHBondContact O-N 3.23Å; Q609-K613 VanDerWaalsContact O-N 3.13Å
610	F	91.9	Very high	89.8	Confident	139 Å²	139	71.7 Å²	71.7	61%	0.61	35%	0.353	S	S	*	.	H	α-helix	trans	-63.1	-49.8	175.2	176.9	-102.3	0	0	0	111.2	A606 L607 E612 K613 V614	A606-F610 WeakPolarHBondContact O-CB 3.23Å; A606-F610 PolarHBondContact O-N 3.45Å; L607-F610 PolarHBondContact O-N 3.11Å; F610-E612 VanDerWaalsContact C-N 3.31Å; F610-E612 PolarHBondContact O-N 3.1Å; F610-K613 PolarHBondContact O-N 2.66Å; F610-V614 HydrophobicContact CD1-CG2 4.34Å; F610-V614 HydrophobicContact CD2-CG2 4.44Å; F610-V614 HydrophobicContact CE1-CG2 3.91Å; F610-V614 HydrophobicContact CE2-CG2 4.02Å; F610-V614 HydrophobicContact CZ-CG2 3.74Å; F610-V614 WeakPolarHBondContact O-CG2 3.17Å; F610-V614 PolarHBondContact O-N 3.41Å
611	R	92.7	Very high	90.1	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-53.8	-47.8	175.5	178.2	-168.1	164	-91.2	2.9	111	L607 A608 K613 V614 R615 C630 D647 T652	L607-R611 WeakPolarHBondContact O-CB 3.3Å; L607-R611 PolarHBondContact O-N 3.34Å; A608-R611 PolarHBondContact O-N 3.45Å; R611-K613 PolarHBondContact O-N 3.49Å; R611-V614 PolarHBondContact O-N 2.65Å; R611-R615 VanDerWaalsContact O-CB 3.25Å; R611-R615 WeakPolarHBondContact O-CB 3.43Å; R611-R615 PolarHBondContact O-N 3.13Å; R611-C630 HydrophobicContact CG-CB 4.32Å; R611-C630 PolarHBondContact NE-O 3.32Å; R611-C630 VanDerWaalsContact NE-O 3.1Å; R611-D647 IonicContact CZ-OD1 3.58Å; R611-D647 IonicContact CZ-OD2 3.72Å; R611-D647 IonicContact NH1-OD1 3.75Å; R611-D647 PolarHBondContact NH1-OD1 2.95Å; R611-D647 IonicContact NH1-OD2 2.68Å; R611-D647 IonicContact NH2-OD1 2.83Å; R611-D647 IonicContact NH2-OD2 3.27Å; R611-D647 PolarHBondContact NH2-OD2 3.13Å; R611-T652 PolarHBondContact NH1-OG1 3.38Å
612	E	89.8	Confident	90.3	Very high	16 Å²	16	82.6 Å²	82.6	8%	0.075	40%	0.397	C	S	.	.	H	α-helix	trans	-65.9	-40	-176.5	-174.4	60.8	-177.7	0	0	112	A608 Q609 F610 V614 R615 L616	A608-E612 WeakPolarHBondContact O-CB 3.38Å; A608-E612 PolarHBondContact O-N 3.16Å; Q609-E612 PolarHBondContact O-N 3Å; F610-E612 VanDerWaalsContact C-N 3.31Å; F610-E612 PolarHBondContact O-N 3.1Å; E612-V614 PolarHBondContact O-N 2.56Å; E612-R615 PolarHBondContact O-N 3.5Å; E612-R615 IonicContact OE1-NH1 3.3Å; E612-R615 PolarHBondContact OE1-NH1 3.02Å; E612-R615 VanDerWaalsContact OE1-NH1 3.11Å; E612-R615 IonicContact OE2-CZ 3.59Å; E612-R615 IonicContact OE2-NH1 3.06Å; E612-R615 PolarHBondContact OE2-NH1 3.34Å; E612-L616 HydrophobicContact CG-CD1 4.26Å; E612-L616 HydrophobicContact CG-CG 4.48Å; E612-L616 WeakPolarHBondContact O-CB 3.27Å; E612-L616 VanDerWaalsContact O-CG 3.28Å; E612-L616 WeakPolarHBondContact O-CG 3.49Å; E612-L616 PolarHBondContact O-N 3.19Å
613	K	89.8	Confident	90.7	Very high	137 Å²	137	81.7 Å²	81.7	60%	0.596	39%	0.39	S	S	*	.	H	α-helix	trans	-59.2	-47.2	172.8	-72.2	174.9	-176.8	177.3	0	111.7	Q609 F610 R611 L616 I617	Q609-K613 WeakPolarHBondContact O-CG 3.42Å; Q609-K613 PolarHBondContact O-N 3.23Å; Q609-K613 VanDerWaalsContact O-N 3.13Å; F610-K613 PolarHBondContact O-N 2.66Å; R611-K613 PolarHBondContact O-N 3.49Å; K613-L616 PolarHBondContact O-N 3.3Å; K613-I617 WeakPolarHBondContact O-CG1 3.36Å; K613-I617 PolarHBondContact O-N 2.88Å; K613-I617 VanDerWaalsContact O-N 3.16Å
614	V	91.6	Very high	90.7	Very high	41 Å²	41	78.4 Å²	78.4	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-61.8	-44.7	177.7	172	0	0	0	0	110.9	F610 R611 E612 L616 I617 A618 I626	F610-V614 HydrophobicContact CD1-CG2 4.34Å; F610-V614 HydrophobicContact CD2-CG2 4.44Å; F610-V614 HydrophobicContact CE1-CG2 3.91Å; F610-V614 HydrophobicContact CE2-CG2 4.02Å; F610-V614 HydrophobicContact CZ-CG2 3.74Å; F610-V614 WeakPolarHBondContact O-CG2 3.17Å; F610-V614 PolarHBondContact O-N 3.41Å; R611-V614 PolarHBondContact O-N 2.65Å; E612-V614 PolarHBondContact O-N 2.56Å; V614-L616 PolarHBondContact O-N 3.5Å; V614-I617 PolarHBondContact O-N 3.32Å; V614-A618 WeakPolarHBondContact O-CB 3.34Å; V614-A618 PolarHBondContact O-N 3.42Å; V614-I626 HydrophobicContact CG1-CG2 3.46Å; V614-I626 VanDerWaalsContact CG1-CG2 3.46Å
615	R	90.8	Very high	90.7	Very high	55 Å²	55	79.5 Å²	79.5	21%	0.208	40%	0.4	C	S	.	.	H	α-helix	trans	-62.2	-42	178.8	177.8	174.1	168.1	-100.1	2.9	112.4	R611 E612 A618 K619 L627 D647	R611-R615 VanDerWaalsContact O-CB 3.25Å; R611-R615 WeakPolarHBondContact O-CB 3.43Å; R611-R615 PolarHBondContact O-N 3.13Å; E612-R615 PolarHBondContact O-N 3.5Å; E612-R615 IonicContact OE1-NH1 3.3Å; E612-R615 PolarHBondContact OE1-NH1 3.02Å; E612-R615 VanDerWaalsContact OE1-NH1 3.11Å; E612-R615 IonicContact OE2-CZ 3.59Å; E612-R615 IonicContact OE2-NH1 3.06Å; E612-R615 PolarHBondContact OE2-NH1 3.34Å; R615-A618 PolarHBondContact O-N 3.2Å; R615-K619 VanDerWaalsContact O-CB 3.28Å; R615-K619 WeakPolarHBondContact O-CB 3.38Å; R615-K619 PolarHBondContact O-N 2.8Å; R615-L627 HydrophobicContact CG-CD2 4.05Å; R615-D647 IonicContact CZ-OD2 3.41Å; R615-D647 IonicContact NE-OD2 3.8Å; R615-D647 IonicContact NH1-OD2 3.11Å; R615-D647 IonicContact NH2-OD2 3.67Å
616	L	89.9	Confident	91	Very high	93 Å²	93	81 Å²	81	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-63.2	-46.9	176.9	-72.8	171.4	0	0	0	111.4	E612 K613 V614 A618 K619 E620	E612-L616 HydrophobicContact CG-CD1 4.26Å; E612-L616 HydrophobicContact CG-CG 4.48Å; E612-L616 WeakPolarHBondContact O-CB 3.27Å; E612-L616 VanDerWaalsContact O-CG 3.28Å; E612-L616 WeakPolarHBondContact O-CG 3.49Å; E612-L616 PolarHBondContact O-N 3.19Å; K613-L616 PolarHBondContact O-N 3.3Å; V614-L616 PolarHBondContact O-N 3.5Å; L616-A618 PolarHBondContact O-N 2.79Å; L616-K619 PolarHBondContact O-N 2.84Å; L616-E620 PolarHBondContact O-N 2.7Å
617	I	91.7	Very high	91	Very high	100 Å²	100	80.2 Å²	80.2	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-60.7	-46.3	176.3	-65.3	166	0	0	0	110.4	K613 V614 K619 E620 H621	K613-I617 WeakPolarHBondContact O-CG1 3.36Å; K613-I617 PolarHBondContact O-N 2.88Å; K613-I617 VanDerWaalsContact O-N 3.16Å; V614-I617 PolarHBondContact O-N 3.32Å; I617-K619 VanDerWaalsContact C-N 3.32Å; I617-K619 PolarHBondContact O-N 3.03Å; I617-E620 PolarHBondContact O-N 3.25Å; I617-H621 PolarHBondContact O-N 3.25Å; I617-H621 PolarHBondContact O-ND1 3.25Å
618	A	91.4	Very high	91	Very high	2 Å²	2	83.4 Å²	83.4	2%	0.017	41%	0.408	C	S	.	.	H	α-helix	trans	-63.6	-36.6	178.9	0	0	0	0	0	112.4	V614 R615 L616 H621 K622 V623 I626 L627	V614-A618 WeakPolarHBondContact O-CB 3.34Å; V614-A618 PolarHBondContact O-N 3.42Å; R615-A618 PolarHBondContact O-N 3.2Å; L616-A618 PolarHBondContact O-N 2.79Å; A618-H621 CarbonylContact O-C 3.56Å; A618-K622 CarbonylContact O-C 3.59Å; A618-K622 WeakPolarHBondContact O-CA 3.4Å; A618-K622 PolarHBondContact O-N 3.48Å; A618-V623 HydrophobicContact CB-CB 4.4Å; A618-V623 PolarHBondContact O-N 3.19Å; A618-I626 HydrophobicContact CB-CB 3.92Å; A618-I626 HydrophobicContact CB-CG2 3.71Å; A618-L627 HydrophobicContact CB-CD2 3.83Å; A618-L627 HydrophobicContact CB-CG 4.06Å
619	K	89.6	Confident	91.2	Very high	140 Å²	140	89.4 Å²	89.4	61%	0.609	44%	0.435	S	S	*	.	H	α-helix	trans	-68.7	-41.9	176.7	-170.3	179	-178.3	-177.2	0	112	R615 L616 I617 H621 K622	R615-K619 VanDerWaalsContact O-CB 3.28Å; R615-K619 WeakPolarHBondContact O-CB 3.38Å; R615-K619 PolarHBondContact O-N 2.8Å; L616-K619 PolarHBondContact O-N 2.84Å; I617-K619 VanDerWaalsContact C-N 3.32Å; I617-K619 PolarHBondContact O-N 3.03Å; K619-H621 VanDerWaalsContact C-N 3.33Å; K619-K622 PolarHBondContact O-N 3.34Å
620	E	92.6	Very high	91.3	Very high	151 Å²	151	84 Å²	84	71%	0.706	41%	0.41	S	S	*	.	H	α-helix	trans	-60.8	-43.3	175	-176.5	176.9	-166.5	0	0	111.4	L616 I617	L616-E620 PolarHBondContact O-N 2.7Å; I617-E620 PolarHBondContact O-N 3.25Å
621	H	92.6	Very high	91.2	Very high	124 Å²	124	80.3 Å²	80.3	57%	0.574	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	2.7	-177.8	-63.8	78.4	0	0	0	113.9	I617 A618 K619 V623	I617-H621 PolarHBondContact O-N 3.25Å; I617-H621 PolarHBondContact O-ND1 3.25Å; A618-H621 CarbonylContact O-C 3.56Å; K619-H621 VanDerWaalsContact C-N 3.33Å; H621-V623 VanDerWaalsContact C-N 3.27Å; H621-V623 HydrophobicContact CB-CG2 3.8Å; H621-V623 PolarHBondContact O-N 2.96Å
622	K	91.7	Very high	91.1	Very high	172 Å²	172	82.5 Å²	82.5	75%	0.748	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.9	-177.7	-57.2	179.6	-179.1	176.9	0	114	A618 K619 N624	A618-K622 CarbonylContact O-C 3.59Å; A618-K622 WeakPolarHBondContact O-CA 3.4Å; A618-K622 PolarHBondContact O-N 3.48Å; K619-K622 PolarHBondContact O-N 3.34Å; K622-N624 PolarHBondContact O-N 2.97Å
623	V	94.2	Very high	91.2	Very high	60 Å²	60	84 Å²	84	36%	0.364	42%	0.419	S	S	.	.			trans	-86.3	87.8	-179.9	-172.2	0	0	0	0	109.9	A618 H621 G625 I626 L627	A618-V623 HydrophobicContact CB-CB 4.4Å; A618-V623 PolarHBondContact O-N 3.19Å; H621-V623 VanDerWaalsContact C-N 3.27Å; H621-V623 HydrophobicContact CB-CG2 3.8Å; H621-V623 PolarHBondContact O-N 2.96Å; V623-G625 PolarHBondContact O-N 3.08Å; V623-I626 HydrophobicContact CB-CD1 4.38Å; V623-I626 HydrophobicContact CG1-CB 4.19Å; V623-I626 HydrophobicContact CG1-CD1 3.76Å; V623-I626 HydrophobicContact CG1-CG1 3.79Å; V623-I626 PolarHBondContact O-N 3.27Å; V623-L627 PolarHBondContact O-N 3.13Å
624	N	90.9	Very high	91.1	Very high	107 Å²	107	79.7 Å²	79.7	57%	0.572	40%	0.399	S	S	*	.	H	α-helix	trans	-59.2	-39.9	-173.7	-67.1	-22.9	0	0	0	113.9	K622 I626 L627 E628	K622-N624 PolarHBondContact O-N 2.97Å; N624-I626 VanDerWaalsContact C-N 3.31Å; N624-I626 PolarHBondContact O-N 2.93Å; N624-L627 WeakPolarHBondContact O-CB 3.14Å; N624-L627 PolarHBondContact O-N 2.95Å; N624-E628 WeakPolarHBondContact O-CG 3.35Å; N624-E628 PolarHBondContact O-N 3.19Å
625	G	91.3	Very high	90.9	Very high	41 Å²	41	81.5 Å²	81.5	42%	0.423	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-36.4	-179.1	0	0	0	0	0	113.6	V623 E628 E629	V623-G625 PolarHBondContact O-N 3.08Å; G625-E628 PolarHBondContact O-N 3.05Å; G625-E629 WeakPolarHBondContact O-CG 3.5Å; G625-E629 PolarHBondContact O-N 3.11Å; G625-E629 VanDerWaalsContact O-N 3.08Å
626	I	91.3	Very high	90.6	Very high	73 Å²	73	84.4 Å²	84.4	37%	0.374	42%	0.422	S	S	.	.	H	α-helix	trans	-71.7	-35.2	176	-64.4	177.1	0	0	0	110.9	V614 A618 V623 N624 E629 C630	V614-I626 HydrophobicContact CG1-CG2 3.46Å; V614-I626 VanDerWaalsContact CG1-CG2 3.46Å; A618-I626 HydrophobicContact CB-CB 3.92Å; A618-I626 HydrophobicContact CB-CG2 3.71Å; V623-I626 HydrophobicContact CB-CD1 4.38Å; V623-I626 HydrophobicContact CG1-CB 4.19Å; V623-I626 HydrophobicContact CG1-CD1 3.76Å; V623-I626 HydrophobicContact CG1-CG1 3.79Å; V623-I626 PolarHBondContact O-N 3.27Å; N624-I626 VanDerWaalsContact C-N 3.31Å; N624-I626 PolarHBondContact O-N 2.93Å; I626-E629 PolarHBondContact O-N 2.71Å; I626-C630 WeakPolarHBondContact O-CB 3.4Å; I626-C630 PolarHBondContact O-N 3.46Å; I626-C630 PolarHBondContact O-SG 3.02Å
