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E3 ubiquitin-protein ligase TRIM45

E3 ubiquitin-protein ligase that plays a role in the regulation of inflammatory response. Mechanistically, mediates the 'Lys-48'-linked polyubiquitination of TAB2, a regulatory protein of the kinase TAK1, leading to its degradation via the proteasomal pathway and inhibition of the TLR-mediated inflammatory immune response. May act as a transcriptional repressor in mitogen-activated protein kinase signaling pathway.

AlphaFold DB , UniProt , Accession A0A096NE79, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM45, Length 580 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	33.3	Very low	28	Very low	245 Å²	245	169.6 Å²	169.6	100%	1.207	89%	0.891	S	S	*	*				0	126.8	0	-83	-79.1	165.6	0	0	107.5
2	S	30.5	Very low	28	Very low	126 Å²	126	166.3 Å²	166.3	88%	0.881	88%	0.882	S	S	*	*			trans	77	73.3	-170.3	-72.3	0	0	0	0	117.8
3	E	25.8	Very low	27.9	Very low	196 Å²	196	161.1 Å²	161.1	92%	0.916	87%	0.867	S	S	*	*			trans	-79.3	125.3	148.3	-71.5	-180	153.7	0	0	109.1	R5	E3-R5 PolarHBondContact O-N 3.28Å
4	N	27.7	Very low	27.7	Very low	164 Å²	164	164 Å²	164	88%	0.877	87%	0.868	S	S	*	*			trans	-86.2	104.4	-179.5	-126.6	-5.9	0	0	0	109.5	K6	N4-K6 PolarHBondContact O-N 3.28Å
5	R	28.1	Very low	27.8	Very low	241 Å²	241	163.2 Å²	163.2	91%	0.909	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-65	119.6	171.4	-81.9	178.3	170.5	-177.8	-3.6	110.3	E3	E3-R5 PolarHBondContact O-N 3.28Å
6	K	29.3	Very low	27.8	Very low	195 Å²	195	160.4 Å²	160.4	85%	0.848	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-91	144.5	160.7	-75.7	-179	176.9	178.9	0	109.5	N4	N4-K6 PolarHBondContact O-N 3.28Å
7	P	27.2	Very low	28	Very low	120 Å²	120	161.5 Å²	161.5	78%	0.779	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-76.9	139.5	179.7	8.1	6.1	0	0	0	111.7	L9	P7-L9 PolarHBondContact O-N 2.8Å
8	L	28.4	Very low	27.8	Very low	182 Å²	182	155.8 Å²	155.8	95%	0.953	85%	0.849	S	S	*	*			trans	-68.7	104.1	169.8	-75.1	158	0	0	0	109.4
9	L	28.1	Very low	27.8	Very low	160 Å²	160	154.4 Å²	154.4	84%	0.838	85%	0.846	S	S	*	*			trans	-89.6	120.5	162.5	-81.9	161.4	0	0	0	108.2	P7 I11	P7-L9 PolarHBondContact O-N 2.8Å; L9-I11 PolarHBondContact O-N 2.89Å
10	G	24.6	Very low	28.1	Very low	73 Å²	73	151.9 Å²	151.9	75%	0.753	85%	0.847	S	S	*	*			trans	-57	123	178.5	0	0	0	0	0	111.3	V12	G10-V12 PolarHBondContact O-N 3.27Å
11	I	25.4	Very low	28.3	Very low	164 Å²	164	151.8 Å²	151.8	84%	0.841	84%	0.844	S	S	*	*			trans	-74.5	93.5	172.7	-61.8	169.2	0	0	0	106.5	L9 S13	L9-I11 PolarHBondContact O-N 2.89Å; I11-S13 PolarHBondContact O-N 3.32Å
12	V	27.4	Very low	28.1	Very low	130 Å²	130	143 Å²	143	79%	0.788	82%	0.816	S	S	*	*			trans	-68.5	117.5	159	179.6	0	0	0	0	105.9	G10 K14	G10-V12 PolarHBondContact O-N 3.27Å; V12-K14 PolarHBondContact O-N 3.26Å
13	S	26.4	Very low	28.5	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	81%	0.814	S	S	*	*			trans	-56.6	98.6	177.4	45.9	0	0	0	0	110.3	I11 L15	I11-S13 PolarHBondContact O-N 3.32Å; S13-L15 PolarHBondContact O-N 3.17Å
14	K	25.3	Very low	29	Very low	202 Å²	202	140 Å²	140	88%	0.878	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.7	116.6	164.5	-76.4	-178.2	173.8	-177.3	0	108.3	V12	V12-K14 PolarHBondContact O-N 3.26Å
15	L	29.2	Very low	30.3	Very low	152 Å²	152	134.9 Å²	134.9	80%	0.796	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.8	151.2	162.9	-104.4	94.8	0	0	0	109.7	S13 N17	S13-L15 PolarHBondContact O-N 3.17Å; L15-N17 PolarHBondContact O-N 3.29Å
16	P	28.9	Very low	32.2	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.2	-173.2	-15.7	28.9	0	0	0	111.5	G18	P16-G18 PolarHBondContact O-N 3.14Å
17	N	29.7	Very low	34.8	Very low	179 Å²	179	123 Å²	123	96%	0.957	75%	0.746	S	S	*	*			trans	-56.3	94.6	170.4	-138.2	20.9	0	0	0	109.1	L15	L15-N17 PolarHBondContact O-N 3.29Å
18	G	25.9	Very low	37.6	Very low	60 Å²	60	121.2 Å²	121.2	62%	0.619	73%	0.728	S	S	*	*			trans	-107.4	116.8	173.6	0	0	0	0	0	108.6	P16 A20	P16-G18 PolarHBondContact O-N 3.14Å; G18-A20 PolarHBondContact O-N 3.16Å
19	T	27.6	Very low	40.5	Very low	129 Å²	129	112.6 Å²	112.6	79%	0.791	68%	0.683	S	S	*	*			trans	-24.3	122.2	159.6	28.3	0	0	0	0	111.7	L21	T19-L21 PolarHBondContact O-N 3.42Å
20	A	33.6	Very low	43.3	Very low	104 Å²	104	107.8 Å²	107.8	86%	0.86	66%	0.661	S	S	*	*			trans	-63.4	81.9	172	0	0	0	0	0	109.2	G18	G18-A20 PolarHBondContact O-N 3.16Å
21	L	31.4	Very low	46.3	Very low	149 Å²	149	107.7 Å²	107.7	78%	0.78	64%	0.643	S	S	*	*			trans	-81.2	124.9	168	-138.2	80.1	0	0	0	106.7	T19	T19-L21 PolarHBondContact O-N 3.42Å
22	G	30.3	Very low	49.4	Very low	60 Å²	60	103.1 Å²	103.1	62%	0.619	63%	0.625	S	S	*	*			trans	-45.8	153.5	-178	0	0	0	0	0	114.1	S24	G22-S24 PolarHBondContact O-N 3.44Å
23	N	37.8	Very low	52.2	Low	157 Å²	157	103.4 Å²	103.4	84%	0.84	62%	0.621	S	S	*	*	S	Bend	trans	-65	58.7	-171.5	-122.1	12.7	0	0	0	113.8
24	S	36.4	Very low	55	Low	104 Å²	104	100.1 Å²	100.1	73%	0.727	60%	0.603	S	S	*	*	S	Bend	trans	-106.2	100.1	167	61.3	0	0	0	0	109.4	G22	G22-S24 PolarHBondContact O-N 3.44Å
25	G	55.9	Low	57.9	Low	55 Å²	55	93.6 Å²	93.6	57%	0.567	58%	0.577	S	S	*	*			trans	71.2	66.5	156.6	0	0	0	0	0	116.8
26	K	68.2	Low	60.7	Low	173 Å²	173	87.4 Å²	87.4	75%	0.752	54%	0.544	S	S	*	.			trans	-97.5	91.6	152.9	-70.4	-179.2	-176	173.3	0	107.2	H28 F36	K26-H28 PolarHBondContact O-N 3.08Å; K26-H28 VanDerWaalsContact O-N 3.14Å; K26-F36 WeakPolarHBondContact O-CE2 3.47Å
27	T	82.4	Confident	63.4	Low	14 Å²	14	89.4 Å²	89.4	9%	0.086	54%	0.54	C	S	.	.			trans	-67.7	-1.4	171.9	45.9	0	0	0	0	113.8	L35 F36 D120 V121 E124	T27-L35 WeakPolarHBondContact O-CA 3.48Å; T27-F36 VanDerWaalsContact O-CD2 3.3Å; T27-F36 WeakPolarHBondContact O-CD2 3.48Å; T27-F36 PolarHBondContact O-N 3.13Å; T27-D120 HydrophobicContact CG2-CB 3.88Å; T27-V121 HydrophobicContact CG2-CG2 4.29Å; T27-V121 VanDerWaalsContact O-CG2 3.27Å; T27-V121 WeakPolarHBondContact O-CG2 3.27Å; T27-E124 WeakPolarHBondContact CB-OE2 3.34Å; T27-E124 HydrophobicContact CG2-CB 4.18Å; T27-E124 WeakPolarHBondContact CG2-OE2 3.35Å; T27-E124 VanDerWaalsContact OG1-CD 3.28Å; T27-E124 PolarHBondContact OG1-OE1 2.88Å; T27-E124 PolarHBondContact OG1-OE2 3.14Å
28	H	87.5	Confident	66.1	Low	83 Å²	83	83.7 Å²	83.7	38%	0.384	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-109.3	140.6	-173.9	-63.5	69.2	0	0	0	110.8	K26 L33 G34 F36 E124	K26-H28 PolarHBondContact O-N 3.08Å; K26-H28 VanDerWaalsContact O-N 3.14Å; H28-L33 PolarHBondContact CD2-O 3.47Å; H28-G34 CarbonylContact C-O 3.58Å; H28-G34 WeakPolarHBondContact CA-O 2.76Å; H28-F36 WeakPolarHBondContact O-CZ 3.46Å; H28-E124 IonicContact CE1-OE1 3.31Å; H28-E124 IonicContact CE1-OE2 3.41Å
29	C	89.1	Confident	69.2	Low	1 Å²	1	80.9 Å²	80.9	1%	0.007	49%	0.489	C	S	.	.			trans	-73.1	133.3	176.8	179.7	0	0	0	0	111.2	L31 C32 L33 G34 F36 C49	C29-L31 PolarHBondContact O-N 3.39Å; C29-C32 WeakPolarHBondContact CB-SG 2.79Å; C29-L33 WeakPolarHBondContact O-CA 3.39Å; C29-L33 PolarHBondContact O-N 3.03Å; C29-G34 PolarHBondContact N-O 3.41Å; C29-F36 VanDerWaalsContact CA-CE1 3.42Å; C29-F36 HydrophobicContact CB-CD1 3.81Å; C29-F36 HydrophobicContact CB-CE1 3.8Å; C29-C49 VanDerWaalsContact CB-SG 3.51Å
30	P	87	Confident	72.2	Confident	58 Å²	58	76.1 Å²	76.1	38%	0.377	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.4	179.8	26.6	-34.7	0	0	0	113.6	V48 V96	P30-V48 HydrophobicContact CG-CG2 4.1Å; P30-V96 HydrophobicContact CB-CG2 4.18Å; P30-V96 HydrophobicContact CG-CG2 3.89Å
31	L	87.4	Confident	75	Confident	72 Å²	72	73.6 Å²	73.6	38%	0.377	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-51.3	-178.9	-71.7	-178.8	0	0	0	113.5	C29 V48 C52 L56 P95	C29-L31 PolarHBondContact O-N 3.39Å; L31-V48 HydrophobicContact CD1-CG1 3.73Å; L31-V48 HydrophobicContact CG-CG1 4.24Å; L31-C52 HydrophobicContact CB-CB 3.92Å; L31-C52 HydrophobicContact CD1-CB 3.73Å; L31-C52 HydrophobicContact CG-CB 4.47Å; L31-L56 HydrophobicContact CD1-CD2 4.27Å; L31-P95 HydrophobicContact CD1-CB 4.35Å; L31-P95 HydrophobicContact CD1-CG 3.99Å; L31-P95 HydrophobicContact CD2-CB 3.71Å; L31-P95 HydrophobicContact CD2-CG 4.12Å; L31-P95 HydrophobicContact CG-CB 4.18Å; L31-P95 HydrophobicContact CG-CG 4.01Å
32	C	89.4	Confident	77.9	Confident	68 Å²	68	66.6 Å²	66.6	46%	0.459	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.4	-178.9	68.1	0	0	0	0	114	C29 G34	C29-C32 WeakPolarHBondContact CB-SG 2.79Å; C32-G34 PolarHBondContact O-N 3.12Å
33	L	86.7	Confident	80.6	Confident	135 Å²	135	68.3 Å²	68.3	71%	0.707	39%	0.391	S	S	*	.			trans	57.2	4.6	-178.4	-54.3	176.6	0	0	0	115.2	H28 C29	H28-L33 PolarHBondContact CD2-O 3.47Å; C29-L33 WeakPolarHBondContact O-CA 3.39Å; C29-L33 PolarHBondContact O-N 3.03Å
34	G	85.5	Confident	83.1	Confident	30 Å²	30	62.4 Å²	62.4	31%	0.309	36%	0.362	S	S	.	.	S	Bend	trans	-97.1	170.9	174.5	0	0	0	0	0	112.6	H28 C29 C32	H28-G34 CarbonylContact C-O 3.58Å; H28-G34 WeakPolarHBondContact CA-O 2.76Å; C29-G34 PolarHBondContact N-O 3.41Å; C32-G34 PolarHBondContact O-N 3.12Å
35	L	86.1	Confident	85.7	Confident	65 Å²	65	63.2 Å²	63.2	34%	0.34	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-53	142.4	174.2	-65.9	176	0	0	0	111.6	T27 K37 V121 E124	T27-L35 WeakPolarHBondContact O-CA 3.48Å; L35-K37 PolarHBondContact O-N 3.44Å; L35-V121 HydrophobicContact CB-CG1 4.1Å; L35-V121 HydrophobicContact CD1-CG1 4.34Å; L35-V121 HydrophobicContact CD2-CG1 4.48Å; L35-V121 HydrophobicContact CD2-CG2 4.48Å; L35-E124 WeakPolarHBondContact CD2-OE2 3.45Å
36	F	87.9	Confident	87.3	Confident	21 Å²	21	63.2 Å²	63.2	9%	0.092	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-58.5	126.4	-178.8	-73.9	-63.1	0	0	0	112.6	K26 T27 H28 C29 P39 T47 A117 V121	K26-F36 WeakPolarHBondContact O-CE2 3.47Å; T27-F36 VanDerWaalsContact O-CD2 3.3Å; T27-F36 WeakPolarHBondContact O-CD2 3.48Å; T27-F36 PolarHBondContact O-N 3.13Å; H28-F36 WeakPolarHBondContact O-CZ 3.46Å; C29-F36 VanDerWaalsContact CA-CE1 3.42Å; C29-F36 HydrophobicContact CB-CD1 3.81Å; C29-F36 HydrophobicContact CB-CE1 3.8Å; F36-P39 HydrophobicContact CB-CB 3.86Å; F36-P39 HydrophobicContact CB-CG 3.9Å; F36-P39 HydrophobicContact CD1-CB 3.86Å; F36-P39 HydrophobicContact CG-CB 3.89Å; F36-P39 HydrophobicContact CG-CG 4.36Å; F36-T47 HydrophobicContact CD1-CG2 4.34Å; F36-T47 HydrophobicContact CE1-CG2 3.86Å; F36-T47 WeakPolarHBondContact CE1-O 3.22Å; F36-T47 HydrophobicContact CE2-CG2 4.15Å; F36-T47 HydrophobicContact CZ-CG2 3.77Å; F36-T47 WeakPolarHBondContact CZ-O 3.4Å; F36-A117 HydrophobicContact CD2-CB 3.82Å; F36-A117 HydrophobicContact CE2-CB 4.02Å; F36-V121 HydrophobicContact CB-CG2 3.91Å; F36-V121 HydrophobicContact CD2-CG2 4.26Å
37	K	85.8	Confident	88.4	Confident	161 Å²	161	56 Å²	56	70%	0.7	31%	0.313	S	S	*	.	S	Bend	trans	-115.5	113.7	171.6	-65.2	-179.2	-176.9	179.1	0	108.4	L35 C49	L35-K37 PolarHBondContact O-N 3.44Å; K37-C49 PolarHBondContact N-SG 2.74Å
38	A	86.2	Confident	88.9	Confident	58 Å²	58	55.3 Å²	55.3	48%	0.479	31%	0.309	S	S	.	.	S	Bend	trans	45.8	63.1	-172.7	0	0	0	0	0	112.2	T50	A38-T50 WeakPolarHBondContact O-CB 3.41Å; A38-T50 PolarHBondContact O-N 3.41Å; A38-T50 PolarHBondContact O-OG1 2.89Å
39	P	91.1	Very high	89.1	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	137.3	-178.2	26.1	-32	0	0	0	112	F36 T47 V48 I113 D114 A117 V118	F36-P39 HydrophobicContact CB-CB 3.86Å; F36-P39 HydrophobicContact CB-CG 3.9Å; F36-P39 HydrophobicContact CD1-CB 3.86Å; F36-P39 HydrophobicContact CG-CB 3.89Å; F36-P39 HydrophobicContact CG-CG 4.36Å; P39-T47 HydrophobicContact CB-CG2 3.41Å; P39-T47 VanDerWaalsContact CB-CG2 3.41Å; P39-V48 WeakPolarHBondContact CA-O 3.24Å; P39-I113 WeakPolarHBondContact O-CA 3.49Å; P39-D114 HydrophobicContact CB-CB 4.22Å; P39-D114 HydrophobicContact CG-CB 4.33Å; P39-D114 PolarHBondContact O-N 3.5Å; P39-A117 HydrophobicContact CB-CB 4.27Å; P39-A117 HydrophobicContact CG-CB 4.03Å; P39-V118 HydrophobicContact CG-CG2 3.54Å
40	R	91.3	Very high	89.2	Confident	29 Å²	29	51.9 Å²	51.9	11%	0.109	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.8	172.8	-57	-62.5	175.6	161.7	0.8	109.8	T47 V48 T50 L53 V108 K109 L111 T112 I113	R40-T47 WeakPolarHBondContact O-CA 3.49Å; R40-V48 PolarHBondContact N-O 3.02Å; R40-V48 PolarHBondContact O-N 3.14Å; R40-T50 WeakPolarHBondContact CG-OG1 3.42Å; R40-T50 PolarHBondContact NE-OG1 3.3Å; R40-L53 HydrophobicContact CB-CD1 3.65Å; R40-L53 HydrophobicContact CG-CD1 4.05Å; R40-V108 HydrophobicContact CG-CG1 4.49Å; R40-K109 PolarHBondContact NH1-O 3.16Å; R40-K109 PolarHBondContact NH2-O 3.13Å; R40-L111 HydrophobicContact CB-CB 4.04Å; R40-L111 HydrophobicContact CB-CD1 4.41Å; R40-L111 WeakPolarHBondContact CD-O 3.4Å; R40-L111 HydrophobicContact CG-CB 4.28Å; R40-L111 PolarHBondContact NH1-O 3.19Å; R40-T112 CarbonylContact C-O 3.6Å; R40-T112 WeakPolarHBondContact CA-O 3.47Å; R40-I113 VanDerWaalsContact NH1-CG1 3.29Å
41	L	91.9	Very high	89.4	Confident	52 Å²	52	52.7 Å²	52.7	27%	0.272	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.6	173.3	-174.2	64.9	0	0	0	109	T112 D114	L41-T112 PolarHBondContact N-O 2.89Å; L41-D114 HydrophobicContact CB-CB 4.2Å
42	L	90.9	Very high	89.5	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	28%	0.282	C	S	.	.			trans	-82.5	158.2	174.9	-58.5	174.5	0	0	0	110.5	C44 L45 H46 V48 L53 I92 C94 V101 L111	L42-C44 PolarHBondContact O-N 3.33Å; L42-C44 VanDerWaalsContact O-N 3.15Å; L42-L45 WeakPolarHBondContact O-CA 3.09Å; L42-L45 PolarHBondContact O-N 3.25Å; L42-H46 WeakPolarHBondContact CB-O 3.35Å; L42-H46 WeakPolarHBondContact CG-O 3.42Å; L42-H46 PolarHBondContact N-O 3.15Å; L42-V48 HydrophobicContact CD1-CG2 4.36Å; L42-L53 HydrophobicContact CD1-CD2 4.44Å; L42-L53 HydrophobicContact CD2-CD1 4.05Å; L42-L53 HydrophobicContact CD2-CD2 4.23Å; L42-I92 HydrophobicContact CD2-CD1 4.5Å; L42-C94 HydrophobicContact CD1-CB 3.99Å; L42-V101 HydrophobicContact CB-CG2 4.17Å; L42-V101 HydrophobicContact CD1-CG2 4.43Å; L42-V101 HydrophobicContact CD2-CG1 4.07Å; L42-V101 HydrophobicContact CD2-CG2 4.27Å; L42-L111 HydrophobicContact CD2-CD1 3.91Å
43	P	88.6	Confident	89.5	Confident	95 Å²	95	46.4 Å²	46.4	62%	0.617	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.6	175.1	-26.9	35.6	0	0	0	114.5	L45 V101	P43-L45 PolarHBondContact O-N 3.09Å; P43-V101 VanDerWaalsContact CD-CG1 3.47Å; P43-V101 HydrophobicContact CG-CG1 4.02Å
44	C	89.6	Confident	89.6	Confident	34 Å²	34	44.5 Å²	44.5	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	10.2	172.4	63.5	0	0	0	0	114.1	L42 H46 C94 C97 A99	L42-C44 PolarHBondContact O-N 3.33Å; L42-C44 VanDerWaalsContact O-N 3.15Å; C44-H46 PolarHBondContact O-N 3.42Å; C44-H46 PolarHBondContact O-ND1 3Å; C44-H46 PolarHBondContact SG-ND1 3.25Å; C44-C94 PolarHBondContact SG-SG 3.37Å; C44-C97 VanDerWaalsContact SG-SG 3.66Å; C44-A99 HydrophobicContact CB-CB 3.77Å
45	L	90.4	Very high	89.6	Confident	121 Å²	121	50.4 Å²	50.4	63%	0.634	27%	0.268	S	S	*	.	S	Bend	trans	65.9	13.2	178.4	-49.8	178.8	0	0	0	115.7	L42 P43	L42-L45 WeakPolarHBondContact O-CA 3.09Å; L42-L45 PolarHBondContact O-N 3.25Å; P43-L45 PolarHBondContact O-N 3.09Å
46	H	90.5	Very high	89.6	Confident	55 Å²	55	49.3 Å²	49.3	26%	0.255	26%	0.262	S	S	.	.			trans	-89	144.3	171.3	-67.5	102.5	0	0	0	111.6	L42 C44 V96 C97	L42-H46 WeakPolarHBondContact CB-O 3.35Å; L42-H46 WeakPolarHBondContact CG-O 3.42Å; L42-H46 PolarHBondContact N-O 3.15Å; C44-H46 PolarHBondContact O-N 3.42Å; C44-H46 PolarHBondContact O-ND1 3Å; C44-H46 PolarHBondContact SG-ND1 3.25Å; H46-V96 HydrophobicContact CB-CB 4.41Å; H46-V96 HydrophobicContact CB-CG2 4.28Å; H46-V96 WeakPolarHBondContact CD2-CG1 3.5Å; H46-V96 VanDerWaalsContact NE2-CG1 3.31Å; H46-V96 WeakPolarHBondContact NE2-CG1 3.46Å; H46-C97 VanDerWaalsContact CE1-SG 3.54Å; H46-C97 PolarHBondContact ND1-SG 3.43Å; H46-C97 VanDerWaalsContact ND1-SG 3.36Å
47	T	91.8	Very high	89	Confident	21 Å²	21	56.9 Å²	56.9	13%	0.129	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.8	-176.5	-58	0	0	0	0	111.2	F36 P39 R40 D114 A117	F36-T47 HydrophobicContact CD1-CG2 4.34Å; F36-T47 HydrophobicContact CE1-CG2 3.86Å; F36-T47 WeakPolarHBondContact CE1-O 3.22Å; F36-T47 HydrophobicContact CE2-CG2 4.15Å; F36-T47 HydrophobicContact CZ-CG2 3.77Å; F36-T47 WeakPolarHBondContact CZ-O 3.4Å; P39-T47 HydrophobicContact CB-CG2 3.41Å; P39-T47 VanDerWaalsContact CB-CG2 3.41Å; R40-T47 WeakPolarHBondContact O-CA 3.49Å; T47-D114 WeakPolarHBondContact CB-OD2 3.35Å; T47-D114 HydrophobicContact CG2-CB 3.63Å; T47-D114 VanDerWaalsContact CG2-OD2 3.3Å; T47-D114 WeakPolarHBondContact CG2-OD2 3.33Å; T47-D114 PolarHBondContact OG1-OD2 3Å; T47-A117 HydrophobicContact CG2-CB 4Å
48	V	91.7	Very high	88.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.3	-177	-174.7	0	0	0	0	110.3	P30 L31 P39 R40 L42 C52 L53 P95	P30-V48 HydrophobicContact CG-CG2 4.1Å; L31-V48 HydrophobicContact CD1-CG1 3.73Å; L31-V48 HydrophobicContact CG-CG1 4.24Å; P39-V48 WeakPolarHBondContact CA-O 3.24Å; R40-V48 PolarHBondContact N-O 3.02Å; R40-V48 PolarHBondContact O-N 3.14Å; L42-V48 HydrophobicContact CD1-CG2 4.36Å; V48-C52 HydrophobicContact CG1-CB 3.94Å; V48-L53 HydrophobicContact CB-CD1 4.17Å; V48-L53 HydrophobicContact CB-CD2 3.78Å; V48-L53 HydrophobicContact CB-CG 3.81Å; V48-L53 HydrophobicContact CG1-CD2 3.76Å; V48-L53 HydrophobicContact CG1-CG 3.74Å; V48-L53 HydrophobicContact CG2-CD2 4.23Å; V48-P95 HydrophobicContact CG2-CG 4.06Å
49	C	92.6	Very high	88.3	Confident	1 Å²	1	54 Å²	54	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	140.9	175.5	-67.7	0	0	0	0	112.1	C29 K37 T51 C52 L53	C29-C49 VanDerWaalsContact CB-SG 3.51Å; K37-C49 PolarHBondContact N-SG 2.74Å; C49-T51 VanDerWaalsContact C-N 3.3Å; C49-T51 PolarHBondContact O-N 2.87Å; C49-C52 HydrophobicContact CB-CB 4.14Å; C49-C52 PolarHBondContact O-N 3.4Å; C49-L53 PolarHBondContact O-N 2.99Å
50	T	90.9	Very high	87.4	Confident	11 Å²	11	57.9 Å²	57.9	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-51.6	-48	176.6	-60.9	0	0	0	0	111.8	A38 R40 C52 L53 E54 V108 K109	A38-T50 WeakPolarHBondContact O-CB 3.41Å; A38-T50 PolarHBondContact O-N 3.41Å; A38-T50 PolarHBondContact O-OG1 2.89Å; R40-T50 WeakPolarHBondContact CG-OG1 3.42Å; R40-T50 PolarHBondContact NE-OG1 3.3Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 3.02Å; T50-L53 PolarHBondContact O-N 3.45Å; T50-E54 HydrophobicContact CG2-CG 4.48Å; T50-E54 WeakPolarHBondContact O-CG 3.15Å; T50-E54 PolarHBondContact O-N 3.28Å; T50-V108 HydrophobicContact CG2-CG1 4.15Å; T50-K109 HydrophobicContact CG2-CG 4.12Å
51	T	90.7	Very high	85.9	Confident	75 Å²	75	58.5 Å²	58.5	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-29	-178.9	55.5	0	0	0	0	113.2	C49 Q55	C49-T51 VanDerWaalsContact C-N 3.3Å; C49-T51 PolarHBondContact O-N 2.87Å; T51-Q55 WeakPolarHBondContact O-CG 3.41Å
52	C	90.3	Very high	84	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-78.9	-34.9	178.1	-62.7	0	0	0	0	111.2	L31 V48 C49 T50 Q55	L31-C52 HydrophobicContact CB-CB 3.92Å; L31-C52 HydrophobicContact CD1-CB 3.73Å; L31-C52 HydrophobicContact CG-CB 4.47Å; V48-C52 HydrophobicContact CG1-CB 3.94Å; C49-C52 HydrophobicContact CB-CB 4.14Å; C49-C52 PolarHBondContact O-N 3.4Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 3.02Å; C52-Q55 PolarHBondContact O-N 2.81Å
53	L	88.6	Confident	81.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-69.6	-33.9	172.9	-70.3	176.9	0	0	0	112.2	R40 L42 V48 C49 T50 Q55 L56 I92 V108 L111	R40-L53 HydrophobicContact CB-CD1 3.65Å; R40-L53 HydrophobicContact CG-CD1 4.05Å; L42-L53 HydrophobicContact CD1-CD2 4.44Å; L42-L53 HydrophobicContact CD2-CD1 4.05Å; L42-L53 HydrophobicContact CD2-CD2 4.23Å; V48-L53 HydrophobicContact CB-CD1 4.17Å; V48-L53 HydrophobicContact CB-CD2 3.78Å; V48-L53 HydrophobicContact CB-CG 3.81Å; V48-L53 HydrophobicContact CG1-CD2 3.76Å; V48-L53 HydrophobicContact CG1-CG 3.74Å; V48-L53 HydrophobicContact CG2-CD2 4.23Å; C49-L53 PolarHBondContact O-N 2.99Å; T50-L53 PolarHBondContact O-N 3.45Å; L53-Q55 PolarHBondContact O-N 2.69Å; L53-L56 HydrophobicContact CD2-CD1 3.76Å; L53-L56 WeakPolarHBondContact O-CB 3.34Å; L53-L56 PolarHBondContact O-N 3.04Å; L53-I92 HydrophobicContact CD2-CD1 3.98Å; L53-V108 HydrophobicContact CB-CB 4.43Å; L53-V108 HydrophobicContact CB-CG1 3.39Å; L53-V108 HydrophobicContact CB-CG2 4.13Å; L53-V108 HydrophobicContact CD1-CG1 3.91Å; L53-V108 HydrophobicContact CG-CG1 4.32Å; L53-L111 HydrophobicContact CD1-CD1 4.13Å
54	E	88.6	Confident	79.5	Confident	95 Å²	95	69.4 Å²	69.4	44%	0.444	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.8	174.2	-74.5	172.8	166.5	0	0	113.4	T50 V108 K109	T50-E54 HydrophobicContact CG2-CG 4.48Å; T50-E54 WeakPolarHBondContact O-CG 3.15Å; T50-E54 PolarHBondContact O-N 3.28Å; E54-V108 HydrophobicContact CG-CB 4.21Å; E54-V108 HydrophobicContact CG-CG1 4.27Å; E54-V108 HydrophobicContact CG-CG2 4.48Å; E54-K109 WeakPolarHBondContact OE1-CE 3.47Å; E54-K109 IonicContact OE1-NZ 2.91Å
55	Q	85.7	Confident	77.2	Confident	155 Å²	155	77.4 Å²	77.4	72%	0.724	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.4	177.3	-71.3	170.6	-2.1	0	0	113.2	T51 C52 L53	T51-Q55 WeakPolarHBondContact O-CG 3.41Å; C52-Q55 PolarHBondContact O-N 2.81Å; L53-Q55 PolarHBondContact O-N 2.69Å
56	L	85.8	Confident	74.6	Confident	42 Å²	42	74.9 Å²	74.9	22%	0.22	40%	0.401	C	S	.	.	S	Bend	trans	-76.2	140.7	177.7	-62.1	178	0	0	0	110.2	L31 L53 P58 I92	L31-L56 HydrophobicContact CD1-CD2 4.27Å; L53-L56 HydrophobicContact CD2-CD1 3.76Å; L53-L56 WeakPolarHBondContact O-CB 3.34Å; L53-L56 PolarHBondContact O-N 3.04Å; L56-P58 WeakPolarHBondContact O-CD 2.88Å; L56-I92 HydrophobicContact CB-CG2 4.45Å; L56-I92 HydrophobicContact CD1-CD1 4.31Å
57	E	76.3	Confident	72	Confident	180 Å²	180	75.2 Å²	75.2	84%	0.841	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-67.8	116.1	177.4	-69.4	-172	167.5	0	0	110.3
58	P	79.1	Confident	69.2	Low	87 Å²	87	81.7 Å²	81.7	57%	0.565	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-77.5	138.3	176.2	-4.4	21.9	0	0	0	110	L56 I90 G91	L56-P58 WeakPolarHBondContact O-CD 2.88Å; P58-I90 HydrophobicContact CB-CG2 3.26Å; P58-I90 HydrophobicContact CG-CG2 4.46Å; P58-G91 WeakPolarHBondContact CA-O 3.41Å
59	F	78.6	Confident	66.7	Low	72 Å²	72	86.3 Å²	86.3	32%	0.316	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.6	172.3	56.8	-86.2	0	0	0	110.9	V61 I90 G91 L93 Q100	F59-V61 HydrophobicContact CD2-CG2 3.93Å; F59-V61 HydrophobicContact CE2-CG2 3.73Å; F59-I90 WeakPolarHBondContact O-CA 3.32Å; F59-G91 VanDerWaalsContact CD1-O 3.27Å; F59-G91 WeakPolarHBondContact CD1-O 2.93Å; F59-G91 WeakPolarHBondContact CE1-O 3.16Å; F59-G91 PolarHBondContact N-O 2.63Å; F59-G91 PolarHBondContact O-N 2.97Å; F59-L93 HydrophobicContact CE1-CD2 4.01Å; F59-L93 HydrophobicContact CE1-CG 3.85Å; F59-L93 HydrophobicContact CZ-CD2 3.95Å; F59-L93 HydrophobicContact CZ-CG 4.31Å; F59-Q100 HydrophobicContact CE2-CG 4.45Å; F59-Q100 HydrophobicContact CZ-CG 4.11Å
60	S	71.5	Confident	63.9	Low	82 Å²	82	93.5 Å²	93.5	57%	0.573	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	120	173.9	-65.1	0	0	0	0	109.3	V62	S60-V62 PolarHBondContact O-N 3.17Å
61	V	59.4	Low	61.3	Low	42 Å²	42	100.2 Å²	100.2	26%	0.255	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.1	106.2	172.8	-173.2	0	0	0	0	107.4	F59 Q89	F59-V61 HydrophobicContact CD2-CG2 3.93Å; F59-V61 HydrophobicContact CE2-CG2 3.73Å; V61-Q89 PolarHBondContact N-O 3.27Å
62	V	51.5	Low	58.6	Low	114 Å²	114	100.5 Å²	100.5	69%	0.691	58%	0.583	S	S	*	*			trans	-85.3	110.3	164.6	-171.8	0	0	0	0	106.1	S60 I64	S60-V62 PolarHBondContact O-N 3.17Å; V62-I64 HydrophobicContact CG1-CG1 4.17Å; V62-I64 PolarHBondContact O-N 2.92Å
63	D	44.7	Very low	56	Low	115 Å²	115	106.2 Å²	106.2	62%	0.615	62%	0.624	S	S	*	*			trans	-70.1	76.9	179.1	-148.7	24.5	0	0	0	109.1	R65	D63-R65 PolarHBondContact O-N 2.94Å; D63-R65 VanDerWaalsContact O-N 3.09Å; D63-R65 IonicContact OD2-NE 3.26Å; D63-R65 PolarHBondContact OD2-NE 3.15Å; D63-R65 IonicContact OD2-NH2 3.71Å
64	I	41.2	Very low	53.3	Low	148 Å²	148	115.3 Å²	115.3	76%	0.759	67%	0.666	S	S	*	*			trans	-79.1	84.3	164.5	-54.2	179.2	0	0	0	105.5	V62 G66	V62-I64 HydrophobicContact CG1-CG1 4.17Å; V62-I64 PolarHBondContact O-N 2.92Å; I64-G66 VanDerWaalsContact C-N 3.28Å; I64-G66 PolarHBondContact O-N 3.26Å
65	R	40.8	Very low	50.5	Low	203 Å²	203	114.2 Å²	114.2	77%	0.766	68%	0.68	S	S	*	*			trans	-63.4	97.4	164.2	-72.6	-173.1	-170.8	-137.9	-0.8	107.7	D63 G67	D63-R65 PolarHBondContact O-N 2.94Å; D63-R65 VanDerWaalsContact O-N 3.09Å; D63-R65 IonicContact OD2-NE 3.26Å; D63-R65 PolarHBondContact OD2-NE 3.15Å; D63-R65 IonicContact OD2-NH2 3.71Å; R65-G67 PolarHBondContact O-N 3.34Å
66	G	35.5	Very low	47.9	Very low	67 Å²	67	113 Å²	113	69%	0.691	69%	0.688	S	S	*	*			trans	-59.5	114.1	157.6	0	0	0	0	0	107.6	I64	I64-G66 VanDerWaalsContact C-N 3.28Å; I64-G66 PolarHBondContact O-N 3.26Å
67	G	37.1	Very low	45.3	Very low	62 Å²	62	118.2 Å²	118.2	64%	0.639	72%	0.715	S	S	*	*			trans	-61.3	139	159.2	0	0	0	0	0	108.4	R65	R65-G67 PolarHBondContact O-N 3.34Å
68	D	31.8	Very low	43.1	Very low	157 Å²	157	118.9 Å²	118.9	84%	0.84	72%	0.716	S	S	*	*				-164.7	127.8	117.9	-89.3	-21.3	0	0	0	112
69	S	39.2	Very low	40.7	Very low	97 Å²	97	124 Å²	124	68%	0.678	73%	0.732	S	S	*	*			trans	58.3	108.9	143.6	60.5	0	0	0	0	122.1
70	D	35.3	Very low	38.4	Very low	152 Å²	152	128.8 Å²	128.8	81%	0.813	76%	0.755	S	S	*	*				59.6	110.9	118.1	-58	-19.8	0	0	0	120.6
71	T	35.7	Very low	36.6	Very low	152 Å²	152	133.6 Å²	133.6	93%	0.933	77%	0.774	S	S	*	*				-162.2	128.4	118.4	15.4	0	0	0	0	109.4
72	G	33.2	Very low	35.2	Very low	82 Å²	82	140.6 Å²	140.6	85%	0.845	80%	0.801	S	S	*	*			trans	-78.3	160.8	-167.2	0	0	0	0	0	115.5
73	S	35.5	Very low	34.3	Very low	126 Å²	126	141.2 Å²	141.2	88%	0.881	81%	0.807	S	S	*	*			trans	-166.4	153.8	138.5	-162.4	0	0	0	0	109.5
74	E	33.5	Very low	33.9	Very low	191 Å²	191	147.2 Å²	147.2	89%	0.893	82%	0.821	S	S	*	*			trans	-79.2	150.1	-154.8	-56.2	-177.7	141	0	0	115.6
75	G	28.8	Very low	33.8	Very low	72 Å²	72	144.5 Å²	144.5	74%	0.742	82%	0.815	S	S	*	*			trans	83.8	97.8	134.3	0	0	0	0	0	119.3
76	S	32.1	Very low	34	Very low	129 Å²	129	143.3 Å²	143.3	90%	0.902	82%	0.823	S	S	*	*				-171.9	142.9	114.2	-84.3	0	0	0	0	112.3
77	I	31.2	Very low	34.6	Very low	152 Å²	152	145.9 Å²	145.9	78%	0.779	82%	0.817	S	S	*	*			trans	-90.5	150.4	-167.1	-66.7	164.7	0	0	0	109.7
78	F	29.4	Very low	35.5	Very low	195 Å²	195	147.5 Å²	147.5	86%	0.855	82%	0.819	S	S	*	*			trans	88.8	88.9	176.8	-78.3	-81.7	0	0	0	117.4
79	Q	29.1	Very low	37	Very low	193 Å²	193	145.6 Å²	145.6	90%	0.902	81%	0.805	S	S	*	*			trans	-135.3	120	144.4	-159.8	130.6	22	0	0	110