627	L	89.9	Confident	90.6	Very high	41 Å²	41	83.1 Å²	83.1	22%	0.215	42%	0.418	C	S	.	.	H	α-helix	trans	-64.7	-41.5	174.7	-63.9	174.6	0	0	0	111	R615 A618 V623 N624 C630 D631	R615-L627 HydrophobicContact CG-CD2 4.05Å; A618-L627 HydrophobicContact CB-CD2 3.83Å; A618-L627 HydrophobicContact CB-CG 4.06Å; V623-L627 PolarHBondContact O-N 3.13Å; N624-L627 WeakPolarHBondContact O-CB 3.14Å; N624-L627 PolarHBondContact O-N 2.95Å; L627-C630 WeakPolarHBondContact O-CB 3.38Å; L627-C630 PolarHBondContact O-N 3.44Å; L627-D631 PolarHBondContact O-N 3.04Å
628	E	91.5	Very high	90.5	Very high	127 Å²	127	78.7 Å²	78.7	59%	0.593	40%	0.395	S	S	*	.	H	α-helix	trans	-62.3	-39.6	174.9	-71.8	172.3	-167.7	0	0	112.4	N624 G625 D631 T632	N624-E628 WeakPolarHBondContact O-CG 3.35Å; N624-E628 PolarHBondContact O-N 3.19Å; G625-E628 PolarHBondContact O-N 3.05Å; E628-D631 PolarHBondContact O-N 3.3Å; E628-T632 WeakPolarHBondContact O-CB 3.36Å; E628-T632 PolarHBondContact O-N 3.44Å; E628-T632 PolarHBondContact O-OG1 3.34Å
629	E	92.1	Very high	90.3	Very high	132 Å²	132	79.4 Å²	79.4	62%	0.617	40%	0.399	S	S	*	.	H	α-helix	trans	-68.3	-39	173.5	-72	-60	152.4	0	0	112.2	G625 I626 D631 T632 L633	G625-E629 WeakPolarHBondContact O-CG 3.5Å; G625-E629 PolarHBondContact O-N 3.11Å; G625-E629 VanDerWaalsContact O-N 3.08Å; I626-E629 PolarHBondContact O-N 2.71Å; E629-D631 VanDerWaalsContact C-N 3.29Å; E629-D631 PolarHBondContact O-N 3.07Å; E629-T632 PolarHBondContact O-N 2.95Å; E629-L633 WeakPolarHBondContact O-CB 3.35Å; E629-L633 PolarHBondContact O-N 2.8Å
630	C	90.8	Very high	90.1	Very high	8 Å²	8	77.8 Å²	77.8	5%	0.054	39%	0.394	C	S	.	.	H	α-helix	trans	-63.9	-34.9	174.2	-70.5	0	0	0	0	112.4	R611 I626 L627 R634	R611-C630 HydrophobicContact CG-CB 4.32Å; R611-C630 PolarHBondContact NE-O 3.32Å; R611-C630 VanDerWaalsContact NE-O 3.1Å; I626-C630 WeakPolarHBondContact O-CB 3.4Å; I626-C630 PolarHBondContact O-N 3.46Å; I626-C630 PolarHBondContact O-SG 3.02Å; L627-C630 WeakPolarHBondContact O-CB 3.38Å; L627-C630 PolarHBondContact O-N 3.44Å; C630-R634 WeakPolarHBondContact O-CB 3.31Å; C630-R634 PolarHBondContact O-N 2.87Å
631	D	89.6	Confident	89.8	Confident	62 Å²	62	76.5 Å²	76.5	33%	0.332	39%	0.391	S	S	.	.	H	α-helix	trans	-73.8	-38.7	174.1	-74	-24.8	0	0	0	110.9	L627 E628 E629 R634 D635	L627-D631 PolarHBondContact O-N 3.04Å; E628-D631 PolarHBondContact O-N 3.3Å; E629-D631 VanDerWaalsContact C-N 3.29Å; E629-D631 PolarHBondContact O-N 3.07Å; D631-R634 PolarHBondContact O-N 3.01Å; D631-R634 IonicContact OD1-CZ 2.7Å; D631-R634 VanDerWaalsContact OD1-CZ 3.22Å; D631-R634 IonicContact OD1-NH1 2.68Å; D631-R634 PolarHBondContact OD1-NH1 3.43Å; D631-R634 IonicContact OD1-NH2 2.89Å; D631-R634 PolarHBondContact OD1-NH2 2.63Å; D631-D635 VanDerWaalsContact O-CB 3.32Å; D631-D635 WeakPolarHBondContact O-CB 3.39Å; D631-D635 PolarHBondContact O-N 2.91Å
632	T	90.5	Very high	89.5	Confident	50 Å²	50	71 Å²	71	31%	0.307	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-45.4	174.7	-63.7	0	0	0	0	111.7	E628 E629 R634 K636 T637	E628-T632 WeakPolarHBondContact O-CB 3.36Å; E628-T632 PolarHBondContact O-N 3.44Å; E628-T632 PolarHBondContact O-OG1 3.34Å; E629-T632 PolarHBondContact O-N 2.95Å; T632-R634 VanDerWaalsContact C-N 3.34Å; T632-R634 PolarHBondContact O-N 2.92Å; T632-K636 WeakPolarHBondContact O-CB 3.49Å; T632-K636 PolarHBondContact O-N 2.64Å; T632-T637 PolarHBondContact O-N 2.6Å; T632-T637 VanDerWaalsContact O-N 3.11Å
633	L	90.9	Very high	89.4	Confident	47 Å²	47	63 Å²	63	25%	0.246	33%	0.334	C	S	.	.	I	π-helix	trans	-60.1	-44	174.9	-178.8	65.1	0	0	0	111.5	L607 E629 T637 L638	L607-L633 HydrophobicContact CD1-CD2 4.32Å; E629-L633 WeakPolarHBondContact O-CB 3.35Å; E629-L633 PolarHBondContact O-N 2.8Å; L633-T637 HydrophobicContact CD1-CG2 4.15Å; L633-L638 HydrophobicContact CD1-CD1 4.36Å; L633-L638 HydrophobicContact CD1-CG 4.05Å; L633-L638 HydrophobicContact CG-CD1 4.12Å; L633-L638 HydrophobicContact CG-CG 4.28Å; L633-L638 VanDerWaalsContact O-CB 3.31Å; L633-L638 WeakPolarHBondContact O-CB 3.31Å; L633-L638 WeakPolarHBondContact O-CG 3.21Å; L633-L638 PolarHBondContact O-N 3.49Å
634	R	89.3	Confident	89.2	Confident	48 Å²	48	62 Å²	62	18%	0.181	32%	0.323	C	S	.	.	I	π-helix	trans	-67.9	-52.8	-179.6	173.6	-180	79.6	-138.6	-18.3	112.5	C630 D631 T632 T639 L645 D647	C630-R634 WeakPolarHBondContact O-CB 3.31Å; C630-R634 PolarHBondContact O-N 2.87Å; D631-R634 PolarHBondContact O-N 3.01Å; D631-R634 IonicContact OD1-CZ 2.7Å; D631-R634 VanDerWaalsContact OD1-CZ 3.22Å; D631-R634 IonicContact OD1-NH1 2.68Å; D631-R634 PolarHBondContact OD1-NH1 3.43Å; D631-R634 IonicContact OD1-NH2 2.89Å; D631-R634 PolarHBondContact OD1-NH2 2.63Å; T632-R634 VanDerWaalsContact C-N 3.34Å; T632-R634 PolarHBondContact O-N 2.92Å; R634-T639 PolarHBondContact O-OG1 3.38Å; R634-L645 WeakPolarHBondContact CD-O 3.05Å; R634-L645 HydrophobicContact CG-CB 4.01Å; R634-D647 IonicContact NH1-OD2 2.99Å; R634-D647 PolarHBondContact NH1-OD2 3.1Å; R634-D647 VanDerWaalsContact NH1-OD2 3.13Å
635	D	86.4	Confident	89.1	Confident	79 Å²	79	57.3 Å²	57.3	42%	0.422	30%	0.298	S	S	.	.	I	π-helix	trans	-92.7	-20.8	-163.1	-63.4	-35.1	0	0	0	112.5	D631 T639	D631-D635 VanDerWaalsContact O-CB 3.32Å; D631-D635 WeakPolarHBondContact O-CB 3.39Å; D631-D635 PolarHBondContact O-N 2.91Å; D635-T639 PolarHBondContact O-OG1 2.92Å
636	K	85.4	Confident	88.9	Confident	116 Å²	116	58.2 Å²	58.2	50%	0.504	29%	0.291	S	S	.	.	I	π-helix	trans	-118.3	-65.2	179.8	-60.2	-175.9	-179.2	176.3	0	112.8	T632 L638 T639 E640	T632-K636 WeakPolarHBondContact O-CB 3.49Å; T632-K636 PolarHBondContact O-N 2.64Å; K636-L638 PolarHBondContact O-N 3.14Å; K636-T639 WeakPolarHBondContact O-CB 3.43Å; K636-T639 PolarHBondContact O-N 3.35Å; K636-E640 WeakPolarHBondContact O-CG 3.43Å; K636-E640 PolarHBondContact O-N 3.1Å
637	T	89.5	Confident	88.5	Confident	65 Å²	65	57.2 Å²	57.2	40%	0.399	29%	0.287	S	S	.	.	I	π-helix	trans	-62.3	-48.4	-168	-51.2	0	0	0	0	112.6	T632 L633 L641	T632-T637 PolarHBondContact O-N 2.6Å; T632-T637 VanDerWaalsContact O-N 3.11Å; L633-T637 HydrophobicContact CD1-CG2 4.15Å; T637-L641 WeakPolarHBondContact O-CG 3.29Å
638	L	89.6	Confident	88	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-74	-32.9	178.9	-73.1	178	0	0	0	112.2	L607 L633 K636 E640 L641 G642 V643 L645	L607-L638 HydrophobicContact CD2-CD1 4.2Å; L607-L638 HydrophobicContact CD2-CD2 3.98Å; L633-L638 HydrophobicContact CD1-CD1 4.36Å; L633-L638 HydrophobicContact CD1-CG 4.05Å; L633-L638 HydrophobicContact CG-CD1 4.12Å; L633-L638 HydrophobicContact CG-CG 4.28Å; L633-L638 VanDerWaalsContact O-CB 3.31Å; L633-L638 WeakPolarHBondContact O-CB 3.31Å; L633-L638 WeakPolarHBondContact O-CG 3.21Å; L633-L638 PolarHBondContact O-N 3.49Å; K636-L638 PolarHBondContact O-N 3.14Å; L638-E640 VanDerWaalsContact C-N 3.31Å; L638-E640 PolarHBondContact O-N 3.3Å; L638-L641 HydrophobicContact CD2-CD1 4.44Å; L638-L641 CarbonylContact O-C 3.43Å; L638-L641 WeakPolarHBondContact O-CA 3.47Å; L638-L641 WeakPolarHBondContact O-CB 3.24Å; L638-L641 PolarHBondContact O-N 3.21Å; L638-G642 PolarHBondContact O-N 3.23Å; L638-V643 CarbonylContact C-O 3.56Å; L638-V643 HydrophobicContact CB-CB 4.02Å; L638-V643 HydrophobicContact CB-CG1 4.34Å; L638-V643 HydrophobicContact CD1-CG1 4.49Å; L638-V643 HydrophobicContact CD2-CB 4.35Å; L638-V643 HydrophobicContact CD2-CG1 4.49Å; L638-V643 PolarHBondContact O-N 3.42Å; L638-V643 VanDerWaalsContact O-O 3.1Å; L638-L645 HydrophobicContact CD1-CD1 3.38Å; L638-L645 HydrophobicContact CD1-CD2 4.29Å; L638-L645 HydrophobicContact CD1-CG 3.73Å
639	T	86.3	Confident	86.9	Confident	17 Å²	17	58.2 Å²	58.2	10%	0.104	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-43.3	174.1	-51.7	0	0	0	0	111.5	R634 D635 K636 L641 G642 V643 L662	R634-T639 PolarHBondContact O-OG1 3.38Å; D635-T639 PolarHBondContact O-OG1 2.92Å; K636-T639 WeakPolarHBondContact O-CB 3.43Å; K636-T639 PolarHBondContact O-N 3.35Å; T639-L641 PolarHBondContact O-N 2.9Å; T639-G642 PolarHBondContact O-N 3.22Å; T639-G642 VanDerWaalsContact O-N 3.11Å; T639-V643 PolarHBondContact N-O 3.47Å; T639-L662 HydrophobicContact CG2-CB 3.72Å; T639-L662 HydrophobicContact CG2-CD1 4.1Å; T639-L662 HydrophobicContact CG2-CG 4.43Å
640	E	85.9	Confident	85.8	Confident	106 Å²	106	54.8 Å²	54.8	50%	0.495	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-21.2	176.2	-74	176.1	-168.1	0	0	113.4	K636 L638 R659	K636-E640 WeakPolarHBondContact O-CG 3.43Å; K636-E640 PolarHBondContact O-N 3.1Å; L638-E640 VanDerWaalsContact C-N 3.31Å; L638-E640 PolarHBondContact O-N 3.3Å; E640-R659 WeakPolarHBondContact O-CD 3.38Å; E640-R659 WeakPolarHBondContact O-CG 3.36Å; E640-R659 PolarHBondContact O-NE 3.02Å
641	L	86.5	Confident	85	Confident	124 Å²	124	59.3 Å²	59.3	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	4.6	178	-60.3	176.6	0	0	0	113.4	T637 L638 T639	T637-L641 WeakPolarHBondContact O-CG 3.29Å; L638-L641 HydrophobicContact CD2-CD1 4.44Å; L638-L641 CarbonylContact O-C 3.43Å; L638-L641 WeakPolarHBondContact O-CA 3.47Å; L638-L641 WeakPolarHBondContact O-CB 3.24Å; L638-L641 PolarHBondContact O-N 3.21Å; T639-L641 PolarHBondContact O-N 2.9Å
642	G	87	Confident	84.7	Confident	8 Å²	8	57 Å²	57	8%	0.082	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	23.8	-177.8	0	0	0	0	0	114	L638 T639 V657	L638-G642 PolarHBondContact O-N 3.23Å; T639-G642 PolarHBondContact O-N 3.22Å; T639-G642 VanDerWaalsContact O-N 3.11Å; G642-V657 CarbonylContact C-O 3.57Å; G642-V657 VanDerWaalsContact C-O 3.32Å; G642-V657 WeakPolarHBondContact CA-O 3.3Å; G642-V657 PolarHBondContact O-N 3.37Å
643	V	88.2	Confident	84.5	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.5	-179.3	-177.6	0	0	0	0	109.6	L604 L638 T639 L645 V654 L656	L604-V643 HydrophobicContact CD1-CG1 3.97Å; L604-V643 HydrophobicContact CD1-CG2 3.68Å; L604-V643 HydrophobicContact CD2-CG1 4.21Å; L604-V643 HydrophobicContact CD2-CG2 4.01Å; L638-V643 CarbonylContact C-O 3.56Å; L638-V643 HydrophobicContact CB-CB 4.02Å; L638-V643 HydrophobicContact CB-CG1 4.34Å; L638-V643 HydrophobicContact CD1-CG1 4.49Å; L638-V643 HydrophobicContact CD2-CB 4.35Å; L638-V643 HydrophobicContact CD2-CG1 4.49Å; L638-V643 PolarHBondContact O-N 3.42Å; L638-V643 VanDerWaalsContact O-O 3.1Å; T639-V643 PolarHBondContact N-O 3.47Å; V643-L645 HydrophobicContact CG1-CD2 4.19Å; V643-V654 HydrophobicContact CG1-CG1 4.18Å; V643-L656 HydrophobicContact CG2-CD2 3.93Å