80	E	30.4	Very low	38.9	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	79%	0.793	S	S	*	*			trans	-56.5	136.1	-177.9	-68.6	176.5	146.9	0	0	112.5	K82	E80-K82 PolarHBondContact O-N 3.2Å; E80-K82 VanDerWaalsContact O-N 3.17Å
81	L	33.7	Very low	41.3	Very low	183 Å²	183	137.7 Å²	137.7	96%	0.958	75%	0.754	S	S	*	*			trans	-61.6	106.9	169.4	-70.8	147.5	0	0	0	110
82	K	29	Very low	43.8	Very low	189 Å²	189	130.5 Å²	130.5	82%	0.822	71%	0.71	S	S	*	*			trans	-95.9	137.4	154	-89.6	-177.7	178.4	175.5	0	109.6	E80 R84	E80-K82 PolarHBondContact O-N 3.2Å; E80-K82 VanDerWaalsContact O-N 3.17Å; K82-R84 PolarHBondContact O-N 3.45Å
83	P	34	Very low	46.5	Very low	126 Å²	126	130.9 Å²	130.9	82%	0.818	69%	0.692	S	S	*	*			trans	-64.8	131.5	-176.5	-13.6	27.1	0	0	0	111.2	S85	P83-S85 PolarHBondContact O-N 3.34Å; P83-S85 VanDerWaalsContact O-N 3.16Å
84	R	35.2	Very low	49.1	Very low	242 Å²	242	124.9 Å²	124.9	91%	0.913	65%	0.65	S	S	*	*			trans	-71.5	100.9	172.8	-71.9	179	176	-179.8	-1.2	109.7	K82 L86	K82-R84 PolarHBondContact O-N 3.45Å; R84-L86 PolarHBondContact O-N 3.22Å
85	S	39.6	Very low	51.6	Low	90 Å²	90	118 Å²	118	63%	0.629	62%	0.622	S	S	*	*			trans	-74.9	111.6	157.4	56.7	0	0	0	0	108.3	P83 Q87	P83-S85 PolarHBondContact O-N 3.34Å; P83-S85 VanDerWaalsContact O-N 3.16Å; S85-Q87 VanDerWaalsContact C-N 3.32Å; S85-Q87 PolarHBondContact O-N 2.92Å
86	L	44.6	Very low	54.4	Low	179 Å²	179	118 Å²	118	94%	0.937	61%	0.608	S	S	*	*			trans	-60.9	94.9	163.6	-84.4	142.9	0	0	0	108.2	R84	R84-L86 PolarHBondContact O-N 3.22Å
87	Q	48.8	Very low	57.2	Low	120 Å²	120	114.7 Å²	114.7	56%	0.561	58%	0.584	S	S	*	*			trans	-103.3	117.7	168.2	-101	171.2	-21.5	0	0	107.8	S85 Q89	S85-Q87 VanDerWaalsContact C-N 3.32Å; S85-Q87 PolarHBondContact O-N 2.92Å; Q87-Q89 PolarHBondContact O-N 3.17Å
88	S	54.8	Low	59.9	Low	97 Å²	97	113.3 Å²	113.3	68%	0.678	58%	0.578	S	S	*	*			trans	-55.6	107.7	168.6	-49.2	0	0	0	0	108.5
89	Q	64.8	Low	62.7	Low	117 Å²	117	105.6 Å²	105.6	55%	0.547	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.1	127.1	174.6	-75.9	178.1	-12.6	0	0	108.3	V61 Q87	V61-Q89 PolarHBondContact N-O 3.27Å; Q87-Q89 PolarHBondContact O-N 3.17Å
90	I	79.3	Confident	65.6	Low	82 Å²	82	101.4 Å²	101.4	42%	0.421	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.9	178.3	-60.7	173.4	0	0	0	107	P58 F59 L103	P58-I90 HydrophobicContact CB-CG2 3.26Å; P58-I90 HydrophobicContact CG-CG2 4.46Å; F59-I90 WeakPolarHBondContact O-CA 3.32Å; I90-L103 HydrophobicContact CG2-CD1 4.28Å; I90-L103 VanDerWaalsContact O-CB 3.23Å; I90-L103 WeakPolarHBondContact O-CB 3.37Å; I90-L103 PolarHBondContact O-N 3.27Å
91	G	84.9	Confident	68.2	Low	0 Å²	0	93.2 Å²	93.2	0%	0	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	159.8	179	0	0	0	0	0	112.8	P58 F59 V101	P58-G91 WeakPolarHBondContact CA-O 3.41Å; F59-G91 VanDerWaalsContact CD1-O 3.27Å; F59-G91 WeakPolarHBondContact CD1-O 2.93Å; F59-G91 WeakPolarHBondContact CE1-O 3.16Å; F59-G91 PolarHBondContact N-O 2.63Å; F59-G91 PolarHBondContact O-N 2.97Å; G91-V101 CarbonylContact C-O 3.57Å; G91-V101 VanDerWaalsContact CA-O 3.3Å; G91-V101 WeakPolarHBondContact CA-O 3.16Å
92	I	88.9	Confident	70.8	Confident	2 Å²	2	88.3 Å²	88.3	1%	0.01	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157.1	169.4	59	170.8	0	0	0	110	L42 L53 L56 V101 L103	L42-I92 HydrophobicContact CD2-CD1 4.5Å; L53-I92 HydrophobicContact CD2-CD1 3.98Å; L56-I92 HydrophobicContact CB-CG2 4.45Å; L56-I92 HydrophobicContact CD1-CD1 4.31Å; I92-V101 HydrophobicContact CG1-CB 4.03Å; I92-V101 HydrophobicContact CG1-CG1 4.42Å; I92-V101 PolarHBondContact N-O 3.03Å; I92-V101 PolarHBondContact O-N 3.31Å; I92-L103 HydrophobicContact CD1-CD2 3.9Å; I92-L103 HydrophobicContact CG1-CD2 3.98Å; I92-L103 HydrophobicContact CG1-CG 4.35Å; I92-L103 HydrophobicContact CG2-CD1 3.95Å; I92-L103 HydrophobicContact CG2-CG 4.4Å
93	L	89.2	Confident	73.4	Confident	89 Å²	89	80.4 Å²	80.4	47%	0.466	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.6	172.3	-63.6	-179.9	0	0	0	110.4	F59 Q100	F59-L93 HydrophobicContact CE1-CD2 4.01Å; F59-L93 HydrophobicContact CE1-CG 3.85Å; F59-L93 HydrophobicContact CZ-CD2 3.95Å; F59-L93 HydrophobicContact CZ-CG 4.31Å; L93-Q100 HydrophobicContact CD2-CB 4.4Å
94	C	89.4	Confident	75.7	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.41	C	S	.	.			trans	-66.7	124.7	173.1	177.5	0	0	0	0	110.2	L42 C44 V96 D98 A99 V101	L42-C94 HydrophobicContact CD1-CB 3.99Å; C44-C94 PolarHBondContact SG-SG 3.37Å; C94-V96 PolarHBondContact O-N 3.42Å; C94-D98 WeakPolarHBondContact O-CA 3.02Å; C94-D98 PolarHBondContact O-N 3.41Å; C94-A99 HydrophobicContact CB-CB 4.35Å; C94-A99 WeakPolarHBondContact CB-O 3.47Å; C94-A99 PolarHBondContact N-O 2.76Å; C94-V101 HydrophobicContact CB-CG2 4.49Å
95	P	86.3	Confident	77.6	Confident	47 Å²	47	73 Å²	73	31%	0.305	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.4	-176.9	30.7	-38.2	0	0	0	114.7	L31 V48	L31-P95 HydrophobicContact CD1-CB 4.35Å; L31-P95 HydrophobicContact CD1-CG 3.99Å; L31-P95 HydrophobicContact CD2-CB 3.71Å; L31-P95 HydrophobicContact CD2-CG 4.12Å; L31-P95 HydrophobicContact CG-CB 4.18Å; L31-P95 HydrophobicContact CG-CG 4.01Å; V48-P95 HydrophobicContact CG2-CG 4.06Å
96	V	88.2	Confident	79.3	Confident	73 Å²	73	71 Å²	71	44%	0.442	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-36.1	-176.6	-171.8	0	0	0	0	112.3	P30 H46 C94	P30-V96 HydrophobicContact CB-CG2 4.18Å; P30-V96 HydrophobicContact CG-CG2 3.89Å; H46-V96 HydrophobicContact CB-CB 4.41Å; H46-V96 HydrophobicContact CB-CG2 4.28Å; H46-V96 WeakPolarHBondContact CD2-CG1 3.5Å; H46-V96 VanDerWaalsContact NE2-CG1 3.31Å; H46-V96 WeakPolarHBondContact NE2-CG1 3.46Å; C94-V96 PolarHBondContact O-N 3.42Å
97	C	90.3	Very high	81.1	Confident	59 Å²	59	63.7 Å²	63.7	40%	0.399	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	4.8	-174.6	63.3	0	0	0	0	113.6	C44 H46 A99	C44-C97 VanDerWaalsContact SG-SG 3.66Å; H46-C97 VanDerWaalsContact CE1-SG 3.54Å; H46-C97 PolarHBondContact ND1-SG 3.43Å; H46-C97 VanDerWaalsContact ND1-SG 3.36Å; C97-A99 PolarHBondContact O-N 3.48Å; C97-A99 VanDerWaalsContact SG-CB 3.56Å
98	D	88.5	Confident	82.8	Confident	122 Å²	122	58.7 Å²	58.7	65%	0.652	34%	0.344	S	S	*	.			trans	56.4	14	-178	-59	-32.7	0	0	0	115.1	C94 Q100	C94-D98 WeakPolarHBondContact O-CA 3.02Å; C94-D98 PolarHBondContact O-N 3.41Å; D98-Q100 PolarHBondContact O-N 3.44Å
99	A	88.8	Confident	84.2	Confident	34 Å²	34	60.6 Å²	60.6	28%	0.281	34%	0.34	S	S	.	.			trans	-63.2	134.3	174.3	0	0	0	0	0	110.7	C44 C94 C97	C44-A99 HydrophobicContact CB-CB 3.77Å; C94-A99 HydrophobicContact CB-CB 4.35Å; C94-A99 WeakPolarHBondContact CB-O 3.47Å; C94-A99 PolarHBondContact N-O 2.76Å; C97-A99 PolarHBondContact O-N 3.48Å; C97-A99 VanDerWaalsContact SG-CB 3.56Å
100	Q	88.6	Confident	85.1	Confident	105 Å²	105	57.6 Å²	57.6	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.2	171.2	175.6	176.1	-19.5	0	0	110.2	F59 L93 D98 D102	F59-Q100 HydrophobicContact CE2-CG 4.45Å; F59-Q100 HydrophobicContact CZ-CG 4.11Å; L93-Q100 HydrophobicContact CD2-CB 4.4Å; D98-Q100 PolarHBondContact O-N 3.44Å; Q100-D102 PolarHBondContact NE2-OD1 3.39Å
101	V	86.4	Confident	85.5	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.9	177	178.5	0	0	0	0	109.2	L42 P43 G91 I92 C94	L42-V101 HydrophobicContact CB-CG2 4.17Å; L42-V101 HydrophobicContact CD1-CG2 4.43Å; L42-V101 HydrophobicContact CD2-CG1 4.07Å; L42-V101 HydrophobicContact CD2-CG2 4.27Å; P43-V101 VanDerWaalsContact CD-CG1 3.47Å; P43-V101 HydrophobicContact CG-CG1 4.02Å; G91-V101 CarbonylContact C-O 3.57Å; G91-V101 VanDerWaalsContact CA-O 3.3Å; G91-V101 WeakPolarHBondContact CA-O 3.16Å; I92-V101 HydrophobicContact CG1-CB 4.03Å; I92-V101 HydrophobicContact CG1-CG1 4.42Å; I92-V101 PolarHBondContact N-O 3.03Å; I92-V101 PolarHBondContact O-N 3.31Å; C94-V101 HydrophobicContact CB-CG2 4.49Å
102	D	87.2	Confident	85.6	Confident	80 Å²	80	59 Å²	59	43%	0.428	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.5	175.9	-54.5	-40.9	0	0	0	109.9	Q100	Q100-D102 PolarHBondContact NE2-OD1 3.39Å
103	L	83.6	Confident	85.6	Confident	23 Å²	23	61.9 Å²	61.9	12%	0.12	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-83.1	133.5	-179.1	-64.3	178.9	0	0	0	111.1	I90 I92 V108 L111	I90-L103 HydrophobicContact CG2-CD1 4.28Å; I90-L103 VanDerWaalsContact O-CB 3.23Å; I90-L103 WeakPolarHBondContact O-CB 3.37Å; I90-L103 PolarHBondContact O-N 3.27Å; I92-L103 HydrophobicContact CD1-CD2 3.9Å; I92-L103 HydrophobicContact CG1-CD2 3.98Å; I92-L103 HydrophobicContact CG1-CG 4.35Å; I92-L103 HydrophobicContact CG2-CD1 3.95Å; I92-L103 HydrophobicContact CG2-CG 4.4Å; L103-V108 HydrophobicContact CD1-CG2 4.2Å; L103-V108 HydrophobicContact CD2-CG2 4.11Å; L103-L111 HydrophobicContact CD2-CD1 4.01Å; L103-L111 HydrophobicContact CD2-CG 4.43Å
104	P	82.8	Confident	85.6	Confident	51 Å²	51	58.8 Å²	58.8	33%	0.331	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-66.1	166.4	172.1	27.4	-33.6	0	0	0	111.5	G106 G107 A110 L111	P104-G106 PolarHBondContact O-N 3.38Å; P104-G107 WeakPolarHBondContact O-CA 3.32Å; P104-G107 PolarHBondContact O-N 3.28Å; P104-A110 HydrophobicContact CB-CB 4.09Å; P104-A110 HydrophobicContact CG-CB 3.55Å; P104-L111 HydrophobicContact CG-CD2 4.35Å
105	M	75.3	Confident	85.4	Confident	162 Å²	162	62.3 Å²	62.3	80%	0.798	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.4	-177.7	-68.8	-62.1	-63.7	0	0	114.9	G107	M105-G107 VanDerWaalsContact C-N 3.31Å
106	G	74	Confident	85.3	Confident	49 Å²	49	65.6 Å²	65.6	51%	0.505	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	13.3	173.9	0	0	0	0	0	114.8	P104	P104-G106 PolarHBondContact O-N 3.38Å
107	G	83.8	Confident	85.1	Confident	25 Å²	25	62.4 Å²	62.4	26%	0.258	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	61.3	-153.3	-176.9	0	0	0	0	0	113.2	P104 M105 K109 A110	P104-G107 WeakPolarHBondContact O-CA 3.32Å; P104-G107 PolarHBondContact O-N 3.28Å; M105-G107 VanDerWaalsContact C-N 3.31Å; G107-K109 PolarHBondContact O-N 3.18Å; G107-K109 VanDerWaalsContact O-N 3.12Å; G107-A110 PolarHBondContact O-N 3.49Å
108	V	83.9	Confident	84.8	Confident	15 Å²	15	62.1 Å²	62.1	9%	0.091	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-53.3	-34.5	178.8	175.8	0	0	0	0	112.7	R40 T50 L53 E54 L103 A110 L111	R40-V108 HydrophobicContact CG-CG1 4.49Å; T50-V108 HydrophobicContact CG2-CG1 4.15Å; L53-V108 HydrophobicContact CB-CB 4.43Å; L53-V108 HydrophobicContact CB-CG1 3.39Å; L53-V108 HydrophobicContact CB-CG2 4.13Å; L53-V108 HydrophobicContact CD1-CG1 3.91Å; L53-V108 HydrophobicContact CG-CG1 4.32Å; E54-V108 HydrophobicContact CG-CB 4.21Å; E54-V108 HydrophobicContact CG-CG1 4.27Å; E54-V108 HydrophobicContact CG-CG2 4.48Å; L103-V108 HydrophobicContact CD1-CG2 4.2Å; L103-V108 HydrophobicContact CD2-CG2 4.11Å; V108-A110 PolarHBondContact O-N 3.43Å; V108-L111 HydrophobicContact CG1-CD1 4.4Å; V108-L111 WeakPolarHBondContact O-CB 3.41Å; V108-L111 PolarHBondContact O-N 3.03Å
109	K	84.1	Confident	84.5	Confident	136 Å²	136	58.6 Å²	58.6	59%	0.591	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-70.4	-17.7	-178	-65.6	-176	-173.9	178.2	0	113.9	R40 T50 E54 G107	R40-K109 PolarHBondContact NH1-O 3.16Å; R40-K109 PolarHBondContact NH2-O 3.13Å; T50-K109 HydrophobicContact CG2-CG 4.12Å; E54-K109 WeakPolarHBondContact OE1-CE 3.47Å; E54-K109 IonicContact OE1-NZ 2.91Å; G107-K109 PolarHBondContact O-N 3.18Å; G107-K109 VanDerWaalsContact O-N 3.12Å
110	A	84.2	Confident	84.1	Confident	54 Å²	54	59.7 Å²	59.7	45%	0.446	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-91.5	-2.6	176.1	0	0	0	0	0	113.2	P104 G107 V108	P104-A110 HydrophobicContact CB-CB 4.09Å; P104-A110 HydrophobicContact CG-CB 3.55Å; G107-A110 PolarHBondContact O-N 3.49Å; V108-A110 PolarHBondContact O-N 3.43Å
111	L	86.9	Confident	83.8	Confident	16 Å²	16	55.6 Å²	55.6	8%	0.084	32%	0.319	C	S	.	.	S	Bend	trans	-67.6	149.5	169.3	-65.6	170.3	0	0	0	111.1	R40 L42 L53 L103 P104 V108 I113	R40-L111 HydrophobicContact CB-CB 4.04Å; R40-L111 HydrophobicContact CB-CD1 4.41Å; R40-L111 WeakPolarHBondContact CD-O 3.4Å; R40-L111 HydrophobicContact CG-CB 4.28Å; R40-L111 PolarHBondContact NH1-O 3.19Å; L42-L111 HydrophobicContact CD2-CD1 3.91Å; L53-L111 HydrophobicContact CD1-CD1 4.13Å; L103-L111 HydrophobicContact CD2-CD1 4.01Å; L103-L111 HydrophobicContact CD2-CG 4.43Å; P104-L111 HydrophobicContact CG-CD2 4.35Å; V108-L111 HydrophobicContact CG1-CD1 4.4Å; V108-L111 WeakPolarHBondContact O-CB 3.41Å; V108-L111 PolarHBondContact O-N 3.03Å; L111-I113 PolarHBondContact O-N 3.3Å
112	T	88.1	Confident	83.3	Confident	97 Å²	97	56.2 Å²	56.2	60%	0.595	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-56.4	130	179.5	-56.4	0	0	0	0	110.6	R40 L41	R40-T112 CarbonylContact C-O 3.6Å; R40-T112 WeakPolarHBondContact CA-O 3.47Å; L41-T112 PolarHBondContact N-O 2.89Å
113	I	87.8	Confident	82.7	Confident	62 Å²	62	54.3 Å²	54.3	32%	0.318	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-73.9	131.1	172.6	-61.8	174.6	0	0	0	108.2	P39 R40 L111 H115 V118	P39-I113 WeakPolarHBondContact O-CA 3.49Å; R40-I113 VanDerWaalsContact NH1-CG1 3.29Å; L111-I113 PolarHBondContact O-N 3.3Å; I113-H115 VanDerWaalsContact C-N 3.34Å; I113-H115 PolarHBondContact O-CD2 3.33Å; I113-H115 PolarHBondContact O-N 2.97Å; I113-V118 HydrophobicContact CG2-CG2 4.37Å
114	D	89.1	Confident	82.3	Confident	23 Å²	23	56.7 Å²	56.7	12%	0.123	32%	0.322	C	S	.	.			trans	-78.4	87.2	173.1	-171.4	-13	0	0	0	110.1	P39 L41 T47 L116 A117 V118	P39-D114 HydrophobicContact CB-CB 4.22Å; P39-D114 HydrophobicContact CG-CB 4.33Å; P39-D114 PolarHBondContact O-N 3.5Å; L41-D114 HydrophobicContact CB-CB 4.2Å; T47-D114 WeakPolarHBondContact CB-OD2 3.35Å; T47-D114 HydrophobicContact CG2-CB 3.63Å; T47-D114 VanDerWaalsContact CG2-OD2 3.3Å; T47-D114 WeakPolarHBondContact CG2-OD2 3.33Å; T47-D114 PolarHBondContact OG1-OD2 3Å; D114-L116 PolarHBondContact O-N 3.12Å; D114-L116 WeakPolarHBondContact OD1-CA 3.35Å; D114-L116 WeakPolarHBondContact OD1-CB 3.47Å; D114-L116 PolarHBondContact OD1-N 3.47Å; D114-A117 HydrophobicContact CB-CB 3.93Å; D114-A117 VanDerWaalsContact CG-CB 3.44Å; D114-A117 PolarHBondContact O-N 2.86Å; D114-A117 PolarHBondContact OD1-N 2.99Å; D114-A117 WeakPolarHBondContact OD2-CB 3.32Å; D114-V118 WeakPolarHBondContact O-CG2 3.32Å; D114-V118 PolarHBondContact O-N 2.85Å; D114-V118 VanDerWaalsContact O-N 3.07Å
115	H	84.9	Confident	82	Confident	74 Å²	74	55.4 Å²	55.4	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-21.3	177.6	-66.9	-66.5	0	0	0	113	I113 N119 I189	I113-H115 VanDerWaalsContact C-N 3.34Å; I113-H115 PolarHBondContact O-CD2 3.33Å; I113-H115 PolarHBondContact O-N 2.97Å; H115-N119 WeakPolarHBondContact O-CB 2.99Å; H115-N119 PolarHBondContact O-N 3Å; H115-N119 PolarHBondContact O-ND2 3.16Å; H115-I189 HydrophobicContact CB-CD1 4.16Å
116	L	84.9	Confident	81.7	Confident	116 Å²	116	48.8 Å²	48.8	61%	0.607	28%	0.282	S	S	*	.	H	α-helix	trans	-72	-49.8	174.4	-176.8	63.4	0	0	0	109.7	D114 V118 N119 D120	D114-L116 PolarHBondContact O-N 3.12Å; D114-L116 WeakPolarHBondContact OD1-CA 3.35Å; D114-L116 WeakPolarHBondContact OD1-CB 3.47Å; D114-L116 PolarHBondContact OD1-N 3.47Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 2.9Å; L116-N119 PolarHBondContact O-N 3.19Å; L116-D120 PolarHBondContact O-N 3.07Å
117	A	85	Confident	81.4	Confident	7 Å²	7	55.8 Å²	55.8	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-38	175.4	0	0	0	0	0	113	F36 P39 T47 D114 N119 D120 V121	F36-A117 HydrophobicContact CD2-CB 3.82Å; F36-A117 HydrophobicContact CE2-CB 4.02Å; P39-A117 HydrophobicContact CB-CB 4.27Å; P39-A117 HydrophobicContact CG-CB 4.03Å; T47-A117 HydrophobicContact CG2-CB 4Å; D114-A117 HydrophobicContact CB-CB 3.93Å; D114-A117 VanDerWaalsContact CG-CB 3.44Å; D114-A117 PolarHBondContact O-N 2.86Å; D114-A117 PolarHBondContact OD1-N 2.99Å; D114-A117 WeakPolarHBondContact OD2-CB 3.32Å; A117-N119 VanDerWaalsContact C-N 3.35Å; A117-D120 PolarHBondContact O-N 3.06Å; A117-V121 WeakPolarHBondContact O-CG2 3.12Å; A117-V121 PolarHBondContact O-N 3.1Å
118	V	83.5	Confident	80.3	Confident	53 Å²	53	56.7 Å²	56.7	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-44.2	173.4	172.6	0	0	0	0	111.4	P39 I113 D114 L116 M122	P39-V118 HydrophobicContact CG-CG2 3.54Å; I113-V118 HydrophobicContact CG2-CG2 4.37Å; D114-V118 WeakPolarHBondContact O-CG2 3.32Å; D114-V118 PolarHBondContact O-N 2.85Å; D114-V118 VanDerWaalsContact O-N 3.07Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 2.9Å; V118-M122 WeakPolarHBondContact O-CB 3.02Å; V118-M122 PolarHBondContact O-N 2.88Å
119	N	80.6	Confident	79	Confident	48 Å²	48	64.2 Å²	64.2	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-68.7	-36.4	178.9	-70.2	-29.3	0	0	0	111.7	H115 L116 A117 M122 L123	H115-N119 WeakPolarHBondContact O-CB 2.99Å; H115-N119 PolarHBondContact O-N 3Å; H115-N119 PolarHBondContact O-ND2 3.16Å; L116-N119 PolarHBondContact O-N 3.19Å; A117-N119 VanDerWaalsContact C-N 3.35Å; N119-M122 WeakPolarHBondContact O-CB 3.39Å; N119-M122 PolarHBondContact O-N 2.85Å; N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.5Å
120	D	81	Confident	77.6	Confident	56 Å²	56	58.4 Å²	58.4	30%	0.299	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-43.2	177.6	-70.7	-15.8	0	0	0	111.6	T27 L116 A117 M122 L123 E124	T27-D120 HydrophobicContact CG2-CB 3.88Å; L116-D120 PolarHBondContact O-N 3.07Å; A117-D120 PolarHBondContact O-N 3.06Å; D120-M122 VanDerWaalsContact C-N 3.3Å; D120-M122 PolarHBondContact O-N 3.33Å; D120-L123 PolarHBondContact O-N 3.34Å; D120-E124 WeakPolarHBondContact O-CB 3.36Å; D120-E124 PolarHBondContact O-N 3.11Å
121	V	82	Confident	76.2	Confident	19 Å²	19	62.8 Å²	62.8	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-42	171.8	169.3	0	0	0	0	110.9	T27 L35 F36 A117 L123 E124 S125	T27-V121 HydrophobicContact CG2-CG2 4.29Å; T27-V121 VanDerWaalsContact O-CG2 3.27Å; T27-V121 WeakPolarHBondContact O-CG2 3.27Å; L35-V121 HydrophobicContact CB-CG1 4.1Å; L35-V121 HydrophobicContact CD1-CG1 4.34Å; L35-V121 HydrophobicContact CD2-CG1 4.48Å; L35-V121 HydrophobicContact CD2-CG2 4.48Å; F36-V121 HydrophobicContact CB-CG2 3.91Å; F36-V121 HydrophobicContact CD2-CG2 4.26Å; A117-V121 WeakPolarHBondContact O-CG2 3.12Å; A117-V121 PolarHBondContact O-N 3.1Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-E124 PolarHBondContact O-N 3.2Å; V121-S125 WeakPolarHBondContact O-CB 3.47Å; V121-S125 PolarHBondContact O-N 3.48Å; V121-S125 PolarHBondContact O-OG 2.71Å
122	M	75.8	Confident	75	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-41.7	176.3	-178.4	172.9	-180	0	0	111.4	V118 N119 D120 S125 L126 R146 N153 I185 K187	V118-M122 WeakPolarHBondContact O-CB 3.02Å; V118-M122 PolarHBondContact O-N 2.88Å; N119-M122 WeakPolarHBondContact O-CB 3.39Å; N119-M122 PolarHBondContact O-N 2.85Å; D120-M122 VanDerWaalsContact C-N 3.3Å; D120-M122 PolarHBondContact O-N 3.33Å; M122-S125 PolarHBondContact O-N 3.45Å; M122-L126 HydrophobicContact CE-CD1 4.46Å; M122-L126 HydrophobicContact CG-CD1 4.25Å; M122-L126 WeakPolarHBondContact O-CB 3.37Å; M122-L126 WeakPolarHBondContact O-CD1 3.18Å; M122-L126 WeakPolarHBondContact O-CG 3.44Å; M122-L126 PolarHBondContact O-N 2.76Å; M122-R146 VanDerWaalsContact CE-NH1 3.25Å; M122-N153 VanDerWaalsContact CE-ND2 3.31Å; M122-N153 WeakPolarHBondContact CE-ND2 3.18Å; M122-I185 HydrophobicContact CE-CG2 3.89Å; M122-I185 HydrophobicContact SD-CG2 4.42Å; M122-K187 HydrophobicContact SD-CG 4.22Å
123	L	75.1	Confident	74.1	Confident	39 Å²	39	62.4 Å²	62.4	20%	0.204	34%	0.339	C	S	.	.	H	α-helix	trans	-68.4	-40.2	178.3	-172.4	66.7	0	0	0	112.2	N119 D120 V121 L126 R127 I185	N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.5Å; D120-L123 PolarHBondContact O-N 3.34Å; V121-L123 VanDerWaalsContact C-N 3.34Å; L123-L126 WeakPolarHBondContact O-CB 3.41Å; L123-L126 PolarHBondContact O-N 3.29Å; L123-R127 WeakPolarHBondContact O-CG 3.33Å; L123-R127 PolarHBondContact O-N 2.83Å; L123-I185 HydrophobicContact CD1-CD1 3.77Å; L123-I185 HydrophobicContact CD1-CG1 4.45Å
124	E	76.6	Confident	73.5	Confident	73 Å²	73	62.9 Å²	62.9	34%	0.341	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-45	173.6	-174.5	-179.1	-158	0	0	111.6	T27 H28 L35 D120 V121 L126 R127 G128	T27-E124 WeakPolarHBondContact CB-OE2 3.34Å; T27-E124 HydrophobicContact CG2-CB 4.18Å; T27-E124 WeakPolarHBondContact CG2-OE2 3.35Å; T27-E124 VanDerWaalsContact OG1-CD 3.28Å; T27-E124 PolarHBondContact OG1-OE1 2.88Å; T27-E124 PolarHBondContact OG1-OE2 3.14Å; H28-E124 IonicContact CE1-OE1 3.31Å; H28-E124 IonicContact CE1-OE2 3.41Å; L35-E124 WeakPolarHBondContact CD2-OE2 3.45Å; D120-E124 WeakPolarHBondContact O-CB 3.36Å; D120-E124 PolarHBondContact O-N 3.11Å; V121-E124 PolarHBondContact O-N 3.2Å; E124-L126 PolarHBondContact O-N 2.94Å; E124-R127 PolarHBondContact O-N 2.98Å; E124-G128 PolarHBondContact O-N 2.85Å
125	S	74.8	Confident	73.1	Confident	25 Å²	25	61.8 Å²	61.8	18%	0.175	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-32.7	175.9	-54.8	0	0	0	0	112	V121 M122 G130	V121-S125 WeakPolarHBondContact O-CB 3.47Å; V121-S125 PolarHBondContact O-N 3.48Å; V121-S125 PolarHBondContact O-OG 2.71Å; M122-S125 PolarHBondContact O-N 3.45Å; S125-G130 WeakPolarHBondContact O-CA 3.45Å; S125-G130 PolarHBondContact O-N 3.35Å
126	L	69.4	Low	72.8	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.12	34%	0.338	C	S	.	.	H	α-helix	trans	-74.8	-29	174.5	-73.9	170.8	0	0	0	113.5	M122 L123 E124 L133 L176 I185	M122-L126 HydrophobicContact CE-CD1 4.46Å; M122-L126 HydrophobicContact CG-CD1 4.25Å; M122-L126 WeakPolarHBondContact O-CB 3.37Å; M122-L126 WeakPolarHBondContact O-CD1 3.18Å; M122-L126 WeakPolarHBondContact O-CG 3.44Å; M122-L126 PolarHBondContact O-N 2.76Å; L123-L126 WeakPolarHBondContact O-CB 3.41Å; L123-L126 PolarHBondContact O-N 3.29Å; E124-L126 PolarHBondContact O-N 2.94Å; L126-L133 HydrophobicContact CD2-CD1 3.42Å; L126-L133 VanDerWaalsContact CD2-CD1 3.42Å; L126-L133 HydrophobicContact CG-CD1 3.87Å; L126-L176 HydrophobicContact CD2-CD1 4.2Å; L126-L176 HydrophobicContact CD2-CD2 3.65Å; L126-L176 HydrophobicContact CD2-CG 4.38Å; L126-I185 HydrophobicContact CD1-CD1 3.62Å; L126-I185 HydrophobicContact CD1-CG2 4.15Å
127	R	68.9	Low	72.6	Confident	195 Å²	195	61 Å²	61	74%	0.736	34%	0.337	S	S	*	.	H	α-helix	trans	-80.2	-32.2	176.9	-72	173.6	-178.7	-148.4	1	112	L123 E124 E129	L123-R127 WeakPolarHBondContact O-CG 3.33Å; L123-R127 PolarHBondContact O-N 2.83Å; E124-R127 PolarHBondContact O-N 2.98Å; R127-E129 VanDerWaalsContact C-N 3.27Å; R127-E129 PolarHBondContact O-N 2.88Å; R127-E129 VanDerWaalsContact O-N 3.16Å
128	G	59.8	Low	72.4	Confident	45 Å²	45	62.3 Å²	62.3	46%	0.464	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	49.2	176.7	0	0	0	0	0	114.4	E124 G130	E124-G128 PolarHBondContact O-N 2.85Å; G128-G130 PolarHBondContact O-N 2.95Å; G128-G130 VanDerWaalsContact O-N 3.12Å
129	E	55.8	Low	72.1	Confident	172 Å²	172	65 Å²	65	80%	0.804	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	14	176.9	-57.2	-172.4	159.3	0	0	116.8	R127 Q131	R127-E129 VanDerWaalsContact C-N 3.27Å; R127-E129 PolarHBondContact O-N 2.88Å; R127-E129 VanDerWaalsContact O-N 3.16Å; E129-Q131 VanDerWaalsContact C-N 3.25Å; E129-Q131 PolarHBondContact O-N 2.92Å
130	G	55	Low	71.9	Confident	15 Å²	15	69.4 Å²	69.4	16%	0.155	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	10.2	174.7	0	0	0	0	0	114.9	S125 G128 G132 L133	S125-G130 WeakPolarHBondContact O-CA 3.45Å; S125-G130 PolarHBondContact O-N 3.35Å; G128-G130 PolarHBondContact O-N 2.95Å; G128-G130 VanDerWaalsContact O-N 3.12Å; G130-G132 PolarHBondContact O-N 2.85Å; G130-G132 VanDerWaalsContact O-N 3.14Å; G130-L133 PolarHBondContact O-N 2.82Å
131	Q	55.2	Low	71.7	Confident	146 Å²	146	72.9 Å²	72.9	68%	0.682	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	116.8	178.7	-71.6	-179.8	-0.9	0	0	110.3	E129	E129-Q131 VanDerWaalsContact C-N 3.25Å; E129-Q131 PolarHBondContact O-N 2.92Å
132	G	61.2	Low	71.5	Confident	74 Å²	74	78.9 Å²	78.9	76%	0.763	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	0.2	176.3	0	0	0	0	0	116.5	G130	G130-G132 PolarHBondContact O-N 2.85Å; G130-G132 VanDerWaalsContact O-N 3.14Å
133	L	68.9	Low	71.6	Confident	31 Å²	31	78.8 Å²	78.8	16%	0.162	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-89.5	121.3	171.1	-70	173.2	0	0	0	111	L126 G130 V143	L126-L133 HydrophobicContact CD2-CD1 3.42Å; L126-L133 VanDerWaalsContact CD2-CD1 3.42Å; L126-L133 HydrophobicContact CG-CD1 3.87Å; G130-L133 PolarHBondContact O-N 2.82Å; L133-V143 HydrophobicContact CB-CB 4.35Å; L133-V143 HydrophobicContact CB-CG2 3.98Å; L133-V143 WeakPolarHBondContact O-CG2 3.21Å; L133-V143 PolarHBondContact O-N 2.72Å
134	V	76.1	Confident	71.6	Confident	72 Å²	72	81.3 Å²	81.3	44%	0.436	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-99.6	150.4	175.7	-63.1	0	0	0	0	111.8	D136 N139 V143	V134-D136 PolarHBondContact O-N 3.12Å; V134-N139 WeakPolarHBondContact CB-O 3.47Å; V134-V143 VanDerWaalsContact O-CG2 3.26Å; V134-V143 WeakPolarHBondContact O-CG2 3.5Å
135	C	80.7	Confident	71.8	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-61.6	123.3	178.8	173.6	0	0	0	0	111.8	L137 C138 N139 R141 N153 C155 C158	C135-L137 PolarHBondContact O-N 2.93Å; C135-C138 VanDerWaalsContact CB-SG 3.57Å; C135-C138 PolarHBondContact O-N 2.83Å; C135-C138 VanDerWaalsContact O-N 3.15Å; C135-N139 WeakPolarHBondContact O-CA 3.35Å; C135-N139 PolarHBondContact O-N 3.04Å; C135-N139 PolarHBondContact O-OD1 3.22Å; C135-R141 WeakPolarHBondContact CB-O 3.32Å; C135-R141 PolarHBondContact N-O 3.29Å; C135-N153 WeakPolarHBondContact CA-O 3.12Å; C135-C155 HydrophobicContact CB-CB 3.78Å; C135-C155 PolarHBondContact SG-N 2.83Å; C135-C158 WeakPolarHBondContact SG-CB 3.37Å
136	D	79.6	Confident	72	Confident	62 Å²	62	79.2 Å²	79.2	33%	0.332	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.1	-175.8	-67.6	-37.2	0	0	0	113.3	V134 A152 N153 K187	V134-D136 PolarHBondContact O-N 3.12Å; D136-A152 WeakPolarHBondContact OD2-CA 3.36Å; D136-N153 PolarHBondContact N-O 3.33Å; D136-N153 WeakPolarHBondContact OD2-CB 3.38Å; D136-N153 PolarHBondContact OD2-N 3.01Å; D136-K187 IonicContact OD1-NZ 3.06Å
137	L	78.8	Confident	72.6	Confident	110 Å²	110	78.1 Å²	78.1	58%	0.576	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-25.4	-179.7	-66.8	-176.3	0	0	0	114.4	C135 L154 C158	C135-L137 PolarHBondContact O-N 2.93Å; L137-L154 HydrophobicContact CB-CD2 4.4Å; L137-L154 HydrophobicContact CD1-CD2 3.51Å; L137-L154 HydrophobicContact CG-CD2 3.61Å; L137-C158 HydrophobicContact CB-CB 4.32Å; L137-C158 HydrophobicContact CD1-CB 4.22Å
138	C	81.1	Confident	72.9	Confident	36 Å²	36	72.9 Å²	72.9	24%	0.243	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-9.6	-174.6	76.6	0	0	0	0	114	C135 D140	C135-C138 VanDerWaalsContact CB-SG 3.57Å; C135-C138 PolarHBondContact O-N 2.83Å; C135-C138 VanDerWaalsContact O-N 3.15Å; C138-D140 PolarHBondContact O-N 3.29Å
139	N	77.6	Confident	73.6	Confident	109 Å²	109	74.6 Å²	74.6	58%	0.583	39%	0.394	S	S	*	.	S	Bend	trans	52.8	1.4	-178.9	-65.5	-20.5	0	0	0	117.2	V134 C135	V134-N139 WeakPolarHBondContact CB-O 3.47Å; C135-N139 WeakPolarHBondContact O-CA 3.35Å; C135-N139 PolarHBondContact O-N 3.04Å; C135-N139 PolarHBondContact O-OD1 3.22Å
140	D	75.8	Confident	74.5	Confident	140 Å²	140	68.8 Å²	68.8	75%	0.749	37%	0.372	S	S	*	.	S	Bend	trans	-108.7	-27.4	-170.5	-67	-22.3	0	0	0	114.5	C138	C138-D140 PolarHBondContact O-N 3.29Å
141	R	77.8	Confident	75.4	Confident	130 Å²	130	72.2 Å²	72.2	49%	0.491	38%	0.383	S	S	.	.	S	Bend	trans	-115.8	147	-168.8	-62.9	-176.7	-171.8	-135	2.7	111.4	C135 C155	C135-R141 WeakPolarHBondContact CB-O 3.32Å; C135-R141 PolarHBondContact N-O 3.29Å; R141-C155 HydrophobicContact CB-CB 3.59Å
142	E	78.5	Confident	76.5	Confident	144 Å²	144	66.1 Å²	66.1	67%	0.673	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-58.1	142.3	176.1	-65.9	-176.8	170.9	0	0	111.7	C155	E142-C155 VanDerWaalsContact O-CA 3.25Å; E142-C155 WeakPolarHBondContact O-CA 3.34Å; E142-C155 WeakPolarHBondContact O-CB 3.49Å
143	V	77.9	Confident	77.4	Confident	14 Å²	14	62.7 Å²	62.7	9%	0.085	32%	0.321	C	S	.	.			trans	-77.3	133.4	178.8	-176.9	0	0	0	0	109.3	L133 V134 N153 L176	L133-V143 HydrophobicContact CB-CB 4.35Å; L133-V143 HydrophobicContact CB-CG2 3.98Å; L133-V143 WeakPolarHBondContact O-CG2 3.21Å; L133-V143 PolarHBondContact O-N 2.72Å; V134-V143 VanDerWaalsContact O-CG2 3.26Å; V134-V143 WeakPolarHBondContact O-CG2 3.5Å; V143-N153 HydrophobicContact CB-CB 4.36Å; V143-N153 HydrophobicContact CG1-CB 3.59Å; V143-N153 HydrophobicContact CG2-CB 3.78Å; V143-L176 HydrophobicContact CB-CD1 3.9Å; V143-L176 HydrophobicContact CG1-CD1 3.59Å; V143-L176 HydrophobicContact CG1-CD2 4.3Å; V143-L176 HydrophobicContact CG1-CG 4.21Å; V143-L176 VanDerWaalsContact O-CD1 3.24Å; V143-L176 WeakPolarHBondContact O-CD1 3.34Å
144	E	74	Confident	78.1	Confident	91 Å²	91	61.2 Å²	61.2	43%	0.425	31%	0.314	S	S	.	.			trans	-112	-34.9	172.9	-71.7	-176.8	-176.1	0	0	112.4	L154 H156 L176	E144-L154 PolarHBondContact N-O 2.83Å; E144-H156 VanDerWaalsContact OE2-CB 3.24Å; E144-H156 WeakPolarHBondContact OE2-CB 3.32Å; E144-H156 IonicContact OE2-CG 3.26Å; E144-H156 IonicContact OE2-ND1 2.71Å; E144-H156 PolarHBondContact OE2-ND1 2.94Å; E144-L176 WeakPolarHBondContact O-CG 3.16Å; E144-L176 PolarHBondContact O-N 3.15Å; E144-L176 VanDerWaalsContact O-N 3.11Å
145	K	80.2	Confident	78.5	Confident	39 Å²	39	57.9 Å²	57.9	17%	0.17	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145	-172.2	-54.4	-170.8	-173.2	-100	0	111.2	L154 M173 V174 D175	K145-L154 PolarHBondContact N-O 2.9Å; K145-L154 VanDerWaalsContact N-O 3.12Å; K145-L154 PolarHBondContact O-N 2.77Å; K145-M173 HydrophobicContact CB-CE 3.76Å; K145-V174 CarbonylContact C-O 3.53Å; K145-V174 WeakPolarHBondContact CA-O 3.4Å; K145-D175 WeakPolarHBondContact CE-OD1 3.38Å; K145-D175 WeakPolarHBondContact CG-OD1 3.28Å; K145-D175 IonicContact NZ-OD1 3.38Å; K145-D175 PolarHBondContact NZ-OD1 3.19Å; K145-D175 IonicContact NZ-OD2 3.9Å; K145-D175 PolarHBondContact NZ-OD2 2.99Å
146	R	80.8	Confident	78.7	Confident	16 Å²	16	61.3 Å²	61.3	6%	0.06	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.2	173.7	-175.6	174.6	176.8	88.7	-5.1	110.7	M122 K151 A152 N153 M173 V174 L176	M122-R146 VanDerWaalsContact CE-NH1 3.25Å; R146-K151 VanDerWaalsContact CZ-O 3.24Å; R146-K151 PolarHBondContact NH1-O 3.22Å; R146-K151 PolarHBondContact NH2-O 3.38Å; R146-A152 CarbonylContact C-O 3.49Å; R146-A152 WeakPolarHBondContact CA-O 3.39Å; R146-N153 WeakPolarHBondContact CD-OD1 3.32Å; R146-N153 WeakPolarHBondContact CG-OD1 3.19Å; R146-N153 PolarHBondContact NH1-ND2 2.92Å; R146-N153 PolarHBondContact NH1-OD1 3.04Å; R146-M173 WeakPolarHBondContact O-CA 3.14Å; R146-V174 PolarHBondContact N-O 3.18Å; R146-V174 PolarHBondContact O-N 3.39Å; R146-L176 HydrophobicContact CB-CD2 4.1Å
147	C	81.6	Confident	79	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.8	170.5	175.9	0	0	0	0	109.1	C150 K151 A152 H162 H171 T172 M173	C147-C150 HydrophobicContact CB-CB 4.4Å; C147-C150 WeakPolarHBondContact CB-SG 3.36Å; C147-C150 WeakPolarHBondContact SG-CB 3.19Å; C147-C150 PolarHBondContact SG-N 3.02Å; C147-C150 CovalentContact SG-SG 2.06Å; C147-C150 PolarHBondContact SG-SG 3.38Å; C147-K151 CarbonylContact O-C 3.55Å; C147-K151 WeakPolarHBondContact O-CA 3.24Å; C147-K151 PolarHBondContact O-N 3.49Å; C147-A152 HydrophobicContact CB-CB 4.39Å; C147-A152 WeakPolarHBondContact CB-O 3.28Å; C147-A152 PolarHBondContact N-O 3.15Å; C147-H162 PolarHBondContact SG-NE2 3.09Å; C147-H162 VanDerWaalsContact SG-NE2 3.38Å; C147-H171 PolarHBondContact SG-ND1 3.21Å; C147-T172 CarbonylContact C-O 3.55Å; C147-T172 WeakPolarHBondContact CA-O 3.41Å; C147-M173 WeakPolarHBondContact CA-SD 3.21Å; C147-M173 HydrophobicContact CB-CE 4.01Å; C147-M173 HydrophobicContact CB-SD 3.49Å; C147-M173 WeakPolarHBondContact CB-SD 3.27Å
148	Q	74.2	Confident	79.3	Confident	85 Å²	85	59.9 Å²	59.9	40%	0.397	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-37.1	177	-71.6	-172.1	-22.9	0	0	112	T172 V174	Q148-T172 PolarHBondContact N-O 3.3Å; Q148-V174 HydrophobicContact CG-CG2 3.8Å
149	T	75.8	Confident	79.5	Confident	81 Å²	81	58.3 Å²	58.3	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-39	-176.8	-45.5	0	0	0	0	112.2	H171 T172	T149-H171 VanDerWaalsContact CG2-CD2 3.49Å; T149-H171 WeakPolarHBondContact CG2-CD2 3.42Å; T149-H171 WeakPolarHBondContact OG1-CA 3.44Å; T149-T172 PolarHBondContact OG1-N 3.16Å; T149-T172 VanDerWaalsContact OG1-N 3.12Å
150	C	74.2	Confident	79.9	Confident	50 Å²	50	56.6 Å²	56.6	34%	0.338	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	1.4	-175.9	64.9	0	0	0	0	114.1	C147 A152 H162	C147-C150 HydrophobicContact CB-CB 4.4Å; C147-C150 WeakPolarHBondContact CB-SG 3.36Å; C147-C150 WeakPolarHBondContact SG-CB 3.19Å; C147-C150 PolarHBondContact SG-N 3.02Å; C147-C150 CovalentContact SG-SG 2.06Å; C147-C150 PolarHBondContact SG-SG 3.38Å; C150-A152 PolarHBondContact O-N 2.92Å; C150-H162 PolarHBondContact SG-CE1 3.47Å; C150-H162 PolarHBondContact SG-NE2 3.1Å; C150-H162 VanDerWaalsContact SG-NE2 3.36Å
151	K	74.3	Confident	80.4	Confident	87 Å²	87	52.3 Å²	52.3	38%	0.378	26%	0.26	S	S	.	.			trans	56.6	11.6	179.9	-57	178.8	-178.8	176.7	0	115.5	R146 C147 E198	R146-K151 VanDerWaalsContact CZ-O 3.24Å; R146-K151 PolarHBondContact NH1-O 3.22Å; R146-K151 PolarHBondContact NH2-O 3.38Å; C147-K151 CarbonylContact O-C 3.55Å; C147-K151 WeakPolarHBondContact O-CA 3.24Å; C147-K151 PolarHBondContact O-N 3.49Å; K151-E198 IonicContact NZ-OE1 2.85Å
152	A	77.9	Confident	80.8	Confident	17 Å²	17	46.9 Å²	46.9	14%	0.14	24%	0.24	C	C	.	.			trans	-82.2	137.4	-178.6	0	0	0	0	0	112.3	D136 R146 C147 C150 L154	D136-A152 WeakPolarHBondContact OD2-CA 3.36Å; R146-A152 CarbonylContact C-O 3.49Å; R146-A152 WeakPolarHBondContact CA-O 3.39Å; C147-A152 HydrophobicContact CB-CB 4.39Å; C147-A152 WeakPolarHBondContact CB-O 3.28Å; C147-A152 PolarHBondContact N-O 3.15Å; C150-A152 PolarHBondContact O-N 2.92Å; A152-L154 HydrophobicContact CB-CD2 4.03Å; A152-L154 HydrophobicContact CB-CG 4.39Å
153	N	79.8	Confident	81.1	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	117.1	171.5	-70.7	-27.4	0	0	0	109.2	M122 C135 D136 V143 R146	M122-N153 VanDerWaalsContact CE-ND2 3.31Å; M122-N153 WeakPolarHBondContact CE-ND2 3.18Å; C135-N153 WeakPolarHBondContact CA-O 3.12Å; D136-N153 PolarHBondContact N-O 3.33Å; D136-N153 WeakPolarHBondContact OD2-CB 3.38Å; D136-N153 PolarHBondContact OD2-N 3.01Å; V143-N153 HydrophobicContact CB-CB 4.36Å; V143-N153 HydrophobicContact CG1-CB 3.59Å; V143-N153 HydrophobicContact CG2-CB 3.78Å; R146-N153 WeakPolarHBondContact CD-OD1 3.32Å; R146-N153 WeakPolarHBondContact CG-OD1 3.19Å; R146-N153 PolarHBondContact NH1-ND2 2.92Å; R146-N153 PolarHBondContact NH1-OD1 3.04Å
154	L	83.3	Confident	81.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.9	-172.2	-54.8	-178	0	0	0	112.1	L137 E144 K145 A152 C158 C159 H162 M173	L137-L154 HydrophobicContact CB-CD2 4.4Å; L137-L154 HydrophobicContact CD1-CD2 3.51Å; L137-L154 HydrophobicContact CG-CD2 3.61Å; E144-L154 PolarHBondContact N-O 2.83Å; K145-L154 PolarHBondContact N-O 2.9Å; K145-L154 VanDerWaalsContact N-O 3.12Å; K145-L154 PolarHBondContact O-N 2.77Å; A152-L154 HydrophobicContact CB-CD2 4.03Å; A152-L154 HydrophobicContact CB-CG 4.39Å; L154-C158 HydrophobicContact CB-CB 4.33Å; L154-C158 HydrophobicContact CD2-CB 4.33Å; L154-C159 HydrophobicContact CB-CB 4.07Å; L154-C159 HydrophobicContact CD1-CB 4.44Å; L154-H162 HydrophobicContact CD1-CB 3.59Å; L154-M173 HydrophobicContact CB-CE 4.37Å; L154-M173 HydrophobicContact CD1-CE 3.74Å; L154-M173 HydrophobicContact CD1-SD 4.28Å; L154-M173 HydrophobicContact CG-CE 4.26Å
155	C	85.8	Confident	81.9	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.02	27%	0.267	C	S	.	.			trans	-69	168.4	163.2	70.3	0	0	0	0	110.8	C135 R141 E142 F157 C158 C159	C135-C155 HydrophobicContact CB-CB 3.78Å; C135-C155 PolarHBondContact SG-N 2.83Å; R141-C155 HydrophobicContact CB-CB 3.59Å; E142-C155 VanDerWaalsContact O-CA 3.25Å; E142-C155 WeakPolarHBondContact O-CA 3.34Å; E142-C155 WeakPolarHBondContact O-CB 3.49Å; C155-F157 VanDerWaalsContact C-N 3.31Å; C155-F157 PolarHBondContact O-N 2.97Å; C155-C158 PolarHBondContact O-N 2.79Å; C155-C158 PolarHBondContact SG-N 2.8Å; C155-C158 VanDerWaalsContact SG-N 3.43Å; C155-C159 WeakPolarHBondContact O-CB 3.38Å; C155-C159 PolarHBondContact O-N 2.92Å
156	H	84.8	Confident	81.9	Confident	72 Å²	72	63.2 Å²	63.2	33%	0.333	30%	0.3	S	S	.	.	H	α-helix	trans	-45.3	-53.3	178	-163.8	72.6	0	0	0	113.6	E144 C159 Q160	E144-H156 VanDerWaalsContact OE2-CB 3.24Å; E144-H156 WeakPolarHBondContact OE2-CB 3.32Å; E144-H156 IonicContact OE2-CG 3.26Å; E144-H156 IonicContact OE2-ND1 2.71Å; E144-H156 PolarHBondContact OE2-ND1 2.94Å; H156-C159 WeakPolarHBondContact O-CB 3.5Å; H156-C159 PolarHBondContact O-N 3.15Å; H156-Q160 PolarHBondContact CD2-NE2 2.65Å; H156-Q160 VanDerWaalsContact CD2-NE2 3.31Å; H156-Q160 PolarHBondContact NE2-NE2 3.07Å; H156-Q160 WeakPolarHBondContact O-CG 3.35Å; H156-Q160 PolarHBondContact O-N 2.93Å; H156-Q160 VanDerWaalsContact O-N 3.08Å
157	F	84.6	Confident	81.8	Confident	119 Å²	119	71.6 Å²	71.6	52%	0.522	34%	0.337	S	S	.	.	H	α-helix	trans	-68.9	-44.1	-174.5	-67	-84.9	0	0	0	112.2	C155 C159 Q160 A161	C155-F157 VanDerWaalsContact C-N 3.31Å; C155-F157 PolarHBondContact O-N 2.97Å; F157-C159 VanDerWaalsContact C-N 3.31Å; F157-C159 PolarHBondContact O-N 3.27Å; F157-Q160 PolarHBondContact O-N 2.85Å; F157-A161 PolarHBondContact O-N 2.91Å
158	C	86.4	Confident	81.9	Confident	22 Å²	22	72.4 Å²	72.4	15%	0.149	34%	0.342	C	S	.	.	H	α-helix	trans	-67.6	-33.5	177.4	-72.8	0	0	0	0	111.5	C135 L137 L154 C155 A161 H162	C135-C158 WeakPolarHBondContact SG-CB 3.37Å; L137-C158 HydrophobicContact CB-CB 4.32Å; L137-C158 HydrophobicContact CD1-CB 4.22Å; L154-C158 HydrophobicContact CB-CB 4.33Å; L154-C158 HydrophobicContact CD2-CB 4.33Å; C155-C158 PolarHBondContact O-N 2.79Å; C155-C158 PolarHBondContact SG-N 2.8Å; C155-C158 VanDerWaalsContact SG-N 3.43Å; C158-A161 PolarHBondContact O-N 2.93Å; C158-H162 WeakPolarHBondContact O-CB 3.34Å; C158-H162 PolarHBondContact O-N 3.21Å
159	C	84.6	Confident	82.2	Confident	4 Å²	4	71.2 Å²	71.2	3%	0.027	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-43.2	172.1	179.3	0	0	0	0	111.7	L154 C155 H156 F157 H162 R163 M173	L154-C159 HydrophobicContact CB-CB 4.07Å; L154-C159 HydrophobicContact CD1-CB 4.44Å; C155-C159 WeakPolarHBondContact O-CB 3.38Å; C155-C159 PolarHBondContact O-N 2.92Å; H156-C159 WeakPolarHBondContact O-CB 3.5Å; H156-C159 PolarHBondContact O-N 3.15Å; F157-C159 VanDerWaalsContact C-N 3.31Å; F157-C159 PolarHBondContact O-N 3.27Å; C159-H162 PolarHBondContact O-N 2.82Å; C159-R163 WeakPolarHBondContact O-CG 3.17Å; C159-R163 PolarHBondContact O-N 3.15Å; C159-M173 HydrophobicContact CB-CE 4.38Å
160	Q	85.7	Confident	82.4	Confident	73 Å²	73	77.2 Å²	77.2	34%	0.341	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-44	177.3	-69.4	-174.5	13.6	0	0	111.5	H156 F157 R163 R164	H156-Q160 PolarHBondContact CD2-NE2 2.65Å; H156-Q160 VanDerWaalsContact CD2-NE2 3.31Å; H156-Q160 PolarHBondContact NE2-NE2 3.07Å; H156-Q160 WeakPolarHBondContact O-CG 3.35Å; H156-Q160 PolarHBondContact O-N 2.93Å; H156-Q160 VanDerWaalsContact O-N 3.08Å; F157-Q160 PolarHBondContact O-N 2.85Å; Q160-R163 PolarHBondContact O-N 3.16Å; Q160-R164 VanDerWaalsContact O-CG 3.25Å; Q160-R164 WeakPolarHBondContact O-CG 3.25Å; Q160-R164 PolarHBondContact O-N 2.91Å
161	A	85.7	Confident	82.9	Confident	49 Å²	49	77 Å²	77	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-45.2	175.8	0	0	0	0	0	111.4	F157 C158 R163 R164 Q165	F157-A161 PolarHBondContact O-N 2.91Å; C158-A161 PolarHBondContact O-N 2.93Å; A161-R163 VanDerWaalsContact C-N 3.32Å; A161-R163 PolarHBondContact O-N 3.47Å; A161-R164 PolarHBondContact O-N 2.97Å; A161-Q165 PolarHBondContact O-N 3.46Å
162	H	86.8	Confident	83.3	Confident	16 Å²	16	76.4 Å²	76.4	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-39.2	177.3	-173.9	81.1	0	0	0	112.4	C147 C150 L154 C158 C159 R164 T168 H171	C147-H162 PolarHBondContact SG-NE2 3.09Å; C147-H162 VanDerWaalsContact SG-NE2 3.38Å; C150-H162 PolarHBondContact SG-CE1 3.47Å; C150-H162 PolarHBondContact SG-NE2 3.1Å; C150-H162 VanDerWaalsContact SG-NE2 3.36Å; L154-H162 HydrophobicContact CD1-CB 3.59Å; C158-H162 WeakPolarHBondContact O-CB 3.34Å; C158-H162 PolarHBondContact O-N 3.21Å; C159-H162 PolarHBondContact O-N 2.82Å; H162-R164 VanDerWaalsContact C-N 3.3Å; H162-R164 PolarHBondContact O-N 2.97Å; H162-T168 CarbonylContact O-C 3.58Å; H162-T168 VanDerWaalsContact O-CB 3.32Å; H162-T168 WeakPolarHBondContact O-CB 3.38Å; H162-T168 PolarHBondContact O-OG1 2.94Å; H162-H171 AromaticContact CE1-ND1 3.55Å; H162-H171 AromaticContact NE2-CG 3.79Å; H162-H171 AromaticContact NE2-ND1 3.24Å; H162-H171 PolarHBondContact NE2-ND1 3.22Å
163	R	84.7	Confident	83.5	Confident	124 Å²	124	76.7 Å²	76.7	47%	0.468	35%	0.352	S	S	.	.	H	α-helix	trans	-72.7	-19.8	175.1	-72.8	178.8	176.6	-170.5	-0.5	114.2	C159 Q160 A161 T169 M173	C159-R163 WeakPolarHBondContact O-CG 3.17Å; C159-R163 PolarHBondContact O-N 3.15Å; Q160-R163 PolarHBondContact O-N 3.16Å; A161-R163 VanDerWaalsContact C-N 3.32Å; A161-R163 PolarHBondContact O-N 3.47Å; R163-T169 WeakPolarHBondContact O-CG2 3.29Å; R163-M173 HydrophobicContact CG-CG 4.42Å
164	R	84.9	Confident	83.4	Confident	193 Å²	193	77.9 Å²	77.9	73%	0.728	36%	0.359	S	S	*	.	H	α-helix	trans	-91.4	-16.8	-177.3	-71.5	172.6	-175.2	-174	4.7	113.2	Q160 A161 H162	Q160-R164 VanDerWaalsContact O-CG 3.25Å; Q160-R164 WeakPolarHBondContact O-CG 3.25Å; Q160-R164 PolarHBondContact O-N 2.91Å; A161-R164 PolarHBondContact O-N 2.97Å; H162-R164 VanDerWaalsContact C-N 3.3Å; H162-R164 PolarHBondContact O-N 2.97Å
165	Q	83.6	Confident	83.1	Confident	117 Å²	117	80.6 Å²	80.6	55%	0.547	37%	0.374	S	S	.	.	S	Bend	trans	-78.5	131.5	177.3	-69.6	-171.7	2.4	0	0	111.4	A161 K167 T168 T169	A161-Q165 PolarHBondContact O-N 3.46Å; Q165-K167 PolarHBondContact O-N 3.4Å; Q165-T168 WeakPolarHBondContact CB-OG1 3.37Å; Q165-T168 PolarHBondContact O-N 2.94Å; Q165-T168 PolarHBondContact O-OG1 3.23Å; Q165-T169 WeakPolarHBondContact O-CG2 3.46Å; Q165-T169 PolarHBondContact O-N 3.48Å; Q165-T169 VanDerWaalsContact O-N 3.08Å
166	K	80.4	Confident	82.4	Confident	198 Å²	198	81.8 Å²	81.8	86%	0.861	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-29.9	-178.3	-73	-173.6	177.6	-178.4	0	114.6
167	K	78.8	Confident	81.4	Confident	191 Å²	191	86.9 Å²	86.9	83%	0.83	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-17.4	-177.4	-67.2	-173.4	177.4	-177.5	0	113.9	Q165	Q165-K167 PolarHBondContact O-N 3.4Å
168	T	83.1	Confident	80.5	Confident	18 Å²	18	86.8 Å²	86.8	11%	0.11	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	5.2	-168.3	50.5	0	0	0	0	112.9	H162 Q165 Y170 H171	H162-T168 CarbonylContact O-C 3.58Å; H162-T168 VanDerWaalsContact O-CB 3.32Å; H162-T168 WeakPolarHBondContact O-CB 3.38Å; H162-T168 PolarHBondContact O-OG1 2.94Å; Q165-T168 WeakPolarHBondContact CB-OG1 3.37Å; Q165-T168 PolarHBondContact O-N 2.94Å; Q165-T168 PolarHBondContact O-OG1 3.23Å; T168-Y170 PolarHBondContact O-N 3.44Å; T168-H171 WeakPolarHBondContact O-CB 3.48Å; T168-H171 PolarHBondContact O-N 2.92Å; T168-H171 VanDerWaalsContact O-N 3.12Å
169	T	81.5	Confident	79.3	Confident	59 Å²	59	86.7 Å²	86.7	36%	0.362	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.6	176.2	49.7	0	0	0	0	113.5	R163 Q165 H171	R163-T169 WeakPolarHBondContact O-CG2 3.29Å; Q165-T169 WeakPolarHBondContact O-CG2 3.46Å; Q165-T169 PolarHBondContact O-N 3.48Å; Q165-T169 VanDerWaalsContact O-N 3.08Å; T169-H171 VanDerWaalsContact C-N 3.35Å
170	Y	79.2	Confident	77.7	Confident	208 Å²	208	96.2 Å²	96.2	82%	0.816	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	3.7	-179.3	-55.6	-76.9	0	0	0	113.4	T168	T168-Y170 PolarHBondContact O-N 3.44Å
171	H	86.3	Confident	76.1	Confident	44 Å²	44	96.1 Å²	96.1	20%	0.204	46%	0.463	C	S	.	.			trans	-75	129.4	-179.5	-70.2	-168.3	0	0	0	111.1	C147 T149 H162 T168 T169 M173	C147-H171 PolarHBondContact SG-ND1 3.21Å; T149-H171 VanDerWaalsContact CG2-CD2 3.49Å; T149-H171 WeakPolarHBondContact CG2-CD2 3.42Å; T149-H171 WeakPolarHBondContact OG1-CA 3.44Å; H162-H171 AromaticContact CE1-ND1 3.55Å; H162-H171 AromaticContact NE2-CG 3.79Å; H162-H171 AromaticContact NE2-ND1 3.24Å; H162-H171 PolarHBondContact NE2-ND1 3.22Å; T168-H171 WeakPolarHBondContact O-CB 3.48Å; T168-H171 PolarHBondContact O-N 2.92Å; T168-H171 VanDerWaalsContact O-N 3.12Å; T169-H171 VanDerWaalsContact C-N 3.35Å; H171-M173 PolarHBondContact O-N 3.04Å
172	T	82.1	Confident	74.5	Confident	76 Å²	76	100.3 Å²	100.3	47%	0.466	47%	0.469	S	S	.	.			trans	-73.1	123.4	177.7	-51.5	0	0	0	0	109.8	C147 Q148 T149	C147-T172 CarbonylContact C-O 3.55Å; C147-T172 WeakPolarHBondContact CA-O 3.41Å; Q148-T172 PolarHBondContact N-O 3.3Å; T149-T172 PolarHBondContact OG1-N 3.16Å; T149-T172 VanDerWaalsContact OG1-N 3.12Å
173	M	80.6	Confident	72.7	Confident	22 Å²	22	104.9 Å²	104.9	11%	0.108	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.4	177	-62	-59.5	-57	0	0	109.8	K145 R146 C147 L154 C159 R163 H171	K145-M173 HydrophobicContact CB-CE 3.76Å; R146-M173 WeakPolarHBondContact O-CA 3.14Å; C147-M173 WeakPolarHBondContact CA-SD 3.21Å; C147-M173 HydrophobicContact CB-CE 4.01Å; C147-M173 HydrophobicContact CB-SD 3.49Å; C147-M173 WeakPolarHBondContact CB-SD 3.27Å; L154-M173 HydrophobicContact CB-CE 4.37Å; L154-M173 HydrophobicContact CD1-CE 3.74Å; L154-M173 HydrophobicContact CD1-SD 4.28Å; L154-M173 HydrophobicContact CG-CE 4.26Å; C159-M173 HydrophobicContact CB-CE 4.38Å; R163-M173 HydrophobicContact CG-CG 4.42Å; H171-M173 PolarHBondContact O-N 3.04Å
174	V	79.2	Confident	71.2	Confident	27 Å²	27	110.2 Å²	110.2	16%	0.164	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.7	177.6	176.7	0	0	0	0	109.4	K145 R146 Q148 L179	K145-V174 CarbonylContact C-O 3.53Å; K145-V174 WeakPolarHBondContact CA-O 3.4Å; R146-V174 PolarHBondContact N-O 3.18Å; R146-V174 PolarHBondContact O-N 3.39Å; Q148-V174 HydrophobicContact CG-CG2 3.8Å; V174-L179 HydrophobicContact CG1-CD2 3.92Å; V174-L179 HydrophobicContact CG1-CG 4.2Å
175	D	75.9	Confident	70.1	Confident	58 Å²	58	102 Å²	102	31%	0.31	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.3	173.5	-78.4	-69.1	0	0	0	110.5	K145 K177 D178	K145-D175 WeakPolarHBondContact CE-OD1 3.38Å; K145-D175 WeakPolarHBondContact CG-OD1 3.28Å; K145-D175 IonicContact NZ-OD1 3.38Å; K145-D175 PolarHBondContact NZ-OD1 3.19Å; K145-D175 IonicContact NZ-OD2 3.9Å; K145-D175 PolarHBondContact NZ-OD2 2.99Å; D175-K177 PolarHBondContact O-N 2.98Å; D175-K177 VanDerWaalsContact O-N 3.14Å; D175-D178 PolarHBondContact O-N 2.92Å
176	L	70.7	Confident	69	Low	27 Å²	27	97.6 Å²	97.6	14%	0.141	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.2	-178.3	-67.6	179.2	0	0	0	112.7	L126 V143 E144 R146 D178 L179	L126-L176 HydrophobicContact CD2-CD1 4.2Å; L126-L176 HydrophobicContact CD2-CD2 3.65Å; L126-L176 HydrophobicContact CD2-CG 4.38Å; V143-L176 HydrophobicContact CB-CD1 3.9Å; V143-L176 HydrophobicContact CG1-CD1 3.59Å; V143-L176 HydrophobicContact CG1-CD2 4.3Å; V143-L176 HydrophobicContact CG1-CG 4.21Å; V143-L176 VanDerWaalsContact O-CD1 3.24Å; V143-L176 WeakPolarHBondContact O-CD1 3.34Å; E144-L176 WeakPolarHBondContact O-CG 3.16Å; E144-L176 PolarHBondContact O-N 3.15Å; E144-L176 VanDerWaalsContact O-N 3.11Å; R146-L176 HydrophobicContact CB-CD2 4.1Å; L176-D178 VanDerWaalsContact C-N 3.28Å; L176-D178 PolarHBondContact O-N 3.49Å; L176-L179 HydrophobicContact CB-CD1 4.46Å; L176-L179 HydrophobicContact CD2-CD1 3.63Å
177	K	64.2	Low	68.4	Low	180 Å²	180	93.1 Å²	93.1	78%	0.783	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-67.9	-25.1	178.3	-62.7	-178.4	-179.9	-179.7	0	113.3	D175	D175-K177 PolarHBondContact O-N 2.98Å; D175-K177 VanDerWaalsContact O-N 3.14Å
178	D	66.9	Low	68.2	Low	116 Å²	116	86.3 Å²	86.3	62%	0.62	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-97.1	2.2	-174.8	-60.6	-26.9	0	0	0	113	D175 L176 K180	D175-D178 PolarHBondContact O-N 2.92Å; L176-D178 VanDerWaalsContact C-N 3.28Å; L176-D178 PolarHBondContact O-N 3.49Å; D178-K180 PolarHBondContact O-N 3.23Å; D178-K180 VanDerWaalsContact O-N 3.15Å
179	L	60.8	Low	68.2	Low	21 Å²	21	88.8 Å²	88.8	11%	0.11	45%	0.447	C	S	.	.			trans	-75.1	5.3	-178.8	-73.8	169.3	0	0	0	114.6	V174 L176 G181 Y182 I185	V174-L179 HydrophobicContact CG1-CD2 3.92Å; V174-L179 HydrophobicContact CG1-CG 4.2Å; L176-L179 HydrophobicContact CB-CD1 4.46Å; L176-L179 HydrophobicContact CD2-CD1 3.63Å; L179-G181 PolarHBondContact O-N 3.35Å; L179-Y182 HydrophobicContact CD2-CD2 4.4Å; L179-Y182 PolarHBondContact O-N 3.47Å; L179-I185 HydrophobicContact CD1-CD1 4.38Å
180	K	51.4	Low	68.4	Low	204 Å²	204	90.4 Å²	90.4	89%	0.887	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-0	-172.1	-71.5	-174.1	178.4	-177.9	0	116.2	D178	D178-K180 PolarHBondContact O-N 3.23Å; D178-K180 VanDerWaalsContact O-N 3.15Å
181	G	51.2	Low	68.8	Low	70 Å²	70	80.8 Å²	80.8	72%	0.722	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	0.6	179.1	0	0	0	0	0	116.5	L179	L179-G181 PolarHBondContact O-N 3.35Å
182	Y	51.9	Low	68.7	Low	137 Å²	137	84.3 Å²	84.3	54%	0.537	44%	0.443	S	S	.	.			trans	-103.6	122.5	-174.5	-71.9	-89.2	0	0	0	112.5	L179	L179-Y182 HydrophobicContact CD2-CD2 4.4Å; L179-Y182 PolarHBondContact O-N 3.47Å
183	S	49	Very low	68.8	Low	113 Å²	113	85.8 Å²	85.8	79%	0.79	45%	0.451	S	S	*	.	S	Bend	trans	-90.4	-1.5	-178.2	43.4	0	0	0	0	114.9
184	R	54.6	Low	69.2	Low	236 Å²	236	87.5 Å²	87.5	89%	0.891	46%	0.459	S	S	*	.			trans	-136.1	86.6	-178.9	-67.9	-175.6	177.7	-178.5	-0.4	112.5
185	I	59.8	Low	69.4	Low	20 Å²	20	90.6 Å²	90.6	10%	0.103	48%	0.48	C	S	.	.			trans	-102.7	66.1	172	-50.8	-179.6	0	0	0	108.2	M122 L123 L126 L179	M122-I185 HydrophobicContact CE-CG2 3.89Å; M122-I185 HydrophobicContact SD-CG2 4.42Å; L123-I185 HydrophobicContact CD1-CD1 3.77Å; L123-I185 HydrophobicContact CD1-CG1 4.45Å; L126-I185 HydrophobicContact CD1-CD1 3.62Å; L126-I185 HydrophobicContact CD1-CG2 4.15Å; L179-I185 HydrophobicContact CD1-CD1 4.38Å
186	G	61.3	Low	69.8	Low	24 Å²	24	92.2 Å²	92.2	25%	0.247	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-87.4	129.3	-179.7	0	0	0	0	0	112
187	K	67.6	Low	70.6	Confident	104 Å²	104	93.9 Å²	93.9	45%	0.452	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-67.1	147	159.9	-72.3	-168.4	177.1	-166.1	0	109.1	M122 D136 I189	M122-K187 HydrophobicContact SD-CG 4.22Å; D136-K187 IonicContact OD1-NZ 3.06Å; K187-I189 PolarHBondContact O-N 2.92Å
188	P	75.1	Confident	71.7	Confident	49 Å²	49	87.4 Å²	87.4	32%	0.318	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-58.7	134.3	172	26.4	-33.1	0	0	0	109.5	L190 E198	P188-L190 PolarHBondContact O-N 3.23Å; P188-E198 VanDerWaalsContact CB-CD 3.44Å; P188-E198 HydrophobicContact CB-CG 3.84Å; P188-E198 WeakPolarHBondContact CB-OE1 3.2Å
189	I	83.6	Confident	72.7	Confident	70 Å²	70	83.4 Å²	83.4	36%	0.359	46%	0.459	S	S	.	.			trans	-83.5	115.8	176.7	-57.3	175.7	0	0	0	107.3	H115 K187 L199	H115-I189 HydrophobicContact CB-CD1 4.16Å; K187-I189 PolarHBondContact O-N 2.92Å; I189-L199 HydrophobicContact CG2-CD1 3.92Å; I189-L199 PolarHBondContact O-N 2.98Å
190	L	85.8	Confident	74	Confident	92 Å²	92	88.4 Å²	88.4	48%	0.482	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-87.2	150.4	-175.5	-57.8	173.7	0	0	0	111	P188 P195 E197	P188-L190 PolarHBondContact O-N 3.23Å; L190-P195 WeakPolarHBondContact CD1-O 3.37Å; L190-E197 WeakPolarHBondContact CA-O 3.42Å
191	C	87.2	Confident	75.9	Confident	6 Å²	6	79.8 Å²	79.8	4%	0.041	44%	0.44	C	S	.	.			trans	-70.7	130.7	177.7	-178.4	0	0	0	0	110.8	V193 H194 P195 E197 L199 C211	C191-V193 PolarHBondContact O-N 3.1Å; C191-V193 PolarHBondContact SG-N 2.9Å; C191-H194 HydrophobicContact CB-CB 4.13Å; C191-H194 WeakPolarHBondContact CB-O 3.33Å; C191-H194 CarbonylContact O-C 3.6Å; C191-H194 PolarHBondContact O-N 3.42Å; C191-H194 PolarHBondContact SG-N 3.26Å; C191-P195 WeakPolarHBondContact O-CA 3.35Å; C191-E197 PolarHBondContact N-O 3.46Å; C191-L199 HydrophobicContact CB-CD2 3.74Å; C191-L199 HydrophobicContact CB-CG 4.35Å; C191-C211 HydrophobicContact CB-CB 3.9Å
192	P	83.6	Confident	77.9	Confident	119 Å²	119	77.7 Å²	77.7	77%	0.773	41%	0.411	S	S	*	.	S	Bend	trans	-61.8	-29.5	176.1	-24.2	33.9	0	0	0	114
193	V	85.4	Confident	79.8	Confident	106 Å²	106	71.2 Å²	71.2	64%	0.642	39%	0.386	S	S	*	.	S	Bend	trans	-87.5	-34.8	179.8	-176.6	0	0	0	0	111.5	C191 P195	C191-V193 PolarHBondContact O-N 3.1Å; C191-V193 PolarHBondContact SG-N 2.9Å; V193-P195 WeakPolarHBondContact O-CD 3.27Å
194	H	87	Confident	81.7	Confident	58 Å²	58	70.6 Å²	70.6	27%	0.269	37%	0.37	S	S	.	.	S	Bend	trans	-123.2	83.1	-179.6	-54.7	109.9	0	0	0	109.9	C191 A196 E197 C211 D213 C214	C191-H194 HydrophobicContact CB-CB 4.13Å; C191-H194 WeakPolarHBondContact CB-O 3.33Å; C191-H194 CarbonylContact O-C 3.6Å; C191-H194 PolarHBondContact O-N 3.42Å; C191-H194 PolarHBondContact SG-N 3.26Å; H194-A196 PolarHBondContact O-N 3.5Å; H194-E197 HydrophobicContact CB-CB 4.12Å; H194-E197 HydrophobicContact CB-CG 4.31Å; H194-E197 PolarHBondContact O-N 3.41Å; H194-C211 PolarHBondContact ND1-SG 3.43Å; H194-C211 VanDerWaalsContact ND1-SG 3.36Å; H194-D213 HydrophobicContact CB-CB 4.48Å; H194-C214 PolarHBondContact ND1-SG 3.13Å; H194-C214 VanDerWaalsContact ND1-SG 3.36Å