644	R	89.8	Confident	84.4	Confident	37 Å²	37	52.6 Å²	52.6	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.4	172.8	-170.3	-172.3	-65.1	158.8	0.5	109.7	E468 E646 K655 V657 L662 E665	E468-R644 IonicContact OE1-CZ 2.65Å; E468-R644 IonicContact OE1-NH1 2.72Å; E468-R644 PolarHBondContact OE1-NH1 3.05Å; E468-R644 IonicContact OE2-NH1 3.74Å; R644-E646 VanDerWaalsContact CD-OE1 3.29Å; R644-E646 WeakPolarHBondContact CD-OE1 3.47Å; R644-E646 HydrophobicContact CG-CG 4.38Å; R644-E646 IonicContact NH1-OE1 3.11Å; R644-K655 HydrophobicContact CB-CB 4.34Å; R644-K655 PolarHBondContact N-O 2.97Å; R644-K655 PolarHBondContact O-N 2.69Å; R644-V657 HydrophobicContact CB-CG2 4.34Å; R644-L662 HydrophobicContact CB-CD2 4.42Å; R644-E665 IonicContact CZ-OE2 2.65Å; R644-E665 VanDerWaalsContact NH2-CD 3.29Å; R644-E665 IonicContact NH2-OE1 2.66Å; R644-E665 PolarHBondContact NH2-OE1 3.46Å; R644-E665 IonicContact NH2-OE2 3.17Å; R644-E665 PolarHBondContact NH2-OE2 3.45Å
645	L	89.6	Confident	84.3	Confident	9 Å²	9	50.6 Å²	50.6	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.4	169.2	-52.2	-179	0	0	0	110.7	A608 R634 L638 V643 T652 V653 V654	A608-L645 HydrophobicContact CB-CD2 4.36Å; R634-L645 WeakPolarHBondContact CD-O 3.05Å; R634-L645 HydrophobicContact CG-CB 4.01Å; L638-L645 HydrophobicContact CD1-CD1 3.38Å; L638-L645 HydrophobicContact CD1-CD2 4.29Å; L638-L645 HydrophobicContact CD1-CG 3.73Å; V643-L645 HydrophobicContact CG1-CD2 4.19Å; L645-T652 HydrophobicContact CB-CG2 3.72Å; L645-T652 HydrophobicContact CD1-CG2 4.08Å; L645-T652 HydrophobicContact CD2-CG2 4.12Å; L645-T652 HydrophobicContact CG-CG2 4.21Å; L645-V653 VanDerWaalsContact CA-O 3.31Å; L645-V653 WeakPolarHBondContact CA-O 3.5Å; L645-V654 HydrophobicContact CD2-CB 4.22Å; L645-V654 HydrophobicContact CD2-CG1 4.22Å; L645-V654 HydrophobicContact CD2-CG2 3.76Å
646	E	85.9	Confident	84.2	Confident	60 Å²	60	48.9 Å²	48.9	28%	0.28	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.4	176.8	-72.1	174	-159.3	0	0	110.7	R644 R648 V653 K655	R644-E646 VanDerWaalsContact CD-OE1 3.29Å; R644-E646 WeakPolarHBondContact CD-OE1 3.47Å; R644-E646 HydrophobicContact CG-CG 4.38Å; R644-E646 IonicContact NH1-OE1 3.11Å; E646-R648 PolarHBondContact O-N 3.03Å; E646-V653 HydrophobicContact CB-CB 4.29Å; E646-V653 PolarHBondContact N-O 3.07Å; E646-V653 WeakPolarHBondContact O-CB 3.31Å; E646-V653 PolarHBondContact O-N 3.35Å; E646-K655 IonicContact OE1-NZ 2.58Å; E646-K655 PolarHBondContact OE1-NZ 3.44Å; E646-K655 WeakPolarHBondContact OE2-CE 3.5Å; E646-K655 IonicContact OE2-NZ 2.98Å; E646-K655 PolarHBondContact OE2-NZ 3.09Å
647	D	84.4	Confident	84.1	Confident	53 Å²	53	43.9 Å²	43.9	28%	0.283	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.5	178.5	-61.1	-42.6	0	0	0	109.6	R611 R615 R634 Q651 T652	R611-D647 IonicContact CZ-OD1 3.58Å; R611-D647 IonicContact CZ-OD2 3.72Å; R611-D647 IonicContact NH1-OD1 3.75Å; R611-D647 PolarHBondContact NH1-OD1 2.95Å; R611-D647 IonicContact NH1-OD2 2.68Å; R611-D647 IonicContact NH2-OD1 2.83Å; R611-D647 IonicContact NH2-OD2 3.27Å; R611-D647 PolarHBondContact NH2-OD2 3.13Å; R615-D647 IonicContact CZ-OD2 3.41Å; R615-D647 IonicContact NE-OD2 3.8Å; R615-D647 IonicContact NH1-OD2 3.11Å; R615-D647 IonicContact NH2-OD2 3.67Å; R634-D647 IonicContact NH1-OD2 2.99Å; R634-D647 PolarHBondContact NH1-OD2 3.1Å; R634-D647 VanDerWaalsContact NH1-OD2 3.13Å; D647-Q651 CarbonylContact C-O 3.39Å; D647-Q651 WeakPolarHBondContact CA-O 3.22Å; D647-T652 PolarHBondContact OD1-OG1 3.32Å
648	R	78.9	Confident	83.7	Confident	64 Å²	64	41.8 Å²	41.8	24%	0.242	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.8	-177.1	-171	176.4	179.3	152.2	-0.4	110.9	E542 E646 G650 Q651 V653	E542-R648 VanDerWaalsContact CD-NE 3.32Å; E542-R648 IonicContact OE1-CZ 3.65Å; E542-R648 IonicContact OE1-NE 2.68Å; E542-R648 PolarHBondContact OE1-NE 2.89Å; E542-R648 IonicContact OE1-NH2 2.64Å; E542-R648 PolarHBondContact OE1-NH2 3.01Å; E542-R648 IonicContact OE2-CZ 2.72Å; E542-R648 VanDerWaalsContact OE2-CZ 3.23Å; E542-R648 IonicContact OE2-NE 3.22Å; E542-R648 PolarHBondContact OE2-NE 2.98Å; E542-R648 IonicContact OE2-NH2 3.75Å; E542-R648 PolarHBondContact OE2-NH2 3.42Å; E646-R648 PolarHBondContact O-N 3.03Å; R648-G650 VanDerWaalsContact C-N 3.26Å; R648-G650 PolarHBondContact O-N 3.45Å; R648-G650 VanDerWaalsContact O-N 3.16Å; R648-Q651 PolarHBondContact N-O 3.43Å; R648-Q651 PolarHBondContact O-N 2.86Å; R648-Q651 VanDerWaalsContact O-O 3.1Å; R648-V653 HydrophobicContact CB-CG2 4.11Å
649	N	69.1	Low	83.3	Confident	124 Å²	124	48.5 Å²	48.5	66%	0.663	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	39.9	178.3	-64.5	-19.7	0	0	0	115.2	Q651	N649-Q651 VanDerWaalsContact C-N 3.33Å
650	G	68.1	Low	82.8	Confident	60 Å²	60	49.9 Å²	49.9	62%	0.619	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	17.8	-179.5	0	0	0	0	0	114.4	R648	R648-G650 VanDerWaalsContact C-N 3.26Å; R648-G650 PolarHBondContact O-N 3.45Å; R648-G650 VanDerWaalsContact O-N 3.16Å
651	Q	73.8	Confident	82.4	Confident	104 Å²	104	46.4 Å²	46.4	49%	0.486	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.6	173.8	-61.8	-175.5	-2.4	0	0	110.3	D647 R648 N649	D647-Q651 CarbonylContact C-O 3.39Å; D647-Q651 WeakPolarHBondContact CA-O 3.22Å; R648-Q651 PolarHBondContact N-O 3.43Å; R648-Q651 PolarHBondContact O-N 2.86Å; R648-Q651 VanDerWaalsContact O-O 3.1Å; N649-Q651 VanDerWaalsContact C-N 3.33Å
652	T	84.1	Confident	82.1	Confident	13 Å²	13	40.8 Å²	40.8	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.6	174.4	-58.1	0	0	0	0	109.8	R479 A608 R611 L645 D647	R479-T652 PolarHBondContact NH2-O 2.91Å; A608-T652 HydrophobicContact CB-CG2 4.04Å; R611-T652 PolarHBondContact NH1-OG1 3.38Å; L645-T652 HydrophobicContact CB-CG2 3.72Å; L645-T652 HydrophobicContact CD1-CG2 4.08Å; L645-T652 HydrophobicContact CD2-CG2 4.12Å; L645-T652 HydrophobicContact CG-CG2 4.21Å; D647-T652 PolarHBondContact OD1-OG1 3.32Å
653	V	85.5	Confident	81.7	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.2	175	176	0	0	0	0	109.5	D475 L645 E646 R648 K655	D475-V653 HydrophobicContact CB-CG1 4.18Å; L645-V653 VanDerWaalsContact CA-O 3.31Å; L645-V653 WeakPolarHBondContact CA-O 3.5Å; E646-V653 HydrophobicContact CB-CB 4.29Å; E646-V653 PolarHBondContact N-O 3.07Å; E646-V653 WeakPolarHBondContact O-CB 3.31Å; E646-V653 PolarHBondContact O-N 3.35Å; R648-V653 HydrophobicContact CB-CG2 4.11Å; V653-K655 HydrophobicContact CG1-CG 4.02Å
654	V	88.1	Confident	81.1	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.4	178.5	-177.4	0	0	0	0	109.3	R478 M601 L604 A608 V643 L645	R478-V654 PolarHBondContact NH2-O 3.4Å; M601-V654 HydrophobicContact CE-CB 4.04Å; M601-V654 HydrophobicContact CE-CG1 3.87Å; M601-V654 HydrophobicContact SD-CG1 4.2Å; L604-V654 HydrophobicContact CB-CG1 3.75Å; L604-V654 HydrophobicContact CD1-CG1 4Å; A608-V654 HydrophobicContact CB-CG2 3.56Å; V643-V654 HydrophobicContact CG1-CG1 4.18Å; L645-V654 HydrophobicContact CD2-CB 4.22Å; L645-V654 HydrophobicContact CD2-CG1 4.22Å; L645-V654 HydrophobicContact CD2-CG2 3.76Å
655	K	87.6	Confident	80.5	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.5	177.3	-61.7	179.8	177.2	172.9	0	110.2	E468 L471 R644 E646 V653 V657	E468-K655 IonicContact OE2-NZ 2.83Å; E468-K655 PolarHBondContact OE2-NZ 3.48Å; L471-K655 HydrophobicContact CB-CB 4.42Å; L471-K655 HydrophobicContact CB-CD 3.9Å; L471-K655 HydrophobicContact CB-CG 4.03Å; L471-K655 HydrophobicContact CD1-CB 4.24Å; L471-K655 HydrophobicContact CD1-CD 4.16Å; L471-K655 HydrophobicContact CD2-CB 4.45Å; R644-K655 HydrophobicContact CB-CB 4.34Å; R644-K655 PolarHBondContact N-O 2.97Å; R644-K655 PolarHBondContact O-N 2.69Å; E646-K655 IonicContact OE1-NZ 2.58Å; E646-K655 PolarHBondContact OE1-NZ 3.44Å; E646-K655 WeakPolarHBondContact OE2-CE 3.5Å; E646-K655 IonicContact OE2-NZ 2.98Å; E646-K655 PolarHBondContact OE2-NZ 3.09Å; V653-K655 HydrophobicContact CG1-CG 4.02Å; K655-V657 HydrophobicContact CB-CG2 4.29Å
656	L	85.3	Confident	79.8	Confident	43 Å²	43	49 Å²	49	23%	0.225	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.9	168.4	-65.9	-180	0	0	0	108.7	L471 E597 M601 L604 V643	L471-L656 WeakPolarHBondContact CD2-O 3.1Å; E597-L656 HydrophobicContact CB-CD1 3.72Å; E597-L656 HydrophobicContact CG-CD1 3.7Å; M601-L656 HydrophobicContact CG-CD1 4.31Å; M601-L656 HydrophobicContact SD-CD1 3.99Å; M601-L656 HydrophobicContact SD-CG 3.96Å; L604-L656 HydrophobicContact CD1-CD2 3.52Å; V643-L656 HydrophobicContact CG2-CD2 3.93Å
657	V	83.3	Confident	79.4	Confident	10 Å²	10	52.4 Å²	52.4	6%	0.061	27%	0.27	C	S	.	.			trans	-138	145.9	-178.2	-173.6	0	0	0	0	108	L471 G642 R644 K655 R659 T661 L662	L471-V657 HydrophobicContact CD1-CG2 3.85Å; G642-V657 CarbonylContact C-O 3.57Å; G642-V657 VanDerWaalsContact C-O 3.32Å; G642-V657 WeakPolarHBondContact CA-O 3.3Å; G642-V657 PolarHBondContact O-N 3.37Å; R644-V657 HydrophobicContact CB-CG2 4.34Å; K655-V657 HydrophobicContact CB-CG2 4.29Å; V657-R659 PolarHBondContact O-N 3.3Å; V657-T661 HydrophobicContact CG1-CG2 4.23Å; V657-L662 HydrophobicContact CB-CD1 4.1Å; V657-L662 HydrophobicContact CB-CD2 3.88Å; V657-L662 HydrophobicContact CB-CG 3.88Å; V657-L662 HydrophobicContact CG1-CD2 3.78Å; V657-L662 HydrophobicContact CG1-CG 3.91Å; V657-L662 HydrophobicContact CG2-CD2 4.3Å
658	D	79.7	Confident	78.9	Confident	21 Å²	21	56 Å²	56	11%	0.112	29%	0.285	C	S	.	.			trans	-54.1	127.8	175.9	-69.3	-23.9	0	0	0	111.2	S581 E582 A660 T661 L662	S581-D658 WeakPolarHBondContact CA-OD1 3.15Å; S581-D658 WeakPolarHBondContact CB-OD1 3.34Å; S581-D658 PolarHBondContact OG-OD1 2.71Å; E582-D658 PolarHBondContact N-OD2 3.35Å; D658-A660 PolarHBondContact O-N 2.93Å; D658-T661 WeakPolarHBondContact O-CA 3.39Å; D658-T661 WeakPolarHBondContact O-CB 3.46Å; D658-T661 PolarHBondContact O-N 3.34Å; D658-L662 PolarHBondContact O-N 2.86Å
659	R	81.5	Confident	78.8	Confident	149 Å²	149	59.9 Å²	59.9	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-52.2	-45.7	179.2	178.5	-175.8	178.2	-156.6	-2.1	111.3	E640 V657 T661 L662 L663	E640-R659 WeakPolarHBondContact O-CD 3.38Å; E640-R659 WeakPolarHBondContact O-CG 3.36Å; E640-R659 PolarHBondContact O-NE 3.02Å; V657-R659 PolarHBondContact O-N 3.3Å; R659-T661 PolarHBondContact O-N 3.36Å; R659-L662 PolarHBondContact O-N 2.8Å; R659-L663 HydrophobicContact CG-CD1 3.92Å; R659-L663 HydrophobicContact CG-CG 4.32Å; R659-L663 VanDerWaalsContact O-CG 3.32Å; R659-L663 WeakPolarHBondContact O-CG 3.42Å; R659-L663 PolarHBondContact O-N 3.11Å
660	A	77.3	Confident	79	Confident	45 Å²	45	57.7 Å²	57.7	37%	0.372	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-33.2	178.5	0	0	0	0	0	112.7	D658 R664	D658-A660 PolarHBondContact O-N 2.93Å; A660-R664 WeakPolarHBondContact O-CB 3.25Å; A660-R664 VanDerWaalsContact O-CG 3.32Å; A660-R664 WeakPolarHBondContact O-CG 3.25Å; A660-R664 PolarHBondContact O-N 2.87Å; A660-R664 VanDerWaalsContact O-N 3.13Å; A660-R664 PolarHBondContact O-NE 3.11Å
661	T	77.2	Confident	79.4	Confident	33 Å²	33	58.7 Å²	58.7	20%	0.202	29%	0.286	C	S	.	.	H	α-helix	trans	-71.4	-46	176.2	-61.5	0	0	0	0	111	V657 D658 R659 L663 R664 E665	V657-T661 HydrophobicContact CG1-CG2 4.23Å; D658-T661 WeakPolarHBondContact O-CA 3.39Å; D658-T661 WeakPolarHBondContact O-CB 3.46Å; D658-T661 PolarHBondContact O-N 3.34Å; R659-T661 PolarHBondContact O-N 3.36Å; T661-L663 PolarHBondContact O-N 3.13Å; T661-R664 PolarHBondContact O-N 3.45Å; T661-E665 WeakPolarHBondContact O-CG 3.47Å; T661-E665 PolarHBondContact O-N 3.11Å