195	P	84.1	Confident	83.3	Confident	92 Å²	92	66.6 Å²	66.6	60%	0.597	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	-169.9	-26.3	35.4	0	0	0	115.3	L190 C191 V193	L190-P195 WeakPolarHBondContact CD1-O 3.37Å; C191-P195 WeakPolarHBondContact O-CA 3.35Å; V193-P195 WeakPolarHBondContact O-CD 3.27Å
196	A	83.9	Confident	84.7	Confident	93 Å²	93	67.6 Å²	67.6	77%	0.769	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-14.5	176.9	0	0	0	0	0	113.7	H194	H194-A196 PolarHBondContact O-N 3.5Å
197	E	87.4	Confident	86	Confident	62 Å²	62	71.7 Å²	71.7	29%	0.29	39%	0.385	S	S	.	.	S	Bend	trans	-106.4	141	-172.6	-71.5	-62.9	129.3	0	0	112.7	L190 C191 H194 C211 D213	L190-E197 WeakPolarHBondContact CA-O 3.42Å; C191-E197 PolarHBondContact N-O 3.46Å; H194-E197 HydrophobicContact CB-CB 4.12Å; H194-E197 HydrophobicContact CB-CG 4.31Å; H194-E197 PolarHBondContact O-N 3.41Å; E197-C211 HydrophobicContact CB-CB 3.76Å; E197-D213 WeakPolarHBondContact CG-OD2 3.5Å
198	E	87.9	Confident	87.1	Confident	44 Å²	44	72.7 Å²	72.7	21%	0.206	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-87.1	140.1	177.6	-172.7	178.3	-165.9	0	0	111.5	K151 P188 R200	K151-E198 IonicContact NZ-OE1 2.85Å; P188-E198 VanDerWaalsContact CB-CD 3.44Å; P188-E198 HydrophobicContact CB-CG 3.84Å; P188-E198 WeakPolarHBondContact CB-OE1 3.2Å; E198-R200 HydrophobicContact CB-CG 4.25Å; E198-R200 HydrophobicContact CG-CG 4Å; E198-R200 PolarHBondContact O-N 3.1Å; E198-R200 VanDerWaalsContact O-N 3.12Å; E198-R200 IonicContact OE2-CZ 2.61Å; E198-R200 IonicContact OE2-NE 2.86Å; E198-R200 PolarHBondContact OE2-NE 3.16Å; E198-R200 IonicContact OE2-NH2 2.69Å; E198-R200 PolarHBondContact OE2-NH2 3.47Å
199	L	88.8	Confident	87.8	Confident	31 Å²	31	73.6 Å²	73.6	16%	0.162	39%	0.391	C	S	.	.			trans	-73.9	99.8	172.7	-63	178.6	0	0	0	110.1	I189 C191 P209 C211	I189-L199 HydrophobicContact CG2-CD1 3.92Å; I189-L199 PolarHBondContact O-N 2.98Å; C191-L199 HydrophobicContact CB-CD2 3.74Å; C191-L199 HydrophobicContact CB-CG 4.35Å; L199-P209 HydrophobicContact CB-CB 4.32Å; L199-P209 HydrophobicContact CD1-CB 4.31Å; L199-P209 HydrophobicContact CD1-CG 4.23Å; L199-C211 HydrophobicContact CD2-CB 4.22Å
200	R	87.8	Confident	88.1	Confident	127 Å²	127	70.4 Å²	70.4	48%	0.479	38%	0.375	S	S	.	.			trans	-119.6	-12.3	-179.6	-65	-173	-180	-178.1	3.8	114.2	E198 V210 T227	E198-R200 HydrophobicContact CB-CG 4.25Å; E198-R200 HydrophobicContact CG-CG 4Å; E198-R200 PolarHBondContact O-N 3.1Å; E198-R200 VanDerWaalsContact O-N 3.12Å; E198-R200 IonicContact OE2-CZ 2.61Å; E198-R200 IonicContact OE2-NE 2.86Å; E198-R200 PolarHBondContact OE2-NE 3.16Å; E198-R200 IonicContact OE2-NH2 2.69Å; E198-R200 PolarHBondContact OE2-NH2 3.47Å; R200-V210 PolarHBondContact N-O 3.42Å; R200-T227 PolarHBondContact O-N 2.93Å; R200-T227 PolarHBondContact O-OG1 3Å
201	L	90.8	Very high	88.5	Confident	23 Å²	23	66.1 Å²	66.1	12%	0.12	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	156	-178.7	-60.7	168.7	0	0	0	108.9	P209 V210 R212 V215 D225 F226	L201-P209 CarbonylContact O-C 3.55Å; L201-P209 WeakPolarHBondContact O-CA 3.4Å; L201-V210 HydrophobicContact CB-CG2 3.86Å; L201-V210 PolarHBondContact N-O 3.14Å; L201-V210 VanDerWaalsContact N-O 3.12Å; L201-V210 PolarHBondContact O-N 3.2Å; L201-V210 VanDerWaalsContact O-O 3.09Å; L201-R212 HydrophobicContact CD1-CG 4.33Å; L201-V215 HydrophobicContact CD1-CG2 3.68Å; L201-D225 CarbonylContact C-O 3.58Å; L201-D225 VanDerWaalsContact CA-O 3.32Å; L201-D225 WeakPolarHBondContact CA-O 3.47Å; L201-F226 HydrophobicContact CD2-CD1 3.76Å; L201-F226 HydrophobicContact CD2-CD2 4.45Å; L201-F226 HydrophobicContact CD2-CE1 3.87Å; L201-F226 HydrophobicContact CD2-CG 4.07Å; L201-F226 HydrophobicContact CD2-CZ 4.27Å
202	F	93.1	Very high	88.6	Confident	26 Å²	26	72.7 Å²	72.7	11%	0.114	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.1	175.5	-173.5	-95.6	0	0	0	108.8	E204 D207 C224 D225 T227 V230 H234	F202-E204 HydrophobicContact CD1-CG 4.46Å; F202-D207 WeakPolarHBondContact CZ-OD1 3.48Å; F202-C224 VanDerWaalsContact O-CA 3.22Å; F202-C224 WeakPolarHBondContact O-CA 3.35Å; F202-D225 PolarHBondContact N-O 2.75Å; F202-D225 PolarHBondContact O-N 3.1Å; F202-D225 VanDerWaalsContact O-N 3.11Å; F202-T227 HydrophobicContact CB-CG2 4.24Å; F202-V230 HydrophobicContact CB-CG2 3.7Å; F202-V230 HydrophobicContact CD1-CG2 4.14Å; F202-V230 HydrophobicContact CG-CG2 4Å; F202-H234 AromaticContact CE1-CE1 3.96Å; F202-H234 AromaticContact CE1-NE2 3.71Å
203	C	92.3	Very high	89	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	112.7	177.2	177.7	0	0	0	0	109	F205 C206 D207 R208 V210 H219 H222	C203-F205 VanDerWaalsContact C-N 3.32Å; C203-F205 PolarHBondContact O-N 3.04Å; C203-C206 HydrophobicContact CB-CB 4.3Å; C203-C206 PolarHBondContact O-N 3.07Å; C203-D207 PolarHBondContact O-N 2.79Å; C203-R208 PolarHBondContact N-O 3.12Å; C203-R208 PolarHBondContact O-N 2.91Å; C203-V210 HydrophobicContact CB-CG1 4Å; C203-V210 HydrophobicContact CB-CG2 4.19Å; C203-H219 PolarHBondContact SG-ND1 2.83Å; C203-H222 WeakPolarHBondContact SG-CB 3.3Å
204	E	88.1	Confident	89.2	Confident	100 Å²	100	66.1 Å²	66.1	47%	0.467	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.6	-176.6	-59.1	-170.9	159.9	0	0	112.2	F202 P223	F202-E204 HydrophobicContact CD1-CG 4.46Å; E204-P223 HydrophobicContact CB-CG 4.19Å; E204-P223 PolarHBondContact N-O 3.06Å
205	F	88.6	Confident	89.3	Confident	152 Å²	152	65.3 Å²	65.3	67%	0.667	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-35.5	179.9	-175.6	-98.1	0	0	0	112.9	C203 H222 P223	C203-F205 VanDerWaalsContact C-N 3.32Å; C203-F205 PolarHBondContact O-N 3.04Å; F205-H222 HydrophobicContact CB-CB 4.19Å; F205-H222 AromaticContact CD1-CD2 3.44Å; F205-H222 VanDerWaalsContact CD1-CD2 3.44Å; F205-H222 WeakPolarHBondContact CD1-CD2 3.4Å; F205-H222 AromaticContact CD1-CE1 3.83Å; F205-H222 AromaticContact CD1-NE2 3.3Å; F205-H222 VanDerWaalsContact CD1-NE2 3.3Å; F205-H222 WeakPolarHBondContact CD1-NE2 3.43Å; F205-H222 AromaticContact CE1-NE2 3.61Å; F205-H222 AromaticContact CG-CD2 3.87Å; F205-P223 HydrophobicContact CB-CG 4.37Å
206	C	89.4	Confident	89.4	Confident	42 Å²	42	66.4 Å²	66.4	28%	0.284	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	1	-179.9	-61.5	0	0	0	0	113.7	C203 R208 H219 H222	C203-C206 HydrophobicContact CB-CB 4.3Å; C203-C206 PolarHBondContact O-N 3.07Å; C206-R208 HydrophobicContact CB-CG 3.89Å; C206-R208 PolarHBondContact O-N 3.3Å; C206-R208 VanDerWaalsContact O-N 3.16Å; C206-H219 PolarHBondContact SG-CE1 3.46Å; C206-H222 PolarHBondContact SG-CE1 3.1Å; C206-H222 PolarHBondContact SG-ND1 3.47Å; C206-H222 VanDerWaalsContact SG-ND1 3.42Å
207	D	89	Confident	89.6	Confident	110 Å²	110	64.2 Å²	64.2	59%	0.588	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	43.6	-177.7	-160.2	39.8	0	0	0	113.5	F202 C203 H234	F202-D207 WeakPolarHBondContact CZ-OD1 3.48Å; C203-D207 PolarHBondContact O-N 2.79Å; D207-H234 IonicContact OD1-CE1 3.75Å
208	R	89.5	Confident	89.5	Confident	125 Å²	125	69 Å²	69	47%	0.472	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	149.3	-175.9	72.7	-175.8	-174.1	-172.4	-4	113.7	C203 C206 V210 H219	C203-R208 PolarHBondContact N-O 3.12Å; C203-R208 PolarHBondContact O-N 2.91Å; C206-R208 HydrophobicContact CB-CG 3.89Å; C206-R208 PolarHBondContact O-N 3.3Å; C206-R208 VanDerWaalsContact O-N 3.16Å; R208-V210 HydrophobicContact CG-CG1 4.23Å; R208-H219 PolarHBondContact NE-CE1 3.01Å; R208-H219 VanDerWaalsContact NE-CE1 3.29Å; R208-H219 PolarHBondContact NE-NE2 3.18Å; R208-H219 PolarHBondContact NH2-CE1 3.02Å; R208-H219 VanDerWaalsContact NH2-CE1 3.35Å; R208-H219 PolarHBondContact NH2-NE2 2.81Å
209	P	90.1	Very high	89.4	Confident	68 Å²	68	67.1 Å²	67.1	44%	0.442	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	139.8	172.4	29.6	-34.4	0	0	0	111.5	L199 L201	L199-P209 HydrophobicContact CB-CB 4.32Å; L199-P209 HydrophobicContact CD1-CB 4.31Å; L199-P209 HydrophobicContact CD1-CG 4.23Å; L201-P209 CarbonylContact O-C 3.55Å; L201-P209 WeakPolarHBondContact O-CA 3.4Å
210	V	91.3	Very high	89.3	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.018	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.6	-177.9	-62.1	0	0	0	0	111.3	R200 L201 C203 R208 C214 V215	R200-V210 PolarHBondContact N-O 3.42Å; L201-V210 HydrophobicContact CB-CG2 3.86Å; L201-V210 PolarHBondContact N-O 3.14Å; L201-V210 VanDerWaalsContact N-O 3.12Å; L201-V210 PolarHBondContact O-N 3.2Å; L201-V210 VanDerWaalsContact O-O 3.09Å; C203-V210 HydrophobicContact CB-CG1 4Å; C203-V210 HydrophobicContact CB-CG2 4.19Å; R208-V210 HydrophobicContact CG-CG1 4.23Å; V210-C214 HydrophobicContact CB-CB 3.92Å; V210-C214 HydrophobicContact CG1-CB 4.44Å; V210-V215 HydrophobicContact CG2-CG2 3.75Å
211	C	92.2	Very high	89.3	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.007	38%	0.382	C	S	.	.			trans	-94.9	176.3	172.1	72.8	0	0	0	0	111.6	C191 H194 E197 L199 D213 C214 V215	C191-C211 HydrophobicContact CB-CB 3.9Å; H194-C211 PolarHBondContact ND1-SG 3.43Å; H194-C211 VanDerWaalsContact ND1-SG 3.36Å; E197-C211 HydrophobicContact CB-CB 3.76Å; L199-C211 HydrophobicContact CD2-CB 4.22Å; C211-D213 VanDerWaalsContact C-N 3.34Å; C211-D213 PolarHBondContact O-N 2.85Å; C211-C214 WeakPolarHBondContact O-CB 3.46Å; C211-C214 PolarHBondContact O-N 2.73Å; C211-C214 PolarHBondContact SG-N 2.92Å; C211-C214 PolarHBondContact SG-SG 3.47Å; C211-V215 PolarHBondContact O-N 3.3Å
212	R	90.4	Very high	89.4	Confident	145 Å²	145	79.4 Å²	79.4	55%	0.547	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-42.1	179.7	-69.5	178.1	172.1	-172.7	-4.4	112.5	L201 C214 V215 V216	L201-R212 HydrophobicContact CD1-CG 4.33Å; R212-C214 PolarHBondContact O-N 2.84Å; R212-V215 PolarHBondContact O-N 2.93Å; R212-V216 PolarHBondContact O-N 2.91Å
213	D	90.9	Very high	89.2	Confident	74 Å²	74	81.4 Å²	81.4	40%	0.396	40%	0.404	S	S	.	.	H	α-helix	trans	-67.6	-35.7	179.3	-65	-7.5	0	0	0	112	H194 E197 C211 V215 V216 G217	H194-D213 HydrophobicContact CB-CB 4.48Å; E197-D213 WeakPolarHBondContact CG-OD2 3.5Å; C211-D213 VanDerWaalsContact C-N 3.34Å; C211-D213 PolarHBondContact O-N 2.85Å; D213-V215 VanDerWaalsContact C-N 3.29Å; D213-V215 PolarHBondContact O-N 3.16Å; D213-V216 PolarHBondContact O-N 2.67Å; D213-G217 PolarHBondContact O-N 3.3Å
214	C	89.7	Confident	89.1	Confident	13 Å²	13	83.3 Å²	83.3	9%	0.088	42%	0.417	C	S	.	.	H	α-helix	trans	-62	-36.3	174	-73.5	0	0	0	0	112.6	H194 V210 C211 R212 V216 G217 E218 H219	H194-C214 PolarHBondContact ND1-SG 3.13Å; H194-C214 VanDerWaalsContact ND1-SG 3.36Å; V210-C214 HydrophobicContact CB-CB 3.92Å; V210-C214 HydrophobicContact CG1-CB 4.44Å; C211-C214 WeakPolarHBondContact O-CB 3.46Å; C211-C214 PolarHBondContact O-N 2.73Å; C211-C214 PolarHBondContact SG-N 2.92Å; C211-C214 PolarHBondContact SG-SG 3.47Å; R212-C214 PolarHBondContact O-N 2.84Å; C214-V216 VanDerWaalsContact C-N 3.32Å; C214-G217 CarbonylContact O-C 3.21Å; C214-G217 PolarHBondContact O-N 3.46Å; C214-E218 PolarHBondContact O-N 2.99Å; C214-H219 WeakPolarHBondContact O-CB 3.48Å; C214-H219 PolarHBondContact O-N 3.42Å
215	V	89.3	Confident	89.2	Confident	40 Å²	40	81.5 Å²	81.5	24%	0.242	41%	0.411	C	S	.	.	H	α-helix	trans	-68.2	-33.8	177.8	175.9	0	0	0	0	111.3	L201 V210 C211 R212 D213 H219 R220 C224	L201-V215 HydrophobicContact CD1-CG2 3.68Å; V210-V215 HydrophobicContact CG2-CG2 3.75Å; C211-V215 PolarHBondContact O-N 3.3Å; R212-V215 PolarHBondContact O-N 2.93Å; D213-V215 VanDerWaalsContact C-N 3.29Å; D213-V215 PolarHBondContact O-N 3.16Å; V215-H219 CarbonylContact O-C 3.55Å; V215-R220 WeakPolarHBondContact O-CA 3.3Å; V215-R220 PolarHBondContact O-N 2.87Å; V215-C224 HydrophobicContact CG2-CB 4.21Å
216	V	87.8	Confident	89.2	Confident	116 Å²	116	79 Å²	79	70%	0.703	40%	0.399	S	S	*	.	H	α-helix	trans	-77.4	-28.5	177.3	-177.5	0	0	0	0	112	R212 D213 C214	R212-V216 PolarHBondContact O-N 2.91Å; D213-V216 PolarHBondContact O-N 2.67Å; C214-V216 VanDerWaalsContact C-N 3.32Å
217	G	88.3	Confident	89.1	Confident	46 Å²	46	79.6 Å²	79.6	47%	0.474	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-107.8	177.2	0	0	0	0	0	113.5	D213 C214 H219 R220	D213-G217 PolarHBondContact O-N 3.3Å; C214-G217 CarbonylContact O-C 3.21Å; C214-G217 PolarHBondContact O-N 3.46Å; G217-H219 PolarHBondContact O-N 3.5Å; G217-H219 VanDerWaalsContact O-N 3.11Å; G217-R220 PolarHBondContact O-N 3.07Å
218	E	83.9	Confident	88.9	Confident	164 Å²	164	77.8 Å²	77.8	77%	0.766	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.5	-171.4	-64.5	-68.1	132.3	0	0	115.1	C214	C214-E218 PolarHBondContact O-N 2.99Å
219	H	86.9	Confident	88.8	Confident	3 Å²	3	76.1 Å²	76.1	1%	0.014	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	24.5	-177	-65.2	-98.7	0	0	0	113.7	C203 C206 R208 C214 V215 G217 E221 H222	C203-H219 PolarHBondContact SG-ND1 2.83Å; C206-H219 PolarHBondContact SG-CE1 3.46Å; R208-H219 PolarHBondContact NE-CE1 3.01Å; R208-H219 VanDerWaalsContact NE-CE1 3.29Å; R208-H219 PolarHBondContact NE-NE2 3.18Å; R208-H219 PolarHBondContact NH2-CE1 3.02Å; R208-H219 VanDerWaalsContact NH2-CE1 3.35Å; R208-H219 PolarHBondContact NH2-NE2 2.81Å; C214-H219 WeakPolarHBondContact O-CB 3.48Å; C214-H219 PolarHBondContact O-N 3.42Å; V215-H219 CarbonylContact O-C 3.55Å; G217-H219 PolarHBondContact O-N 3.5Å; G217-H219 VanDerWaalsContact O-N 3.11Å; H219-E221 VanDerWaalsContact C-N 3.27Å; H219-E221 PolarHBondContact O-N 2.71Å; H219-H222 HydrophobicContact CB-CB 4.37Å; H219-H222 AromaticContact CG-ND1 3.77Å; H219-H222 AromaticContact ND1-ND1 3.21Å; H219-H222 PolarHBondContact ND1-ND1 3.41Å; H219-H222 PolarHBondContact O-N 3.02Å; H219-H222 VanDerWaalsContact O-N 3.15Å
220	R	86	Confident	88.7	Confident	203 Å²	203	73.6 Å²	73.6	77%	0.766	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-35.2	-173.7	-173.3	175.3	177.4	-174.1	-1.1	115.2	V215 G217	V215-R220 WeakPolarHBondContact O-CA 3.3Å; V215-R220 PolarHBondContact O-N 2.87Å; G217-R220 PolarHBondContact O-N 3.07Å
221	E	87.4	Confident	88.5	Confident	180 Å²	180	78.2 Å²	78.2	84%	0.841	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	6.2	-177.5	-61.2	-171.1	167.7	0	0	113.1	H219	H219-E221 VanDerWaalsContact C-N 3.27Å; H219-E221 PolarHBondContact O-N 2.71Å
222	H	92.4	Very high	88.3	Confident	56 Å²	56	84 Å²	84	26%	0.259	43%	0.432	S	S	.	.	S	Bend	trans	-92.3	141.2	-178.5	-61.4	151.5	0	0	0	112	C203 F205 C206 H219 C224	C203-H222 WeakPolarHBondContact SG-CB 3.3Å; F205-H222 HydrophobicContact CB-CB 4.19Å; F205-H222 AromaticContact CD1-CD2 3.44Å; F205-H222 VanDerWaalsContact CD1-CD2 3.44Å; F205-H222 WeakPolarHBondContact CD1-CD2 3.4Å; F205-H222 AromaticContact CD1-CE1 3.83Å; F205-H222 AromaticContact CD1-NE2 3.3Å; F205-H222 VanDerWaalsContact CD1-NE2 3.3Å; F205-H222 WeakPolarHBondContact CD1-NE2 3.43Å; F205-H222 AromaticContact CE1-NE2 3.61Å; F205-H222 AromaticContact CG-CD2 3.87Å; C206-H222 PolarHBondContact SG-CE1 3.1Å; C206-H222 PolarHBondContact SG-ND1 3.47Å; C206-H222 VanDerWaalsContact SG-ND1 3.42Å; H219-H222 HydrophobicContact CB-CB 4.37Å; H219-H222 AromaticContact CG-ND1 3.77Å; H219-H222 AromaticContact ND1-ND1 3.21Å; H219-H222 PolarHBondContact ND1-ND1 3.41Å; H219-H222 PolarHBondContact O-N 3.02Å; H219-H222 VanDerWaalsContact O-N 3.15Å; H222-C224 PolarHBondContact O-N 2.82Å; H222-C224 VanDerWaalsContact O-N 3.15Å; H222-C224 PolarHBondContact O-SG 3.05Å
223	P	89.3	Confident	88.1	Confident	69 Å²	69	84.5 Å²	84.5	45%	0.448	44%	0.438	S	S	.	.			trans	-62.1	118.1	172.2	25.6	-33.1	0	0	0	109.9	E204 F205	E204-P223 HydrophobicContact CB-CG 4.19Å; E204-P223 PolarHBondContact N-O 3.06Å; F205-P223 HydrophobicContact CB-CG 4.37Å
224	C	90.8	Very high	87.9	Confident	40 Å²	40	84.4 Å²	84.4	27%	0.27	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.4	179.4	-59.6	0	0	0	0	110.5	F202 V215 H222	F202-C224 VanDerWaalsContact O-CA 3.22Å; F202-C224 WeakPolarHBondContact O-CA 3.35Å; V215-C224 HydrophobicContact CG2-CB 4.21Å; H222-C224 PolarHBondContact O-N 2.82Å; H222-C224 VanDerWaalsContact O-N 3.15Å; H222-C224 PolarHBondContact O-SG 3.05Å
225	D	89.9	Confident	87.7	Confident	62 Å²	62	84.3 Å²	84.3	33%	0.332	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	166.9	175	-165.2	3.2	0	0	0	110.3	L201 F202 N229 V230	L201-D225 CarbonylContact C-O 3.58Å; L201-D225 VanDerWaalsContact CA-O 3.32Å; L201-D225 WeakPolarHBondContact CA-O 3.47Å; F202-D225 PolarHBondContact N-O 2.75Å; F202-D225 PolarHBondContact O-N 3.1Å; F202-D225 VanDerWaalsContact O-N 3.11Å; D225-N229 PolarHBondContact OD1-ND2 3.29Å; D225-N229 WeakPolarHBondContact OD2-CB 3.42Å; D225-N229 PolarHBondContact OD2-ND2 3.41Å; D225-V230 HydrophobicContact CB-CG1 3.97Å
226	F	89.7	Confident	87.7	Confident	98 Å²	98	86.2 Å²	86.2	43%	0.43	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.7	176.1	-70.9	-81.4	0	0	0	111.2	L201 S228 N229 V230	L201-F226 HydrophobicContact CD2-CD1 3.76Å; L201-F226 HydrophobicContact CD2-CD2 4.45Å; L201-F226 HydrophobicContact CD2-CE1 3.87Å; L201-F226 HydrophobicContact CD2-CG 4.07Å; L201-F226 HydrophobicContact CD2-CZ 4.27Å; F226-S228 PolarHBondContact O-N 2.72Å; F226-S228 VanDerWaalsContact O-N 3.11Å; F226-N229 WeakPolarHBondContact O-CB 3.3Å; F226-N229 PolarHBondContact O-N 2.9Å; F226-V230 PolarHBondContact O-N 2.87Å
227	T	87.1	Confident	87.9	Confident	55 Å²	55	84.1 Å²	84.1	34%	0.337	44%	0.436	S	S	.	.	H	α-helix	trans	-55.5	-33.2	177.8	51.5	0	0	0	0	112.3	R200 F202 N229 I231	R200-T227 PolarHBondContact O-N 2.93Å; R200-T227 PolarHBondContact O-OG1 3Å; F202-T227 HydrophobicContact CB-CG2 4.24Å; T227-N229 PolarHBondContact O-N 2.65Å; T227-I231 WeakPolarHBondContact O-CB 3.41Å; T227-I231 WeakPolarHBondContact O-CG2 3.32Å; T227-I231 PolarHBondContact O-N 3.28Å
228	S	84.9	Confident	88	Confident	73 Å²	73	86.6 Å²	86.6	51%	0.51	44%	0.442	S	S	.	.	H	α-helix	trans	-61.4	-29.2	175.3	54.3	0	0	0	0	114	F226	F226-S228 PolarHBondContact O-N 2.72Å; F226-S228 VanDerWaalsContact O-N 3.11Å
229	N	86.7	Confident	88.4	Confident	90 Å²	90	84.3 Å²	84.3	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-85.2	-40.8	-176.9	-61.7	-6.9	0	0	0	110.6	D225 F226 T227	D225-N229 PolarHBondContact OD1-ND2 3.29Å; D225-N229 WeakPolarHBondContact OD2-CB 3.42Å; D225-N229 PolarHBondContact OD2-ND2 3.41Å; F226-N229 WeakPolarHBondContact O-CB 3.3Å; F226-N229 PolarHBondContact O-N 2.9Å; T227-N229 PolarHBondContact O-N 2.65Å
230	V	88.6	Confident	88.6	Confident	14 Å²	14	89.3 Å²	89.3	9%	0.085	45%	0.45	C	S	.	.	H	α-helix	trans	-86.4	-22.6	-174.8	-59.5	0	0	0	0	114	F202 D225 F226 H232 K233 H234	F202-V230 HydrophobicContact CB-CG2 3.7Å; F202-V230 HydrophobicContact CD1-CG2 4.14Å; F202-V230 HydrophobicContact CG-CG2 4Å; D225-V230 HydrophobicContact CB-CG1 3.97Å; F226-V230 PolarHBondContact O-N 2.87Å; V230-H232 PolarHBondContact O-N 3.27Å; V230-H232 VanDerWaalsContact O-N 3.12Å; V230-K233 PolarHBondContact O-N 2.73Å; V230-K233 VanDerWaalsContact O-N 3.15Å; V230-H234 PolarHBondContact O-CD2 3.37Å; V230-H234 PolarHBondContact O-N 2.99Å
231	I	86.9	Confident	88.9	Confident	100 Å²	100	85.4 Å²	85.4	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-60.3	-28.1	-174.2	-171.5	57.3	0	0	0	113.4	T227 G235	T227-I231 WeakPolarHBondContact O-CB 3.41Å; T227-I231 WeakPolarHBondContact O-CG2 3.32Å; T227-I231 PolarHBondContact O-N 3.28Å; I231-G235 WeakPolarHBondContact O-CA 3.12Å; I231-G235 PolarHBondContact O-N 3.08Å
232	H	86.5	Confident	89.2	Confident	123 Å²	123	82 Å²	82	57%	0.569	43%	0.43	S	S	*	.	H	α-helix	trans	-63.2	-49.4	177.5	-72	-78.2	0	0	0	111	V230 G235 D236	V230-H232 PolarHBondContact O-N 3.27Å; V230-H232 VanDerWaalsContact O-N 3.12Å; H232-G235 PolarHBondContact O-N 2.7Å; H232-D236 WeakPolarHBondContact O-CB 3.16Å; H232-D236 PolarHBondContact O-N 3.38Å; H232-D236 VanDerWaalsContact O-OD2 3.09Å
233	K	86.3	Confident	89.2	Confident	155 Å²	155	85.5 Å²	85.5	67%	0.674	44%	0.444	S	S	*	.	H	α-helix	trans	-61	-52	179.1	-177.1	-176	176.4	-172.2	0	112.3	V230 D236 S237	V230-K233 PolarHBondContact O-N 2.73Å; V230-K233 VanDerWaalsContact O-N 3.15Å; K233-D236 PolarHBondContact O-N 3.34Å; K233-S237 PolarHBondContact O-N 2.93Å; K233-S237 VanDerWaalsContact O-N 3.17Å
234	H	87.6	Confident	89.4	Confident	72 Å²	72	84.3 Å²	84.3	33%	0.333	45%	0.445	S	S	.	.	H	α-helix	trans	-67.3	-38.2	179.3	-70.9	-92.5	0	0	0	111.6	F202 D207 V230 S237 V238	F202-H234 AromaticContact CE1-CE1 3.96Å; F202-H234 AromaticContact CE1-NE2 3.71Å; D207-H234 IonicContact OD1-CE1 3.75Å; V230-H234 PolarHBondContact O-CD2 3.37Å; V230-H234 PolarHBondContact O-N 2.99Å; H234-S237 PolarHBondContact O-N 2.91Å; H234-V238 WeakPolarHBondContact O-CG2 3.45Å; H234-V238 PolarHBondContact O-N 3.28Å
235	G	86.4	Confident	89.5	Confident	12 Å²	12	86.2 Å²	86.2	12%	0.124	46%	0.455	C	S	.	.	H	α-helix	trans	-66	-37.2	176.6	0	0	0	0	0	113.3	I231 H232 V238 R239	I231-G235 WeakPolarHBondContact O-CA 3.12Å; I231-G235 PolarHBondContact O-N 3.08Å; H232-G235 PolarHBondContact O-N 2.7Å; G235-V238 PolarHBondContact O-N 2.94Å; G235-R239 WeakPolarHBondContact O-CB 3.15Å; G235-R239 WeakPolarHBondContact O-CG 3.26Å; G235-R239 VanDerWaalsContact O-CZ 3.31Å; G235-R239 PolarHBondContact O-N 2.86Å; G235-R239 PolarHBondContact O-NH1 3.4Å
236	D	89	Confident	89.6	Confident	80 Å²	80	87.3 Å²	87.3	43%	0.428	46%	0.459	S	S	.	.	H	α-helix	trans	-66.1	-42.5	175.2	-74.5	-31.5	0	0	0	111	H232 K233 V238 R239 E240	H232-D236 WeakPolarHBondContact O-CB 3.16Å; H232-D236 PolarHBondContact O-N 3.38Å; H232-D236 VanDerWaalsContact O-OD2 3.09Å; K233-D236 PolarHBondContact O-N 3.34Å; D236-V238 VanDerWaalsContact C-N 3.32Å; D236-V238 PolarHBondContact O-N 3.42Å; D236-R239 PolarHBondContact O-N 3.39Å; D236-R239 VanDerWaalsContact O-N 3.15Å; D236-R239 IonicContact OD1-CZ 3.02Å; D236-R239 VanDerWaalsContact OD1-CZ 3.26Å; D236-R239 IonicContact OD1-NE 3.23Å; D236-R239 PolarHBondContact OD1-NE 2.87Å; D236-R239 VanDerWaalsContact OD1-NE 3.11Å; D236-R239 IonicContact OD1-NH2 2.9Å; D236-R239 PolarHBondContact OD1-NH2 3.44Å; D236-E240 WeakPolarHBondContact O-CG 3.3Å; D236-E240 PolarHBondContact O-N 3.38Å
237	S	91.8	Very high	89.9	Confident	72 Å²	72	85.9 Å²	85.9	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-57.2	-43.9	174.6	-170.5	0	0	0	0	112.5	K233 H234 L241	K233-S237 PolarHBondContact O-N 2.93Å; K233-S237 VanDerWaalsContact O-N 3.17Å; H234-S237 PolarHBondContact O-N 2.91Å; S237-L241 WeakPolarHBondContact O-CG 3.38Å; S237-L241 PolarHBondContact O-N 3.34Å
238	V	90.6	Very high	90.2	Very high	97 Å²	97	89.4 Å²	89.4	59%	0.588	47%	0.471	S	S	*	.	H	α-helix	trans	-68.4	-38.6	177.1	175.7	0	0	0	0	111.3	H234 G235 D236 L241 L242	H234-V238 WeakPolarHBondContact O-CG2 3.45Å; H234-V238 PolarHBondContact O-N 3.28Å; G235-V238 PolarHBondContact O-N 2.94Å; D236-V238 VanDerWaalsContact C-N 3.32Å; D236-V238 PolarHBondContact O-N 3.42Å; V238-L241 PolarHBondContact O-N 2.93Å; V238-L242 WeakPolarHBondContact O-CB 3.35Å; V238-L242 PolarHBondContact O-N 3.31Å
239	R	90.9	Very high	90.6	Very high	116 Å²	116	88.7 Å²	88.7	44%	0.438	46%	0.464	S	S	.	.	H	α-helix	trans	-63.3	-40.2	176	-80	-175.7	-74.6	-82	7.6	112.3	G235 D236 L242 K243	G235-R239 WeakPolarHBondContact O-CB 3.15Å; G235-R239 WeakPolarHBondContact O-CG 3.26Å; G235-R239 VanDerWaalsContact O-CZ 3.31Å; G235-R239 PolarHBondContact O-N 2.86Å; G235-R239 PolarHBondContact O-NH1 3.4Å; D236-R239 PolarHBondContact O-N 3.39Å; D236-R239 VanDerWaalsContact O-N 3.15Å; D236-R239 IonicContact OD1-CZ 3.02Å; D236-R239 VanDerWaalsContact OD1-CZ 3.26Å; D236-R239 IonicContact OD1-NE 3.23Å; D236-R239 PolarHBondContact OD1-NE 2.87Å; D236-R239 VanDerWaalsContact OD1-NE 3.11Å; D236-R239 IonicContact OD1-NH2 2.9Å; D236-R239 PolarHBondContact OD1-NH2 3.44Å; R239-L242 PolarHBondContact O-N 2.81Å; R239-K243 WeakPolarHBondContact O-CG 3.45Å; R239-K243 PolarHBondContact O-N 3.21Å
240	E	92.1	Very high	91	Very high	109 Å²	109	89.4 Å²	89.4	51%	0.509	46%	0.464	S	S	.	.	H	α-helix	trans	-66	-42.4	176.5	-70.6	-54.2	126.8	0	0	111.8	D236 L242 K243 G244	D236-E240 WeakPolarHBondContact O-CG 3.3Å; D236-E240 PolarHBondContact O-N 3.38Å; E240-L242 VanDerWaalsContact C-N 3.31Å; E240-L242 PolarHBondContact O-N 3.23Å; E240-K243 PolarHBondContact O-N 3.35Å; E240-K243 IonicContact OE1-NZ 3.12Å; E240-K243 PolarHBondContact OE1-NZ 3.12Å; E240-G244 PolarHBondContact O-N 2.98Å
241	L	93.2	Very high	91.3	Very high	121 Å²	121	91.5 Å²	91.5	63%	0.634	48%	0.483	S	S	*	.	H	α-helix	trans	-60.9	-39.9	172.8	-70.6	172.6	0	0	0	112.2	S237 V238 G244 T245	S237-L241 WeakPolarHBondContact O-CG 3.38Å; S237-L241 PolarHBondContact O-N 3.34Å; V238-L241 PolarHBondContact O-N 2.93Å; L241-G244 PolarHBondContact O-N 2.94Å; L241-T245 PolarHBondContact O-N 2.84Å; L241-T245 PolarHBondContact O-OG1 3.33Å
242	L	93.1	Very high	91.7	Very high	108 Å²	108	92.3 Å²	92.3	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-64.3	-44	175.1	-176.6	65.5	0	0	0	111.7	V238 R239 E240 G244 T245 Q246	V238-L242 WeakPolarHBondContact O-CB 3.35Å; V238-L242 PolarHBondContact O-N 3.31Å; R239-L242 PolarHBondContact O-N 2.81Å; E240-L242 VanDerWaalsContact C-N 3.31Å; E240-L242 PolarHBondContact O-N 3.23Å; L242-G244 VanDerWaalsContact C-N 3.27Å; L242-G244 PolarHBondContact O-N 3.47Å; L242-T245 PolarHBondContact O-N 3.08Å; L242-T245 VanDerWaalsContact O-N 3.11Å; L242-Q246 WeakPolarHBondContact O-CB 3.36Å; L242-Q246 PolarHBondContact O-N 3.06Å
243	K	92.5	Very high	92.1	Very high	129 Å²	129	92.1 Å²	92.1	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-59.9	-36.2	174.9	-75.4	175.7	-174.1	170.8	0	112.4	R239 E240 P247	R239-K243 WeakPolarHBondContact O-CG 3.45Å; R239-K243 PolarHBondContact O-N 3.21Å; E240-K243 PolarHBondContact O-N 3.35Å; E240-K243 IonicContact OE1-NZ 3.12Å; E240-K243 PolarHBondContact OE1-NZ 3.12Å; K243-P247 WeakPolarHBondContact O-CD 3.27Å
244	G	93.3	Very high	92.6	Very high	44 Å²	44	90.3 Å²	90.3	45%	0.454	48%	0.481	S	S	.	.	H	α-helix	trans	-70.9	-33	174.2	0	0	0	0	0	113.4	E240 L241 L242 H248	E240-G244 PolarHBondContact O-N 2.98Å; L241-G244 PolarHBondContact O-N 2.94Å; L242-G244 VanDerWaalsContact C-N 3.27Å; L242-G244 PolarHBondContact O-N 3.47Å; G244-H248 PolarHBondContact O-CE1 3.2Å; G244-H248 PolarHBondContact O-ND1 2.9Å
245	T	92.8	Very high	93	Very high	80 Å²	80	88.8 Å²	88.8	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-82.2	-34.2	-177.1	-52.7	0	0	0	0	112.5	L241 L242 H248 V249	L241-T245 PolarHBondContact O-N 2.84Å; L241-T245 PolarHBondContact O-OG1 3.33Å; L242-T245 PolarHBondContact O-N 3.08Å; L242-T245 VanDerWaalsContact O-N 3.11Å; T245-H248 WeakPolarHBondContact O-CB 3.37Å; T245-H248 PolarHBondContact O-N 3.13Å; T245-V249 PolarHBondContact O-N 3.17Å
246	Q	93	Very high	93.5	Very high	86 Å²	86	93.3 Å²	93.3	40%	0.402	50%	0.502	S	S	.	.	H	α-helix	trans	-55.6	-44.7	-175.5	-175.2	65.9	28	0	0	114.4	L242 H248 V249 E250	L242-Q246 WeakPolarHBondContact O-CB 3.36Å; L242-Q246 PolarHBondContact O-N 3.06Å; Q246-H248 PolarHBondContact O-N 3.2Å; Q246-V249 WeakPolarHBondContact O-CB 3.26Å; Q246-V249 PolarHBondContact O-N 3.48Å; Q246-V249 VanDerWaalsContact O-N 3.09Å; Q246-E250 PolarHBondContact NE2-OE1 2.9Å; Q246-E250 PolarHBondContact O-N 3.02Å; Q246-E250 VanDerWaalsContact O-N 3.13Å
247	P	94.6	Very high	93.9	Very high	68 Å²	68	91.9 Å²	91.9	44%	0.442	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-28.7	176.6	-23.6	34.2	0	0	0	113.6	K243 V249 E250 A251	K243-P247 WeakPolarHBondContact O-CD 3.27Å; P247-V249 VanDerWaalsContact C-N 3.34Å; P247-E250 PolarHBondContact O-N 2.87Å; P247-A251 VanDerWaalsContact O-CB 3.26Å; P247-A251 WeakPolarHBondContact O-CB 3.36Å; P247-A251 PolarHBondContact O-N 2.92Å
248	H	94.2	Very high	94.1	Very high	128 Å²	128	93.6 Å²	93.6	59%	0.593	50%	0.501	S	S	*	.	H	α-helix	trans	-69.8	-36.1	176.5	-64.6	81.6	0	0	0	111	G244 T245 Q246 L252	G244-H248 PolarHBondContact O-CE1 3.2Å; G244-H248 PolarHBondContact O-ND1 2.9Å; T245-H248 WeakPolarHBondContact O-CB 3.37Å; T245-H248 PolarHBondContact O-N 3.13Å; Q246-H248 PolarHBondContact O-N 3.2Å; H248-L252 WeakPolarHBondContact O-CB 3.44Å; H248-L252 VanDerWaalsContact O-CG 3.25Å; H248-L252 WeakPolarHBondContact O-CG 3.12Å; H248-L252 PolarHBondContact O-N 3.04Å
249	V	93.5	Very high	94.4	Very high	59 Å²	59	94 Å²	94	36%	0.358	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-49.5	173.8	179.2	0	0	0	0	110	T245 Q246 P247 A251 L252 E253	T245-V249 PolarHBondContact O-N 3.17Å; Q246-V249 WeakPolarHBondContact O-CB 3.26Å; Q246-V249 PolarHBondContact O-N 3.48Å; Q246-V249 VanDerWaalsContact O-N 3.09Å; P247-V249 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.24Å; V249-L252 PolarHBondContact O-N 2.78Å; V249-E253 HydrophobicContact CG1-CG 4.46Å; V249-E253 WeakPolarHBondContact O-CG 3.26Å; V249-E253 PolarHBondContact O-N 2.93Å
250	E	93.9	Very high	94.6	Very high	105 Å²	105	93.6 Å²	93.6	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-60.3	-44.1	178.9	-69.3	170.1	-166.5	0	0	111.9	Q246 P247 L252 E253 E254	Q246-E250 PolarHBondContact NE2-OE1 2.9Å; Q246-E250 PolarHBondContact O-N 3.02Å; Q246-E250 VanDerWaalsContact O-N 3.13Å; P247-E250 PolarHBondContact O-N 2.87Å; E250-L252 VanDerWaalsContact C-N 3.33Å; E250-L252 PolarHBondContact O-N 2.85Å; E250-E253 PolarHBondContact O-N 3.45Å; E250-E254 WeakPolarHBondContact O-CB 3.46Å; E250-E254 PolarHBondContact O-N 2.87Å
251	A	95.6	Very high	94.9	Very high	57 Å²	57	93.9 Å²	93.9	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-38.2	176.8	0	0	0	0	0	112.6	P247 V249 A255	P247-A251 VanDerWaalsContact O-CB 3.26Å; P247-A251 WeakPolarHBondContact O-CB 3.36Å; P247-A251 PolarHBondContact O-N 2.92Å; V249-A251 PolarHBondContact O-N 3.24Å; A251-A255 VanDerWaalsContact O-CB 3.28Å; A251-A255 WeakPolarHBondContact O-CB 3.26Å; A251-A255 PolarHBondContact O-N 3.41Å
252	L	95.1	Very high	95.1	Very high	117 Å²	117	94.4 Å²	94.4	61%	0.613	51%	0.51	S	S	*	.	H	α-helix	trans	-70.7	-41.6	176.6	-74.7	170.8	0	0	0	112	H248 V249 E250 E254 A255 L256	H248-L252 WeakPolarHBondContact O-CB 3.44Å; H248-L252 VanDerWaalsContact O-CG 3.25Å; H248-L252 WeakPolarHBondContact O-CG 3.12Å; H248-L252 PolarHBondContact O-N 3.04Å; V249-L252 PolarHBondContact O-N 2.78Å; E250-L252 VanDerWaalsContact C-N 3.33Å; E250-L252 PolarHBondContact O-N 2.85Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-A255 PolarHBondContact O-N 3.34Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.2Å; L252-L256 PolarHBondContact O-N 3.15Å
253	E	95.2	Very high	95.2	Very high	119 Å²	119	94 Å²	94	56%	0.556	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-43.7	174.8	-73.4	-179.4	164.7	0	0	111.2	V249 E250 L256 A257	V249-E253 HydrophobicContact CG1-CG 4.46Å; V249-E253 WeakPolarHBondContact O-CG 3.26Å; V249-E253 PolarHBondContact O-N 2.93Å; E250-E253 PolarHBondContact O-N 3.45Å; E253-L256 PolarHBondContact O-N 2.88Å; E253-A257 WeakPolarHBondContact O-CB 3.42Å; E253-A257 PolarHBondContact O-N 2.86Å
254	E	95.8	Very high	95.4	Very high	118 Å²	118	90.6 Å²	90.6	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-63.5	-47	175.4	-169.9	-176.8	172.5	0	0	111.4	E250 L252 L256 A257 Q258	E250-E254 WeakPolarHBondContact O-CB 3.46Å; E250-E254 PolarHBondContact O-N 2.87Å; L252-E254 VanDerWaalsContact C-N 3.34Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.44Å; E254-A257 WeakPolarHBondContact O-CB 3.31Å; E254-A257 PolarHBondContact O-N 3.25Å; E254-A257 VanDerWaalsContact O-N 3.16Å; E254-Q258 HydrophobicContact CG-CG 4.4Å; E254-Q258 WeakPolarHBondContact O-CG 3.46Å; E254-Q258 PolarHBondContact O-N 2.86Å; E254-Q258 PolarHBondContact OE1-NE2 3.38Å
255	A	97.2	Very high	95.6	Very high	40 Å²	40	90.5 Å²	90.5	33%	0.331	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-43.6	178.1	0	0	0	0	0	111.8	A251 L252 Q258 I259	A251-A255 VanDerWaalsContact O-CB 3.28Å; A251-A255 WeakPolarHBondContact O-CB 3.26Å; A251-A255 PolarHBondContact O-N 3.41Å; L252-A255 PolarHBondContact O-N 3.34Å; A255-Q258 PolarHBondContact O-N 3.06Å; A255-I259 VanDerWaalsContact O-CG1 3.26Å; A255-I259 WeakPolarHBondContact O-CG1 3.43Å; A255-I259 PolarHBondContact O-N 3.43Å
256	L	96.6	Very high	95.8	Very high	107 Å²	107	91.2 Å²	91.2	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-63.8	-41.6	175.6	-72.6	172.8	0	0	0	112	L252 E253 E254 I259 N260	L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.2Å; L252-L256 PolarHBondContact O-N 3.15Å; E253-L256 PolarHBondContact O-N 2.88Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.44Å; L256-I259 PolarHBondContact O-N 3.38Å; L256-N260 PolarHBondContact O-N 3.35Å; L256-N260 PolarHBondContact O-ND2 2.98Å; L256-N260 VanDerWaalsContact O-ND2 3.09Å
257	A	96.1	Very high	96	Very high	49 Å²	49	91.9 Å²	91.9	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-45	175.3	0	0	0	0	0	111.5	E253 E254 N260 I261	E253-A257 WeakPolarHBondContact O-CB 3.42Å; E253-A257 PolarHBondContact O-N 2.86Å; E254-A257 WeakPolarHBondContact O-CB 3.31Å; E254-A257 PolarHBondContact O-N 3.25Å; E254-A257 VanDerWaalsContact O-N 3.16Å; A257-N260 PolarHBondContact O-N 2.84Å; A257-I261 WeakPolarHBondContact O-CG1 3.3Å; A257-I261 PolarHBondContact O-N 3.45Å
258	Q	96.8	Very high	96.2	Very high	109 Å²	109	95.5 Å²	95.5	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-43.2	176.8	-71	-179.4	10.9	0	0	112.1	E254 A255 N260 I261 M262	E254-Q258 HydrophobicContact CG-CG 4.4Å; E254-Q258 WeakPolarHBondContact O-CG 3.46Å; E254-Q258 PolarHBondContact O-N 2.86Å; E254-Q258 PolarHBondContact OE1-NE2 3.38Å; A255-Q258 PolarHBondContact O-N 3.06Å; Q258-N260 VanDerWaalsContact C-N 3.32Å; Q258-N260 PolarHBondContact O-N 3.49Å; Q258-I261 PolarHBondContact O-N 3.29Å; Q258-M262 WeakPolarHBondContact O-CB 3.39Å; Q258-M262 PolarHBondContact O-N 2.86Å
259	I	97	Very high	96.3	Very high	105 Å²	105	98.2 Å²	98.2	54%	0.538	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-43.4	175.7	-71.6	166.7	0	0	0	110.7	A255 L256 M262 N263	A255-I259 VanDerWaalsContact O-CG1 3.26Å; A255-I259 WeakPolarHBondContact O-CG1 3.43Å; A255-I259 PolarHBondContact O-N 3.43Å; L256-I259 PolarHBondContact O-N 3.38Å; I259-M262 PolarHBondContact O-N 3.16Å; I259-N263 WeakPolarHBondContact O-CB 3.25Å; I259-N263 PolarHBondContact O-N 2.96Å
260	N	95.8	Very high	96.5	Very high	107 Å²	107	99.2 Å²	99.2	57%	0.572	52%	0.519	S	S	*	.	H	α-helix	trans	-64.1	-42.7	177.9	-74.1	-37.2	0	0	0	112.2	L256 A257 Q258 N263 S264	L256-N260 PolarHBondContact O-N 3.35Å; L256-N260 PolarHBondContact O-ND2 2.98Å; L256-N260 VanDerWaalsContact O-ND2 3.09Å; A257-N260 PolarHBondContact O-N 2.84Å; Q258-N260 VanDerWaalsContact C-N 3.32Å; Q258-N260 PolarHBondContact O-N 3.49Å; N260-N263 PolarHBondContact O-N 3.47Å; N260-S264 PolarHBondContact O-N 3.41Å
261	I	97.3	Very high	96.7	Very high	115 Å²	115	99.4 Å²	99.4	59%	0.59	52%	0.52	S	S	*	.	H	α-helix	trans	-59.7	-49.1	174.3	-68.3	165.6	0	0	0	109.8	A257 Q258 N263 S264 A265	A257-I261 WeakPolarHBondContact O-CG1 3.3Å; A257-I261 PolarHBondContact O-N 3.45Å; Q258-I261 PolarHBondContact O-N 3.29Å; I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 2.93Å; I261-S264 PolarHBondContact O-N 2.94Å; I261-S264 PolarHBondContact O-OG 2.95Å; I261-A265 PolarHBondContact O-N 3.48Å
262	M	96.9	Very high	96.8	Very high	132 Å²	132	99.2 Å²	99.2	65%	0.65	52%	0.518	S	S	*	.	H	α-helix	trans	-60.2	-43.5	179.4	-173	60.6	66.1	0	0	111.8	Q258 I259 S264 A265 L266	Q258-M262 WeakPolarHBondContact O-CB 3.39Å; Q258-M262 PolarHBondContact O-N 2.86Å; I259-M262 PolarHBondContact O-N 3.16Å; M262-S264 VanDerWaalsContact C-N 3.34Å; M262-S264 PolarHBondContact O-N 3.21Å; M262-A265 PolarHBondContact O-N 3.37Å; M262-L266 WeakPolarHBondContact O-CB 3.3Å; M262-L266 PolarHBondContact O-N 3.31Å
263	N	95.9	Very high	97	Very high	99 Å²	99	97.9 Å²	97.9	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-41.9	177.9	-165.7	32.9	0	0	0	111.3	I259 N260 I261 A265 L266 Q267	I259-N263 WeakPolarHBondContact O-CB 3.25Å; I259-N263 PolarHBondContact O-N 2.96Å; N260-N263 PolarHBondContact O-N 3.47Å; I261-N263 VanDerWaalsContact C-N 3.34Å; I261-N263 PolarHBondContact O-N 2.93Å; N263-A265 PolarHBondContact O-N 2.83Å; N263-L266 PolarHBondContact O-N 2.97Å; N263-Q267 WeakPolarHBondContact O-CB 3.32Å; N263-Q267 PolarHBondContact O-N 2.95Å
264	S	97.3	Very high	97.1	Very high	59 Å²	59	94.3 Å²	94.3	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-38.3	175.2	79.8	0	0	0	0	112.7	N260 I261 M262 Q267 K268	N260-S264 PolarHBondContact O-N 3.41Å; I261-S264 PolarHBondContact O-N 2.94Å; I261-S264 PolarHBondContact O-OG 2.95Å; M262-S264 VanDerWaalsContact C-N 3.34Å; M262-S264 PolarHBondContact O-N 3.21Å; S264-Q267 PolarHBondContact O-N 3.15Å; S264-K268 WeakPolarHBondContact O-CG 3.4Å; S264-K268 PolarHBondContact O-N 3Å; S264-K268 VanDerWaalsContact O-N 3.1Å
265	A	97.3	Very high	97.2	Very high	42 Å²	42	90.7 Å²	90.7	35%	0.347	50%	0.496	S	S	.	.	H	α-helix	trans	-69.1	-40.4	177.1	0	0	0	0	0	111.4	I261 M262 N263 K268 R269	I261-A265 PolarHBondContact O-N 3.48Å; M262-A265 PolarHBondContact O-N 3.37Å; N263-A265 PolarHBondContact O-N 2.83Å; A265-K268 PolarHBondContact O-N 3.35Å; A265-R269 WeakPolarHBondContact O-CG 3.45Å; A265-R269 PolarHBondContact O-N 3.41Å
266	L	97.4	Very high	97.2	Very high	95 Å²	95	94 Å²	94	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-46.9	174.2	179.5	61.3	0	0	0	110.8	M262 N263 K268 R269 V270	M262-L266 WeakPolarHBondContact O-CB 3.3Å; M262-L266 PolarHBondContact O-N 3.31Å; N263-L266 PolarHBondContact O-N 2.97Å; L266-K268 PolarHBondContact O-N 2.87Å; L266-R269 WeakPolarHBondContact O-CB 3.34Å; L266-R269 PolarHBondContact O-N 3.18Å; L266-R269 VanDerWaalsContact O-N 3.11Å; L266-V270 HydrophobicContact CD1-CG2 4.41Å; L266-V270 WeakPolarHBondContact O-CG2 3.39Å; L266-V270 PolarHBondContact O-N 3.46Å
267	Q	96.9	Very high	97.3	Very high	100 Å²	100	93 Å²	93	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-57.9	-47.2	178	-174.9	59.5	31.3	0	0	111.7	N263 S264 R269 V270 E271	N263-Q267 WeakPolarHBondContact O-CB 3.32Å; N263-Q267 PolarHBondContact O-N 2.95Å; S264-Q267 PolarHBondContact O-N 3.15Å; Q267-R269 VanDerWaalsContact C-N 3.3Å; Q267-R269 PolarHBondContact O-N 3.21Å; Q267-V270 PolarHBondContact O-N 3.04Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.35Å; Q267-E271 PolarHBondContact NE2-OE1 3.43Å; Q267-E271 WeakPolarHBondContact O-CG 3.35Å; Q267-E271 PolarHBondContact O-N 3.43Å
268	K	97.7	Very high	97.3	Very high	144 Å²	144	96.3 Å²	96.3	63%	0.626	51%	0.513	S	S	*	.	H	α-helix	trans	-60	-38.7	175.2	-72.9	176	-179.2	178.7	0	112.7	S264 A265 L266 E271 A272	S264-K268 WeakPolarHBondContact O-CG 3.4Å; S264-K268 PolarHBondContact O-N 3Å; S264-K268 VanDerWaalsContact O-N 3.1Å; A265-K268 PolarHBondContact O-N 3.35Å; L266-K268 PolarHBondContact O-N 2.87Å; K268-E271 PolarHBondContact O-N 3.27Å; K268-A272 WeakPolarHBondContact O-CB 3.44Å; K268-A272 PolarHBondContact O-N 3.4Å
269	R	97.4	Very high	97.3	Very high	185 Å²	185	95.5 Å²	95.5	70%	0.698	52%	0.516	S	S	*	.	H	α-helix	trans	-67.4	-40.6	176.7	-75.7	179	66.1	-174	0.1	112	A265 L266 Q267 E271 A272 V273	A265-R269 WeakPolarHBondContact O-CG 3.45Å; A265-R269 PolarHBondContact O-N 3.41Å; L266-R269 WeakPolarHBondContact O-CB 3.34Å; L266-R269 PolarHBondContact O-N 3.18Å; L266-R269 VanDerWaalsContact O-N 3.11Å; Q267-R269 VanDerWaalsContact C-N 3.3Å; Q267-R269 PolarHBondContact O-N 3.21Å; R269-E271 VanDerWaalsContact C-N 3.34Å; R269-A272 PolarHBondContact O-N 2.97Å; R269-V273 WeakPolarHBondContact O-CG2 3.42Å; R269-V273 PolarHBondContact O-N 2.89Å
270	V	98.1	Very high	97.3	Very high	80 Å²	80	96.3 Å²	96.3	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-45.3	175.6	171.2	0	0	0	0	110.3	L266 Q267 V273 A274	L266-V270 HydrophobicContact CD1-CG2 4.41Å; L266-V270 WeakPolarHBondContact O-CG2 3.39Å; L266-V270 PolarHBondContact O-N 3.46Å; Q267-V270 PolarHBondContact O-N 3.04Å; V270-V273 PolarHBondContact O-N 3.27Å; V270-A274 WeakPolarHBondContact O-CB 3.31Å; V270-A274 PolarHBondContact O-N 3.41Å
271	E	97.6	Very high	97.3	Very high	108 Å²	108	93.7 Å²	93.7	51%	0.505	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-43.5	176.9	-72.7	166.2	-167.8	0	0	112.4	Q267 K268 R269 A274 A275	Q267-E271 WeakPolarHBondContact CG-OE1 3.35Å; Q267-E271 PolarHBondContact NE2-OE1 3.43Å; Q267-E271 WeakPolarHBondContact O-CG 3.35Å; Q267-E271 PolarHBondContact O-N 3.43Å; K268-E271 PolarHBondContact O-N 3.27Å; R269-E271 VanDerWaalsContact C-N 3.34Å; E271-A274 PolarHBondContact O-N 2.91Å; E271-A275 PolarHBondContact O-N 2.9Å
272	A	98	Very high	97.2	Very high	53 Å²	53	94.5 Å²	94.5	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-48.1	176.9	0	0	0	0	0	112.1	K268 R269 A274 A275 D276	K268-A272 WeakPolarHBondContact O-CB 3.44Å; K268-A272 PolarHBondContact O-N 3.4Å; R269-A272 PolarHBondContact O-N 2.97Å; A272-A274 VanDerWaalsContact C-N 3.31Å; A272-A274 PolarHBondContact O-N 3.18Å; A272-A275 WeakPolarHBondContact O-CB 3.28Å; A272-A275 PolarHBondContact O-N 3.36Å; A272-D276 PolarHBondContact O-N 3.27Å
273	V	98.3	Very high	97.1	Very high	89 Å²	89	89.3 Å²	89.3	54%	0.539	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-36.8	178.1	174	0	0	0	0	111.3	R269 V270 A275 D276 V277	R269-V273 WeakPolarHBondContact O-CG2 3.42Å; R269-V273 PolarHBondContact O-N 2.89Å; V270-V273 PolarHBondContact O-N 3.27Å; V273-A275 VanDerWaalsContact C-N 3.33Å; V273-A275 PolarHBondContact O-N 2.93Å; V273-D276 PolarHBondContact O-N 3.37Å; V273-V277 WeakPolarHBondContact O-CG2 3.24Å; V273-V277 PolarHBondContact O-N 3.31Å
274	A	97.8	Very high	97.1	Very high	44 Å²	44	89.4 Å²	89.4	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-41.3	174.5	0	0	0	0	0	111.7	V270 E271 A272 V277 Q278	V270-A274 WeakPolarHBondContact O-CB 3.31Å; V270-A274 PolarHBondContact O-N 3.41Å; E271-A274 PolarHBondContact O-N 2.91Å; A272-A274 VanDerWaalsContact C-N 3.31Å; A272-A274 PolarHBondContact O-N 3.18Å; A274-V277 PolarHBondContact O-N 2.94Å; A274-Q278 WeakPolarHBondContact O-CG 3.26Å; A274-Q278 PolarHBondContact O-N 3.26Å
275	A	97.7	Very high	97	Very high	42 Å²	42	91 Å²	91	35%	0.347	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-39.4	175.5	0	0	0	0	0	112.3	E271 A272 V273 Q278 T279	E271-A275 PolarHBondContact O-N 2.9Å; A272-A275 WeakPolarHBondContact O-CB 3.28Å; A272-A275 PolarHBondContact O-N 3.36Å; V273-A275 VanDerWaalsContact C-N 3.33Å; V273-A275 PolarHBondContact O-N 2.93Å; A275-Q278 PolarHBondContact O-N 3.28Å; A275-T279 WeakPolarHBondContact O-CB 3.47Å; A275-T279 PolarHBondContact O-N 3.42Å; A275-T279 PolarHBondContact O-OG1 3.06Å
276	D	97.8	Very high	96.9	Very high	109 Å²	109	94.2 Å²	94.2	58%	0.583	49%	0.49	S	S	*	.	H	α-helix	trans	-62.1	-44.5	175.4	-68.7	-22.5	0	0	0	111.6	A272 V273 Q278 T279 F280	A272-D276 PolarHBondContact O-N 3.27Å; V273-D276 PolarHBondContact O-N 3.37Å; D276-Q278 PolarHBondContact O-N 2.92Å; D276-T279 PolarHBondContact O-N 2.9Å; D276-F280 WeakPolarHBondContact O-CB 3.29Å; D276-F280 PolarHBondContact O-N 3.44Å
277	V	97.6	Very high	96.9	Very high	86 Å²	86	89.7 Å²	89.7	52%	0.521	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-42.8	177.2	171.7	0	0	0	0	111.3	V273 A274 S281	V273-V277 WeakPolarHBondContact O-CG2 3.24Å; V273-V277 PolarHBondContact O-N 3.31Å; A274-V277 PolarHBondContact O-N 2.94Å; V277-S281 WeakPolarHBondContact O-CB 3.47Å; V277-S281 PolarHBondContact O-N 2.88Å; V277-S281 PolarHBondContact O-OG 3.47Å
278	Q	97.4	Very high	96.8	Very high	119 Å²	119	88.5 Å²	88.5	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-62.4	-49.8	176.5	-73.9	172	-2	0	0	110.9	A274 A275 D276 F280 S281 E282	A274-Q278 WeakPolarHBondContact O-CG 3.26Å; A274-Q278 PolarHBondContact O-N 3.26Å; A275-Q278 PolarHBondContact O-N 3.28Å; D276-Q278 PolarHBondContact O-N 2.92Å; Q278-F280 VanDerWaalsContact C-N 3.35Å; Q278-F280 PolarHBondContact O-N 3.02Å; Q278-S281 PolarHBondContact O-N 3.34Å; Q278-S281 VanDerWaalsContact O-N 3.12Å; Q278-E282 WeakPolarHBondContact O-CG 3.35Å; Q278-E282 PolarHBondContact O-N 3.43Å
279	T	96.6	Very high	96.7	Very high	92 Å²	92	85.8 Å²	85.8	56%	0.564	45%	0.452	S	S	*	.	H	α-helix	trans	-59.5	-43.8	-180	-55.2	0	0	0	0	111.9	A275 D276 G283	A275-T279 WeakPolarHBondContact O-CB 3.47Å; A275-T279 PolarHBondContact O-N 3.42Å; A275-T279 PolarHBondContact O-OG1 3.06Å; D276-T279 PolarHBondContact O-N 2.9Å; T279-G283 PolarHBondContact O-N 3.2Å
280	F	96.4	Very high	96.6	Very high	123 Å²	123	80.3 Å²	80.3	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-45.8	175.1	176.1	-92.7	0	0	0	111.7	D276 Q278 G283 Y284 Y386	D276-F280 WeakPolarHBondContact O-CB 3.29Å; D276-F280 PolarHBondContact O-N 3.44Å; Q278-F280 VanDerWaalsContact C-N 3.35Å; Q278-F280 PolarHBondContact O-N 3.02Å; F280-G283 PolarHBondContact O-N 2.9Å; F280-Y284 WeakPolarHBondContact O-CB 3.43Å; F280-Y284 PolarHBondContact O-N 3.49Å; F280-Y386 HydrophobicContact CD2-CE1 4.16Å; F280-Y386 AromaticContact CE2-CE1 3.61Å; F280-Y386 HydrophobicContact CE2-CE1 3.61Å; F280-Y386 AromaticContact CZ-CE1 3.94Å; F280-Y386 HydrophobicContact CZ-CE1 3.94Å; F280-Y386 PolarHBondContact O-OH 2.91Å
281	S	95.4	Very high	96.5	Very high	51 Å²	51	77.6 Å²	77.6	36%	0.357	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-43.9	-178.4	-58.1	0	0	0	0	111.9	V277 Q278 Y284 I285	V277-S281 WeakPolarHBondContact O-CB 3.47Å; V277-S281 PolarHBondContact O-N 2.88Å; V277-S281 PolarHBondContact O-OG 3.47Å; Q278-S281 PolarHBondContact O-N 3.34Å; Q278-S281 VanDerWaalsContact O-N 3.12Å; S281-Y284 PolarHBondContact O-N 2.94Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.32Å; S281-I285 PolarHBondContact O-N 3.4Å
282	E	95.9	Very high	96.4	Very high	132 Å²	132	78.2 Å²	78.2	62%	0.617	41%	0.414	S	S	*	.	H	α-helix	trans	-62	-43.5	175.7	-72.4	174.6	-176.4	0	0	111.7	Q278 Y284 I285 K286	Q278-E282 WeakPolarHBondContact O-CG 3.35Å; Q278-E282 PolarHBondContact O-N 3.43Å; E282-Y284 VanDerWaalsContact C-N 3.33Å; E282-Y284 PolarHBondContact O-N 3.45Å; E282-I285 PolarHBondContact O-N 3.09Å; E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 PolarHBondContact O-N 3.05Å
283	G	95.1	Very high	96.3	Very high	24 Å²	24	79.6 Å²	79.6	25%	0.247	41%	0.414	C	S	.	.	H	α-helix	trans	-60.3	-41.9	174.3	0	0	0	0	0	112.8	T279 F280 A287	T279-G283 PolarHBondContact O-N 3.2Å; F280-G283 PolarHBondContact O-N 2.9Å; G283-A287 PolarHBondContact O-N 3.27Å
284	Y	95.3	Very high	96.1	Very high	100 Å²	100	81.2 Å²	81.2	39%	0.392	41%	0.414	S	S	.	.	H	α-helix	trans	-68.4	-43.8	178.3	-172.4	-124.9	0	0	0	112.6	F280 S281 E282 K286 A287 I288 Y386	F280-Y284 WeakPolarHBondContact O-CB 3.43Å; F280-Y284 PolarHBondContact O-N 3.49Å; S281-Y284 PolarHBondContact O-N 2.94Å; E282-Y284 VanDerWaalsContact C-N 3.33Å; E282-Y284 PolarHBondContact O-N 3.45Å; Y284-K286 VanDerWaalsContact C-N 3.34Å; Y284-K286 PolarHBondContact O-N 3.07Å; Y284-A287 PolarHBondContact O-N 3.28Å; Y284-I288 HydrophobicContact CD1-CD1 3.88Å; Y284-I288 HydrophobicContact CE1-CD1 3.56Å; Y284-I288 HydrophobicContact CE2-CD1 4.23Å; Y284-I288 HydrophobicContact CE2-CG1 4.47Å; Y284-I288 HydrophobicContact CG-CD1 4.35Å; Y284-I288 WeakPolarHBondContact O-CG1 3.5Å; Y284-I288 PolarHBondContact O-N 2.88Å; Y284-Y386 AromaticContact CD2-CD1 3.46Å; Y284-Y386 HydrophobicContact CD2-CD1 3.46Å; Y284-Y386 VanDerWaalsContact CD2-CD1 3.46Å; Y284-Y386 HydrophobicContact CD2-CD2 4.39Å; Y284-Y386 HydrophobicContact CD2-CE1 4.02Å; Y284-Y386 AromaticContact CD2-CG 3.67Å; Y284-Y386 HydrophobicContact CD2-CG 3.67Å; Y284-Y386 HydrophobicContact CE2-CD1 4.17Å; Y284-Y386 HydrophobicContact CE2-CG 4.31Å; Y284-Y386 HydrophobicContact CG-CD1 4.32Å; Y284-Y386 HydrophobicContact CG-CE1 4.47Å
285	I	95.5	Very high	96	Very high	92 Å²	92	79.9 Å²	79.9	47%	0.472	40%	0.401	S	S	.	.	H	α-helix	trans	-57.9	-48.7	174.7	-70.7	165.7	0	0	0	109.9	S281 E282 A287 I288 E289	S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.32Å; S281-I285 PolarHBondContact O-N 3.4Å; E282-I285 PolarHBondContact O-N 3.09Å; I285-A287 VanDerWaalsContact C-N 3.31Å; I285-A287 PolarHBondContact O-N 3.35Å; I285-I288 WeakPolarHBondContact O-CB 3.4Å; I285-I288 PolarHBondContact O-N 3.43Å; I285-I288 VanDerWaalsContact O-N 3.09Å; I285-E289 HydrophobicContact CG2-CG 4.24Å; I285-E289 WeakPolarHBondContact O-CG 3.3Å; I285-E289 PolarHBondContact O-N 2.96Å
286	K	95.8	Very high	95.9	Very high	111 Å²	111	82.8 Å²	82.8	48%	0.483	41%	0.41	S	S	.	.	H	α-helix	trans	-57.9	-44	178.7	-172.1	-176.7	178.9	-168.1	0	112	E282 Y284 I288 E289 E290	E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 PolarHBondContact O-N 3.05Å; Y284-K286 VanDerWaalsContact C-N 3.34Å; Y284-K286 PolarHBondContact O-N 3.07Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 2.93Å; K286-E289 PolarHBondContact O-N 2.97Å; K286-E290 VanDerWaalsContact CE-OE1 3.3Å; K286-E290 WeakPolarHBondContact CE-OE1 3.41Å; K286-E290 WeakPolarHBondContact O-CG 3.48Å; K286-E290 PolarHBondContact O-N 3.14Å
287	A	95.9	Very high	95.8	Very high	0 Å²	0	84.4 Å²	84.4	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-61.6	-38.6	177.4	0	0	0	0	0	112.4	G283 Y284 I285 H291 C383 H384 Y386 I388	G283-A287 PolarHBondContact O-N 3.27Å; Y284-A287 PolarHBondContact O-N 3.28Å; I285-A287 VanDerWaalsContact C-N 3.31Å; I285-A287 PolarHBondContact O-N 3.35Å; A287-H291 WeakPolarHBondContact O-CB 3.48Å; A287-H291 PolarHBondContact O-N 2.97Å; A287-H291 VanDerWaalsContact O-N 3.14Å; A287-C383 HydrophobicContact CB-CB 4.36Å; A287-H384 HydrophobicContact CB-CB 4.21Å; A287-Y386 HydrophobicContact CB-CD2 3.64Å; A287-Y386 HydrophobicContact CB-CE2 4.34Å; A287-Y386 HydrophobicContact CB-CG 4.38Å; A287-I388 HydrophobicContact CB-CD1 4.18Å; A287-I388 VanDerWaalsContact O-CD1 3.31Å; A287-I388 WeakPolarHBondContact O-CD1 3.44Å
288	I	94.8	Very high	95.6	Very high	75 Å²	75	84 Å²	84	39%	0.385	40%	0.404	S	S	.	.	H	α-helix	trans	-67.6	-44.2	175.3	-68.7	169.1	0	0	0	111.2	Y284 I285 K286 H291 R292	Y284-I288 HydrophobicContact CD1-CD1 3.88Å; Y284-I288 HydrophobicContact CE1-CD1 3.56Å; Y284-I288 HydrophobicContact CE2-CD1 4.23Å; Y284-I288 HydrophobicContact CE2-CG1 4.47Å; Y284-I288 HydrophobicContact CG-CD1 4.35Å; Y284-I288 WeakPolarHBondContact O-CG1 3.5Å; Y284-I288 PolarHBondContact O-N 2.88Å; I285-I288 WeakPolarHBondContact O-CB 3.4Å; I285-I288 PolarHBondContact O-N 3.43Å; I285-I288 VanDerWaalsContact O-N 3.09Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 2.93Å; I288-H291 PolarHBondContact O-N 3.39Å; I288-R292 PolarHBondContact O-N 3.32Å
289	E	96	Very high	95.5	Very high	87 Å²	87	81.7 Å²	81.7	41%	0.407	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-44.4	179.7	-71.8	-175.5	142.5	0	0	111.9	I285 K286 H291 R292 D293	I285-E289 HydrophobicContact CG2-CG 4.24Å; I285-E289 WeakPolarHBondContact O-CG 3.3Å; I285-E289 PolarHBondContact O-N 2.96Å; K286-E289 PolarHBondContact O-N 2.97Å; E289-H291 VanDerWaalsContact C-N 3.32Å; E289-H291 PolarHBondContact O-N 3.31Å; E289-R292 WeakPolarHBondContact O-CB 3.35Å; E289-R292 PolarHBondContact O-N 3.03Å; E289-D293 VanDerWaalsContact O-CG 3.24Å; E289-D293 PolarHBondContact O-N 3.23Å
290	E	95.8	Very high	95.4	Very high	69 Å²	69	80.5 Å²	80.5	32%	0.322	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-38.8	175.1	-72.3	177.1	-177.7	0	0	112.2	K286 D293 K294 H384	K286-E290 VanDerWaalsContact CE-OE1 3.3Å; K286-E290 WeakPolarHBondContact CE-OE1 3.41Å; K286-E290 WeakPolarHBondContact O-CG 3.48Å; K286-E290 PolarHBondContact O-N 3.14Å; E290-D293 PolarHBondContact O-N 2.61Å; E290-K294 WeakPolarHBondContact O-CB 3.32Å; E290-K294 PolarHBondContact O-N 2.86Å; E290-H384 VanDerWaalsContact CD-CE1 3.45Å; E290-H384 IonicContact OE1-CE1 2.93Å; E290-H384 PolarHBondContact OE1-CE1 2.8Å; E290-H384 VanDerWaalsContact OE1-CE1 3.31Å; E290-H384 IonicContact OE2-CE1 3.76Å; E290-H384 PolarHBondContact OE2-CE1 3.03Å; E290-H384 IonicContact OE2-ND1 3.86Å; E290-H384 PolarHBondContact OE2-ND1 3.12Å
291	H	95.7	Very high	95.2	Very high	24 Å²	24	78.7 Å²	78.7	11%	0.111	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-42.9	175	-179.2	63.2	0	0	0	112.1	A287 I288 E289 D293 K294 L295 A380 I388 Y389 G390	A287-H291 WeakPolarHBondContact O-CB 3.48Å; A287-H291 PolarHBondContact O-N 2.97Å; A287-H291 VanDerWaalsContact O-N 3.14Å; I288-H291 PolarHBondContact O-N 3.39Å; E289-H291 VanDerWaalsContact C-N 3.32Å; E289-H291 PolarHBondContact O-N 3.31Å; H291-D293 VanDerWaalsContact C-N 3.31Å; H291-D293 PolarHBondContact O-N 3.06Å; H291-K294 WeakPolarHBondContact O-CB 3.15Å; H291-K294 PolarHBondContact O-N 3.49Å; H291-L295 VanDerWaalsContact NE2-CD1 3.33Å; H291-L295 WeakPolarHBondContact NE2-CD1 3.24Å; H291-L295 WeakPolarHBondContact O-CG 3.47Å; H291-L295 PolarHBondContact O-N 3.04Å; H291-A380 VanDerWaalsContact CE1-CB 3.48Å; H291-A380 WeakPolarHBondContact CE1-CB 3.36Å; H291-I388 HydrophobicContact CB-CD1 3.85Å; H291-I388 HydrophobicContact CB-CG2 3.91Å; H291-I388 WeakPolarHBondContact CD2-CG2 3.45Å; H291-I388 WeakPolarHBondContact NE2-CG2 3.3Å; H291-Y389 PolarHBondContact NE2-O 3.35Å; H291-G390 PolarHBondContact CE1-O 3.19Å; H291-G390 VanDerWaalsContact CE1-O 3.25Å; H291-G390 PolarHBondContact NE2-O 3.21Å