662	L	80.3	Confident	79.4	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-41.7	177.9	-67.9	-174.5	0	0	0	112.6	T639 R644 V657 D658 R659 E665 Q666	T639-L662 HydrophobicContact CG2-CB 3.72Å; T639-L662 HydrophobicContact CG2-CD1 4.1Å; T639-L662 HydrophobicContact CG2-CG 4.43Å; R644-L662 HydrophobicContact CB-CD2 4.42Å; V657-L662 HydrophobicContact CB-CD1 4.1Å; V657-L662 HydrophobicContact CB-CD2 3.88Å; V657-L662 HydrophobicContact CB-CG 3.88Å; V657-L662 HydrophobicContact CG1-CD2 3.78Å; V657-L662 HydrophobicContact CG1-CG 3.91Å; V657-L662 HydrophobicContact CG2-CD2 4.3Å; D658-L662 PolarHBondContact O-N 2.86Å; R659-L662 PolarHBondContact O-N 2.8Å; L662-E665 PolarHBondContact O-N 2.84Å; L662-Q666 WeakPolarHBondContact O-CB 3.44Å; L662-Q666 PolarHBondContact O-N 3.34Å
663	L	78.1	Confident	79	Confident	65 Å²	65	62.8 Å²	62.8	34%	0.34	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176.7	-68.7	175.5	0	0	0	111.7	R659 T661 E665 Q666 E667	R659-L663 HydrophobicContact CG-CD1 3.92Å; R659-L663 HydrophobicContact CG-CG 4.32Å; R659-L663 VanDerWaalsContact O-CG 3.32Å; R659-L663 WeakPolarHBondContact O-CG 3.42Å; R659-L663 PolarHBondContact O-N 3.11Å; T661-L663 PolarHBondContact O-N 3.13Å; L663-E665 PolarHBondContact O-N 3.31Å; L663-Q666 PolarHBondContact O-N 3.2Å; L663-E667 WeakPolarHBondContact O-CB 3.34Å; L663-E667 PolarHBondContact O-N 2.81Å
664	R	76	Confident	78.7	Confident	79 Å²	79	69.7 Å²	69.7	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-43.5	174.3	-79.5	-174.8	-73.3	-172.1	-4.4	112.2	A660 T661 Q666 E667 Q668	A660-R664 WeakPolarHBondContact O-CB 3.25Å; A660-R664 VanDerWaalsContact O-CG 3.32Å; A660-R664 WeakPolarHBondContact O-CG 3.25Å; A660-R664 PolarHBondContact O-N 2.87Å; A660-R664 VanDerWaalsContact O-N 3.13Å; A660-R664 PolarHBondContact O-NE 3.11Å; T661-R664 PolarHBondContact O-N 3.45Å; R664-Q666 VanDerWaalsContact C-N 3.28Å; R664-Q666 PolarHBondContact O-N 3.39Å; R664-E667 PolarHBondContact O-N 3.29Å; R664-Q668 WeakPolarHBondContact O-CB 3.48Å; R664-Q668 VanDerWaalsContact O-CG 3.25Å; R664-Q668 WeakPolarHBondContact O-CG 3.38Å; R664-Q668 PolarHBondContact O-N 3.07Å
665	E	76.3	Confident	78.2	Confident	35 Å²	35	74.8 Å²	74.8	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-37.3	175.9	-74.7	-175.6	163.4	0	0	112.3	R644 T661 L662 L663 K669	R644-E665 IonicContact CZ-OE2 2.65Å; R644-E665 VanDerWaalsContact NH2-CD 3.29Å; R644-E665 IonicContact NH2-OE1 2.66Å; R644-E665 PolarHBondContact NH2-OE1 3.46Å; R644-E665 IonicContact NH2-OE2 3.17Å; R644-E665 PolarHBondContact NH2-OE2 3.45Å; T661-E665 WeakPolarHBondContact O-CG 3.47Å; T661-E665 PolarHBondContact O-N 3.11Å; L662-E665 PolarHBondContact O-N 2.84Å; L663-E665 PolarHBondContact O-N 3.31Å; E665-K669 WeakPolarHBondContact O-CB 3.42Å; E665-K669 VanDerWaalsContact O-CG 3.29Å; E665-K669 WeakPolarHBondContact O-CG 3.3Å; E665-K669 PolarHBondContact O-N 2.92Å
666	Q	75	Confident	77.7	Confident	54 Å²	54	80.1 Å²	80.1	25%	0.252	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-46.4	177.5	-170.7	169.6	2	0	0	111.3	L662 L663 R664 Q668 K669 D670	L662-Q666 WeakPolarHBondContact O-CB 3.44Å; L662-Q666 PolarHBondContact O-N 3.34Å; L663-Q666 PolarHBondContact O-N 3.2Å; R664-Q666 VanDerWaalsContact C-N 3.28Å; R664-Q666 PolarHBondContact O-N 3.39Å; Q666-Q668 VanDerWaalsContact C-N 3.33Å; Q666-Q668 PolarHBondContact O-N 3.48Å; Q666-K669 PolarHBondContact O-N 3.39Å; Q666-D670 WeakPolarHBondContact O-CB 3.35Å; Q666-D670 PolarHBondContact O-N 3.06Å
667	E	77.5	Confident	77.5	Confident	131 Å²	131	82.2 Å²	82.2	61%	0.612	39%	0.386	S	S	*	.	H	α-helix	trans	-61.1	-41.1	175.9	-173.3	174.5	-159.3	0	0	112	L663 R664 D670 T671	L663-E667 WeakPolarHBondContact O-CB 3.34Å; L663-E667 PolarHBondContact O-N 2.81Å; R664-E667 PolarHBondContact O-N 3.29Å; E667-D670 PolarHBondContact O-N 3.41Å; E667-T671 VanDerWaalsContact O-CB 3.29Å; E667-T671 WeakPolarHBondContact O-CB 3.39Å; E667-T671 PolarHBondContact O-N 2.99Å; E667-T671 PolarHBondContact O-OG1 3.45Å
668	Q	74.1	Confident	77.4	Confident	128 Å²	128	88.2 Å²	88.2	60%	0.598	41%	0.411	S	S	*	.	H	α-helix	trans	-62.9	-45.1	174	-75.8	176.6	-2.3	0	0	112	R664 Q666 D670 T671 E672	R664-Q668 WeakPolarHBondContact O-CB 3.48Å; R664-Q668 VanDerWaalsContact O-CG 3.25Å; R664-Q668 WeakPolarHBondContact O-CG 3.38Å; R664-Q668 PolarHBondContact O-N 3.07Å; Q666-Q668 VanDerWaalsContact C-N 3.33Å; Q666-Q668 PolarHBondContact O-N 3.48Å; Q668-D670 VanDerWaalsContact C-N 3.33Å; Q668-D670 PolarHBondContact O-N 3.36Å; Q668-T671 PolarHBondContact O-N 2.91Å; Q668-E672 VanDerWaalsContact O-CB 3.27Å; Q668-E672 WeakPolarHBondContact O-CB 3.39Å; Q668-E672 PolarHBondContact O-N 2.93Å
669	K	76.2	Confident	77.4	Confident	146 Å²	146	92 Å²	92	64%	0.635	43%	0.428	S	S	*	.	H	α-helix	trans	-61.1	-42.8	175.8	-78.8	174.3	-178	174.3	0	111.7	E665 Q666 E672 K673	E665-K669 WeakPolarHBondContact O-CB 3.42Å; E665-K669 VanDerWaalsContact O-CG 3.29Å; E665-K669 WeakPolarHBondContact O-CG 3.3Å; E665-K669 PolarHBondContact O-N 2.92Å; Q666-K669 PolarHBondContact O-N 3.39Å; K669-E672 PolarHBondContact O-N 3.02Å; K669-K673 VanDerWaalsContact O-CB 3.24Å; K669-K673 WeakPolarHBondContact O-CB 3.15Å; K669-K673 PolarHBondContact O-N 2.69Å
670	D	75.2	Confident	77.5	Confident	78 Å²	78	91.2 Å²	91.2	42%	0.417	43%	0.429	S	S	.	.	H	α-helix	trans	-66.6	-40.7	178.6	-74.5	-16.7	0	0	0	111.5	Q666 E667 Q668 K673 K674	Q666-D670 WeakPolarHBondContact O-CB 3.35Å; Q666-D670 PolarHBondContact O-N 3.06Å; E667-D670 PolarHBondContact O-N 3.41Å; Q668-D670 VanDerWaalsContact C-N 3.33Å; Q668-D670 PolarHBondContact O-N 3.36Å; D670-K673 PolarHBondContact O-N 3.32Å; D670-K674 WeakPolarHBondContact O-CB 3.49Å; D670-K674 VanDerWaalsContact O-CG 3.25Å; D670-K674 WeakPolarHBondContact O-CG 3.46Å; D670-K674 PolarHBondContact O-N 3.08Å
671	T	75.9	Confident	77.7	Confident	82 Å²	82	91.3 Å²	91.3	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-65.6	-45	176.6	-57.9	0	0	0	0	111.2	E667 Q668 K674 R675	E667-T671 VanDerWaalsContact O-CB 3.29Å; E667-T671 WeakPolarHBondContact O-CB 3.39Å; E667-T671 PolarHBondContact O-N 2.99Å; E667-T671 PolarHBondContact O-OG1 3.45Å; Q668-T671 PolarHBondContact O-N 2.91Å; T671-K674 PolarHBondContact O-N 3.22Å; T671-R675 WeakPolarHBondContact O-CB 3.38Å; T671-R675 PolarHBondContact O-N 3.4Å
672	E	72.8	Confident	78	Confident	70 Å²	70	93 Å²	93	33%	0.327	44%	0.437	S	S	.	.	H	α-helix	trans	-65.8	-38.8	176.8	178.4	61.1	-171.6	0	0	112	Q668 K669 R675 K676	Q668-E672 VanDerWaalsContact O-CB 3.27Å; Q668-E672 WeakPolarHBondContact O-CB 3.39Å; Q668-E672 PolarHBondContact O-N 2.93Å; K669-E672 PolarHBondContact O-N 3.02Å; E672-R675 VanDerWaalsContact CD-NH2 3.33Å; E672-R675 WeakPolarHBondContact O-CB 3.23Å; E672-R675 PolarHBondContact O-N 3.31Å; E672-R675 IonicContact OE1-CZ 3.3Å; E672-R675 IonicContact OE1-NE 3.82Å; E672-R675 IonicContact OE1-NH2 2.68Å; E672-R675 PolarHBondContact OE1-NH2 3.36Å; E672-R675 IonicContact OE2-CZ 3.91Å; E672-R675 IonicContact OE2-NE 3.73Å; E672-R675 PolarHBondContact OE2-NE 2.95Å; E672-R675 IonicContact OE2-NH2 3.62Å; E672-R675 PolarHBondContact OE2-NH2 3.3Å; E672-K676 WeakPolarHBondContact O-CG 3.31Å; E672-K676 PolarHBondContact O-N 2.93Å; E672-K676 WeakPolarHBondContact OE1-CE 3.44Å; E672-K676 IonicContact OE1-NZ 3.68Å
673	K	76.8	Confident	78	Confident	133 Å²	133	100.3 Å²	100.3	58%	0.578	47%	0.469	S	S	*	.	H	α-helix	trans	-62.1	-49	173	-174.2	-178.3	177.3	-174.2	0	110.8	K669 D670 R675 K676 D677	K669-K673 VanDerWaalsContact O-CB 3.24Å; K669-K673 WeakPolarHBondContact O-CB 3.15Å; K669-K673 PolarHBondContact O-N 2.69Å; D670-K673 PolarHBondContact O-N 3.32Å; K673-R675 VanDerWaalsContact C-N 3.27Å; K673-R675 PolarHBondContact O-N 2.98Å; K673-K676 PolarHBondContact O-N 2.87Å; K673-D677 WeakPolarHBondContact O-CB 3.04Å; K673-D677 VanDerWaalsContact O-CG 3.22Å; K673-D677 PolarHBondContact O-N 3.2Å
674	K	77.9	Confident	78.3	Confident	150 Å²	150	101.8 Å²	101.8	65%	0.652	47%	0.474	S	S	*	.	H	α-helix	trans	-57.5	-39.9	174.2	-73.7	171.2	-174.6	174.2	0	111.8	D670 T671 K678	D670-K674 WeakPolarHBondContact O-CB 3.49Å; D670-K674 VanDerWaalsContact O-CG 3.25Å; D670-K674 WeakPolarHBondContact O-CG 3.46Å; D670-K674 PolarHBondContact O-N 3.08Å; T671-K674 PolarHBondContact O-N 3.22Å; K674-K678 VanDerWaalsContact O-CB 3.3Å; K674-K678 WeakPolarHBondContact O-CB 3.29Å; K674-K678 PolarHBondContact O-N 3.25Å
675	R	78.8	Confident	78.6	Confident	106 Å²	106	103.1 Å²	103.1	40%	0.4	48%	0.484	S	S	.	.	H	α-helix	trans	-63.2	-49.4	175.9	-169.4	-173.4	69.4	77.1	5	111.4	T671 E672 K673 D677 K678 E679	T671-R675 WeakPolarHBondContact O-CB 3.38Å; T671-R675 PolarHBondContact O-N 3.4Å; E672-R675 VanDerWaalsContact CD-NH2 3.33Å; E672-R675 WeakPolarHBondContact O-CB 3.23Å; E672-R675 PolarHBondContact O-N 3.31Å; E672-R675 IonicContact OE1-CZ 3.3Å; E672-R675 IonicContact OE1-NE 3.82Å; E672-R675 IonicContact OE1-NH2 2.68Å; E672-R675 PolarHBondContact OE1-NH2 3.36Å; E672-R675 IonicContact OE2-CZ 3.91Å; E672-R675 IonicContact OE2-NE 3.73Å; E672-R675 PolarHBondContact OE2-NE 2.95Å; E672-R675 IonicContact OE2-NH2 3.62Å; E672-R675 PolarHBondContact OE2-NH2 3.3Å; K673-R675 VanDerWaalsContact C-N 3.27Å; K673-R675 PolarHBondContact O-N 2.98Å; R675-D677 PolarHBondContact O-N 3.23Å; R675-K678 PolarHBondContact O-N 3.2Å; R675-E679 IonicContact CZ-OE1 3.57Å; R675-E679 IonicContact CZ-OE2 3.95Å; R675-E679 IonicContact NH1-OE1 3.75Å; R675-E679 PolarHBondContact NH1-OE1 3.1Å; R675-E679 IonicContact NH1-OE2 3.77Å; R675-E679 PolarHBondContact NH1-OE2 3.42Å; R675-E679 WeakPolarHBondContact O-CG 3.41Å; R675-E679 PolarHBondContact O-N 2.82Å
676	K	77.8	Confident	78.9	Confident	118 Å²	118	108.5 Å²	108.5	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-40.8	177	-73.4	-178	-175.5	177.3	0	112.4	E672 K673 K678 E679 K680	E672-K676 WeakPolarHBondContact O-CG 3.31Å; E672-K676 PolarHBondContact O-N 2.93Å; E672-K676 WeakPolarHBondContact OE1-CE 3.44Å; E672-K676 IonicContact OE1-NZ 3.68Å; K673-K676 PolarHBondContact O-N 2.87Å; K676-K678 VanDerWaalsContact C-N 3.34Å; K676-E679 PolarHBondContact O-N 3.48Å; K676-K680 VanDerWaalsContact O-CB 3.29Å; K676-K680 WeakPolarHBondContact O-CB 3.26Å; K676-K680 PolarHBondContact O-N 2.99Å
677	D	80.3	Confident	79.1	Confident	87 Å²	87	108.7 Å²	108.7	47%	0.465	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-41.5	177.1	-70.4	-19.8	0	0	0	110.5	K673 R675 K680 A681	K673-D677 WeakPolarHBondContact O-CB 3.04Å; K673-D677 VanDerWaalsContact O-CG 3.22Å; K673-D677 PolarHBondContact O-N 3.2Å; R675-D677 PolarHBondContact O-N 3.23Å; D677-K680 PolarHBondContact O-N 3.44Å; D677-A681 WeakPolarHBondContact O-CB 3.18Å; D677-A681 PolarHBondContact O-N 3.38Å