292	R	95.3	Very high	95	Very high	120 Å²	120	77.6 Å²	77.6	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-54.6	-50.3	172.8	175.1	-160.9	69.5	-154.9	-5.3	110.3	I288 E289 K294 L295 L296	I288-R292 PolarHBondContact O-N 3.32Å; E289-R292 WeakPolarHBondContact O-CB 3.35Å; E289-R292 PolarHBondContact O-N 3.03Å; R292-K294 VanDerWaalsContact C-N 3.31Å; R292-K294 PolarHBondContact O-N 3.36Å; R292-L295 PolarHBondContact O-N 3.49Å; R292-L296 HydrophobicContact CG-CD1 4.15Å; R292-L296 WeakPolarHBondContact O-CG 3.5Å; R292-L296 PolarHBondContact O-N 3.12Å
293	D	96.6	Very high	94.8	Very high	82 Å²	82	77.9 Å²	77.9	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-36.8	-176.9	-64.5	-10	0	0	0	111.3	E289 E290 H291 L296 K297	E289-D293 VanDerWaalsContact O-CG 3.24Å; E289-D293 PolarHBondContact O-N 3.23Å; E290-D293 PolarHBondContact O-N 2.61Å; H291-D293 VanDerWaalsContact C-N 3.31Å; H291-D293 PolarHBondContact O-N 3.06Å; D293-L296 PolarHBondContact O-N 3.38Å; D293-K297 WeakPolarHBondContact O-CB 3.37Å; D293-K297 PolarHBondContact O-N 2.73Å
294	K	94.9	Very high	94.7	Very high	124 Å²	124	80.2 Å²	80.2	54%	0.539	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-45.2	172.1	-176.2	-178.3	178.6	-176.9	0	112.2	E290 H291 R292 K297 Q298	E290-K294 WeakPolarHBondContact O-CB 3.32Å; E290-K294 PolarHBondContact O-N 2.86Å; H291-K294 WeakPolarHBondContact O-CB 3.15Å; H291-K294 PolarHBondContact O-N 3.49Å; R292-K294 VanDerWaalsContact C-N 3.31Å; R292-K294 PolarHBondContact O-N 3.36Å; K294-K297 PolarHBondContact O-N 3Å; K294-Q298 WeakPolarHBondContact O-CG 3.34Å; K294-Q298 PolarHBondContact O-N 3.27Å
295	L	95.1	Very high	94.5	Very high	16 Å²	16	81.8 Å²	81.8	8%	0.084	38%	0.382	C	S	.	.	H	α-helix	trans	-63.5	-43.6	176.9	-71.4	174.2	0	0	0	111.3	H291 R292 K297 Q298 L299 F374 I392	H291-L295 VanDerWaalsContact NE2-CD1 3.33Å; H291-L295 WeakPolarHBondContact NE2-CD1 3.24Å; H291-L295 WeakPolarHBondContact O-CG 3.47Å; H291-L295 PolarHBondContact O-N 3.04Å; R292-L295 PolarHBondContact O-N 3.49Å; L295-K297 VanDerWaalsContact C-N 3.3Å; L295-K297 PolarHBondContact O-N 2.93Å; L295-Q298 WeakPolarHBondContact O-CB 3.46Å; L295-Q298 PolarHBondContact O-N 3.38Å; L295-L299 PolarHBondContact O-N 3.01Å; L295-F374 HydrophobicContact CD1-CD2 4.42Å; L295-F374 HydrophobicContact CD1-CE2 3.6Å; L295-F374 HydrophobicContact CD1-CZ 4.29Å; L295-I392 HydrophobicContact CB-CD1 4Å; L295-I392 HydrophobicContact CD2-CD1 4.04Å; L295-I392 HydrophobicContact CD2-CG1 4.08Å; L295-I392 WeakPolarHBondContact O-CD1 3.4Å
296	L	95.8	Very high	94.2	Very high	103 Å²	103	79 Å²	79	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.8	-70.1	175.3	0	0	0	111.6	R292 D293 L299 E300	R292-L296 HydrophobicContact CG-CD1 4.15Å; R292-L296 WeakPolarHBondContact O-CG 3.5Å; R292-L296 PolarHBondContact O-N 3.12Å; D293-L296 PolarHBondContact O-N 3.38Å; L296-L299 WeakPolarHBondContact O-CB 3.33Å; L296-L299 PolarHBondContact O-N 2.96Å; L296-E300 PolarHBondContact O-N 3.43Å
297	K	95.8	Very high	94	Very high	142 Å²	142	78 Å²	78	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-62.2	-45.4	173	-174.3	177.8	178.5	179.1	0	112	D293 K294 L295 L299 E300 D301	D293-K297 WeakPolarHBondContact O-CB 3.37Å; D293-K297 PolarHBondContact O-N 2.73Å; K294-K297 PolarHBondContact O-N 3Å; L295-K297 VanDerWaalsContact C-N 3.3Å; L295-K297 PolarHBondContact O-N 2.93Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 2.9Å; K297-E300 WeakPolarHBondContact O-CB 3.16Å; K297-E300 PolarHBondContact O-N 3.04Å; K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 2.9Å
298	Q	93.6	Very high	93.8	Very high	78 Å²	78	82.1 Å²	82.1	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-59.8	-38.8	175.6	-74.8	178.8	-20.3	0	0	112.4	K294 L295 E300 D301 I302 I392	K294-Q298 WeakPolarHBondContact O-CG 3.34Å; K294-Q298 PolarHBondContact O-N 3.27Å; L295-Q298 WeakPolarHBondContact O-CB 3.46Å; L295-Q298 PolarHBondContact O-N 3.38Å; Q298-E300 VanDerWaalsContact C-N 3.33Å; Q298-D301 PolarHBondContact O-N 2.88Å; Q298-I302 WeakPolarHBondContact O-CD1 3.47Å; Q298-I302 VanDerWaalsContact O-CG1 3.24Å; Q298-I302 WeakPolarHBondContact O-CG1 3.46Å; Q298-I302 PolarHBondContact O-N 3.39Å; Q298-I392 HydrophobicContact CB-CD1 4.09Å
299	L	93.8	Very high	93.6	Very high	70 Å²	70	81 Å²	81	37%	0.366	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176.7	-175.1	62.4	0	0	0	111.4	L295 L296 K297 I302 R303 I372 I392	L295-L299 PolarHBondContact O-N 3.01Å; L296-L299 WeakPolarHBondContact O-CB 3.33Å; L296-L299 PolarHBondContact O-N 2.96Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 2.9Å; L299-I302 PolarHBondContact O-N 3.2Å; L299-R303 PolarHBondContact O-N 3.01Å; L299-I372 HydrophobicContact CD1-CD1 4.14Å; L299-I372 HydrophobicContact CD1-CG2 3.57Å; L299-I392 HydrophobicContact CB-CD1 3.94Å
300	E	94.9	Very high	93.4	Very high	67 Å²	67	80.2 Å²	80.2	31%	0.313	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-44.3	176.5	-174.5	50.3	-134.8	0	0	111.8	L296 K297 Q298 I302 R303 I304	L296-E300 PolarHBondContact O-N 3.43Å; K297-E300 WeakPolarHBondContact O-CB 3.16Å; K297-E300 PolarHBondContact O-N 3.04Å; Q298-E300 VanDerWaalsContact C-N 3.33Å; E300-I302 VanDerWaalsContact C-N 3.33Å; E300-I302 PolarHBondContact O-N 3.44Å; E300-R303 VanDerWaalsContact CD-NE 3.32Å; E300-R303 VanDerWaalsContact CD-NH2 3.26Å; E300-R303 WeakPolarHBondContact O-CB 3.33Å; E300-R303 PolarHBondContact O-N 3.01Å; E300-R303 VanDerWaalsContact O-N 3.15Å; E300-R303 IonicContact OE1-CZ 2.85Å; E300-R303 IonicContact OE1-NE 3.9Å; E300-R303 PolarHBondContact OE1-NE 2.96Å; E300-R303 IonicContact OE1-NH2 3.55Å; E300-R303 PolarHBondContact OE1-NH2 2.93Å; E300-R303 IonicContact OE2-CZ 3.86Å; E300-R303 VanDerWaalsContact OE2-CZ 3.26Å; E300-R303 IonicContact OE2-NE 2.75Å; E300-R303 PolarHBondContact OE2-NE 3.49Å; E300-R303 IonicContact OE2-NH2 3.93Å; E300-R303 PolarHBondContact OE2-NH2 3.41Å; E300-I304 HydrophobicContact CG-CD1 4.14Å; E300-I304 WeakPolarHBondContact O-CG1 3.37Å; E300-I304 PolarHBondContact O-N 3.11Å; E300-I304 WeakPolarHBondContact OE1-CD1 3.41Å; E300-I304 WeakPolarHBondContact OE1-CG1 2.83Å
301	D	93.7	Very high	93.3	Very high	85 Å²	85	81.9 Å²	81.9	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-42.9	175.9	-66.8	-25.6	0	0	0	111.3	K297 Q298 I304 Q305	K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 2.9Å; Q298-D301 PolarHBondContact O-N 2.88Å; D301-I304 PolarHBondContact O-N 3.33Å; D301-Q305 WeakPolarHBondContact O-CB 2.99Å; D301-Q305 PolarHBondContact O-N 3.46Å
302	I	89.5	Confident	93.2	Very high	28 Å²	28	85.8 Å²	85.8	14%	0.144	41%	0.411	C	S	.	.	H	α-helix	trans	-62	-44.5	175	-69.6	161.8	0	0	0	110.6	Q298 L299 E300 Q305 K306 I372 I392 T394	Q298-I302 WeakPolarHBondContact O-CD1 3.47Å; Q298-I302 VanDerWaalsContact O-CG1 3.24Å; Q298-I302 WeakPolarHBondContact O-CG1 3.46Å; Q298-I302 PolarHBondContact O-N 3.39Å; L299-I302 PolarHBondContact O-N 3.2Å; E300-I302 VanDerWaalsContact C-N 3.33Å; E300-I302 PolarHBondContact O-N 3.44Å; I302-Q305 PolarHBondContact O-N 2.99Å; I302-K306 HydrophobicContact CG2-CD 4.22Å; I302-K306 HydrophobicContact CG2-CG 4.28Å; I302-K306 WeakPolarHBondContact O-CB 3.44Å; I302-K306 VanDerWaalsContact O-CG 3.32Å; I302-K306 WeakPolarHBondContact O-CG 3.48Å; I302-K306 PolarHBondContact O-N 2.79Å; I302-I372 HydrophobicContact CG2-CD1 3.71Å; I302-I372 HydrophobicContact CG2-CG1 4.15Å; I302-I392 HydrophobicContact CD1-CG2 3.58Å; I302-T394 HydrophobicContact CD1-CG2 3.79Å; I302-T394 HydrophobicContact CG1-CG2 4.28Å; I302-T394 HydrophobicContact CG2-CG2 3.97Å
303	R	92.3	Very high	93	Very high	138 Å²	138	81.6 Å²	81.6	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-56.7	-53.9	177.5	-179.1	-176.3	78	141.6	0.8	110.6	L299 E300 Q305 K306 E307	L299-R303 PolarHBondContact O-N 3.01Å; E300-R303 VanDerWaalsContact CD-NE 3.32Å; E300-R303 VanDerWaalsContact CD-NH2 3.26Å; E300-R303 WeakPolarHBondContact O-CB 3.33Å; E300-R303 PolarHBondContact O-N 3.01Å; E300-R303 VanDerWaalsContact O-N 3.15Å; E300-R303 IonicContact OE1-CZ 2.85Å; E300-R303 IonicContact OE1-NE 3.9Å; E300-R303 PolarHBondContact OE1-NE 2.96Å; E300-R303 IonicContact OE1-NH2 3.55Å; E300-R303 PolarHBondContact OE1-NH2 2.93Å; E300-R303 IonicContact OE2-CZ 3.86Å; E300-R303 VanDerWaalsContact OE2-CZ 3.26Å; E300-R303 IonicContact OE2-NE 2.75Å; E300-R303 PolarHBondContact OE2-NE 3.49Å; E300-R303 IonicContact OE2-NH2 3.93Å; E300-R303 PolarHBondContact OE2-NH2 3.41Å; R303-Q305 VanDerWaalsContact C-N 3.32Å; R303-Q305 PolarHBondContact O-N 3.42Å; R303-K306 PolarHBondContact O-N 3.36Å; R303-E307 WeakPolarHBondContact O-CB 3.36Å; R303-E307 PolarHBondContact O-N 3.02Å
304	I	93.9	Very high	92.9	Very high	73 Å²	73	83.7 Å²	83.7	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-58.1	-45.9	-179.9	-67.2	167.5	0	0	0	110.4	E300 D301 K306 E307 N308	E300-I304 HydrophobicContact CG-CD1 4.14Å; E300-I304 WeakPolarHBondContact O-CG1 3.37Å; E300-I304 PolarHBondContact O-N 3.11Å; E300-I304 WeakPolarHBondContact OE1-CD1 3.41Å; E300-I304 WeakPolarHBondContact OE1-CG1 2.83Å; D301-I304 PolarHBondContact O-N 3.33Å; I304-K306 PolarHBondContact O-N 2.93Å; I304-E307 PolarHBondContact O-N 3.26Å; I304-N308 WeakPolarHBondContact CG2-ND2 3.45Å; I304-N308 WeakPolarHBondContact O-CB 3.38Å; I304-N308 PolarHBondContact O-N 3.4Å; I304-N308 PolarHBondContact O-ND2 3.17Å
305	Q	89.5	Confident	92.9	Very high	134 Å²	134	80.2 Å²	80.2	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-61.8	-45.4	179.9	-173.7	-177.4	-4	0	0	112.4	D301 I302 R303 S309	D301-Q305 WeakPolarHBondContact O-CB 2.99Å; D301-Q305 PolarHBondContact O-N 3.46Å; I302-Q305 PolarHBondContact O-N 2.99Å; R303-Q305 VanDerWaalsContact C-N 3.32Å; R303-Q305 PolarHBondContact O-N 3.42Å; Q305-S309 PolarHBondContact O-N 2.98Å; Q305-S309 PolarHBondContact O-OG 3.22Å
306	K	89	Confident	92.9	Very high	33 Å²	33	85.2 Å²	85.2	14%	0.143	42%	0.419	C	S	.	.	H	α-helix	trans	-67.2	-43.8	178.8	-69.1	-163.5	163.3	-166.4	0	111.4	I302 R303 I304 S309 L310 V368 N369 K371	I302-K306 HydrophobicContact CG2-CD 4.22Å; I302-K306 HydrophobicContact CG2-CG 4.28Å; I302-K306 WeakPolarHBondContact O-CB 3.44Å; I302-K306 VanDerWaalsContact O-CG 3.32Å; I302-K306 WeakPolarHBondContact O-CG 3.48Å; I302-K306 PolarHBondContact O-N 2.79Å; R303-K306 PolarHBondContact O-N 3.36Å; I304-K306 PolarHBondContact O-N 2.93Å; K306-S309 WeakPolarHBondContact O-CB 3.31Å; K306-S309 PolarHBondContact O-N 3.37Å; K306-L310 WeakPolarHBondContact O-CG 3.44Å; K306-L310 PolarHBondContact O-N 3.45Å; K306-V368 HydrophobicContact CB-CG1 4.07Å; K306-V368 HydrophobicContact CD-CG1 3.76Å; K306-V368 HydrophobicContact CG-CG1 3.65Å; K306-N369 WeakPolarHBondContact CD-O 3.36Å; K306-N369 PolarHBondContact NZ-O 3.03Å; K306-N369 PolarHBondContact NZ-OD1 2.9Å; K306-K371 PolarHBondContact NZ-O 2.95Å
307	E	93.2	Very high	92.8	Very high	90 Å²	90	83.1 Å²	83.1	42%	0.421	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-46.6	179.3	-174	169.7	-174.4	0	0	111.6	R303 I304 S309 L310 Q311	R303-E307 WeakPolarHBondContact O-CB 3.36Å; R303-E307 PolarHBondContact O-N 3.02Å; I304-E307 PolarHBondContact O-N 3.26Å; E307-S309 VanDerWaalsContact C-N 3.28Å; E307-S309 PolarHBondContact O-N 3.42Å; E307-L310 PolarHBondContact O-N 2.83Å; E307-L310 VanDerWaalsContact O-N 3.15Å; E307-Q311 HydrophobicContact CG-CG 4.27Å; E307-Q311 WeakPolarHBondContact O-CB 3.47Å; E307-Q311 WeakPolarHBondContact O-CG 3.36Å; E307-Q311 PolarHBondContact O-N 3.44Å; E307-Q311 PolarHBondContact OE1-NE2 2.92Å
308	N	91.7	Very high	92.9	Very high	87 Å²	87	81.4 Å²	81.4	47%	0.465	40%	0.403	S	S	.	.	H	α-helix	trans	-58.6	-40	176.2	-72.5	-18.6	0	0	0	112.2	I304 Q311 L312	I304-N308 WeakPolarHBondContact CG2-ND2 3.45Å; I304-N308 WeakPolarHBondContact O-CB 3.38Å; I304-N308 PolarHBondContact O-N 3.4Å; I304-N308 PolarHBondContact O-ND2 3.17Å; N308-Q311 PolarHBondContact O-N 3.36Å; N308-L312 WeakPolarHBondContact O-CB 3.45Å; N308-L312 PolarHBondContact O-N 2.85Å
309	S	90.4	Very high	93	Very high	50 Å²	50	83.2 Å²	83.2	35%	0.35	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-42.1	177.6	-57.7	0	0	0	0	111.8	Q305 K306 E307 Q313	Q305-S309 PolarHBondContact O-N 2.98Å; Q305-S309 PolarHBondContact O-OG 3.22Å; K306-S309 WeakPolarHBondContact O-CB 3.31Å; K306-S309 PolarHBondContact O-N 3.37Å; E307-S309 VanDerWaalsContact C-N 3.28Å; E307-S309 PolarHBondContact O-N 3.42Å; S309-Q313 PolarHBondContact O-N 3.39Å; S309-Q313 VanDerWaalsContact O-N 3.08Å
310	L	90.8	Very high	93.1	Very high	72 Å²	72	81.2 Å²	81.2	38%	0.377	40%	0.4	S	S	.	.	H	α-helix	trans	-69	-41.7	176.8	-68.8	173.8	0	0	0	112	K306 E307 L312 Q313 K314 P366 V368	K306-L310 WeakPolarHBondContact O-CG 3.44Å; K306-L310 PolarHBondContact O-N 3.45Å; E307-L310 PolarHBondContact O-N 2.83Å; E307-L310 VanDerWaalsContact O-N 3.15Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L310-Q313 PolarHBondContact O-N 3.31Å; L310-K314 VanDerWaalsContact O-CB 3.3Å; L310-K314 WeakPolarHBondContact O-CB 3.37Å; L310-K314 PolarHBondContact O-N 2.97Å; L310-P366 HydrophobicContact CD2-CB 3.83Å; L310-V368 HydrophobicContact CD2-CB 4.47Å
311	Q	94.3	Very high	93.1	Very high	104 Å²	104	81.9 Å²	81.9	49%	0.486	41%	0.406	S	S	.	.	H	α-helix	trans	-62.2	-42.6	176.7	-73.4	-178.3	3.9	0	0	111.3	E307 N308 K314 A315	E307-Q311 HydrophobicContact CG-CG 4.27Å; E307-Q311 WeakPolarHBondContact O-CB 3.47Å; E307-Q311 WeakPolarHBondContact O-CG 3.36Å; E307-Q311 PolarHBondContact O-N 3.44Å; E307-Q311 PolarHBondContact OE1-NE2 2.92Å; N308-Q311 PolarHBondContact O-N 3.36Å; Q311-K314 PolarHBondContact O-N 3.16Å; Q311-A315 PolarHBondContact O-N 2.93Å
312	L	93.1	Very high	93.3	Very high	106 Å²	106	79.9 Å²	79.9	56%	0.555	40%	0.401	S	S	*	.	H	α-helix	trans	-62.6	-48.1	175.5	179.8	62.5	0	0	0	111.8	N308 L310 K314 A315 Q316	N308-L312 WeakPolarHBondContact O-CB 3.45Å; N308-L312 PolarHBondContact O-N 2.85Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.85Å; L312-A315 PolarHBondContact O-N 3.49Å; L312-Q316 WeakPolarHBondContact O-CG 3.4Å; L312-Q316 PolarHBondContact O-N 3.48Å
313	Q	91.9	Very high	93.6	Very high	32 Å²	32	80.9 Å²	80.9	15%	0.15	41%	0.407	C	S	.	.	H	α-helix	trans	-61.2	-41.6	177.5	-175.7	-178.1	-3.6	0	0	111.5	S309 L310 Q316 L317 R365	S309-Q313 PolarHBondContact O-N 3.39Å; S309-Q313 VanDerWaalsContact O-N 3.08Å; L310-Q313 PolarHBondContact O-N 3.31Å; Q313-Q316 PolarHBondContact O-N 3.38Å; Q313-L317 HydrophobicContact CG-CD1 4.12Å; Q313-L317 WeakPolarHBondContact O-CG 3.4Å; Q313-L317 PolarHBondContact O-N 2.9Å; Q313-R365 PolarHBondContact NE2-O 3.38Å
314	K	93.6	Very high	93.8	Very high	125 Å²	125	76.7 Å²	76.7	54%	0.543	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-50.7	176.4	178.4	-177.4	169.8	-175.1	0	111.1	L310 Q311 L312 Q316 L317 E318	L310-K314 VanDerWaalsContact O-CB 3.3Å; L310-K314 WeakPolarHBondContact O-CB 3.37Å; L310-K314 PolarHBondContact O-N 2.97Å; Q311-K314 PolarHBondContact O-N 3.16Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.85Å; K314-Q316 VanDerWaalsContact C-N 3.29Å; K314-Q316 PolarHBondContact O-N 2.88Å; K314-L317 PolarHBondContact O-N 3.3Å; K314-L317 VanDerWaalsContact O-N 3.16Å; K314-E318 VanDerWaalsContact CE-CD 3.49Å; K314-E318 WeakPolarHBondContact CE-OE1 3.38Å; K314-E318 HydrophobicContact CG-CG 4.3Å; K314-E318 IonicContact NZ-OE1 3.96Å; K314-E318 WeakPolarHBondContact O-CB 3.45Å; K314-E318 WeakPolarHBondContact O-CG 3.49Å; K314-E318 PolarHBondContact O-N 2.93Å
315	A	95.8	Very high	93.9	Very high	52 Å²	52	80.1 Å²	80.1	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-59.5	-40.5	179.5	0	0	0	0	0	112.1	Q311 L312 E318 Q319	Q311-A315 PolarHBondContact O-N 2.93Å; L312-A315 PolarHBondContact O-N 3.49Å; A315-E318 PolarHBondContact O-N 2.98Å; A315-Q319 WeakPolarHBondContact O-CB 3.38Å; A315-Q319 PolarHBondContact O-N 2.71Å
316	Q	94.1	Very high	94.3	Very high	121 Å²	121	78.2 Å²	78.2	57%	0.565	40%	0.399	S	S	*	.	H	α-helix	trans	-63.3	-43.1	175.6	-71.6	174.3	-15.6	0	0	112.4	L312 Q313 K314 L320	L312-Q316 WeakPolarHBondContact O-CG 3.4Å; L312-Q316 PolarHBondContact O-N 3.48Å; Q313-Q316 PolarHBondContact O-N 3.38Å; K314-Q316 VanDerWaalsContact C-N 3.29Å; K314-Q316 PolarHBondContact O-N 2.88Å; Q316-L320 WeakPolarHBondContact O-CB 3.41Å; Q316-L320 PolarHBondContact O-N 2.99Å
317	L	95.1	Very high	94.6	Very high	59 Å²	59	77.1 Å²	77.1	31%	0.309	40%	0.397	S	S	.	.	H	α-helix	trans	-69.7	-39.7	178	-72.1	173.7	0	0	0	112.3	Q313 K314 L320 L321 Y362	Q313-L317 HydrophobicContact CG-CD1 4.12Å; Q313-L317 WeakPolarHBondContact O-CG 3.4Å; Q313-L317 PolarHBondContact O-N 2.9Å; K314-L317 PolarHBondContact O-N 3.3Å; K314-L317 VanDerWaalsContact O-N 3.16Å; L317-L320 PolarHBondContact O-N 3.21Å; L317-L321 VanDerWaalsContact O-CB 3.25Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 PolarHBondContact O-N 3.22Å; L317-Y362 HydrophobicContact CD2-CD2 4.21Å; L317-Y362 HydrophobicContact CD2-CG 4.48Å
318	E	96.5	Very high	94.8	Very high	106 Å²	106	76.1 Å²	76.1	50%	0.495	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-43.1	175.8	-75.8	177.3	158.4	0	0	111.3	K314 A315 L321 A322	K314-E318 VanDerWaalsContact CE-CD 3.49Å; K314-E318 WeakPolarHBondContact CE-OE1 3.38Å; K314-E318 HydrophobicContact CG-CG 4.3Å; K314-E318 IonicContact NZ-OE1 3.96Å; K314-E318 WeakPolarHBondContact O-CB 3.45Å; K314-E318 WeakPolarHBondContact O-CG 3.49Å; K314-E318 PolarHBondContact O-N 2.93Å; A315-E318 PolarHBondContact O-N 2.98Å; E318-L321 PolarHBondContact O-N 2.87Å; E318-A322 WeakPolarHBondContact O-CB 3.46Å; E318-A322 PolarHBondContact O-N 3.01Å
319	Q	95.9	Very high	95.1	Very high	116 Å²	116	77.6 Å²	77.6	54%	0.542	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-45.9	175.1	-174.2	62.4	43	0	0	111.8	A315 L321 A322 D323	A315-Q319 WeakPolarHBondContact O-CB 3.38Å; A315-Q319 PolarHBondContact O-N 2.71Å; Q319-L321 VanDerWaalsContact C-N 3.29Å; Q319-L321 PolarHBondContact O-N 3.34Å; Q319-A322 PolarHBondContact O-N 2.88Å; Q319-D323 PolarHBondContact NE2-OD1 2.99Å; Q319-D323 WeakPolarHBondContact O-CB 3.37Å; Q319-D323 PolarHBondContact O-N 3.33Å
320	L	95.4	Very high	95.4	Very high	27 Å²	27	80.4 Å²	80.4	14%	0.141	41%	0.408	C	S	.	.	H	α-helix	trans	-62	-40	177.8	-179.2	60.4	0	0	0	111.5	Q316 L317 D323 M324 L357 V360 Y362	Q316-L320 WeakPolarHBondContact O-CB 3.41Å; Q316-L320 PolarHBondContact O-N 2.99Å; L317-L320 PolarHBondContact O-N 3.21Å; L320-D323 PolarHBondContact O-N 3.1Å; L320-M324 HydrophobicContact CD1-CE 4.2Å; L320-M324 HydrophobicContact CD1-CG 4.37Å; L320-M324 HydrophobicContact CG-CE 4.39Å; L320-M324 HydrophobicContact CG-SD 4.35Å; L320-M324 WeakPolarHBondContact O-CB 3.35Å; L320-M324 VanDerWaalsContact O-CG 3.3Å; L320-M324 WeakPolarHBondContact O-CG 3.28Å; L320-M324 PolarHBondContact O-N 3.34Å; L320-L357 HydrophobicContact CD1-CD2 4.48Å; L320-V360 HydrophobicContact CD1-CB 4.23Å; L320-V360 HydrophobicContact CD1-CG1 3.89Å; L320-V360 HydrophobicContact CD1-CG2 4.3Å; L320-V360 HydrophobicContact CD2-CG1 3.8Å; L320-Y362 HydrophobicContact CD2-CD1 3.79Å; L320-Y362 HydrophobicContact CD2-CG 3.97Å
321	L	96.3	Very high	95.7	Very high	82 Å²	82	78 Å²	78	43%	0.429	40%	0.396	S	S	.	.	H	α-helix	trans	-64.5	-43.8	176.7	-179.6	63.2	0	0	0	111.5	L317 E318 Q319 M324 R325	L317-L321 VanDerWaalsContact O-CB 3.25Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 PolarHBondContact O-N 3.22Å; E318-L321 PolarHBondContact O-N 2.87Å; Q319-L321 VanDerWaalsContact C-N 3.29Å; Q319-L321 PolarHBondContact O-N 3.34Å; L321-M324 PolarHBondContact O-N 3.09Å; L321-R325 HydrophobicContact CD1-CG 4.33Å; L321-R325 WeakPolarHBondContact O-CB 3.47Å; L321-R325 WeakPolarHBondContact O-CG 3.3Å; L321-R325 PolarHBondContact O-N 3.11Å
322	A	97.3	Very high	95.8	Very high	43 Å²	43	78.6 Å²	78.6	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-60.5	-48.6	175.2	0	0	0	0	0	111	E318 Q319 M324 R325 T326	E318-A322 WeakPolarHBondContact O-CB 3.46Å; E318-A322 PolarHBondContact O-N 3.01Å; Q319-A322 PolarHBondContact O-N 2.88Å; A322-M324 VanDerWaalsContact C-N 3.3Å; A322-M324 PolarHBondContact O-N 3.02Å; A322-R325 PolarHBondContact O-N 2.9Å; A322-T326 PolarHBondContact O-N 3.35Å; A322-T326 PolarHBondContact O-OG1 3.37Å; A322-T326 VanDerWaalsContact O-OG1 3.13Å
323	D	95.6	Very high	96	Very high	49 Å²	49	79.6 Å²	79.6	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-57.3	-41.1	176.9	-86.7	28.5	0	0	0	112.8	Q319 L320 G327 R353 L357	Q319-D323 PolarHBondContact NE2-OD1 2.99Å; Q319-D323 WeakPolarHBondContact O-CB 3.37Å; Q319-D323 PolarHBondContact O-N 3.33Å; L320-D323 PolarHBondContact O-N 3.1Å; D323-G327 PolarHBondContact O-N 3.18Å; D323-R353 IonicContact OD1-NH2 2.7Å; D323-R353 IonicContact OD2-CZ 3.85Å; D323-R353 IonicContact OD2-NH1 3.56Å; D323-R353 IonicContact OD2-NH2 3.33Å; D323-R353 PolarHBondContact OD2-NH2 2.74Å; D323-L357 HydrophobicContact CB-CD2 4.11Å
324	M	95.6	Very high	96.2	Very high	50 Å²	50	79 Å²	79	25%	0.246	40%	0.398	C	S	.	.	H	α-helix	trans	-69.3	-46.8	176.2	-77.2	-174.9	163.4	0	0	111.9	L320 L321 A322 G327 V328 L357 Y362	L320-M324 HydrophobicContact CD1-CE 4.2Å; L320-M324 HydrophobicContact CD1-CG 4.37Å; L320-M324 HydrophobicContact CG-CE 4.39Å; L320-M324 HydrophobicContact CG-SD 4.35Å; L320-M324 WeakPolarHBondContact O-CB 3.35Å; L320-M324 VanDerWaalsContact O-CG 3.3Å; L320-M324 WeakPolarHBondContact O-CG 3.28Å; L320-M324 PolarHBondContact O-N 3.34Å; L321-M324 PolarHBondContact O-N 3.09Å; A322-M324 VanDerWaalsContact C-N 3.3Å; A322-M324 PolarHBondContact O-N 3.02Å; M324-G327 PolarHBondContact O-N 3.25Å; M324-V328 WeakPolarHBondContact O-CG2 3.4Å; M324-V328 PolarHBondContact O-N 3.05Å; M324-L357 WeakPolarHBondContact CE-O 3.08Å; M324-L357 HydrophobicContact CG-CD2 4.19Å; M324-Y362 HydrophobicContact CE-CE1 4.47Å
325	R	97.6	Very high	96.3	Very high	144 Å²	144	78.5 Å²	78.5	54%	0.543	40%	0.401	S	S	.	.	H	α-helix	trans	-59	-50.1	178.4	-78.4	179.2	177.8	176.7	-0.9	111.5	L321 A322 G327 V328 E329	L321-R325 HydrophobicContact CD1-CG 4.33Å; L321-R325 WeakPolarHBondContact O-CB 3.47Å; L321-R325 WeakPolarHBondContact O-CG 3.3Å; L321-R325 PolarHBondContact O-N 3.11Å; A322-R325 PolarHBondContact O-N 2.9Å; R325-G327 VanDerWaalsContact C-N 3.27Å; R325-G327 PolarHBondContact O-N 3.49Å; R325-V328 PolarHBondContact O-N 3.42Å; R325-V328 VanDerWaalsContact O-N 3.16Å; R325-E329 WeakPolarHBondContact O-CB 3.42Å; R325-E329 VanDerWaalsContact O-CG 3.3Å; R325-E329 WeakPolarHBondContact O-CG 3.34Å; R325-E329 PolarHBondContact O-N 2.91Å
326	T	97	Very high	96.4	Very high	94 Å²	94	81.6 Å²	81.6	58%	0.577	42%	0.415	S	S	*	.	H	α-helix	trans	-59	-40.3	176.9	-56.3	0	0	0	0	111.7	A322 F330	A322-T326 PolarHBondContact O-N 3.35Å; A322-T326 PolarHBondContact O-OG1 3.37Å; A322-T326 VanDerWaalsContact O-OG1 3.13Å; T326-F330 VanDerWaalsContact O-CB 3.28Å; T326-F330 WeakPolarHBondContact O-CB 3.37Å; T326-F330 PolarHBondContact O-N 2.94Å; T326-F330 VanDerWaalsContact O-N 3.12Å
327	G	95.8	Very high	96.4	Very high	10 Å²	10	79.9 Å²	79.9	10%	0.103	42%	0.416	C	S	.	.	H	α-helix	trans	-63.4	-43.2	176.4	0	0	0	0	0	113.2	D323 M324 R325 T331	D323-G327 PolarHBondContact O-N 3.18Å; M324-G327 PolarHBondContact O-N 3.25Å; R325-G327 VanDerWaalsContact C-N 3.27Å; R325-G327 PolarHBondContact O-N 3.49Å; G327-T331 WeakPolarHBondContact O-CB 3.42Å; G327-T331 PolarHBondContact O-N 3.38Å; G327-T331 PolarHBondContact O-OG1 2.96Å
328	V	97.1	Very high	96.4	Very high	69 Å²	69	78.1 Å²	78.1	42%	0.418	41%	0.412	S	S	.	.	H	α-helix	trans	-69.8	-53.8	178.6	172.4	0	0	0	0	110.8	M324 R325 F330 T331 E332	M324-V328 WeakPolarHBondContact O-CG2 3.4Å; M324-V328 PolarHBondContact O-N 3.05Å; R325-V328 PolarHBondContact O-N 3.42Å; R325-V328 VanDerWaalsContact O-N 3.16Å; V328-F330 PolarHBondContact O-N 3.44Å; V328-T331 PolarHBondContact O-N 3.09Å; V328-T331 VanDerWaalsContact O-N 3.07Å; V328-E332 HydrophobicContact CG1-CG 4.14Å; V328-E332 WeakPolarHBondContact O-CG 3.48Å; V328-E332 PolarHBondContact O-N 3.09Å
329	E	97.3	Very high	96.4	Very high	119 Å²	119	75.8 Å²	75.8	56%	0.556	41%	0.407	S	S	*	.	H	α-helix	trans	-57.3	-45.5	-177.2	-72.7	168.9	-168.4	0	0	112.1	R325 T331 H333	R325-E329 WeakPolarHBondContact O-CB 3.42Å; R325-E329 VanDerWaalsContact O-CG 3.3Å; R325-E329 WeakPolarHBondContact O-CG 3.34Å; R325-E329 PolarHBondContact O-N 2.91Å; E329-T331 PolarHBondContact O-N 3.13Å; E329-H333 WeakPolarHBondContact O-CB 3.38Å; E329-H333 PolarHBondContact O-N 3.43Å
330	F	97.1	Very high	96.4	Very high	108 Å²	108	76.9 Å²	76.9	47%	0.474	42%	0.417	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.3	178.5	-92.8	0	0	0	111.8	T326 V328 H333 L334 V350	T326-F330 VanDerWaalsContact O-CB 3.28Å; T326-F330 WeakPolarHBondContact O-CB 3.37Å; T326-F330 PolarHBondContact O-N 2.94Å; T326-F330 VanDerWaalsContact O-N 3.12Å; V328-F330 PolarHBondContact O-N 3.44Å; F330-H333 PolarHBondContact O-N 3.17Å; F330-L334 HydrophobicContact CE1-CD2 4.19Å; F330-L334 VanDerWaalsContact O-CB 3.26Å; F330-L334 WeakPolarHBondContact O-CB 3.35Å; F330-L334 PolarHBondContact O-N 3.38Å; F330-V350 HydrophobicContact CD1-CG2 4.01Å; F330-V350 HydrophobicContact CE1-CG2 3.63Å
331	T	96.6	Very high	96.4	Very high	21 Å²	21	81.1 Å²	81.1	13%	0.129	44%	0.439	C	S	.	.	H	α-helix	trans	-67.7	-42.1	-178.5	-55	0	0	0	0	111.3	G327 V328 E329 L334 L335 V350 L354	G327-T331 WeakPolarHBondContact O-CB 3.42Å; G327-T331 PolarHBondContact O-N 3.38Å; G327-T331 PolarHBondContact O-OG1 2.96Å; V328-T331 PolarHBondContact O-N 3.09Å; V328-T331 VanDerWaalsContact O-N 3.07Å; E329-T331 PolarHBondContact O-N 3.13Å; T331-L334 PolarHBondContact O-N 2.91Å; T331-L335 HydrophobicContact CG2-CD1 3.96Å; T331-L335 HydrophobicContact CG2-CG 4.41Å; T331-L335 WeakPolarHBondContact O-CB 3.33Å; T331-L335 VanDerWaalsContact O-CG 3.26Å; T331-L335 WeakPolarHBondContact O-CG 3.39Å; T331-L335 PolarHBondContact O-N 3.41Å; T331-V350 HydrophobicContact CG2-CG1 3.82Å; T331-V350 VanDerWaalsContact OG1-CG1 3.27Å; T331-V350 WeakPolarHBondContact OG1-CG1 3.39Å; T331-L354 HydrophobicContact CG2-CD1 4.06Å
332	E	96.9	Very high	96.3	Very high	118 Å²	118	82.2 Å²	82.2	55%	0.551	44%	0.442	S	S	*	.	H	α-helix	trans	-63.1	-44.8	176.2	-74.1	-177.4	164.3	0	0	111.4	V328 L335 T336	V328-E332 HydrophobicContact CG1-CG 4.14Å; V328-E332 WeakPolarHBondContact O-CG 3.48Å; V328-E332 PolarHBondContact O-N 3.09Å; E332-L335 PolarHBondContact O-N 2.79Å; E332-T336 VanDerWaalsContact O-CB 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 PolarHBondContact O-N 3.2Å; E332-T336 PolarHBondContact O-OG1 3.15Å