678	K	81.1	Confident	79.3	Confident	136 Å²	136	111 Å²	111	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-46.5	173	-173	-179.6	179.1	-178	0	112.2	K674 R675 K676 K680 A681 D682	K674-K678 VanDerWaalsContact O-CB 3.3Å; K674-K678 WeakPolarHBondContact O-CB 3.29Å; K674-K678 PolarHBondContact O-N 3.25Å; R675-K678 PolarHBondContact O-N 3.2Å; K676-K678 VanDerWaalsContact C-N 3.34Å; K678-K680 VanDerWaalsContact C-N 3.3Å; K678-K680 PolarHBondContact O-N 3.27Å; K678-A681 PolarHBondContact O-N 2.98Å; K678-D682 WeakPolarHBondContact O-CB 3.31Å; K678-D682 VanDerWaalsContact O-CG 3.28Å; K678-D682 PolarHBondContact O-N 2.84Å
679	E	79.9	Confident	79.6	Confident	102 Å²	102	109 Å²	109	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-61.7	-38.9	176.9	-76.3	-178	161.3	0	0	112.3	R675 K676 K683	R675-E679 IonicContact CZ-OE1 3.57Å; R675-E679 IonicContact CZ-OE2 3.95Å; R675-E679 IonicContact NH1-OE1 3.75Å; R675-E679 PolarHBondContact NH1-OE1 3.1Å; R675-E679 IonicContact NH1-OE2 3.77Å; R675-E679 PolarHBondContact NH1-OE2 3.42Å; R675-E679 WeakPolarHBondContact O-CG 3.41Å; R675-E679 PolarHBondContact O-N 2.82Å; K676-E679 PolarHBondContact O-N 3.48Å; E679-K683 VanDerWaalsContact O-CB 3.27Å; E679-K683 WeakPolarHBondContact O-CB 3.01Å; E679-K683 PolarHBondContact O-N 3.31Å
680	K	82.8	Confident	79.7	Confident	131 Å²	131	108.4 Å²	108.4	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-47	174.1	-174.6	-178.7	173.5	-170.9	0	110.8	K676 D677 K678 K683 E684	K676-K680 VanDerWaalsContact O-CB 3.29Å; K676-K680 WeakPolarHBondContact O-CB 3.26Å; K676-K680 PolarHBondContact O-N 2.99Å; D677-K680 PolarHBondContact O-N 3.44Å; K678-K680 VanDerWaalsContact C-N 3.3Å; K678-K680 PolarHBondContact O-N 3.27Å; K680-K683 PolarHBondContact O-N 3.32Å; K680-E684 WeakPolarHBondContact CE-OE1 3.4Å; K680-E684 WeakPolarHBondContact O-CB 3.3Å; K680-E684 WeakPolarHBondContact O-CG 3.25Å; K680-E684 PolarHBondContact O-N 3.12Å
681	A	82.3	Confident	79.8	Confident	48 Å²	48	107.1 Å²	107.1	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-61.2	-45.2	176.8	0	0	0	0	0	112.1	D677 K678 K683 E684 Q685	D677-A681 WeakPolarHBondContact O-CB 3.18Å; D677-A681 PolarHBondContact O-N 3.38Å; K678-A681 PolarHBondContact O-N 2.98Å; A681-K683 VanDerWaalsContact C-N 3.31Å; A681-K683 PolarHBondContact O-N 3.01Å; A681-E684 PolarHBondContact O-N 2.84Å; A681-Q685 WeakPolarHBondContact O-CB 3.13Å; A681-Q685 PolarHBondContact O-N 2.95Å
682	D	82.8	Confident	79.8	Confident	67 Å²	67	108.6 Å²	108.6	36%	0.358	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-38.7	176.8	-73	-9.6	0	0	0	111.4	K678 K686	K678-D682 WeakPolarHBondContact O-CB 3.31Å; K678-D682 VanDerWaalsContact O-CG 3.28Å; K678-D682 PolarHBondContact O-N 2.84Å; D682-K686 WeakPolarHBondContact O-CB 3.47Å; D682-K686 VanDerWaalsContact O-CG 3.3Å; D682-K686 WeakPolarHBondContact O-CG 3.38Å; D682-K686 PolarHBondContact O-N 2.83Å
683	K	81.4	Confident	79.9	Confident	160 Å²	160	112.5 Å²	112.5	70%	0.696	53%	0.53	S	S	*	.	H	α-helix	trans	-68.5	-41.4	176.3	-170.3	178.3	-178.6	-179.5	0	111.8	E679 K680 A681 A687	E679-K683 VanDerWaalsContact O-CB 3.27Å; E679-K683 WeakPolarHBondContact O-CB 3.01Å; E679-K683 PolarHBondContact O-N 3.31Å; K680-K683 PolarHBondContact O-N 3.32Å; A681-K683 VanDerWaalsContact C-N 3.31Å; A681-K683 PolarHBondContact O-N 3.01Å; K683-A687 WeakPolarHBondContact O-CB 3.39Å; K683-A687 PolarHBondContact O-N 3.27Å
684	E	84.4	Confident	79.7	Confident	96 Å²	96	111.4 Å²	111.4	45%	0.449	53%	0.526	S	S	.	.	H	α-helix	trans	-65.7	-41.3	175.2	-75	177.1	-171	0	0	111.6	K680 A681 A687 R688	K680-E684 WeakPolarHBondContact CE-OE1 3.4Å; K680-E684 WeakPolarHBondContact O-CB 3.3Å; K680-E684 WeakPolarHBondContact O-CG 3.25Å; K680-E684 PolarHBondContact O-N 3.12Å; A681-E684 PolarHBondContact O-N 2.84Å; E684-A687 PolarHBondContact O-N 2.78Å; E684-R688 WeakPolarHBondContact O-CG 3.38Å; E684-R688 PolarHBondContact O-N 3.28Å
685	Q	82.3	Confident	79.4	Confident	107 Å²	107	106.4 Å²	106.4	50%	0.5	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-49.4	175.2	-178.4	176.9	-13	0	0	111.4	A681 A687 R688 E689	A681-Q685 WeakPolarHBondContact O-CB 3.13Å; A681-Q685 PolarHBondContact O-N 2.95Å; Q685-A687 VanDerWaalsContact C-N 3.25Å; Q685-A687 PolarHBondContact O-N 3.37Å; Q685-R688 PolarHBondContact O-N 3.05Å; Q685-R688 VanDerWaalsContact O-N 3.13Å; Q685-E689 HydrophobicContact CG-CG 4.45Å; Q685-E689 WeakPolarHBondContact CG-OE1 3.36Å; Q685-E689 PolarHBondContact NE2-OE1 3.04Å; Q685-E689 WeakPolarHBondContact O-CG 3.41Å; Q685-E689 PolarHBondContact O-N 3.31Å
686	K	80.9	Confident	79.1	Confident	148 Å²	148	104 Å²	104	64%	0.643	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-35.8	176	-75.8	173.6	-179.2	173.3	0	112.5	D682 K690	D682-K686 WeakPolarHBondContact O-CB 3.47Å; D682-K686 VanDerWaalsContact O-CG 3.3Å; D682-K686 WeakPolarHBondContact O-CG 3.38Å; D682-K686 PolarHBondContact O-N 2.83Å; K686-K690 WeakPolarHBondContact O-CB 3.45Å; K686-K690 PolarHBondContact O-N 3.31Å
687	A	81.1	Confident	78.5	Confident	59 Å²	59	99.8 Å²	99.8	49%	0.488	50%	0.503	S	S	.	.	H	α-helix	trans	-67.7	-42.2	175.3	0	0	0	0	0	112.1	K683 E684 Q685 K690 A691	K683-A687 WeakPolarHBondContact O-CB 3.39Å; K683-A687 PolarHBondContact O-N 3.27Å; E684-A687 PolarHBondContact O-N 2.78Å; Q685-A687 VanDerWaalsContact C-N 3.25Å; Q685-A687 PolarHBondContact O-N 3.37Å; A687-K690 PolarHBondContact O-N 3.48Å; A687-A691 WeakPolarHBondContact O-CB 3.47Å; A687-A691 PolarHBondContact O-N 3.41Å
688	R	81.1	Confident	78.1	Confident	178 Å²	178	99.6 Å²	99.6	67%	0.672	50%	0.498	S	S	*	.	H	α-helix	trans	-63.3	-48.6	174.1	-73.3	-179.9	-175.2	-161	3.1	111.8	E684 Q685 K690 A691 D692	E684-R688 WeakPolarHBondContact O-CG 3.38Å; E684-R688 PolarHBondContact O-N 3.28Å; Q685-R688 PolarHBondContact O-N 3.05Å; Q685-R688 VanDerWaalsContact O-N 3.13Å; R688-K690 VanDerWaalsContact C-N 3.27Å; R688-K690 PolarHBondContact O-N 2.83Å; R688-A691 PolarHBondContact O-N 3.43Å; R688-A691 VanDerWaalsContact O-N 3.12Å; R688-D692 WeakPolarHBondContact O-CB 3.32Å; R688-D692 PolarHBondContact O-N 3.47Å
689	E	80.3	Confident	77.8	Confident	88 Å²	88	101.3 Å²	101.3	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-59.4	-38	177.2	-72.8	175.8	-169.3	0	0	112.4	Q685 K693	Q685-E689 HydrophobicContact CG-CG 4.45Å; Q685-E689 WeakPolarHBondContact CG-OE1 3.36Å; Q685-E689 PolarHBondContact NE2-OE1 3.04Å; Q685-E689 WeakPolarHBondContact O-CG 3.41Å; Q685-E689 PolarHBondContact O-N 3.31Å; E689-K693 WeakPolarHBondContact O-CB 3.41Å; E689-K693 VanDerWaalsContact O-CG 3.29Å; E689-K693 WeakPolarHBondContact O-CG 3.25Å; E689-K693 PolarHBondContact O-N 3.45Å
690	K	77.6	Confident	77.7	Confident	133 Å²	133	98.8 Å²	98.8	58%	0.578	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-44.9	174.7	-174	-178.9	174.8	-172.4	0	111.6	K686 A687 R688 K693 E694	K686-K690 WeakPolarHBondContact O-CB 3.45Å; K686-K690 PolarHBondContact O-N 3.31Å; A687-K690 PolarHBondContact O-N 3.48Å; R688-K690 VanDerWaalsContact C-N 3.27Å; R688-K690 PolarHBondContact O-N 2.83Å; K690-K693 PolarHBondContact O-N 3.26Å; K690-E694 WeakPolarHBondContact CE-OE1 3.33Å; K690-E694 WeakPolarHBondContact O-CB 3.4Å; K690-E694 WeakPolarHBondContact O-CG 3.32Å; K690-E694 PolarHBondContact O-N 2.87Å
691	A	77.1	Confident	77.5	Confident	51 Å²	51	97.2 Å²	97.2	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-63.1	-41.1	177.3	0	0	0	0	0	111.9	A687 R688 E694 A695	A687-A691 WeakPolarHBondContact O-CB 3.47Å; A687-A691 PolarHBondContact O-N 3.41Å; R688-A691 PolarHBondContact O-N 3.43Å; R688-A691 VanDerWaalsContact O-N 3.12Å; A691-E694 PolarHBondContact O-N 3.36Å; A691-A695 VanDerWaalsContact O-CB 3.31Å; A691-A695 WeakPolarHBondContact O-CB 3.49Å; A691-A695 PolarHBondContact O-N 2.97Å
692	D	77.4	Confident	77.3	Confident	112 Å²	112	95.2 Å²	95.2	60%	0.599	47%	0.471	S	S	*	.	H	α-helix	trans	-66.5	-41.1	176.9	-70.9	-21.4	0	0	0	111.6	R688 A695 A696	R688-D692 WeakPolarHBondContact O-CB 3.32Å; R688-D692 PolarHBondContact O-N 3.47Å; D692-A695 PolarHBondContact O-N 3.48Å; D692-A696 VanDerWaalsContact O-CB 3.27Å; D692-A696 WeakPolarHBondContact O-CB 3.35Å; D692-A696 PolarHBondContact O-N 2.87Å
693	K	74.3	Confident	77.2	Confident	153 Å²	153	96.4 Å²	96.4	67%	0.665	48%	0.475	S	S	*	.	H	α-helix	trans	-63.4	-41.5	172.9	-77.5	178.8	-177.3	179.4	0	112.3	E689 K690 A697	E689-K693 WeakPolarHBondContact O-CB 3.41Å; E689-K693 VanDerWaalsContact O-CG 3.29Å; E689-K693 WeakPolarHBondContact O-CG 3.25Å; E689-K693 PolarHBondContact O-N 3.45Å; K690-K693 PolarHBondContact O-N 3.26Å; K693-A697 VanDerWaalsContact O-CB 3.32Å; K693-A697 WeakPolarHBondContact O-CB 3.5Å; K693-A697 PolarHBondContact O-N 3.02Å
694	E	71.6	Confident	77	Confident	109 Å²	109	92.4 Å²	92.4	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-42.3	175.9	-76.2	177.2	-176.8	0	0	111.5	K690 A691 A697 K698	K690-E694 WeakPolarHBondContact CE-OE1 3.33Å; K690-E694 WeakPolarHBondContact O-CB 3.4Å; K690-E694 WeakPolarHBondContact O-CG 3.32Å; K690-E694 PolarHBondContact O-N 2.87Å; A691-E694 PolarHBondContact O-N 3.36Å; E694-A697 PolarHBondContact O-N 3.16Å; E694-K698 WeakPolarHBondContact O-CG 3.26Å; E694-K698 PolarHBondContact O-N 3.45Å
695	A	72.9	Confident	76.9	Confident	46 Å²	46	88.9 Å²	88.9	38%	0.38	44%	0.442	S	S	.	.	H	α-helix	trans	-66.1	-39.5	176	0	0	0	0	0	112.5	A691 D692 K698 K699	A691-A695 VanDerWaalsContact O-CB 3.31Å; A691-A695 WeakPolarHBondContact O-CB 3.49Å; A691-A695 PolarHBondContact O-N 2.97Å; D692-A695 PolarHBondContact O-N 3.48Å; A695-K698 PolarHBondContact O-N 2.85Å; A695-K699 PolarHBondContact O-N 2.97Å
696	A	71.7	Confident	76.8	Confident	55 Å²	55	83.8 Å²	83.8	46%	0.455	42%	0.419	S	S	.	.	H	α-helix	trans	-64.9	-43.2	173.4	0	0	0	0	0	111.3	D692 K698 K699	D692-A696 VanDerWaalsContact O-CB 3.27Å; D692-A696 WeakPolarHBondContact O-CB 3.35Å; D692-A696 PolarHBondContact O-N 2.87Å; A696-K698 VanDerWaalsContact C-N 3.3Å; A696-K698 PolarHBondContact O-N 3.28Å; A696-K699 PolarHBondContact O-N 3.36Å
697	A	66.3	Low	76.6	Confident	29 Å²	29	82 Å²	82	24%	0.24	41%	0.411	C	S	.	.	H	α-helix	trans	-61	-37.2	176.1	0	0	0	0	0	112.2	K693 E694 K699 I700 Q748	K693-A697 VanDerWaalsContact O-CB 3.32Å; K693-A697 WeakPolarHBondContact O-CB 3.5Å; K693-A697 PolarHBondContact O-N 3.02Å; E694-A697 PolarHBondContact O-N 3.16Å; A697-K699 PolarHBondContact O-N 2.93Å; A697-I700 PolarHBondContact O-N 3.36Å; A697-Q748 PolarHBondContact O-NE2 3.25Å
698	K	71.4	Confident	76.3	Confident	84 Å²	84	83.4 Å²	83.4	37%	0.365	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-20.9	174.5	-73.6	-175.6	167.6	-145.9	0	114.5	E694 A695 A696 Y752 Q754	E694-K698 WeakPolarHBondContact O-CG 3.26Å; E694-K698 PolarHBondContact O-N 3.45Å; A695-K698 PolarHBondContact O-N 2.85Å; A696-K698 VanDerWaalsContact C-N 3.3Å; A696-K698 PolarHBondContact O-N 3.28Å; K698-Y752 WeakPolarHBondContact O-CD2 3.17Å; K698-Q754 WeakPolarHBondContact CD-OXT 3.47Å; K698-Q754 WeakPolarHBondContact CE-OXT 3.31Å; K698-Q754 VanDerWaalsContact NZ-C 3.28Å; K698-Q754 PolarHBondContact NZ-O 3.16Å; K698-Q754 PolarHBondContact NZ-OXT 3.21Å