333	H	97.1	Very high	96.3	Very high	127 Å²	127	82.1 Å²	82.1	59%	0.588	44%	0.435	S	S	*	.	H	α-helix	trans	-63.4	-44.6	177.3	-173.4	56.9	0	0	0	112	E329 F330 L335 T336 S337	E329-H333 WeakPolarHBondContact O-CB 3.38Å; E329-H333 PolarHBondContact O-N 3.43Å; F330-H333 PolarHBondContact O-N 3.17Å; H333-L335 VanDerWaalsContact C-N 3.33Å; H333-L335 PolarHBondContact O-N 2.82Å; H333-T336 PolarHBondContact O-N 3.36Å; H333-S337 PolarHBondContact O-N 2.89Å
334	L	96.8	Very high	96.3	Very high	19 Å²	19	85.4 Å²	85.4	10%	0.099	45%	0.452	C	S	.	.	H	α-helix	trans	-58.5	-43	175.8	176.4	67.9	0	0	0	112	F330 T331 G338 I343 T346 V350	F330-L334 HydrophobicContact CE1-CD2 4.19Å; F330-L334 VanDerWaalsContact O-CB 3.26Å; F330-L334 WeakPolarHBondContact O-CB 3.35Å; F330-L334 PolarHBondContact O-N 3.38Å; T331-L334 PolarHBondContact O-N 2.91Å; L334-G338 VanDerWaalsContact O-CA 3.26Å; L334-G338 WeakPolarHBondContact O-CA 3.42Å; L334-G338 PolarHBondContact O-N 3.41Å; L334-I343 HydrophobicContact CD1-CG1 4.07Å; L334-I343 HydrophobicContact CG-CG1 4.06Å; L334-T346 WeakPolarHBondContact CD2-OG1 3.45Å; L334-V350 HydrophobicContact CD2-CG2 4.09Å
335	L	96.1	Very high	96.3	Very high	115 Å²	115	89 Å²	89	60%	0.602	47%	0.471	S	S	*	.	H	α-helix	trans	-76.3	-26.5	-179.8	-68.8	174.7	0	0	0	113.6	T331 E332 H333 I343	T331-L335 HydrophobicContact CG2-CD1 3.96Å; T331-L335 HydrophobicContact CG2-CG 4.41Å; T331-L335 WeakPolarHBondContact O-CB 3.33Å; T331-L335 VanDerWaalsContact O-CG 3.26Å; T331-L335 WeakPolarHBondContact O-CG 3.39Å; T331-L335 PolarHBondContact O-N 3.41Å; E332-L335 PolarHBondContact O-N 2.79Å; H333-L335 VanDerWaalsContact C-N 3.33Å; H333-L335 PolarHBondContact O-N 2.82Å; L335-I343 HydrophobicContact CD2-CG2 4.46Å
336	T	96.9	Very high	96.3	Very high	117 Å²	117	84 Å²	84	72%	0.718	46%	0.457	S	S	*	.	H	α-helix	trans	-87.7	-37.1	-178.1	-54.2	0	0	0	0	112.3	E332 H333	E332-T336 VanDerWaalsContact O-CB 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 PolarHBondContact O-N 3.2Å; E332-T336 PolarHBondContact O-OG1 3.15Å; H333-T336 PolarHBondContact O-N 3.36Å
337	S	95.4	Very high	96.2	Very high	84 Å²	84	85.6 Å²	85.6	59%	0.587	46%	0.455	S	S	*	.	H	α-helix	trans	-124.1	-12.2	-168.8	-56.6	0	0	0	0	114.3	H333	H333-S337 PolarHBondContact O-N 2.89Å
338	G	94.4	Very high	96.2	Very high	22 Å²	22	87.6 Å²	87.6	23%	0.227	48%	0.476	C	S	.	.			trans	-79.2	151.2	179.8	0	0	0	0	0	113.2	L334	L334-G338 VanDerWaalsContact O-CA 3.26Å; L334-G338 WeakPolarHBondContact O-CA 3.42Å; L334-G338 PolarHBondContact O-N 3.41Å
339	S	96.5	Very high	96.1	Very high	58 Å²	58	89.7 Å²	89.7	41%	0.406	49%	0.489	S	S	.	.			trans	-74.1	157.5	171.1	64.2	0	0	0	0	112.1	L341 E342 I343	S339-L341 PolarHBondContact O-N 3.41Å; S339-L341 VanDerWaalsContact O-N 3.1Å; S339-E342 PolarHBondContact N-OE2 3.24Å; S339-E342 PolarHBondContact O-N 3.4Å; S339-E342 VanDerWaalsContact O-N 3.1Å; S339-E342 VanDerWaalsContact OG-CD 3.29Å; S339-E342 VanDerWaalsContact OG-CG 3.31Å; S339-E342 WeakPolarHBondContact OG-CG 3.26Å; S339-E342 PolarHBondContact OG-N 2.9Å; S339-E342 PolarHBondContact OG-OE2 2.89Å; S339-I343 WeakPolarHBondContact O-CG1 3.36Å; S339-I343 PolarHBondContact O-N 3.42Å
340	D	95.2	Very high	96.1	Very high	138 Å²	138	85 Å²	85	74%	0.738	47%	0.468	S	S	*	.	H	α-helix	trans	-52	-37.1	177.5	-67.1	-18.8	0	0	0	112.7	L344	D340-L344 VanDerWaalsContact O-CG 3.27Å; D340-L344 WeakPolarHBondContact O-CG 3.43Å; D340-L344 PolarHBondContact O-N 3.05Å; D340-L344 VanDerWaalsContact O-N 3.1Å
341	L	95.4	Very high	96.1	Very high	117 Å²	117	82.1 Å²	82.1	61%	0.613	46%	0.46	S	S	*	.	H	α-helix	trans	-72.4	-42.9	179.7	-173.4	62	0	0	0	112.5	S339 I343 L344 I345	S339-L341 PolarHBondContact O-N 3.41Å; S339-L341 VanDerWaalsContact O-N 3.1Å; L341-I343 VanDerWaalsContact C-N 3.31Å; L341-I343 PolarHBondContact O-N 3.34Å; L341-L344 PolarHBondContact O-N 3.23Å; L341-I345 HydrophobicContact CD1-CD1 4.32Å; L341-I345 HydrophobicContact CG-CD1 3.98Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.45Å; L341-I345 PolarHBondContact O-N 2.96Å
342	E	95.4	Very high	96.1	Very high	105 Å²	105	85 Å²	85	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-62.8	-39.4	176	-72.3	164.9	145.3	0	0	111.5	S339 I345 T346	S339-E342 PolarHBondContact N-OE2 3.24Å; S339-E342 PolarHBondContact O-N 3.4Å; S339-E342 VanDerWaalsContact O-N 3.1Å; S339-E342 VanDerWaalsContact OG-CD 3.29Å; S339-E342 VanDerWaalsContact OG-CG 3.31Å; S339-E342 WeakPolarHBondContact OG-CG 3.26Å; S339-E342 PolarHBondContact OG-N 2.9Å; S339-E342 PolarHBondContact OG-OE2 2.89Å; E342-I345 PolarHBondContact O-N 2.71Å; E342-T346 WeakPolarHBondContact O-CB 3.28Å; E342-T346 WeakPolarHBondContact O-CG2 3.26Å; E342-T346 PolarHBondContact O-N 3.36Å; E342-T346 PolarHBondContact O-OG1 3.45Å
343	I	96.7	Very high	96	Very high	41 Å²	41	84.4 Å²	84.4	21%	0.21	46%	0.464	C	S	.	.	H	α-helix	trans	-61	-47.7	174.3	-65.4	166.8	0	0	0	110.1	L334 L335 S339 L341 I345 T346 K347	L334-I343 HydrophobicContact CD1-CG1 4.07Å; L334-I343 HydrophobicContact CG-CG1 4.06Å; L335-I343 HydrophobicContact CD2-CG2 4.46Å; S339-I343 WeakPolarHBondContact O-CG1 3.36Å; S339-I343 PolarHBondContact O-N 3.42Å; L341-I343 VanDerWaalsContact C-N 3.31Å; L341-I343 PolarHBondContact O-N 3.34Å; I343-I345 PolarHBondContact O-N 3.41Å; I343-T346 PolarHBondContact O-N 3.16Å; I343-T346 PolarHBondContact O-OG1 3.34Å; I343-K347 VanDerWaalsContact O-CB 3.3Å; I343-K347 WeakPolarHBondContact O-CB 3.33Å; I343-K347 PolarHBondContact O-N 2.97Å
344	L	95.3	Very high	96	Very high	118 Å²	118	80.5 Å²	80.5	62%	0.618	45%	0.447	S	S	*	.	H	α-helix	trans	-65.3	-39.2	-179.5	-72.6	173.2	0	0	0	112.9	D340 L341	D340-L344 VanDerWaalsContact O-CG 3.27Å; D340-L344 WeakPolarHBondContact O-CG 3.43Å; D340-L344 PolarHBondContact O-N 3.05Å; D340-L344 VanDerWaalsContact O-N 3.1Å; L341-L344 PolarHBondContact O-N 3.23Å
345	I	96.6	Very high	96	Very high	125 Å²	125	86.3 Å²	86.3	64%	0.641	47%	0.468	S	S	*	.	H	α-helix	trans	-65.4	-42.8	177.7	-69.2	167.3	0	0	0	111	L341 E342 I343	L341-I345 HydrophobicContact CD1-CD1 4.32Å; L341-I345 HydrophobicContact CG-CD1 3.98Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.45Å; L341-I345 PolarHBondContact O-N 2.96Å; E342-I345 PolarHBondContact O-N 2.71Å; I343-I345 PolarHBondContact O-N 3.41Å
346	T	95.9	Very high	95.9	Very high	40 Å²	40	86.7 Å²	86.7	25%	0.245	47%	0.465	C	S	.	.	H	α-helix	trans	-87.8	-17.2	-174.4	56.3	0	0	0	0	114.1	L334 E342 I343 G348 V349 V350	L334-T346 WeakPolarHBondContact CD2-OG1 3.45Å; E342-T346 WeakPolarHBondContact O-CB 3.28Å; E342-T346 WeakPolarHBondContact O-CG2 3.26Å; E342-T346 PolarHBondContact O-N 3.36Å; E342-T346 PolarHBondContact O-OG1 3.45Å; I343-T346 PolarHBondContact O-N 3.16Å; I343-T346 PolarHBondContact O-OG1 3.34Å; T346-G348 VanDerWaalsContact C-N 3.28Å; T346-G348 PolarHBondContact O-N 3.42Å; T346-G348 VanDerWaalsContact O-N 3.12Å; T346-V349 PolarHBondContact O-N 3.15Å; T346-V349 VanDerWaalsContact O-N 3.1Å; T346-V350 PolarHBondContact O-N 3.37Å; T346-V350 VanDerWaalsContact O-N 3.16Å
347	K	95	Very high	95.8	Very high	126 Å²	126	81.6 Å²	81.6	55%	0.548	43%	0.433	S	S	.	.	H	α-helix	trans	-44.8	-47.3	-178	175.2	-177.5	174.3	-179.9	0	113.8	I343 V349 V350 V351	I343-K347 VanDerWaalsContact O-CB 3.3Å; I343-K347 WeakPolarHBondContact O-CB 3.33Å; I343-K347 PolarHBondContact O-N 2.97Å; K347-V349 VanDerWaalsContact C-N 3.34Å; K347-V349 PolarHBondContact O-N 3.35Å; K347-V350 PolarHBondContact O-N 3.17Å; K347-V351 HydrophobicContact CG-CG2 3.99Å; K347-V351 VanDerWaalsContact O-CB 3.28Å; K347-V351 WeakPolarHBondContact O-CB 3.48Å; K347-V351 WeakPolarHBondContact O-CG2 3.42Å; K347-V351 PolarHBondContact O-N 3.45Å
348	G	95.7	Very high	95.8	Very high	53 Å²	53	84 Å²	84	55%	0.546	44%	0.44	S	S	.	.	H	α-helix	trans	-59.6	-44.8	-175.6	0	0	0	0	0	112.6	T346 E352	T346-G348 VanDerWaalsContact C-N 3.28Å; T346-G348 PolarHBondContact O-N 3.42Å; T346-G348 VanDerWaalsContact O-N 3.12Å; G348-E352 WeakPolarHBondContact O-CB 3.34Å; G348-E352 PolarHBondContact O-N 3.18Å
349	V	96.4	Very high	95.8	Very high	113 Å²	113	91.1 Å²	91.1	69%	0.685	46%	0.464	S	S	*	.	H	α-helix	trans	-71.4	-44.7	-178.5	-176.1	0	0	0	0	110.8	T346 K347 E352 R353	T346-V349 PolarHBondContact O-N 3.15Å; T346-V349 VanDerWaalsContact O-N 3.1Å; K347-V349 VanDerWaalsContact C-N 3.34Å; K347-V349 PolarHBondContact O-N 3.35Å; V349-E352 PolarHBondContact O-N 3.39Å; V349-R353 WeakPolarHBondContact O-CB 3.44Å; V349-R353 PolarHBondContact O-N 2.98Å
350	V	96.5	Very high	95.6	Very high	19 Å²	19	91.4 Å²	91.4	12%	0.115	46%	0.463	C	S	.	.	H	α-helix	trans	-62.9	-51.2	179.9	173.2	0	0	0	0	111.3	F330 T331 L334 T346 K347 E352 R353 L354	F330-V350 HydrophobicContact CD1-CG2 4.01Å; F330-V350 HydrophobicContact CE1-CG2 3.63Å; T331-V350 HydrophobicContact CG2-CG1 3.82Å; T331-V350 VanDerWaalsContact OG1-CG1 3.27Å; T331-V350 WeakPolarHBondContact OG1-CG1 3.39Å; L334-V350 HydrophobicContact CD2-CG2 4.09Å; T346-V350 PolarHBondContact O-N 3.37Å; T346-V350 VanDerWaalsContact O-N 3.16Å; K347-V350 PolarHBondContact O-N 3.17Å; V350-E352 VanDerWaalsContact C-N 3.29Å; V350-E352 PolarHBondContact O-N 3.36Å; V350-R353 PolarHBondContact O-N 2.81Å; V350-L354 HydrophobicContact CG1-CD1 3.85Å; V350-L354 HydrophobicContact CG1-CG 4.31Å; V350-L354 WeakPolarHBondContact O-CG 3.43Å; V350-L354 PolarHBondContact O-N 3.29Å
351	V	96.7	Very high	95.2	Very high	49 Å²	49	93.9 Å²	93.9	30%	0.297	47%	0.471	S	S	.	.	H	α-helix	trans	-60.3	-41.8	-178.9	170.3	0	0	0	0	110.8	K347 R355	K347-V351 HydrophobicContact CG-CG2 3.99Å; K347-V351 VanDerWaalsContact O-CB 3.28Å; K347-V351 WeakPolarHBondContact O-CB 3.48Å; K347-V351 WeakPolarHBondContact O-CG2 3.42Å; K347-V351 PolarHBondContact O-N 3.45Å; V351-R355 WeakPolarHBondContact O-CB 3.42Å; V351-R355 WeakPolarHBondContact O-CG 3.3Å; V351-R355 PolarHBondContact O-N 2.64Å
352	E	96.7	Very high	94.9	Very high	81 Å²	81	95.2 Å²	95.2	38%	0.379	47%	0.469	S	S	.	.	H	α-helix	trans	-67.4	-41.1	178.8	-174	57.4	-160.9	0	0	112.3	G348 V349 V350 R355 K356	G348-E352 WeakPolarHBondContact O-CB 3.34Å; G348-E352 PolarHBondContact O-N 3.18Å; V349-E352 PolarHBondContact O-N 3.39Å; V350-E352 VanDerWaalsContact C-N 3.29Å; V350-E352 PolarHBondContact O-N 3.36Å; E352-R355 IonicContact OE2-NH1 3.3Å; E352-K356 WeakPolarHBondContact O-CG 3.46Å; E352-K356 PolarHBondContact O-N 3Å; E352-K356 VanDerWaalsContact O-N 3.15Å; E352-K356 WeakPolarHBondContact OE1-CE 3.39Å; E352-K356 IonicContact OE1-NZ 3.83Å
353	R	96.1	Very high	94.1	Very high	105 Å²	105	93.3 Å²	93.3	40%	0.396	47%	0.467	S	S	.	.	H	α-helix	trans	-63	-48.2	175.6	-179.8	61.4	176.5	177.9	3.2	111.7	D323 V349 V350 R355 K356 L357	D323-R353 IonicContact OD1-NH2 2.7Å; D323-R353 IonicContact OD2-CZ 3.85Å; D323-R353 IonicContact OD2-NH1 3.56Å; D323-R353 IonicContact OD2-NH2 3.33Å; D323-R353 PolarHBondContact OD2-NH2 2.74Å; V349-R353 WeakPolarHBondContact O-CB 3.44Å; V349-R353 PolarHBondContact O-N 2.98Å; V350-R353 PolarHBondContact O-N 2.81Å; R353-R355 PolarHBondContact O-N 3.11Å; R353-K356 WeakPolarHBondContact O-CB 3.25Å; R353-K356 PolarHBondContact O-N 3Å; R353-L357 HydrophobicContact CG-CD1 4.16Å; R353-L357 WeakPolarHBondContact O-CG 3.33Å; R353-L357 PolarHBondContact O-N 2.83Å
354	L	96.1	Very high	93.1	Very high	45 Å²	45	95.8 Å²	95.8	24%	0.236	49%	0.493	C	S	.	.	H	α-helix	trans	-65	-38.9	179.9	-67.6	178.7	0	0	0	112.3	T331 V350 K356 L357 N358	T331-L354 HydrophobicContact CG2-CD1 4.06Å; V350-L354 HydrophobicContact CG1-CD1 3.85Å; V350-L354 HydrophobicContact CG1-CG 4.31Å; V350-L354 WeakPolarHBondContact O-CG 3.43Å; V350-L354 PolarHBondContact O-N 3.29Å; L354-K356 VanDerWaalsContact C-N 3.29Å; L354-K356 PolarHBondContact O-N 2.85Å; L354-L357 HydrophobicContact CD2-CD1 4.49Å; L354-L357 PolarHBondContact O-N 2.87Å; L354-N358 WeakPolarHBondContact O-CB 3.45Å; L354-N358 VanDerWaalsContact O-CG 3.3Å; L354-N358 PolarHBondContact O-N 3.33Å
355	R	96.6	Very high	92.2	Very high	142 Å²	142	99.8 Å²	99.8	54%	0.536	50%	0.5	S	S	.	.	H	α-helix	trans	-59.4	-39.5	172.9	-80.7	-175.4	-163	138	-1.5	112.4	V351 E352 R353 K359	V351-R355 WeakPolarHBondContact O-CB 3.42Å; V351-R355 WeakPolarHBondContact O-CG 3.3Å; V351-R355 PolarHBondContact O-N 2.64Å; E352-R355 IonicContact OE2-NH1 3.3Å; R353-R355 PolarHBondContact O-N 3.11Å; R355-K359 WeakPolarHBondContact O-CG 3.48Å; R355-K359 PolarHBondContact O-N 2.93Å
356	K	95.2	Very high	91.3	Very high	123 Å²	123	98.3 Å²	98.3	54%	0.535	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-47.8	176.6	-73.7	175.8	-178.5	174.7	0	110.9	E352 R353 L354 N358 K359 V360	E352-K356 WeakPolarHBondContact O-CG 3.46Å; E352-K356 PolarHBondContact O-N 3Å; E352-K356 VanDerWaalsContact O-N 3.15Å; E352-K356 WeakPolarHBondContact OE1-CE 3.39Å; E352-K356 IonicContact OE1-NZ 3.83Å; R353-K356 WeakPolarHBondContact O-CB 3.25Å; R353-K356 PolarHBondContact O-N 3Å; L354-K356 VanDerWaalsContact C-N 3.29Å; L354-K356 PolarHBondContact O-N 2.85Å; K356-N358 PolarHBondContact O-N 3.45Å; K356-K359 PolarHBondContact O-N 3.45Å; K356-K359 VanDerWaalsContact O-N 3.16Å; K356-V360 WeakPolarHBondContact O-CG2 3.46Å
357	L	94.9	Very high	90.2	Very high	10 Å²	10	99.5 Å²	99.5	5%	0.052	52%	0.519	C	S	.	.	H	α-helix	trans	-61.4	-41.1	179.4	-68.1	170.5	0	0	0	112.5	L320 D323 M324 R353 L354 K359 V360	L320-L357 HydrophobicContact CD1-CD2 4.48Å; D323-L357 HydrophobicContact CB-CD2 4.11Å; M324-L357 WeakPolarHBondContact CE-O 3.08Å; M324-L357 HydrophobicContact CG-CD2 4.19Å; R353-L357 HydrophobicContact CG-CD1 4.16Å; R353-L357 WeakPolarHBondContact O-CG 3.33Å; R353-L357 PolarHBondContact O-N 2.83Å; L354-L357 HydrophobicContact CD2-CD1 4.49Å; L354-L357 PolarHBondContact O-N 2.87Å; L357-K359 PolarHBondContact O-N 3.04Å; L357-V360 PolarHBondContact O-N 3.37Å
358	N	94	Very high	89.4	Confident	135 Å²	135	95.7 Å²	95.7	72%	0.722	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.4	178.3	-73.6	-13.7	0	0	0	114.3	L354 K356	L354-N358 WeakPolarHBondContact O-CB 3.45Å; L354-N358 VanDerWaalsContact O-CG 3.3Å; L354-N358 PolarHBondContact O-N 3.33Å; K356-N358 PolarHBondContact O-N 3.45Å
359	K	94.5	Very high	88.4	Confident	170 Å²	170	95.6 Å²	95.6	74%	0.739	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-11.1	177.5	-73.3	178.3	179.5	-177.3	0	113.4	R355 K356 L357 Q361	R355-K359 WeakPolarHBondContact O-CG 3.48Å; R355-K359 PolarHBondContact O-N 2.93Å; K356-K359 PolarHBondContact O-N 3.45Å; K356-K359 VanDerWaalsContact O-N 3.16Å; L357-K359 PolarHBondContact O-N 3.04Å; K359-Q361 PolarHBondContact O-N 3Å
360	V	93	Very high	87.5	Confident	64 Å²	64	96 Å²	96	39%	0.388	49%	0.492	S	S	.	.			trans	-69	126	-178.4	-179.1	0	0	0	0	109.7	L320 K356 L357	L320-V360 HydrophobicContact CD1-CB 4.23Å; L320-V360 HydrophobicContact CD1-CG1 3.89Å; L320-V360 HydrophobicContact CD1-CG2 4.3Å; L320-V360 HydrophobicContact CD2-CG1 3.8Å; K356-V360 WeakPolarHBondContact O-CG2 3.46Å; L357-V360 PolarHBondContact O-N 3.37Å
361	Q	87.6	Confident	86.4	Confident	191 Å²	191	99.9 Å²	99.9	89%	0.893	51%	0.507	S	S	*	.			trans	-89.2	134.1	171.1	-66.4	-178	1.8	0	0	109.7	K359	K359-Q361 PolarHBondContact O-N 3Å
362	Y	87.3	Confident	85.8	Confident	145 Å²	145	100.8 Å²	100.8	57%	0.569	51%	0.509	S	S	*	.			trans	-142	153.3	175.5	63.1	-88.3	0	0	0	110.4	L317 L320 M324	L317-Y362 HydrophobicContact CD2-CD2 4.21Å; L317-Y362 HydrophobicContact CD2-CG 4.48Å; L320-Y362 HydrophobicContact CD2-CD1 3.79Å; L320-Y362 HydrophobicContact CD2-CG 3.97Å; M324-Y362 HydrophobicContact CE-CE1 4.47Å
363	S	78.4	Confident	85.1	Confident	65 Å²	65	99 Å²	99	46%	0.455	51%	0.505	S	S	.	.			trans	-97	125.5	171.3	177.7	0	0	0	0	109.8	R365	S363-R365 PolarHBondContact O-N 3.16Å; S363-R365 PolarHBondContact OG-N 3.48Å; S363-R365 VanDerWaalsContact OG-N 3.13Å; S363-R365 PolarHBondContact OG-O 3.15Å
364	A	77.6	Confident	84.7	Confident	93 Å²	93	99.5 Å²	99.5	77%	0.769	51%	0.51	S	S	*	.	S	Bend	trans	-78.1	-6.3	170.7	0	0	0	0	0	113.1
365	R	74.6	Confident	83.9	Confident	201 Å²	201	98 Å²	98	76%	0.758	50%	0.504	S	S	*	.	S	Bend	trans	-106.3	145.2	179.8	-64.9	-176.1	179.9	-176	-0.5	111.1	Q313 S363 G367	Q313-R365 PolarHBondContact NE2-O 3.38Å; S363-R365 PolarHBondContact O-N 3.16Å; S363-R365 PolarHBondContact OG-N 3.48Å; S363-R365 VanDerWaalsContact OG-N 3.13Å; S363-R365 PolarHBondContact OG-O 3.15Å; R365-G367 PolarHBondContact O-N 3.36Å
366	P	79.2	Confident	83.4	Confident	95 Å²	95	94.2 Å²	94.2	62%	0.617	50%	0.497	S	S	*	.			trans	-55	135.3	171.6	-23.4	33.6	0	0	0	111.4	L310 V368	L310-P366 HydrophobicContact CD2-CB 3.83Å; P366-V368 PolarHBondContact O-N 2.87Å
367	G	72.3	Confident	82.7	Confident	64 Å²	64	95.5 Å²	95.5	66%	0.66	51%	0.505	S	S	*	.	S	Bend	trans	-76.4	-6.5	179.4	0	0	0	0	0	114.1	R365	R365-G367 PolarHBondContact O-N 3.36Å
368	V	78.3	Confident	82	Confident	46 Å²	46	99 Å²	99	28%	0.279	52%	0.521	S	S	.	.	S	Bend	trans	-137.5	142.6	-177.4	-167.9	0	0	0	0	109.7	K306 L310 P366	K306-V368 HydrophobicContact CB-CG1 4.07Å; K306-V368 HydrophobicContact CD-CG1 3.76Å; K306-V368 HydrophobicContact CG-CG1 3.65Å; L310-V368 HydrophobicContact CD2-CB 4.47Å; P366-V368 PolarHBondContact O-N 2.87Å
369	N	75.3	Confident	81.7	Confident	52 Å²	52	98.7 Å²	98.7	28%	0.278	51%	0.514	S	S	.	.			trans	-89.3	168.1	179.1	61.7	48.9	0	0	0	113.2	K306 K371 E396	K306-N369 WeakPolarHBondContact CD-O 3.36Å; K306-N369 PolarHBondContact NZ-O 3.03Å; K306-N369 PolarHBondContact NZ-OD1 2.9Å; N369-K371 PolarHBondContact OD1-N 3.22Å; N369-E396 VanDerWaalsContact CG-CD 3.47Å; N369-E396 WeakPolarHBondContact ND2-CG 3.42Å; N369-E396 PolarHBondContact ND2-OE2 3.15Å
370	D	77.6	Confident	81.3	Confident	122 Å²	122	92.5 Å²	92.5	65%	0.652	49%	0.494	S	S	*	.			trans	-86	-8	176.3	67.4	-42	0	0	0	113.7	I372	D370-I372 PolarHBondContact O-N 3.4Å
371	K	73.6	Confident	81.1	Confident	100 Å²	100	91.4 Å²	91.4	44%	0.435	50%	0.496	S	S	.	.			trans	-77.1	124.5	-169.5	-59.4	-54.1	175.8	-144.5	0	112.4	K306 N369 E396	K306-K371 PolarHBondContact NZ-O 2.95Å; N369-K371 PolarHBondContact OD1-N 3.22Å; K371-E396 HydrophobicContact CB-CG 4.43Å; K371-E396 WeakPolarHBondContact CG-OE1 3.23Å
372	I	84.1	Confident	81.1	Confident	67 Å²	67	89.2 Å²	89.2	34%	0.344	49%	0.486	S	S	.	.			trans	-141.7	130.2	170.2	-53.5	173.8	0	0	0	106.1	L299 I302 D370 I392	L299-I372 HydrophobicContact CD1-CD1 4.14Å; L299-I372 HydrophobicContact CD1-CG2 3.57Å; I302-I372 HydrophobicContact CG2-CD1 3.71Å; I302-I372 HydrophobicContact CG2-CG1 4.15Å; D370-I372 PolarHBondContact O-N 3.4Å; I372-I392 HydrophobicContact CG2-CG2 3.72Å
373	C	81.7	Confident	81.2	Confident	43 Å²	43	83.9 Å²	83.9	29%	0.291	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145	-179.6	63.6	0	0	0	0	111.5	N393	C373-N393 PolarHBondContact N-O 3.36Å; C373-N393 VanDerWaalsContact N-O 3.08Å; C373-N393 PolarHBondContact O-N 3.24Å; C373-N393 PolarHBondContact SG-O 3.29Å
374	F	86.1	Confident	81.6	Confident	116 Å²	116	86.3 Å²	86.3	51%	0.509	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.3	172.9	176.9	-120.8	0	0	0	109.4	L295 P376 G390 T391	L295-F374 HydrophobicContact CD1-CD2 4.42Å; L295-F374 HydrophobicContact CD1-CE2 3.6Å; L295-F374 HydrophobicContact CD1-CZ 4.29Å; F374-P376 HydrophobicContact CD1-CB 4.35Å; F374-P376 HydrophobicContact CD1-CG 4.42Å; F374-P376 HydrophobicContact CE1-CB 3.72Å; F374-P376 HydrophobicContact CE1-CG 4.26Å; F374-P376 HydrophobicContact CZ-CB 4.16Å; F374-P376 VanDerWaalsContact O-CD 3.24Å; F374-P376 WeakPolarHBondContact O-CD 3.42Å; F374-G390 VanDerWaalsContact CE2-CA 3.48Å; F374-T391 WeakPolarHBondContact CD2-O 3.33Å
375	C	81.3	Confident	82	Confident	15 Å²	15	84.8 Å²	84.8	10%	0.101	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	86.3	-177.3	-61.2	0	0	0	0	109.9	Q377 E378 G390 T391 R434	C375-Q377 PolarHBondContact O-N 3.32Å; C375-E378 HydrophobicContact CB-CB 3.97Å; C375-E378 PolarHBondContact O-N 3.44Å; C375-G390 VanDerWaalsContact O-CA 3.26Å; C375-G390 WeakPolarHBondContact O-CA 3.46Å; C375-T391 PolarHBondContact N-O 3.42Å; C375-T391 PolarHBondContact O-N 2.84Å; C375-R434 VanDerWaalsContact SG-CD 3.58Å
376	P	84.6	Confident	82.8	Confident	61 Å²	61	77.5 Å²	77.5	40%	0.396	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-21.2	-170.8	18.7	-26.7	0	0	0	114.6	F374 Y389 G390	F374-P376 HydrophobicContact CD1-CB 4.35Å; F374-P376 HydrophobicContact CD1-CG 4.42Å; F374-P376 HydrophobicContact CE1-CB 3.72Å; F374-P376 HydrophobicContact CE1-CG 4.26Å; F374-P376 HydrophobicContact CZ-CB 4.16Å; F374-P376 VanDerWaalsContact O-CD 3.24Å; F374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-Y389 VanDerWaalsContact O-CB 3.31Å; P376-Y389 WeakPolarHBondContact O-CB 3.45Å; P376-G390 PolarHBondContact O-N 3.23Å
377	Q	81.1	Confident	83.4	Confident	150 Å²	150	77.7 Å²	77.7	70%	0.701	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	-6.4	-179.7	-59.2	83.1	9.1	0	0	113.8	C375	C375-Q377 PolarHBondContact O-N 3.32Å
378	E	80.8	Confident	84.4	Confident	85 Å²	85	75.1 Å²	75.1	40%	0.397	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.7	179.8	-169	173.4	-179.1	0	0	110.1	C375 A380 Y389 G390 T391	C375-E378 HydrophobicContact CB-CB 3.97Å; C375-E378 PolarHBondContact O-N 3.44Å; E378-A380 PolarHBondContact O-N 2.89Å; E378-Y389 CarbonylContact O-C 3.55Å; E378-Y389 VanDerWaalsContact O-CA 3.29Å; E378-Y389 WeakPolarHBondContact O-CA 3.27Å; E378-G390 PolarHBondContact O-N 3.15Å; E378-T391 HydrophobicContact CB-CG2 4.1Å; E378-T391 WeakPolarHBondContact CB-OG1 3.49Å; E378-T391 VanDerWaalsContact CD-OG1 3.27Å; E378-T391 HydrophobicContact CG-CG2 3.97Å; E378-T391 PolarHBondContact OE2-OG1 3.5Å
379	K	86.1	Confident	85	Confident	128 Å²	128	77.8 Å²	77.8	56%	0.557	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	123.4	179.4	-73.9	-168	173.5	-150.7	0	110.2	E387 Y389	K379-E387 IonicContact NZ-OE1 2.77Å; K379-E387 PolarHBondContact NZ-OE1 2.92Å; K379-Y389 HydrophobicContact CD-CE1 4.35Å; K379-Y389 WeakPolarHBondContact CE-OH 3.44Å; K379-Y389 HydrophobicContact CG-CD1 3.95Å; K379-Y389 HydrophobicContact CG-CE1 3.47Å; K379-Y389 VanDerWaalsContact CG-CE1 3.47Å
380	A	86.4	Confident	85.7	Confident	40 Å²	40	75.3 Å²	75.3	33%	0.331	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	1.9	179.6	0	0	0	0	0	113.5	H291 E378 I388 G390 T391	H291-A380 VanDerWaalsContact CE1-CB 3.48Å; H291-A380 WeakPolarHBondContact CE1-CB 3.36Å; E378-A380 PolarHBondContact O-N 2.89Å; A380-I388 HydrophobicContact CB-CG2 4.47Å; A380-I388 PolarHBondContact N-O 2.84Å; A380-G390 WeakPolarHBondContact CB-O 3.21Å; A380-T391 HydrophobicContact CB-CG2 4.02Å
381	G	88.4	Confident	86.2	Confident	41 Å²	41	70.7 Å²	70.7	42%	0.423	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102	-147.3	-178.7	0	0	0	0	0	112.1	I388	G381-I388 PolarHBondContact O-N 2.96Å
382	Q	89.1	Confident	86.8	Confident	145 Å²	145	67.6 Å²	67.6	68%	0.678	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.6	178.2	-69.6	178.6	-5.7	0	0	111.5	Y386 E387	Q382-Y386 CarbonylContact C-O 3.55Å; Q382-Y386 WeakPolarHBondContact CA-O 3.36Å; Q382-E387 HydrophobicContact CG-CG 4.33Å
383	C	88.6	Confident	86.6	Confident	32 Å²	32	65.7 Å²	65.7	22%	0.216	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.8	169.6	-171.8	0	0	0	0	108.4	A287 G385 Y386 I388	A287-C383 HydrophobicContact CB-CB 4.36Å; C383-G385 PolarHBondContact O-N 3.34Å; C383-Y386 PolarHBondContact N-O 2.96Å; C383-Y386 WeakPolarHBondContact O-CB 3.48Å; C383-Y386 WeakPolarHBondContact O-CD2 3.34Å; C383-Y386 PolarHBondContact O-N 2.71Å; C383-I388 HydrophobicContact CB-CD1 3.31Å; C383-I388 HydrophobicContact CB-CG1 4.11Å
384	H	86.2	Confident	86.5	Confident	117 Å²	117	66.6 Å²	66.6	54%	0.542	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	29.1	-176.2	-71.6	90.8	0	0	0	113.8	A287 E290 Y386	A287-H384 HydrophobicContact CB-CB 4.21Å; E290-H384 VanDerWaalsContact CD-CE1 3.45Å; E290-H384 IonicContact OE1-CE1 2.93Å; E290-H384 PolarHBondContact OE1-CE1 2.8Å; E290-H384 VanDerWaalsContact OE1-CE1 3.31Å; E290-H384 IonicContact OE2-CE1 3.76Å; E290-H384 PolarHBondContact OE2-CE1 3.03Å; E290-H384 IonicContact OE2-ND1 3.86Å; E290-H384 PolarHBondContact OE2-ND1 3.12Å; H384-Y386 VanDerWaalsContact C-N 3.29Å; H384-Y386 HydrophobicContact CB-CD2 3.97Å; H384-Y386 HydrophobicContact CB-CE2 4.16Å; H384-Y386 WeakPolarHBondContact O-CD2 3.47Å; H384-Y386 PolarHBondContact O-N 2.78Å
385	G	86.9	Confident	85.9	Confident	61 Å²	61	66.4 Å²	66.4	63%	0.629	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-4.6	-176.8	0	0	0	0	0	115.3	C383	C383-G385 PolarHBondContact O-N 3.34Å
386	Y	90.7	Very high	85.7	Confident	48 Å²	48	68.7 Å²	68.7	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.6	176.2	-57.9	-79.1	0	0	0	110.8	F280 Y284 A287 Q382 C383 H384 I388	F280-Y386 HydrophobicContact CD2-CE1 4.16Å; F280-Y386 AromaticContact CE2-CE1 3.61Å; F280-Y386 HydrophobicContact CE2-CE1 3.61Å; F280-Y386 AromaticContact CZ-CE1 3.94Å; F280-Y386 HydrophobicContact CZ-CE1 3.94Å; F280-Y386 PolarHBondContact O-OH 2.91Å; Y284-Y386 AromaticContact CD2-CD1 3.46Å; Y284-Y386 HydrophobicContact CD2-CD1 3.46Å; Y284-Y386 VanDerWaalsContact CD2-CD1 3.46Å; Y284-Y386 HydrophobicContact CD2-CD2 4.39Å; Y284-Y386 HydrophobicContact CD2-CE1 4.02Å; Y284-Y386 AromaticContact CD2-CG 3.67Å; Y284-Y386 HydrophobicContact CD2-CG 3.67Å; Y284-Y386 HydrophobicContact CE2-CD1 4.17Å; Y284-Y386 HydrophobicContact CE2-CG 4.31Å; Y284-Y386 HydrophobicContact CG-CD1 4.32Å; Y284-Y386 HydrophobicContact CG-CE1 4.47Å; A287-Y386 HydrophobicContact CB-CD2 3.64Å; A287-Y386 HydrophobicContact CB-CE2 4.34Å; A287-Y386 HydrophobicContact CB-CG 4.38Å; Q382-Y386 CarbonylContact C-O 3.55Å; Q382-Y386 WeakPolarHBondContact CA-O 3.36Å; C383-Y386 PolarHBondContact N-O 2.96Å; C383-Y386 WeakPolarHBondContact O-CB 3.48Å; C383-Y386 WeakPolarHBondContact O-CD2 3.34Å; C383-Y386 PolarHBondContact O-N 2.71Å; H384-Y386 VanDerWaalsContact C-N 3.29Å; H384-Y386 HydrophobicContact CB-CD2 3.97Å; H384-Y386 HydrophobicContact CB-CE2 4.16Å; H384-Y386 WeakPolarHBondContact O-CD2 3.47Å; H384-Y386 PolarHBondContact O-N 2.78Å; Y386-I388 PolarHBondContact O-N 3.47Å
387	E	92.7	Very high	85.4	Confident	98 Å²	98	66 Å²	66	46%	0.458	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.7	168.3	-74.9	-167.3	121.4	0	0	110.1	K379 Q382 Y389	K379-E387 IonicContact NZ-OE1 2.77Å; K379-E387 PolarHBondContact NZ-OE1 2.92Å; Q382-E387 HydrophobicContact CG-CG 4.33Å; E387-Y389 HydrophobicContact CB-CE2 4.37Å