699	K	74.1	Confident	76	Confident	171 Å²	171	78 Å²	78	74%	0.743	41%	0.407	S	S	*	.	H	α-helix	trans	-84	-13.9	179.4	-69.7	176.7	-178.7	-179.7	0	113.5	A695 A696 A697 K701	A695-K699 PolarHBondContact O-N 2.97Å; A696-K699 PolarHBondContact O-N 3.36Å; A697-K699 PolarHBondContact O-N 2.93Å; K699-K701 PolarHBondContact O-N 3Å
700	I	77.1	Confident	75.4	Confident	50 Å²	50	81.5 Å²	81.5	26%	0.256	42%	0.424	S	S	.	.	S	Bend	trans	-76.4	114.4	-179.9	-56.1	174.3	0	0	0	108.7	A697 L705 Q748 Y752	A697-I700 PolarHBondContact O-N 3.36Å; I700-L705 HydrophobicContact CG2-CB 4.44Å; I700-L705 HydrophobicContact CG2-CD1 4.27Å; I700-Q748 PolarHBondContact O-NE2 2.98Å; I700-Y752 WeakPolarHBondContact O-CD2 3.21Å
701	K	79.5	Confident	75.3	Confident	97 Å²	97	77.6 Å²	77.6	42%	0.422	41%	0.407	S	S	.	.			trans	-59.1	137.6	173.7	-73	-177.9	-179.7	176.1	0	110.1	K699 E703 E704 L705 Y752	K699-K701 PolarHBondContact O-N 3Å; K701-E703 PolarHBondContact O-N 3.46Å; K701-E703 VanDerWaalsContact O-N 3.17Å; K701-E704 HydrophobicContact CB-CB 4.48Å; K701-E704 HydrophobicContact CB-CG 4.4Å; K701-E704 PolarHBondContact O-N 3.47Å; K701-L705 PolarHBondContact O-N 2.98Å; K701-Y752 HydrophobicContact CG-CE2 3.94Å
702	P	78.3	Confident	75.2	Confident	7 Å²	7	79.8 Å²	79.8	5%	0.045	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-56.3	-35.1	-177.8	-27.3	37.4	0	0	0	113.4	E704 L705 Y745 K749 Y752	P702-E704 PolarHBondContact O-N 3.24Å; P702-L705 WeakPolarHBondContact O-CB 3.4Å; P702-L705 PolarHBondContact O-N 3.07Å; P702-Y745 HydrophobicContact CB-CD2 4.19Å; P702-Y745 HydrophobicContact CB-CE2 3.56Å; P702-Y745 VanDerWaalsContact O-CE2 3.26Å; P702-Y745 WeakPolarHBondContact O-CE2 3.21Å; P702-K749 HydrophobicContact CB-CB 4.25Å; P702-K749 HydrophobicContact CG-CB 3.97Å; P702-K749 HydrophobicContact CG-CG 4.23Å; P702-Y752 HydrophobicContact CG-CG 4.4Å
703	E	79.9	Confident	75.1	Confident	92 Å²	92	77.5 Å²	77.5	43%	0.43	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-70.5	-17.8	-179.3	-51.2	87.1	-176.3	0	0	113.7	K701	K701-E703 PolarHBondContact O-N 3.46Å; K701-E703 VanDerWaalsContact O-N 3.17Å
704	E	78.2	Confident	75.4	Confident	76 Å²	76	75.3 Å²	75.3	36%	0.355	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-103	-9.7	-178.2	-65.8	-178.5	-172.4	0	0	112.9	K701 P702 F706 K707 Q708	K701-E704 HydrophobicContact CB-CB 4.48Å; K701-E704 HydrophobicContact CB-CG 4.4Å; K701-E704 PolarHBondContact O-N 3.47Å; P702-E704 PolarHBondContact O-N 3.24Å; E704-F706 VanDerWaalsContact C-N 3.33Å; E704-F706 PolarHBondContact O-N 2.98Å; E704-K707 PolarHBondContact O-N 3.26Å; E704-Q708 PolarHBondContact O-N 3.36Å; E704-Q708 PolarHBondContact OE2-NE2 3.36Å
705	L	81.4	Confident	76	Confident	21 Å²	21	72.2 Å²	72.2	11%	0.11	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-52	-47.3	-174.2	178.4	65.9	0	0	0	113	I700 K701 P702 K707 H711 V744 Q748	I700-L705 HydrophobicContact CG2-CB 4.44Å; I700-L705 HydrophobicContact CG2-CD1 4.27Å; K701-L705 PolarHBondContact O-N 2.98Å; P702-L705 WeakPolarHBondContact O-CB 3.4Å; P702-L705 PolarHBondContact O-N 3.07Å; L705-K707 VanDerWaalsContact C-N 3.29Å; L705-K707 PolarHBondContact O-N 3.47Å; L705-H711 PolarHBondContact O-CD2 3.37Å; L705-V744 HydrophobicContact CD2-CG1 4.05Å; L705-Q748 HydrophobicContact CB-CG 4.38Å; L705-Q748 HydrophobicContact CD1-CB 4.44Å; L705-Q748 HydrophobicContact CD1-CG 3.93Å; L705-Q748 HydrophobicContact CD2-CB 3.54Å; L705-Q748 HydrophobicContact CD2-CG 3.79Å; L705-Q748 HydrophobicContact CG-CB 4.49Å; L705-Q748 HydrophobicContact CG-CG 4.24Å
706	F	80.5	Confident	76.4	Confident	1 Å²	1	72.8 Å²	72.8	0%	0.004	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-87.4	2.8	-177	-58.8	-73	0	0	0	113.9	E704 H711 Y715 F718 G722 V723 P724 L741 V744 Y745	E704-F706 VanDerWaalsContact C-N 3.33Å; E704-F706 PolarHBondContact O-N 2.98Å; F706-H711 WeakPolarHBondContact O-CB 3.08Å; F706-Y715 HydrophobicContact CD1-CE2 4.44Å; F706-F718 HydrophobicContact CB-CD1 4.37Å; F706-F718 HydrophobicContact CB-CE1 3.82Å; F706-G722 WeakPolarHBondContact CD2-O 3.45Å; F706-V723 HydrophobicContact CE2-CG2 4.39Å; F706-P724 HydrophobicContact CB-CG 3.68Å; F706-P724 HydrophobicContact CD1-CG 4.12Å; F706-P724 VanDerWaalsContact CD2-CD 3.49Å; F706-P724 HydrophobicContact CD2-CG 4.31Å; F706-P724 VanDerWaalsContact CG-CD 3.49Å; F706-P724 HydrophobicContact CG-CG 3.79Å; F706-L741 HydrophobicContact CD1-CD2 4.34Å; F706-L741 HydrophobicContact CE1-CD2 3.74Å; F706-L741 HydrophobicContact CZ-CB 4.3Å; F706-L741 HydrophobicContact CZ-CD2 4.3Å; F706-L741 WeakPolarHBondContact CZ-O 3.24Å; F706-V744 HydrophobicContact CE1-CB 4.43Å; F706-V744 HydrophobicContact CE1-CG1 3.99Å; F706-V744 HydrophobicContact CZ-CB 4.08Å; F706-V744 HydrophobicContact CZ-CG1 3.92Å; F706-Y745 HydrophobicContact CE2-CD2 4.21Å
707	K	76.8	Confident	76.9	Confident	111 Å²	111	76 Å²	76	48%	0.483	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-106.8	-5.1	178.7	-60.5	179.5	-175.8	172.3	0	112.6	E704 L705 V712 F718	E704-K707 PolarHBondContact O-N 3.26Å; L705-K707 VanDerWaalsContact C-N 3.29Å; L705-K707 PolarHBondContact O-N 3.47Å; K707-V712 WeakPolarHBondContact O-CG2 3.15Å; K707-F718 HydrophobicContact CG-CD1 4.46Å; K707-F718 HydrophobicContact CG-CE1 4Å; K707-F718 HydrophobicContact CG-CE2 4.29Å; K707-F718 HydrophobicContact CG-CZ 3.92Å
708	Q	75.1	Confident	77.9	Confident	87 Å²	87	77.6 Å²	77.6	41%	0.407	40%	0.399	S	S	.	.	S	Bend	trans	-129.1	167.3	-176.6	-63.5	-179.6	13.6	0	0	111.6	E704 H711	E704-Q708 PolarHBondContact O-N 3.36Å; E704-Q708 PolarHBondContact OE2-NE2 3.36Å; Q708-H711 PolarHBondContact O-N 2.85Å
709	G	74.1	Confident	78.5	Confident	65 Å²	65	75.9 Å²	75.9	67%	0.67	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	59.2	-135.6	177	0	0	0	0	0	114	H711 V712	G709-H711 PolarHBondContact O-N 3.19Å; G709-V712 WeakPolarHBondContact O-CG2 3.5Å; G709-V712 PolarHBondContact O-N 3.39Å
710	E	68.7	Low	78.7	Confident	162 Å²	162	77.4 Å²	77.4	76%	0.757	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-67.6	-3.8	-176.4	-63	-175.9	172.8	0	0	114.8	K714	E710-K714 WeakPolarHBondContact O-CD 3.43Å; E710-K714 WeakPolarHBondContact O-CE 3.28Å; E710-K714 PolarHBondContact O-NZ 3.47Å
711	H	75.1	Confident	78.8	Confident	51 Å²	51	80 Å²	80	24%	0.236	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-100	-8	179.6	-60.4	-54.4	0	0	0	113.7	L705 F706 Q708 G709 G713 K714 Y715	L705-H711 PolarHBondContact O-CD2 3.37Å; F706-H711 WeakPolarHBondContact O-CB 3.08Å; Q708-H711 PolarHBondContact O-N 2.85Å; G709-H711 PolarHBondContact O-N 3.19Å; H711-G713 PolarHBondContact O-N 3.16Å; H711-K714 PolarHBondContact O-N 3.29Å; H711-Y715 HydrophobicContact CB-CE2 4.24Å
712	V	75.4	Confident	78.6	Confident	96 Å²	96	75.5 Å²	75.5	58%	0.582	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	129.6	175.6	177	0	0	0	0	109.9	K707 G709 K714	K707-V712 WeakPolarHBondContact O-CG2 3.15Å; G709-V712 WeakPolarHBondContact O-CG2 3.5Å; G709-V712 PolarHBondContact O-N 3.39Å; V712-K714 VanDerWaalsContact C-N 3.27Å; V712-K714 PolarHBondContact O-N 2.64Å
713	G	74.5	Confident	78.9	Confident	64 Å²	64	75.3 Å²	75.3	66%	0.66	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	2.5	177.6	0	0	0	0	0	115.5	H711 A728	H711-G713 PolarHBondContact O-N 3.16Å; G713-A728 WeakPolarHBondContact O-CB 3.37Å
714	K	80.8	Confident	79.1	Confident	108 Å²	108	71 Å²	71	47%	0.47	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-19.9	177.3	-69.1	-175.6	178.3	160.5	0	114.2	E710 H711 V712 A728	E710-K714 WeakPolarHBondContact O-CD 3.43Å; E710-K714 WeakPolarHBondContact O-CE 3.28Å; E710-K714 PolarHBondContact O-NZ 3.47Å; H711-K714 PolarHBondContact O-N 3.29Å; V712-K714 VanDerWaalsContact C-N 3.27Å; V712-K714 PolarHBondContact O-N 2.64Å; K714-A728 PolarHBondContact O-N 3.39Å
715	Y	84.6	Confident	79.4	Confident	44 Å²	44	69.1 Å²	69.1	17%	0.173	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.6	-172.8	-52.7	-65.3	0	0	0	111.2	F706 H711 F718 P724 H726 L727 I733 L741	F706-Y715 HydrophobicContact CD1-CE2 4.44Å; H711-Y715 HydrophobicContact CB-CE2 4.24Å; Y715-F718 HydrophobicContact CD2-CE1 4.46Å; Y715-P724 HydrophobicContact CD1-CB 3.46Å; Y715-P724 VanDerWaalsContact CD1-CB 3.46Å; Y715-P724 HydrophobicContact CD1-CG 3.89Å; Y715-P724 HydrophobicContact CD2-CB 3.93Å; Y715-P724 HydrophobicContact CD2-CG 3.42Å; Y715-P724 VanDerWaalsContact CD2-CG 3.42Å; Y715-P724 HydrophobicContact CE1-CB 3.93Å; Y715-P724 HydrophobicContact CE1-CG 4.12Å; Y715-P724 HydrophobicContact CE2-CB 4.34Å; Y715-P724 HydrophobicContact CE2-CG 3.67Å; Y715-P724 HydrophobicContact CG-CB 3.45Å; Y715-P724 VanDerWaalsContact CG-CB 3.45Å; Y715-P724 HydrophobicContact CG-CG 3.53Å; Y715-H726 VanDerWaalsContact CA-O 3.31Å; Y715-H726 WeakPolarHBondContact CA-O 3.27Å; Y715-H726 WeakPolarHBondContact CB-O 3.41Å; Y715-L727 HydrophobicContact CD1-CD2 4.07Å; Y715-L727 HydrophobicContact CE1-CD2 3.9Å; Y715-I733 HydrophobicContact CD1-CD1 3.83Å; Y715-I733 HydrophobicContact CE1-CD1 3.93Å; Y715-L741 HydrophobicContact CE1-CD1 4.44Å
716	S	81.3	Confident	79.5	Confident	57 Å²	57	69.7 Å²	69.7	40%	0.399	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-29	-175.2	59.7	0	0	0	0	113.8	H726 L727	S716-H726 PolarHBondContact N-O 3.26Å; S716-H726 VanDerWaalsContact N-O 3.11Å; S716-H726 WeakPolarHBondContact OG-CB 3.37Å; S716-L727 WeakPolarHBondContact CB-O 3.48Å; S716-L727 PolarHBondContact OG-O 2.91Å
717	K	82.6	Confident	79.6	Confident	124 Å²	124	72.5 Å²	72.5	54%	0.539	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.9	178.6	-66.1	-179.7	-179.8	172.7	0	111.3	P724 T725 H726	K717-P724 WeakPolarHBondContact O-CA 3.44Å; K717-T725 WeakPolarHBondContact CB-OG1 3.45Å; K717-T725 PolarHBondContact O-N 3.46Å; K717-T725 PolarHBondContact O-OG1 3.04Å; K717-H726 HydrophobicContact CB-CB 4.04Å; K717-H726 HydrophobicContact CG-CB 4.47Å; K717-H726 PolarHBondContact O-N 2.96Å
718	F	85.8	Confident	79.9	Confident	62 Å²	62	70.2 Å²	70.2	27%	0.272	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.9	-175.6	-55	-97.1	0	0	0	110.1	F706 K707 Y715 G722 V723 P724	F706-F718 HydrophobicContact CB-CD1 4.37Å; F706-F718 HydrophobicContact CB-CE1 3.82Å; K707-F718 HydrophobicContact CG-CD1 4.46Å; K707-F718 HydrophobicContact CG-CE1 4Å; K707-F718 HydrophobicContact CG-CE2 4.29Å; K707-F718 HydrophobicContact CG-CZ 3.92Å; Y715-F718 HydrophobicContact CD2-CE1 4.46Å; F718-G722 WeakPolarHBondContact CD1-O 3.36Å; F718-V723 CarbonylContact C-O 3.59Å; F718-V723 VanDerWaalsContact CA-O 3.26Å; F718-V723 WeakPolarHBondContact CA-O 3.45Å; F718-P724 HydrophobicContact CD1-CB 4.27Å; F718-P724 HydrophobicContact CD1-CG 3.95Å; F718-P724 HydrophobicContact CE1-CB 4.32Å; F718-P724 HydrophobicContact CE1-CG 3.81Å
719	D	83.9	Confident	80	Confident	47 Å²	47	71.8 Å²	71.8	25%	0.251	39%	0.393	S	S	.	.			trans	-78.6	178.5	171.9	77.5	-2.7	0	0	0	112.1	R721 G722 V723 T725	D719-R721 PolarHBondContact O-N 2.95Å; D719-R721 VanDerWaalsContact O-N 3.13Å; D719-R721 WeakPolarHBondContact OD1-CA 3.21Å; D719-R721 WeakPolarHBondContact OD1-CB 3.16Å; D719-R721 PolarHBondContact OD1-N 3.44Å; D719-R721 IonicContact OD2-CZ 2.68Å; D719-R721 IonicContact OD2-NE 3.76Å; D719-R721 PolarHBondContact OD2-NE 3.49Å; D719-R721 VanDerWaalsContact OD2-NE 3.11Å; D719-R721 IonicContact OD2-NH2 3.76Å; D719-R721 PolarHBondContact OD2-NH2 3.41Å; D719-G722 PolarHBondContact O-N 3.26Å; D719-G722 PolarHBondContact OD1-N 3.34Å; D719-V723 PolarHBondContact N-O 3.48Å; D719-V723 PolarHBondContact OD1-N 2.94Å; D719-T725 HydrophobicContact CB-CG2 4.09Å
720	E	79	Confident	79.9	Confident	204 Å²	204	70.8 Å²	70.8	95%	0.953	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.8	179.4	-64.3	-177.1	172.8	0	0	113.8
721	R	78.3	Confident	80.7	Confident	104 Å²	104	66.2 Å²	66.2	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.7	178	-60.2	173.7	-65.2	172.7	3.2	112	D719 V723 E742 Y745	D719-R721 PolarHBondContact O-N 2.95Å; D719-R721 VanDerWaalsContact O-N 3.13Å; D719-R721 WeakPolarHBondContact OD1-CA 3.21Å; D719-R721 WeakPolarHBondContact OD1-CB 3.16Å; D719-R721 PolarHBondContact OD1-N 3.44Å; D719-R721 IonicContact OD2-CZ 2.68Å; D719-R721 IonicContact OD2-NE 3.76Å; D719-R721 PolarHBondContact OD2-NE 3.49Å; D719-R721 VanDerWaalsContact OD2-NE 3.11Å; D719-R721 IonicContact OD2-NH2 3.76Å; D719-R721 PolarHBondContact OD2-NH2 3.41Å; R721-V723 HydrophobicContact CB-CG2 4.43Å; R721-E742 IonicContact CZ-OE1 2.77Å; R721-E742 IonicContact NH1-OE1 3.8Å; R721-E742 IonicContact NH2-OE1 3.88Å; R721-E742 PolarHBondContact NH2-OE1 2.87Å; R721-Y745 HydrophobicContact CB-CE1 4.47Å; R721-Y745 HydrophobicContact CB-CE2 4.46Å; R721-Y745 WeakPolarHBondContact O-CE2 3.42Å; R721-Y745 PolarHBondContact O-OH 2.92Å
722	G	76.6	Confident	81.2	Confident	3 Å²	3	70.9 Å²	70.9	3%	0.031	39%	0.388	C	S	.	.	S	Bend	trans	88.3	12.6	-176.8	0	0	0	0	0	114.5	F706 F718 D719	F706-G722 WeakPolarHBondContact CD2-O 3.45Å; F718-G722 WeakPolarHBondContact CD1-O 3.36Å; D719-G722 PolarHBondContact O-N 3.26Å; D719-G722 PolarHBondContact OD1-N 3.34Å
723	V	83.9	Confident	81.7	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.012	36%	0.363	C	S	.	.			trans	-84.5	133.1	176.9	-176.7	0	0	0	0	109.9	F706 F718 D719 R721 T725 L741 E742 Y745	F706-V723 HydrophobicContact CE2-CG2 4.39Å; F718-V723 CarbonylContact C-O 3.59Å; F718-V723 VanDerWaalsContact CA-O 3.26Å; F718-V723 WeakPolarHBondContact CA-O 3.45Å; D719-V723 PolarHBondContact N-O 3.48Å; D719-V723 PolarHBondContact OD1-N 2.94Å; R721-V723 HydrophobicContact CB-CG2 4.43Å; V723-T725 PolarHBondContact O-N 2.89Å; V723-L741 HydrophobicContact CG1-CB 3.93Å; V723-E742 HydrophobicContact CG1-CG 4.31Å; V723-Y745 HydrophobicContact CG2-CD1 4.42Å; V723-Y745 HydrophobicContact CG2-CD2 3.83Å; V723-Y745 HydrophobicContact CG2-CE2 4.42Å; V723-Y745 HydrophobicContact CG2-CG 3.82Å
724	P	85.3	Confident	82.2	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	136.2	179.6	-24.4	31.8	0	0	0	113.5	F706 Y715 K717 F718 I733 L741	F706-P724 HydrophobicContact CB-CG 3.68Å; F706-P724 HydrophobicContact CD1-CG 4.12Å; F706-P724 VanDerWaalsContact CD2-CD 3.49Å; F706-P724 HydrophobicContact CD2-CG 4.31Å; F706-P724 VanDerWaalsContact CG-CD 3.49Å; F706-P724 HydrophobicContact CG-CG 3.79Å; Y715-P724 HydrophobicContact CD1-CB 3.46Å; Y715-P724 VanDerWaalsContact CD1-CB 3.46Å; Y715-P724 HydrophobicContact CD1-CG 3.89Å; Y715-P724 HydrophobicContact CD2-CB 3.93Å; Y715-P724 HydrophobicContact CD2-CG 3.42Å; Y715-P724 VanDerWaalsContact CD2-CG 3.42Å; Y715-P724 HydrophobicContact CE1-CB 3.93Å; Y715-P724 HydrophobicContact CE1-CG 4.12Å; Y715-P724 HydrophobicContact CE2-CB 4.34Å; Y715-P724 HydrophobicContact CE2-CG 3.67Å; Y715-P724 HydrophobicContact CG-CB 3.45Å; Y715-P724 VanDerWaalsContact CG-CB 3.45Å; Y715-P724 HydrophobicContact CG-CG 3.53Å; K717-P724 WeakPolarHBondContact O-CA 3.44Å; F718-P724 HydrophobicContact CD1-CB 4.27Å; F718-P724 HydrophobicContact CD1-CG 3.95Å; F718-P724 HydrophobicContact CE1-CB 4.32Å; F718-P724 HydrophobicContact CE1-CG 3.81Å; P724-I733 HydrophobicContact CB-CD1 3.68Å; P724-L741 HydrophobicContact CB-CD1 4.04Å; P724-L741 HydrophobicContact CG-CD1 4.13Å
725	T	82.8	Confident	82.2	Confident	38 Å²	38	71.1 Å²	71.1	23%	0.233	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-24.1	171.9	57.8	0	0	0	0	112.4	K717 D719 V723 I733	K717-T725 WeakPolarHBondContact CB-OG1 3.45Å; K717-T725 PolarHBondContact O-N 3.46Å; K717-T725 PolarHBondContact O-OG1 3.04Å; D719-T725 HydrophobicContact CB-CG2 4.09Å; V723-T725 PolarHBondContact O-N 2.89Å; T725-I733 WeakPolarHBondContact O-CB 3.45Å; T725-I733 WeakPolarHBondContact O-CG1 3.48Å; T725-I733 PolarHBondContact O-N 3.24Å
726	H	84.6	Confident	82	Confident	33 Å²	33	72.7 Å²	72.7	15%	0.153	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.5	-178.3	-63.6	65.4	0	0	0	111.8	Y715 S716 K717 G730 T731	Y715-H726 VanDerWaalsContact CA-O 3.31Å; Y715-H726 WeakPolarHBondContact CA-O 3.27Å; Y715-H726 WeakPolarHBondContact CB-O 3.41Å; S716-H726 PolarHBondContact N-O 3.26Å; S716-H726 VanDerWaalsContact N-O 3.11Å; S716-H726 WeakPolarHBondContact OG-CB 3.37Å; K717-H726 HydrophobicContact CB-CB 4.04Å; K717-H726 HydrophobicContact CG-CB 4.47Å; K717-H726 PolarHBondContact O-N 2.96Å; H726-G730 PolarHBondContact CD2-O 3.01Å; H726-T731 CarbonylContact C-O 3.59Å; H726-T731 WeakPolarHBondContact CA-O 3.3Å; H726-T731 WeakPolarHBondContact CB-O 3.15Å
727	L	82.9	Confident	82	Confident	60 Å²	60	74.2 Å²	74.2	31%	0.314	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	169	171.9	-63.6	179.9	0	0	0	111.3	Y715 S716 D729 G730 T731 I733	Y715-L727 HydrophobicContact CD1-CD2 4.07Å; Y715-L727 HydrophobicContact CE1-CD2 3.9Å; S716-L727 WeakPolarHBondContact CB-O 3.48Å; S716-L727 PolarHBondContact OG-O 2.91Å; L727-D729 WeakPolarHBondContact CB-OD1 3.47Å; L727-D729 PolarHBondContact O-N 2.99Å; L727-G730 PolarHBondContact O-N 3.27Å; L727-T731 PolarHBondContact N-O 3.26Å; L727-I733 HydrophobicContact CD2-CD1 4.21Å; L727-I733 HydrophobicContact CD2-CG1 4Å; L727-I733 HydrophobicContact CG-CG1 4Å
728	A	82	Confident	82	Confident	62 Å²	62	70.5 Å²	70.5	51%	0.512	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.8	-178.4	0	0	0	0	0	114.1	G713 K714 G730	G713-A728 WeakPolarHBondContact O-CB 3.37Å; K714-A728 PolarHBondContact O-N 3.39Å; A728-G730 VanDerWaalsContact C-N 3.26Å; A728-G730 PolarHBondContact O-N 3.04Å
729	D	77.4	Confident	81.8	Confident	120 Å²	120	75 Å²	75	64%	0.642	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	1.3	178.3	63.4	4.4	0	0	0	113.9	L727 T731	L727-D729 WeakPolarHBondContact CB-OD1 3.47Å; L727-D729 PolarHBondContact O-N 2.99Å; D729-T731 WeakPolarHBondContact OD1-CB 3.46Å; D729-T731 WeakPolarHBondContact OD1-CG2 3.16Å; D729-T731 PolarHBondContact OD1-N 3.4Å; D729-T731 PolarHBondContact OD1-OG1 3.09Å
730	G	73.4	Confident	81.8	Confident	44 Å²	44	79.8 Å²	79.8	45%	0.454	41%	0.412	S	S	.	.	S	Bend	trans	85.2	4.7	179.3	0	0	0	0	0	114.7	H726 L727 A728	H726-G730 PolarHBondContact CD2-O 3.01Å; L727-G730 PolarHBondContact O-N 3.27Å; A728-G730 VanDerWaalsContact C-N 3.26Å; A728-G730 PolarHBondContact O-N 3.04Å
731	T	84.8	Confident	82.1	Confident	66 Å²	66	71 Å²	71	41%	0.405	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-75	142.2	173.4	57.8	0	0	0	0	112.1	H726 L727 D729	H726-T731 CarbonylContact C-O 3.59Å; H726-T731 WeakPolarHBondContact CA-O 3.3Å; H726-T731 WeakPolarHBondContact CB-O 3.15Å; L727-T731 PolarHBondContact N-O 3.26Å; D729-T731 WeakPolarHBondContact OD1-CB 3.46Å; D729-T731 WeakPolarHBondContact OD1-CG2 3.16Å; D729-T731 PolarHBondContact OD1-N 3.4Å; D729-T731 PolarHBondContact OD1-OG1 3.09Å
732	E	85	Confident	82.3	Confident	150 Å²	150	69 Å²	69	70%	0.701	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-76	133.1	179.8	-161.8	174.8	-164.6	0	0	111
733	I	85.3	Confident	82.7	Confident	9 Å²	9	76.7 Å²	76.7	5%	0.046	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-73.4	135.1	-176.5	-62.7	172.3	0	0	0	109.6	Y715 P724 T725 L727 Q737 I738 L741	Y715-I733 HydrophobicContact CD1-CD1 3.83Å; Y715-I733 HydrophobicContact CE1-CD1 3.93Å; P724-I733 HydrophobicContact CB-CD1 3.68Å; T725-I733 WeakPolarHBondContact O-CB 3.45Å; T725-I733 WeakPolarHBondContact O-CG1 3.48Å; T725-I733 PolarHBondContact O-N 3.24Å; L727-I733 HydrophobicContact CD2-CD1 4.21Å; L727-I733 HydrophobicContact CD2-CG1 4Å; L727-I733 HydrophobicContact CG-CG1 4Å; I733-Q737 HydrophobicContact CG2-CB 3.38Å; I733-Q737 HydrophobicContact CG2-CG 4.47Å; I733-I738 HydrophobicContact CB-CG1 4.13Å; I733-I738 HydrophobicContact CG2-CG1 3.85Å; I733-I738 WeakPolarHBondContact O-CD1 3.42Å; I733-L741 HydrophobicContact CD1-CD1 4.08Å; I733-L741 HydrophobicContact CG2-CD1 4.48Å
734	T	85.7	Confident	82.6	Confident	78 Å²	78	80 Å²	80	48%	0.479	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63.6	150	-179.4	66.3	0	0	0	0	112.3	S736 Q737 I738	T734-S736 PolarHBondContact O-N 2.97Å; T734-Q737 PolarHBondContact O-N 3.24Å; T734-Q737 VanDerWaalsContact OG1-CD 3.3Å; T734-Q737 WeakPolarHBondContact OG1-CG 3.27Å; T734-Q737 PolarHBondContact OG1-OE1 2.87Å; T734-I738 PolarHBondContact O-N 3.15Å
735	K	80.6	Confident	82.6	Confident	185 Å²	185	80.6 Å²	80.6	80%	0.804	42%	0.421	S	S	*	.	H	α-helix	trans	-54.1	-32.1	178.9	-68.5	-175	179.4	179.3	0	114	K739	K735-K739 PolarHBondContact O-N 2.74Å
736	S	80.8	Confident	82.6	Confident	78 Å²	78	83.1 Å²	83.1	55%	0.545	43%	0.431	S	S	.	.	H	α-helix	trans	-72.5	-32.4	176.5	-176.7	0	0	0	0	113	T734	T734-S736 PolarHBondContact O-N 2.97Å
737	Q	80.9	Confident	82.4	Confident	89 Å²	89	84 Å²	84	42%	0.416	44%	0.444	S	S	.	.	H	α-helix	trans	-78.1	-38	177.2	-74.9	166.1	-37.8	0	0	110.9	I733 T734 K739 K740 L741	I733-Q737 HydrophobicContact CG2-CB 3.38Å; I733-Q737 HydrophobicContact CG2-CG 4.47Å; T734-Q737 PolarHBondContact O-N 3.24Å; T734-Q737 VanDerWaalsContact OG1-CD 3.3Å; T734-Q737 WeakPolarHBondContact OG1-CG 3.27Å; T734-Q737 PolarHBondContact OG1-OE1 2.87Å; Q737-K739 VanDerWaalsContact C-N 3.34Å; Q737-K739 PolarHBondContact O-N 3.35Å; Q737-K740 WeakPolarHBondContact O-CB 3.25Å; Q737-K740 PolarHBondContact O-N 3.48Å; Q737-L741 WeakPolarHBondContact O-CG 3.39Å; Q737-L741 PolarHBondContact O-N 3.04Å
738	I	82.4	Confident	82.4	Confident	46 Å²	46	81.9 Å²	81.9	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-55.4	-48.8	172.3	-67.6	172.8	0	0	0	110.5	I733 T734 K740 L741 E742	I733-I738 HydrophobicContact CB-CG1 4.13Å; I733-I738 HydrophobicContact CG2-CG1 3.85Å; I733-I738 WeakPolarHBondContact O-CD1 3.42Å; T734-I738 PolarHBondContact O-N 3.15Å; I738-K740 PolarHBondContact O-N 3.26Å; I738-L741 PolarHBondContact O-N 3.28Å; I738-E742 HydrophobicContact CG2-CG 4.24Å; I738-E742 WeakPolarHBondContact O-CG 3.43Å; I738-E742 PolarHBondContact O-N 2.79Å
739	K	82.1	Confident	82.4	Confident	156 Å²	156	82.3 Å²	82.3	68%	0.678	42%	0.422	S	S	*	.	H	α-helix	trans	-57.9	-33	176.1	-79	-174.4	176.9	-176.7	0	114	K735 Q737 K743	K735-K739 PolarHBondContact O-N 2.74Å; Q737-K739 VanDerWaalsContact C-N 3.34Å; Q737-K739 PolarHBondContact O-N 3.35Å; K739-K743 PolarHBondContact O-N 3.04Å
740	K	83.6	Confident	82.5	Confident	147 Å²	147	83 Å²	83	64%	0.639	42%	0.42	S	S	*	.	H	α-helix	trans	-71.5	-42	175.6	-73	-179.4	-179.9	179.1	0	111.1	Q737 I738 K743 V744	Q737-K740 WeakPolarHBondContact O-CB 3.25Å; Q737-K740 PolarHBondContact O-N 3.48Å; I738-K740 PolarHBondContact O-N 3.26Å; K740-K743 PolarHBondContact O-N 3.15Å; K740-V744 VanDerWaalsContact O-CG2 3.3Å; K740-V744 WeakPolarHBondContact O-CG2 3.45Å; K740-V744 PolarHBondContact O-N 3.19Å; K740-V744 VanDerWaalsContact O-N 3.14Å
741	L	84.9	Confident	82.8	Confident	21 Å²	21	85.9 Å²	85.9	11%	0.11	42%	0.42	C	S	.	.	H	α-helix	trans	-66.8	-39.2	176.6	-65.6	171.6	0	0	0	111.7	F706 Y715 V723 P724 I733 Q737 I738 K743 V744 Y745	F706-L741 HydrophobicContact CD1-CD2 4.34Å; F706-L741 HydrophobicContact CE1-CD2 3.74Å; F706-L741 HydrophobicContact CZ-CB 4.3Å; F706-L741 HydrophobicContact CZ-CD2 4.3Å; F706-L741 WeakPolarHBondContact CZ-O 3.24Å; Y715-L741 HydrophobicContact CE1-CD1 4.44Å; V723-L741 HydrophobicContact CG1-CB 3.93Å; P724-L741 HydrophobicContact CB-CD1 4.04Å; P724-L741 HydrophobicContact CG-CD1 4.13Å; I733-L741 HydrophobicContact CD1-CD1 4.08Å; I733-L741 HydrophobicContact CG2-CD1 4.48Å; Q737-L741 WeakPolarHBondContact O-CG 3.39Å; Q737-L741 PolarHBondContact O-N 3.04Å; I738-L741 PolarHBondContact O-N 3.28Å; L741-K743 VanDerWaalsContact C-N 3.32Å; L741-K743 PolarHBondContact O-N 3.3Å; L741-V744 WeakPolarHBondContact O-CB 3.49Å; L741-V744 PolarHBondContact O-N 3.4Å; L741-V744 VanDerWaalsContact O-N 3.15Å; L741-Y745 WeakPolarHBondContact O-CB 3.36Å; L741-Y745 PolarHBondContact O-N 3.05Å
742	E	83.6	Confident	82.5	Confident	60 Å²	60	87.5 Å²	87.5	28%	0.28	42%	0.419	S	S	.	.	H	α-helix	trans	-61.6	-38.9	173	-72.8	-176.8	139.5	0	0	112.1	R721 V723 I738 V744 Y745 E746	R721-E742 IonicContact CZ-OE1 2.77Å; R721-E742 IonicContact NH1-OE1 3.8Å; R721-E742 IonicContact NH2-OE1 3.88Å; R721-E742 PolarHBondContact NH2-OE1 2.87Å; V723-E742 HydrophobicContact CG1-CG 4.31Å; I738-E742 HydrophobicContact CG2-CG 4.24Å; I738-E742 WeakPolarHBondContact O-CG 3.43Å; I738-E742 PolarHBondContact O-N 2.79Å; E742-V744 VanDerWaalsContact C-N 3.31Å; E742-V744 PolarHBondContact O-N 3.32Å; E742-Y745 WeakPolarHBondContact O-CB 3.17Å; E742-Y745 PolarHBondContact O-N 3.4Å; E742-E746 WeakPolarHBondContact O-CG 3.43Å; E742-E746 PolarHBondContact O-N 2.68Å
743	K	84	Confident	82.1	Confident	166 Å²	166	87.3 Å²	87.3	72%	0.722	42%	0.418	S	S	*	.	H	α-helix	trans	-64.9	-36.2	175.1	-166.3	176.8	-178	179.5	0	112.2	K739 K740 L741 A747	K739-K743 PolarHBondContact O-N 3.04Å; K740-K743 PolarHBondContact O-N 3.15Å; L741-K743 VanDerWaalsContact C-N 3.32Å; L741-K743 PolarHBondContact O-N 3.3Å; K743-A747 WeakPolarHBondContact O-CB 3.37Å; K743-A747 PolarHBondContact O-N 3.24Å; K743-A747 VanDerWaalsContact O-N 3.09Å
744	V	83.1	Confident	81.1	Confident	70 Å²	70	94.1 Å²	94.1	42%	0.424	45%	0.45	S	S	.	.	H	α-helix	trans	-69.1	-42.1	175.4	174.4	0	0	0	0	110.5	L705 F706 K740 L741 E742 A747 Q748	L705-V744 HydrophobicContact CD2-CG1 4.05Å; F706-V744 HydrophobicContact CE1-CB 4.43Å; F706-V744 HydrophobicContact CE1-CG1 3.99Å; F706-V744 HydrophobicContact CZ-CB 4.08Å; F706-V744 HydrophobicContact CZ-CG1 3.92Å; K740-V744 VanDerWaalsContact O-CG2 3.3Å; K740-V744 WeakPolarHBondContact O-CG2 3.45Å; K740-V744 PolarHBondContact O-N 3.19Å; K740-V744 VanDerWaalsContact O-N 3.14Å; L741-V744 WeakPolarHBondContact O-CB 3.49Å; L741-V744 PolarHBondContact O-N 3.4Å; L741-V744 VanDerWaalsContact O-N 3.15Å; E742-V744 VanDerWaalsContact C-N 3.31Å; E742-V744 PolarHBondContact O-N 3.32Å; V744-A747 PolarHBondContact O-N 3.04Å; V744-Q748 PolarHBondContact O-N 3.44Å
745	Y	84.7	Confident	80.9	Confident	14 Å²	14	94.9 Å²	94.9	6%	0.055	45%	0.448	C	S	.	.	H	α-helix	trans	-59	-51.4	174.1	-179.6	-95	0	0	0	112.1	P702 F706 R721 V723 L741 E742 A747 Q748 K749	P702-Y745 HydrophobicContact CB-CD2 4.19Å; P702-Y745 HydrophobicContact CB-CE2 3.56Å; P702-Y745 VanDerWaalsContact O-CE2 3.26Å; P702-Y745 WeakPolarHBondContact O-CE2 3.21Å; F706-Y745 HydrophobicContact CE2-CD2 4.21Å; R721-Y745 HydrophobicContact CB-CE1 4.47Å; R721-Y745 HydrophobicContact CB-CE2 4.46Å; R721-Y745 WeakPolarHBondContact O-CE2 3.42Å; R721-Y745 PolarHBondContact O-OH 2.92Å; V723-Y745 HydrophobicContact CG2-CD1 4.42Å; V723-Y745 HydrophobicContact CG2-CD2 3.83Å; V723-Y745 HydrophobicContact CG2-CE2 4.42Å; V723-Y745 HydrophobicContact CG2-CG 3.82Å; L741-Y745 WeakPolarHBondContact O-CB 3.36Å; L741-Y745 PolarHBondContact O-N 3.05Å; E742-Y745 WeakPolarHBondContact O-CB 3.17Å; E742-Y745 PolarHBondContact O-N 3.4Å; Y745-A747 VanDerWaalsContact C-N 3.31Å; Y745-A747 PolarHBondContact O-N 2.96Å; Y745-Q748 PolarHBondContact O-N 3Å; Y745-Q748 VanDerWaalsContact O-N 3.1Å; Y745-K749 HydrophobicContact CE1-CD 4.2Å; Y745-K749 WeakPolarHBondContact O-CB 3.42Å; Y745-K749 PolarHBondContact O-N 3.39Å
746	E	82.4	Confident	80.9	Confident	92 Å²	92	90.2 Å²	90.2	43%	0.43	43%	0.43	S	S	.	.	H	α-helix	trans	-64.7	-35.3	-180	-74.2	-60.1	146	0	0	112.2	E742 Q748 K749 K750	E742-E746 WeakPolarHBondContact O-CG 3.43Å; E742-E746 PolarHBondContact O-N 2.68Å; E746-Q748 VanDerWaalsContact C-N 3.35Å; E746-K749 PolarHBondContact O-N 2.96Å; E746-K749 IonicContact OE1-NZ 3.42Å; E746-K750 WeakPolarHBondContact O-CB 3.31Å; E746-K750 PolarHBondContact O-N 3.48Å
747	A	80.7	Confident	80.9	Confident	52 Å²	52	90.8 Å²	90.8	43%	0.43	42%	0.423	S	S	.	.	H	α-helix	trans	-63.4	-40.9	172.5	0	0	0	0	0	111.9	K743 V744 Y745 K751	K743-A747 WeakPolarHBondContact O-CB 3.37Å; K743-A747 PolarHBondContact O-N 3.24Å; K743-A747 VanDerWaalsContact O-N 3.09Å; V744-A747 PolarHBondContact O-N 3.04Å; Y745-A747 VanDerWaalsContact C-N 3.31Å; Y745-A747 PolarHBondContact O-N 2.96Å; A747-K751 WeakPolarHBondContact O-CG 3.44Å; A747-K751 PolarHBondContact O-N 3.26Å; A747-K751 VanDerWaalsContact O-N 3.13Å
748	Q	82.1	Confident	80.9	Confident	14 Å²	14	90.9 Å²	90.9	7%	0.065	42%	0.424	C	S	.	.	H	α-helix	trans	-70	-40.5	175.9	-179.5	60.8	19.7	0	0	112.3	A697 I700 L705 V744 Y745 E746 K750 K751 Y752	A697-Q748 PolarHBondContact O-NE2 3.25Å; I700-Q748 PolarHBondContact O-NE2 2.98Å; L705-Q748 HydrophobicContact CB-CG 4.38Å; L705-Q748 HydrophobicContact CD1-CB 4.44Å; L705-Q748 HydrophobicContact CD1-CG 3.93Å; L705-Q748 HydrophobicContact CD2-CB 3.54Å; L705-Q748 HydrophobicContact CD2-CG 3.79Å; L705-Q748 HydrophobicContact CG-CB 4.49Å; L705-Q748 HydrophobicContact CG-CG 4.24Å; V744-Q748 PolarHBondContact O-N 3.44Å; Y745-Q748 PolarHBondContact O-N 3Å; Y745-Q748 VanDerWaalsContact O-N 3.1Å; E746-Q748 VanDerWaalsContact C-N 3.35Å; Q748-K750 VanDerWaalsContact C-N 3.32Å; Q748-K750 PolarHBondContact O-N 3.49Å; Q748-K751 CarbonylContact O-C 3.5Å; Q748-K751 WeakPolarHBondContact O-CA 3.23Å; Q748-K751 WeakPolarHBondContact O-CB 3.27Å; Q748-K751 PolarHBondContact O-N 3.48Å; Q748-K751 VanDerWaalsContact O-N 3.07Å; Q748-Y752 PolarHBondContact O-N 2.9Å
749	K	82	Confident	80.8	Confident	71 Å²	71	93.8 Å²	93.8	31%	0.309	44%	0.435	S	S	.	.	H	α-helix	trans	-57.5	-45.4	174.8	-174.6	-179.6	178.3	-176.6	0	111.6	P702 Y745 E746 K751 Y752 Q753	P702-K749 HydrophobicContact CB-CB 4.25Å; P702-K749 HydrophobicContact CG-CB 3.97Å; P702-K749 HydrophobicContact CG-CG 4.23Å; Y745-K749 HydrophobicContact CE1-CD 4.2Å; Y745-K749 WeakPolarHBondContact O-CB 3.42Å; Y745-K749 PolarHBondContact O-N 3.39Å; E746-K749 PolarHBondContact O-N 2.96Å; E746-K749 IonicContact OE1-NZ 3.42Å; K749-K751 VanDerWaalsContact C-N 3.32Å; K749-K751 PolarHBondContact O-N 3.4Å; K749-Y752 PolarHBondContact O-N 3.42Å; K749-Q753 WeakPolarHBondContact O-CB 3.46Å; K749-Q753 VanDerWaalsContact O-CG 3.26Å; K749-Q753 WeakPolarHBondContact O-CG 3.43Å; K749-Q753 PolarHBondContact O-N 2.86Å
750	K	80.6	Confident	80.7	Confident	134 Å²	134	89.6 Å²	89.6	58%	0.583	42%	0.419	S	S	*	.	H	α-helix	trans	-62.8	-37.5	174.2	-168.9	175.5	-178.5	178.3	0	112.4	E746 Q748 Q754	E746-K750 WeakPolarHBondContact O-CB 3.31Å; E746-K750 PolarHBondContact O-N 3.48Å; Q748-K750 VanDerWaalsContact C-N 3.32Å; Q748-K750 PolarHBondContact O-N 3.49Å; K750-Q754 VanDerWaalsContact O-CG 3.31Å; K750-Q754 WeakPolarHBondContact O-CG 3.49Å; K750-Q754 PolarHBondContact O-N 3.25Å
751	K	78.8	Confident	80.5	Confident	106 Å²	106	85.5 Å²	85.5	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-68.6	-39.9	175.6	-74.9	177.2	-178.4	-176.7	0	112.9	A747 Q748 K749 Q753 Q754	A747-K751 WeakPolarHBondContact O-CG 3.44Å; A747-K751 PolarHBondContact O-N 3.26Å; A747-K751 VanDerWaalsContact O-N 3.13Å; Q748-K751 CarbonylContact O-C 3.5Å; Q748-K751 WeakPolarHBondContact O-CA 3.23Å; Q748-K751 WeakPolarHBondContact O-CB 3.27Å; Q748-K751 PolarHBondContact O-N 3.48Å; Q748-K751 VanDerWaalsContact O-N 3.07Å; K749-K751 VanDerWaalsContact C-N 3.32Å; K749-K751 PolarHBondContact O-N 3.4Å; K751-Q753 VanDerWaalsContact C-N 3.33Å; K751-Q754 PolarHBondContact O-N 3.36Å
752	Y	80.2	Confident	80.2	Confident	99 Å²	99	90.5 Å²	90.5	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-68.9	-32.2	178.5	-175.2	-96.5	0	0	0	112.3	K698 I700 K701 P702 Q748 K749 Q754	K698-Y752 WeakPolarHBondContact O-CD2 3.17Å; I700-Y752 WeakPolarHBondContact O-CD2 3.21Å; K701-Y752 HydrophobicContact CG-CE2 3.94Å; P702-Y752 HydrophobicContact CG-CG 4.4Å; Q748-Y752 PolarHBondContact O-N 2.9Å; K749-Y752 PolarHBondContact O-N 3.42Å; Y752-Q754 VanDerWaalsContact C-N 3.32Å
753	Q	76.8	Confident	79.9	Confident	146 Å²	146	93 Å²	93	68%	0.682	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.7	177.5	-71	175.5	-13.9	0	0	114.1	K749 K751	K749-Q753 WeakPolarHBondContact O-CB 3.46Å; K749-Q753 VanDerWaalsContact O-CG 3.26Å; K749-Q753 WeakPolarHBondContact O-CG 3.43Å; K749-Q753 PolarHBondContact O-N 2.86Å; K751-Q753 VanDerWaalsContact C-N 3.33Å
754	Q	63.8	Low	79.6	Confident	152 Å²	152	86.4 Å²	86.4	71%	0.71	41%	0.412	S	S	*	.			trans	-103.9	0	179.3	-79	-177.2	-8.1	0	0	112	K698 K750 K751 Y752	K698-Q754 WeakPolarHBondContact CD-OXT 3.47Å; K698-Q754 WeakPolarHBondContact CE-OXT 3.31Å; K698-Q754 VanDerWaalsContact NZ-C 3.28Å; K698-Q754 PolarHBondContact NZ-O 3.16Å; K698-Q754 PolarHBondContact NZ-OXT 3.21Å; K750-Q754 VanDerWaalsContact O-CG 3.31Å; K750-Q754 WeakPolarHBondContact O-CG 3.49Å; K750-Q754 PolarHBondContact O-N 3.25Å; K751-Q754 PolarHBondContact O-N 3.36Å; Y752-Q754 VanDerWaalsContact C-N 3.32Å

Retrieved 754 of 754 residues in 378.7 ms (Link to these results)

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