388	I	93.4	Very high	85.5	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.056	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.1	-178.5	-59.7	-159.8	0	0	0	110.9	A287 H291 A380 G381 C383 Y386	A287-I388 HydrophobicContact CB-CD1 4.18Å; A287-I388 VanDerWaalsContact O-CD1 3.31Å; A287-I388 WeakPolarHBondContact O-CD1 3.44Å; H291-I388 HydrophobicContact CB-CD1 3.85Å; H291-I388 HydrophobicContact CB-CG2 3.91Å; H291-I388 WeakPolarHBondContact CD2-CG2 3.45Å; H291-I388 WeakPolarHBondContact NE2-CG2 3.3Å; A380-I388 HydrophobicContact CB-CG2 4.47Å; A380-I388 PolarHBondContact N-O 2.84Å; G381-I388 PolarHBondContact O-N 2.96Å; C383-I388 HydrophobicContact CB-CD1 3.31Å; C383-I388 HydrophobicContact CB-CG1 4.11Å; Y386-I388 PolarHBondContact O-N 3.47Å
389	Y	91.1	Very high	85.8	Confident	102 Å²	102	57.2 Å²	57.2	40%	0.4	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156	-180	-60.9	-99.6	0	0	0	110.5	H291 P376 E378 K379 E387	H291-Y389 PolarHBondContact NE2-O 3.35Å; P376-Y389 VanDerWaalsContact O-CB 3.31Å; P376-Y389 WeakPolarHBondContact O-CB 3.45Å; E378-Y389 CarbonylContact O-C 3.55Å; E378-Y389 VanDerWaalsContact O-CA 3.29Å; E378-Y389 WeakPolarHBondContact O-CA 3.27Å; K379-Y389 HydrophobicContact CD-CE1 4.35Å; K379-Y389 WeakPolarHBondContact CE-OH 3.44Å; K379-Y389 HydrophobicContact CG-CD1 3.95Å; K379-Y389 HydrophobicContact CG-CE1 3.47Å; K379-Y389 VanDerWaalsContact CG-CE1 3.47Å; E387-Y389 HydrophobicContact CB-CE2 4.37Å
390	G	88.8	Confident	85.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	106.1	108.1	-177.8	0	0	0	0	0	112	H291 F374 C375 P376 E378 A380	H291-G390 PolarHBondContact CE1-O 3.19Å; H291-G390 VanDerWaalsContact CE1-O 3.25Å; H291-G390 PolarHBondContact NE2-O 3.21Å; F374-G390 VanDerWaalsContact CE2-CA 3.48Å; C375-G390 VanDerWaalsContact O-CA 3.26Å; C375-G390 WeakPolarHBondContact O-CA 3.46Å; P376-G390 PolarHBondContact O-N 3.23Å; E378-G390 PolarHBondContact O-N 3.15Å; A380-G390 WeakPolarHBondContact CB-O 3.21Å
391	T	87.8	Confident	85.8	Confident	25 Å²	25	56.4 Å²	56.4	15%	0.153	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.4	175.8	59.6	0	0	0	0	110	F374 C375 E378 A380	F374-T391 WeakPolarHBondContact CD2-O 3.33Å; C375-T391 PolarHBondContact N-O 3.42Å; C375-T391 PolarHBondContact O-N 2.84Å; E378-T391 HydrophobicContact CB-CG2 4.1Å; E378-T391 WeakPolarHBondContact CB-OG1 3.49Å; E378-T391 VanDerWaalsContact CD-OG1 3.27Å; E378-T391 HydrophobicContact CG-CG2 3.97Å; E378-T391 PolarHBondContact OE2-OG1 3.5Å; A380-T391 HydrophobicContact CB-CG2 4.02Å
392	I	87.8	Confident	85.9	Confident	34 Å²	34	54.5 Å²	54.5	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.9	168.4	-67.6	159.5	0	0	0	108.2	L295 Q298 L299 I302 I372	L295-I392 HydrophobicContact CB-CD1 4Å; L295-I392 HydrophobicContact CD2-CD1 4.04Å; L295-I392 HydrophobicContact CD2-CG1 4.08Å; L295-I392 WeakPolarHBondContact O-CD1 3.4Å; Q298-I392 HydrophobicContact CB-CD1 4.09Å; L299-I392 HydrophobicContact CB-CD1 3.94Å; I302-I392 HydrophobicContact CD1-CG2 3.58Å; I372-I392 HydrophobicContact CG2-CG2 3.72Å
393	N	79.4	Confident	86	Confident	28 Å²	28	49.8 Å²	49.8	15%	0.15	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133	-178.5	-162.4	-22.3	0	0	0	110.8	C373 K395 R434	C373-N393 PolarHBondContact N-O 3.36Å; C373-N393 VanDerWaalsContact N-O 3.08Å; C373-N393 PolarHBondContact O-N 3.24Å; C373-N393 PolarHBondContact SG-O 3.29Å; N393-K395 VanDerWaalsContact OD1-CB 3.26Å; N393-K395 WeakPolarHBondContact OD1-CB 3.39Å; N393-K395 WeakPolarHBondContact OD1-CG 3.31Å; N393-K395 PolarHBondContact OD1-N 3.28Å; N393-R434 PolarHBondContact ND2-NH1 3.21Å; N393-R434 PolarHBondContact OD1-NH1 3.01Å
394	T	79.1	Confident	86.2	Confident	62 Å²	62	49.4 Å²	49.4	38%	0.38	26%	0.261	S	S	.	.			trans	-110.9	-3.3	179.3	55.7	0	0	0	0	112.5	I302	I302-T394 HydrophobicContact CD1-CG2 3.79Å; I302-T394 HydrophobicContact CG1-CG2 4.28Å; I302-T394 HydrophobicContact CG2-CG2 3.97Å
395	K	74.1	Confident	86.4	Confident	112 Å²	112	48.9 Å²	48.9	49%	0.487	26%	0.259	S	S	.	.			trans	-70.3	133.9	178.7	-63.8	-172.3	176.4	-165.3	0	111.1	N393 D426 R434	N393-K395 VanDerWaalsContact OD1-CB 3.26Å; N393-K395 WeakPolarHBondContact OD1-CB 3.39Å; N393-K395 WeakPolarHBondContact OD1-CG 3.31Å; N393-K395 PolarHBondContact OD1-N 3.28Å; K395-D426 IonicContact NZ-OD2 3.16Å; K395-R434 PolarHBondContact O-NH1 3.27Å; K395-R434 PolarHBondContact O-NH2 3.5Å
396	E	75.9	Confident	86.1	Confident	62 Å²	62	47.8 Å²	47.8	29%	0.29	25%	0.248	S	C	.	.			trans	-104.4	143.3	176.6	-67.6	-157.2	112.8	0	0	111.7	N369 K371 D398 D426 K484	N369-E396 VanDerWaalsContact CG-CD 3.47Å; N369-E396 WeakPolarHBondContact ND2-CG 3.42Å; N369-E396 PolarHBondContact ND2-OE2 3.15Å; K371-E396 HydrophobicContact CB-CG 4.43Å; K371-E396 WeakPolarHBondContact CG-OE1 3.23Å; E396-D398 PolarHBondContact O-N 3.31Å; E396-D426 VanDerWaalsContact O-CA 3.27Å; E396-D426 WeakPolarHBondContact O-CA 3.38Å; E396-D426 WeakPolarHBondContact O-CB 3.32Å; E396-K484 IonicContact OE1-NZ 2.71Å; E396-K484 PolarHBondContact OE1-NZ 3.47Å
397	V	79.9	Confident	85.1	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.024	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-65.4	127.8	160.2	-170.6	0	0	0	0	109.1	P399 C402 C424 K425 M432 D437 V483	V397-P399 WeakPolarHBondContact O-CD 3.32Å; V397-C402 WeakPolarHBondContact CG1-SG 3.22Å; V397-C424 HydrophobicContact CG1-CB 3.75Å; V397-C424 HydrophobicContact CG2-CB 4.04Å; V397-K425 CarbonylContact C-O 3.54Å; V397-K425 WeakPolarHBondContact CA-O 3.46Å; V397-M432 HydrophobicContact CG2-CE 3.77Å; V397-M432 HydrophobicContact CG2-CG 3.86Å; V397-M432 HydrophobicContact CG2-SD 4.04Å; V397-D437 VanDerWaalsContact CG2-CG 3.49Å; V397-D437 WeakPolarHBondContact CG2-OD2 3.49Å; V397-V483 HydrophobicContact CB-CG1 4.13Å; V397-V483 HydrophobicContact CG1-CG1 3.84Å
398	D	82.9	Confident	84.1	Confident	43 Å²	43	53 Å²	53	23%	0.23	28%	0.277	C	S	.	.			trans	-94.7	107.5	167.2	-178.9	-10.7	0	0	0	108.5	E396 A400 K401 C402 K425 A427	E396-D398 PolarHBondContact O-N 3.31Å; D398-A400 PolarHBondContact O-N 2.81Å; D398-A400 VanDerWaalsContact O-N 3.16Å; D398-A400 WeakPolarHBondContact OD1-CB 3.47Å; D398-A400 PolarHBondContact OD1-N 2.62Å; D398-K401 HydrophobicContact CB-CB 4.1Å; D398-K401 HydrophobicContact CB-CG 3.99Å; D398-K401 PolarHBondContact O-N 2.93Å; D398-K401 VanDerWaalsContact OD2-CG 3.28Å; D398-K401 WeakPolarHBondContact OD2-CG 3.43Å; D398-C402 PolarHBondContact O-N 3.07Å; D398-C402 PolarHBondContact O-SG 2.99Å; D398-K425 PolarHBondContact N-O 3.21Å; D398-A427 HydrophobicContact CB-CB 4.41Å
399	P	85.8	Confident	83.3	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.052	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-54.3	-35.3	179.1	-25.6	35.8	0	0	0	112.5	V397 K401 C402 V483 Q486 V488 Q489	V397-P399 WeakPolarHBondContact O-CD 3.32Å; P399-K401 PolarHBondContact O-N 2.99Å; P399-C402 WeakPolarHBondContact O-CB 3.47Å; P399-C402 PolarHBondContact O-N 3.11Å; P399-V483 HydrophobicContact CB-CB 4.24Å; P399-V483 HydrophobicContact CG-CB 4.08Å; P399-V483 HydrophobicContact CG-CG1 4.25Å; P399-V483 WeakPolarHBondContact CG-O 3.3Å; P399-Q486 HydrophobicContact CB-CB 4.05Å; P399-Q486 HydrophobicContact CB-CG 4.14Å; P399-Q486 HydrophobicContact CG-CB 3.98Å; P399-Q486 HydrophobicContact CG-CG 4.39Å; P399-V488 WeakPolarHBondContact O-CA 3.42Å; P399-Q489 PolarHBondContact O-N 3Å
400	A	85	Confident	82.7	Confident	54 Å²	54	54.3 Å²	54.3	45%	0.446	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-71.5	-17.2	-178.7	0	0	0	0	0	113.4	D398 Q489	D398-A400 PolarHBondContact O-N 2.81Å; D398-A400 VanDerWaalsContact O-N 3.16Å; D398-A400 WeakPolarHBondContact OD1-CB 3.47Å; D398-A400 PolarHBondContact OD1-N 2.62Å; A400-Q489 PolarHBondContact O-OE1 3.37Å
401	K	87.8	Confident	82.2	Confident	98 Å²	98	60.7 Å²	60.7	43%	0.426	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-100.6	-12.6	176.2	-62.8	-69.1	-174.8	175.9	0	113.3	D398 P399 K425	D398-K401 HydrophobicContact CB-CB 4.1Å; D398-K401 HydrophobicContact CB-CG 3.99Å; D398-K401 PolarHBondContact O-N 2.93Å; D398-K401 VanDerWaalsContact OD2-CG 3.28Å; D398-K401 WeakPolarHBondContact OD2-CG 3.43Å; P399-K401 PolarHBondContact O-N 2.99Å; K401-K425 HydrophobicContact CB-CB 4.11Å; K401-K425 WeakPolarHBondContact O-CD 3.4Å
402	C	91.3	Very high	82.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.			trans	-66.1	142.1	178.4	-66.3	0	0	0	0	111.3	V397 D398 P399 L422 L423 V488 Q489	V397-C402 WeakPolarHBondContact CG1-SG 3.22Å; D398-C402 PolarHBondContact O-N 3.07Å; D398-C402 PolarHBondContact O-SG 2.99Å; P399-C402 WeakPolarHBondContact O-CB 3.47Å; P399-C402 PolarHBondContact O-N 3.11Å; C402-L422 HydrophobicContact CB-CD1 4.01Å; C402-L423 VanDerWaalsContact CA-O 3.32Å; C402-L423 WeakPolarHBondContact CA-O 3.19Å; C402-V488 HydrophobicContact CB-CB 3.98Å; C402-V488 HydrophobicContact CB-CG1 3.92Å; C402-Q489 WeakPolarHBondContact O-CB 3.5Å
403	V	91.5	Very high	82.1	Confident	47 Å²	47	59.9 Å²	59.9	29%	0.285	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.6	-175.1	-176.9	0	0	0	0	110.5	Q405 L423 K425	V403-Q405 HydrophobicContact CG1-CG 4.31Å; V403-L423 PolarHBondContact N-O 2.77Å; V403-L423 PolarHBondContact O-N 3.36Å; V403-K425 HydrophobicContact CG2-CD 4.49Å
404	L	92.1	Very high	82.5	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.12	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.1	171.9	-63.9	170.8	0	0	0	110.1	L409 F420 L422 V481 V488 F493	L404-L409 HydrophobicContact CB-CD1 4.35Å; L404-L409 HydrophobicContact CB-CD2 3.92Å; L404-L409 HydrophobicContact CD1-CD2 4.39Å; L404-F420 HydrophobicContact CD2-CD2 3.91Å; L404-F420 HydrophobicContact CD2-CE2 3.73Å; L404-L422 HydrophobicContact CD2-CB 4.13Å; L404-L422 HydrophobicContact CD2-CD1 3.73Å; L404-L422 HydrophobicContact CG-CD1 4.48Å; L404-V481 HydrophobicContact CD1-CG2 4.38Å; L404-V481 HydrophobicContact CD2-CB 4.35Å; L404-V481 HydrophobicContact CD2-CG1 4.12Å; L404-V481 HydrophobicContact CD2-CG2 4.17Å; L404-V488 HydrophobicContact CD1-CG2 3.99Å; L404-V488 HydrophobicContact CD2-CG2 4.2Å; L404-V488 HydrophobicContact CG-CG2 4.02Å; L404-F493 HydrophobicContact CD1-CD1 3.98Å; L404-F493 HydrophobicContact CD1-CE1 3.57Å
405	Q	89.9	Confident	82.9	Confident	106 Å²	106	63.7 Å²	63.7	50%	0.495	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134	178.3	-71.1	-176.2	-2.4	0	0	111.1	V403 F420 T421 L423	V403-Q405 HydrophobicContact CG1-CG 4.31Å; Q405-F420 CarbonylContact O-C 3.54Å; Q405-F420 WeakPolarHBondContact O-CA 3.44Å; Q405-F420 WeakPolarHBondContact O-CB 3.34Å; Q405-T421 PolarHBondContact N-O 3.22Å; Q405-T421 PolarHBondContact O-N 3.12Å; Q405-L423 HydrophobicContact CB-CD1 3.94Å; Q405-L423 VanDerWaalsContact CD-CD1 3.47Å; Q405-L423 HydrophobicContact CG-CD1 3.69Å
406	G	82.2	Confident	83.5	Confident	39 Å²	39	62.6 Å²	62.6	40%	0.402	31%	0.31	S	S	.	.			trans	161	145.4	175.1	0	0	0	0	0	113	D408 L409	G406-D408 PolarHBondContact O-N 3.45Å; G406-L409 WeakPolarHBondContact O-CD1 3.37Å; G406-L409 PolarHBondContact O-N 2.89Å
407	E	68.9	Low	84.2	Confident	197 Å²	197	63.8 Å²	63.8	92%	0.921	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26	-177.8	-60.9	-169.3	159.1	0	0	112.7
408	D	71.8	Confident	84.7	Confident	59 Å²	59	63.7 Å²	63.7	32%	0.316	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14.2	-176.1	-63.7	-39.8	0	0	0	114.3	G406 H410 A418	G406-D408 PolarHBondContact O-N 3.45Å; D408-H410 PolarHBondContact O-N 2.91Å; D408-H410 VanDerWaalsContact O-N 3.07Å; D408-A418 HydrophobicContact CB-CB 3.98Å
409	L	75.8	Confident	85.1	Confident	24 Å²	24	63.1 Å²	63.1	13%	0.126	32%	0.321	C	S	.	.	S	Bend	trans	-57.4	-25.9	-179.3	-88.4	160.2	0	0	0	113.7	L404 G406 F420 F493 V495	L404-L409 HydrophobicContact CB-CD1 4.35Å; L404-L409 HydrophobicContact CB-CD2 3.92Å; L404-L409 HydrophobicContact CD1-CD2 4.39Å; G406-L409 WeakPolarHBondContact O-CD1 3.37Å; G406-L409 PolarHBondContact O-N 2.89Å; L409-F420 HydrophobicContact CD2-CB 4.12Å; L409-F420 HydrophobicContact CD2-CD1 4.43Å; L409-F420 HydrophobicContact CD2-CD2 4.29Å; L409-F420 HydrophobicContact CD2-CG 4.04Å; L409-F420 HydrophobicContact CG-CB 4.07Å; L409-F493 HydrophobicContact CD2-CE1 4.14Å; L409-F493 HydrophobicContact CD2-CE2 3.98Å; L409-F493 HydrophobicContact CD2-CZ 3.68Å; L409-F493 WeakPolarHBondContact O-CD2 3.37Å; L409-F493 WeakPolarHBondContact O-CE2 3.43Å; L409-V495 WeakPolarHBondContact O-CG2 2.96Å
410	H	78.8	Confident	85.5	Confident	115 Å²	115	62.9 Å²	62.9	53%	0.532	32%	0.319	S	S	.	.	S	Bend	trans	-125.7	-9	-177.9	-61.3	-58.5	0	0	0	114.4	D408 T494 T496	D408-H410 PolarHBondContact O-N 2.91Å; D408-H410 VanDerWaalsContact O-N 3.07Å; H410-T494 PolarHBondContact ND1-O 3.32Å; H410-T496 PolarHBondContact O-N 2.69Å; H410-T496 VanDerWaalsContact O-N 3.12Å
411	R	78.9	Confident	85.9	Confident	134 Å²	134	62.2 Å²	62.2	51%	0.506	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.7	-172.9	-62	177.8	75.3	-168.7	2.1	109.3
412	A	86.2	Confident	86.2	Confident	5 Å²	5	57.6 Å²	57.6	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	174	174.4	0	0	0	0	0	110.4	A418 P471 V495 T496 V497 R498	A412-A418 HydrophobicContact CB-CB 3.85Å; A412-P471 HydrophobicContact CB-CG 4.33Å; A412-V495 HydrophobicContact CB-CG1 3.69Å; A412-T496 PolarHBondContact N-O 2.89Å; A412-T496 VanDerWaalsContact N-O 3.16Å; A412-V497 HydrophobicContact CB-CG2 4.02Å; A412-V497 WeakPolarHBondContact O-CA 3.45Å; A412-R498 PolarHBondContact O-N 2.85Å
413	R	86.6	Confident	86.2	Confident	38 Å²	38	58.5 Å²	58.5	14%	0.143	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.6	179.8	-71.7	-66.1	-176.9	-70.3	-10.8	110.7	K415 Q416 P471 R498 R499	R413-K415 PolarHBondContact O-N 3.11Å; R413-Q416 HydrophobicContact CB-CB 3.98Å; R413-Q416 HydrophobicContact CB-CG 4.1Å; R413-Q416 PolarHBondContact O-N 3.11Å; R413-Q416 VanDerWaalsContact O-N 3.1Å; R413-P471 WeakPolarHBondContact O-CG 3.38Å; R413-R498 CarbonylContact C-O 3.59Å; R413-R498 WeakPolarHBondContact CA-O 3.49Å; R413-R499 WeakPolarHBondContact CD-O 3.49Å
414	E	88.5	Confident	86.1	Confident	36 Å²	36	56.3 Å²	56.3	17%	0.168	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	127.3	175.5	-170.3	-157.5	157.2	0	0	110.1	Q416 K472 V497 R498 K500	E414-Q416 PolarHBondContact O-N 3.31Å; E414-K472 WeakPolarHBondContact CG-O 3.33Å; E414-V497 HydrophobicContact CB-CG1 4.44Å; E414-R498 PolarHBondContact N-O 3.2Å; E414-K500 HydrophobicContact CB-CB 4.44Å
415	K	86.3	Confident	85.9	Confident	133 Å²	133	57.7 Å²	57.7	58%	0.578	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	19.9	179.5	-60.8	163.7	-174.9	170.1	0	114.8	R413 P471	R413-K415 PolarHBondContact O-N 3.11Å; K415-P471 PolarHBondContact N-O 3.29Å
416	Q	87.8	Confident	85.6	Confident	89 Å²	89	53.4 Å²	53.4	42%	0.416	27%	0.267	S	S	.	.	S	Bend	trans	-115.3	137.9	169	-64.9	-173.6	-34.4	0	0	109.2	R413 E414 A418 P471	R413-Q416 HydrophobicContact CB-CB 3.98Å; R413-Q416 HydrophobicContact CB-CG 4.1Å; R413-Q416 PolarHBondContact O-N 3.11Å; R413-Q416 VanDerWaalsContact O-N 3.1Å; E414-Q416 PolarHBondContact O-N 3.31Å; Q416-A418 PolarHBondContact O-N 3.18Å; Q416-P471 WeakPolarHBondContact O-CD 3.45Å
417	T	89.6	Confident	85.3	Confident	87 Å²	87	55 Å²	55	53%	0.534	28%	0.276	S	S	.	.			trans	-68.6	121.7	176.7	-50	0	0	0	0	109.2	T470	T417-T470 PolarHBondContact OG1-OG1 3.48Å
418	A	90.9	Very high	85.7	Confident	3 Å²	3	49.6 Å²	49.6	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	145.2	167.9	0	0	0	0	0	108.6	D408 A412 Q416 S468 Y469	D408-A418 HydrophobicContact CB-CB 3.98Å; A412-A418 HydrophobicContact CB-CB 3.85Å; Q416-A418 PolarHBondContact O-N 3.18Å; A418-S468 VanDerWaalsContact O-CA 3.27Å; A418-S468 WeakPolarHBondContact O-CA 3.32Å; A418-Y469 HydrophobicContact CB-CE1 4.07Å; A418-Y469 HydrophobicContact CB-CE2 4.18Å; A418-Y469 PolarHBondContact N-O 3.29Å; A418-Y469 PolarHBondContact O-N 3.03Å
419	S	92.5	Very high	86	Confident	30 Å²	30	47.8 Å²	47.8	21%	0.21	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152	-179.5	61.4	0	0	0	0	114	Y466 I467	S419-Y466 VanDerWaalsContact CB-CZ 3.4Å; S419-Y466 WeakPolarHBondContact CB-OH 3.33Å; S419-Y466 PolarHBondContact OG-OH 3.22Å; S419-I467 CarbonylContact C-O 3.58Å; S419-I467 WeakPolarHBondContact CA-O 3.35Å; S419-I467 WeakPolarHBondContact CB-O 3.37Å
420	F	93.6	Very high	86.2	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.2	172.6	60.4	-91.9	0	0	0	109.7	L404 Q405 L409 I467 Y469 V479 V481 F493	L404-F420 HydrophobicContact CD2-CD2 3.91Å; L404-F420 HydrophobicContact CD2-CE2 3.73Å; Q405-F420 CarbonylContact O-C 3.54Å; Q405-F420 WeakPolarHBondContact O-CA 3.44Å; Q405-F420 WeakPolarHBondContact O-CB 3.34Å; L409-F420 HydrophobicContact CD2-CB 4.12Å; L409-F420 HydrophobicContact CD2-CD1 4.43Å; L409-F420 HydrophobicContact CD2-CD2 4.29Å; L409-F420 HydrophobicContact CD2-CG 4.04Å; L409-F420 HydrophobicContact CG-CB 4.07Å; F420-I467 HydrophobicContact CD2-CB 4.16Å; F420-I467 HydrophobicContact CD2-CD1 4.12Å; F420-I467 HydrophobicContact CE1-CB 4.34Å; F420-I467 HydrophobicContact CE1-CG2 3.85Å; F420-I467 HydrophobicContact CE2-CB 3.8Å; F420-I467 HydrophobicContact CE2-CD1 3.44Å; F420-I467 VanDerWaalsContact CE2-CD1 3.44Å; F420-I467 HydrophobicContact CE2-CG1 4.22Å; F420-I467 HydrophobicContact CE2-CG2 3.91Å; F420-I467 HydrophobicContact CZ-CB 3.91Å; F420-I467 HydrophobicContact CZ-CD1 4.08Å; F420-I467 HydrophobicContact CZ-CG2 3.48Å; F420-I467 VanDerWaalsContact CZ-CG2 3.48Å; F420-I467 PolarHBondContact N-O 3.18Å; F420-I467 WeakPolarHBondContact O-CA 3.47Å; F420-I467 PolarHBondContact O-N 2.77Å; F420-I467 VanDerWaalsContact O-O 3.09Å; F420-Y469 HydrophobicContact CD1-CE1 4.21Å; F420-Y469 HydrophobicContact CE1-CD1 4.29Å; F420-Y469 AromaticContact CE1-CE1 3.83Å; F420-Y469 HydrophobicContact CE1-CE1 3.83Å; F420-V479 HydrophobicContact CE1-CG1 4.34Å; F420-V479 HydrophobicContact CZ-CG1 4.15Å; F420-V481 HydrophobicContact CE2-CG2 3.82Å; F420-V481 HydrophobicContact CZ-CG2 3.78Å; F420-F493 HydrophobicContact CE1-CZ 4.09Å; F420-F493 HydrophobicContact CZ-CZ 4.1Å
421	T	93.4	Very high	86.4	Confident	41 Å²	41	51.7 Å²	51.7	25%	0.252	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132	-179.9	-54.4	0	0	0	0	109.7	Q405 L423 Y465	Q405-T421 PolarHBondContact N-O 3.22Å; Q405-T421 PolarHBondContact O-N 3.12Å; T421-L423 HydrophobicContact CG2-CD1 4.21Å; T421-Y465 CarbonylContact C-O 3.53Å; T421-Y465 WeakPolarHBondContact CA-O 3.2Å
422	L	93.4	Very high	86.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.2	168.9	170.7	67.6	0	0	0	109	C402 L404 I439 T464 Y465 I467 V481 V483 V488	C402-L422 HydrophobicContact CB-CD1 4.01Å; L404-L422 HydrophobicContact CD2-CB 4.13Å; L404-L422 HydrophobicContact CD2-CD1 3.73Å; L404-L422 HydrophobicContact CG-CD1 4.48Å; L422-I439 HydrophobicContact CD2-CD1 3.73Å; L422-I439 HydrophobicContact CD2-CG1 4.2Å; L422-I439 HydrophobicContact CD2-CG2 3.76Å; L422-T464 CarbonylContact O-C 3.41Å; L422-T464 VanDerWaalsContact O-CA 3.29Å; L422-T464 WeakPolarHBondContact O-CA 3.41Å; L422-Y465 HydrophobicContact CD2-CD2 4.38Å; L422-Y465 PolarHBondContact N-O 3.31Å; L422-Y465 PolarHBondContact O-N 2.88Å; L422-I467 HydrophobicContact CB-CD1 3.87Å; L422-V481 HydrophobicContact CD1-CG1 4.46Å; L422-V481 HydrophobicContact CD2-CG1 4.07Å; L422-V483 HydrophobicContact CD2-CG2 3.94Å; L422-V488 HydrophobicContact CD1-CB 4.41Å; L422-V488 HydrophobicContact CD1-CG1 4.1Å; L422-V488 HydrophobicContact CD1-CG2 4.24Å
423	L	92.1	Very high	85.9	Confident	20 Å²	20	48.8 Å²	48.8	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111.2	172.5	-72	78.7	0	0	0	108.8	C402 V403 Q405 T421 I431 T464	C402-L423 VanDerWaalsContact CA-O 3.32Å; C402-L423 WeakPolarHBondContact CA-O 3.19Å; V403-L423 PolarHBondContact N-O 2.77Å; V403-L423 PolarHBondContact O-N 3.36Å; Q405-L423 HydrophobicContact CB-CD1 3.94Å; Q405-L423 VanDerWaalsContact CD-CD1 3.47Å; Q405-L423 HydrophobicContact CG-CD1 3.69Å; T421-L423 HydrophobicContact CG2-CD1 4.21Å; L423-I431 HydrophobicContact CD2-CD1 4.42Å; L423-T464 HydrophobicContact CG-CG2 4.24Å
424	C	89.8	Confident	85.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.291	C	S	.	.			trans	-80.4	131.9	176.2	-71.2	0	0	0	0	110.3	V397 M432 G463 Y465	V397-C424 HydrophobicContact CG1-CB 3.75Å; V397-C424 HydrophobicContact CG2-CB 4.04Å; C424-M432 HydrophobicContact CB-CB 4.32Å; C424-M432 HydrophobicContact CB-CG 3.9Å; C424-M432 WeakPolarHBondContact O-CG 3.36Å; C424-M432 PolarHBondContact O-N 2.97Å; C424-G463 WeakPolarHBondContact CB-O 3.47Å; C424-G463 PolarHBondContact N-O 3Å; C424-Y465 HydrophobicContact CB-CE2 4.33Å; C424-Y465 WeakPolarHBondContact SG-CE2 3.48Å
425	K	87.3	Confident	84.3	Confident	53 Å²	53	47.8 Å²	47.8	23%	0.23	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-129.3	150.9	-179.1	-69.6	-177.8	163.4	-143.6	0	111.1	V397 D398 K401 V403 G429 E430 I431	V397-K425 CarbonylContact C-O 3.54Å; V397-K425 WeakPolarHBondContact CA-O 3.46Å; D398-K425 PolarHBondContact N-O 3.21Å; K401-K425 HydrophobicContact CB-CB 4.11Å; K401-K425 WeakPolarHBondContact O-CD 3.4Å; V403-K425 HydrophobicContact CG2-CD 4.49Å; K425-G429 WeakPolarHBondContact CD-O 3.44Å; K425-G429 PolarHBondContact NZ-O 3.41Å; K425-G429 VanDerWaalsContact NZ-O 3.09Å; K425-E430 CarbonylContact C-O 3.55Å; K425-E430 WeakPolarHBondContact CA-O 3.13Å; K425-E430 WeakPolarHBondContact CB-O 3.47Å; K425-I431 HydrophobicContact CG-CG1 4.39Å
426	D	83	Confident	83.6	Confident	16 Å²	16	44.6 Å²	44.6	9%	0.086	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-79.9	177.8	171.8	70.5	16.7	0	0	0	112.2	K395 E396 A428 G429 E430 M432	K395-D426 IonicContact NZ-OD2 3.16Å; E396-D426 VanDerWaalsContact O-CA 3.27Å; E396-D426 WeakPolarHBondContact O-CA 3.38Å; E396-D426 WeakPolarHBondContact O-CB 3.32Å; D426-A428 PolarHBondContact O-N 2.95Å; D426-A428 WeakPolarHBondContact OD1-CA 3.48Å; D426-A428 WeakPolarHBondContact OD1-CB 3.3Å; D426-A428 PolarHBondContact OD1-N 3.39Å; D426-G429 WeakPolarHBondContact O-CA 3.47Å; D426-G429 PolarHBondContact O-N 3.25Å; D426-G429 PolarHBondContact OD1-N 3.22Å; D426-E430 PolarHBondContact N-O 3.35Å; D426-E430 PolarHBondContact OD1-N 2.77Å; D426-M432 HydrophobicContact CB-SD 4.06Å
427	A	77.1	Confident	83.3	Confident	73 Å²	73	41.7 Å²	41.7	60%	0.603	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.1	178.6	0	0	0	0	0	113.4	D398 G429	D398-A427 HydrophobicContact CB-CB 4.41Å; A427-G429 VanDerWaalsContact C-N 3.27Å
428	A	76.7	Confident	82.9	Confident	83 Å²	83	42.6 Å²	42.6	69%	0.686	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.1	174.6	0	0	0	0	0	112.4	D426	D426-A428 PolarHBondContact O-N 2.95Å; D426-A428 WeakPolarHBondContact OD1-CA 3.48Å; D426-A428 WeakPolarHBondContact OD1-CB 3.3Å; D426-A428 PolarHBondContact OD1-N 3.39Å
429	G	76.9	Confident	82.9	Confident	21 Å²	21	43.3 Å²	43.3	22%	0.216	29%	0.288	C	S	.	.	S	Bend	trans	88.8	7.4	180	0	0	0	0	0	114	K425 D426 A427	K425-G429 WeakPolarHBondContact CD-O 3.44Å; K425-G429 PolarHBondContact NZ-O 3.41Å; K425-G429 VanDerWaalsContact NZ-O 3.09Å; D426-G429 WeakPolarHBondContact O-CA 3.47Å; D426-G429 PolarHBondContact O-N 3.25Å; D426-G429 PolarHBondContact OD1-N 3.22Å; A427-G429 VanDerWaalsContact C-N 3.27Å
430	E	81.3	Confident	82.8	Confident	125 Å²	125	46 Å²	46	58%	0.584	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-76.9	142.7	175.5	-67	-58.5	134.5	0	0	110.2	K425 D426 M432	K425-E430 CarbonylContact C-O 3.55Å; K425-E430 WeakPolarHBondContact CA-O 3.13Å; K425-E430 WeakPolarHBondContact CB-O 3.47Å; D426-E430 PolarHBondContact N-O 3.35Å; D426-E430 PolarHBondContact OD1-N 2.77Å; E430-M432 PolarHBondContact O-N 3.02Å
431	I	82.9	Confident	82.7	Confident	95 Å²	95	46.9 Å²	46.9	49%	0.487	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-69	134.1	178.2	-58.9	173	0	0	0	108.3	L423 K425 G433	L423-I431 HydrophobicContact CD2-CD1 4.42Å; K425-I431 HydrophobicContact CG-CG1 4.39Å; I431-G433 PolarHBondContact O-N 2.85Å
432	M	82.4	Confident	82.7	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.03	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-62.9	130.6	174	-62	-68.8	-64.7	0	0	108.9	V397 C424 D426 E430 R434 D462 G463	V397-M432 HydrophobicContact CG2-CE 3.77Å; V397-M432 HydrophobicContact CG2-CG 3.86Å; V397-M432 HydrophobicContact CG2-SD 4.04Å; C424-M432 HydrophobicContact CB-CB 4.32Å; C424-M432 HydrophobicContact CB-CG 3.9Å; C424-M432 WeakPolarHBondContact O-CG 3.36Å; C424-M432 PolarHBondContact O-N 2.97Å; D426-M432 HydrophobicContact CB-SD 4.06Å; E430-M432 PolarHBondContact O-N 3.02Å; M432-R434 VanDerWaalsContact CE-CZ 3.44Å; M432-R434 VanDerWaalsContact CE-NH1 3.32Å; M432-R434 PolarHBondContact O-N 3.22Å; M432-D462 CarbonylContact O-C 3.57Å; M432-G463 WeakPolarHBondContact O-CA 3.18Å
433	G	71.4	Confident	82.6	Confident	73 Å²	73	46.5 Å²	46.5	75%	0.753	30%	0.303	S	S	*	.	S	Bend	trans	-79.6	10.7	176.4	0	0	0	0	0	114.5	I431	I431-G433 PolarHBondContact O-N 2.85Å
434	R	71.1	Confident	82.5	Confident	37 Å²	37	47 Å²	47	14%	0.14	31%	0.306	C	S	.	.			trans	-147	152.1	-168.9	74.1	175.6	-165.3	-93.5	-5.1	112.9	C375 N393 K395 M432 G463	C375-R434 VanDerWaalsContact SG-CD 3.58Å; N393-R434 PolarHBondContact ND2-NH1 3.21Å; N393-R434 PolarHBondContact OD1-NH1 3.01Å; K395-R434 PolarHBondContact O-NH1 3.27Å; K395-R434 PolarHBondContact O-NH2 3.5Å; M432-R434 VanDerWaalsContact CE-CZ 3.44Å; M432-R434 VanDerWaalsContact CE-NH1 3.32Å; M432-R434 PolarHBondContact O-N 3.22Å; R434-G463 WeakPolarHBondContact O-CA 3.46Å; R434-G463 PolarHBondContact O-N 3.18Å; R434-G463 VanDerWaalsContact O-N 3.14Å
435	G	70.6	Confident	82.4	Confident	15 Å²	15	47.6 Å²	47.6	16%	0.155	31%	0.31	C	S	.	.			trans	-87.9	-164.3	165.7	0	0	0	0	0	114.3	D459 K461 Y465	G435-D459 WeakPolarHBondContact CA-OD1 2.88Å; G435-D459 VanDerWaalsContact CA-OD2 3.32Å; G435-D459 WeakPolarHBondContact CA-OD2 2.85Å; G435-K461 PolarHBondContact N-O 3.3Å; G435-Y465 VanDerWaalsContact C-OH 3.29Å; G435-Y465 WeakPolarHBondContact CA-OH 3.4Å
436	G	72.5	Confident	82.3	Confident	66 Å²	66	51.2 Å²	51.2	68%	0.68	33%	0.326	S	S	*	.			trans	97.5	1.7	171.1	0	0	0	0	0	116.5	D459 Y465	G436-D459 PolarHBondContact N-OD2 2.95Å; G436-Y465 PolarHBondContact N-OH 3.07Å
437	D	81.2	Confident	82	Confident	28 Å²	28	57.1 Å²	57.1	15%	0.15	36%	0.357	C	S	.	.			trans	-75.4	146.5	173.7	-59.6	-71.1	0	0	0	111.3	V397 I439 Y465	V397-D437 VanDerWaalsContact CG2-CG 3.49Å; V397-D437 WeakPolarHBondContact CG2-OD2 3.49Å; D437-I439 HydrophobicContact CB-CD1 4.13Å; D437-I439 PolarHBondContact O-N 3.12Å; D437-Y465 WeakPolarHBondContact CB-OH 3.4Å; D437-Y465 PolarHBondContact N-OH 2.49Å; D437-Y465 PolarHBondContact OD2-OH 3.47Å
438	N	81.5	Confident	81.8	Confident	107 Å²	107	58.5 Å²	58.5	57%	0.572	35%	0.35	S	S	*	.			trans	-75.7	98.8	176.9	-171.9	7.9	0	0	0	110.4
439	I	89.8	Confident	81.2	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.087	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.3	176.5	-48.7	-54.2	0	0	0	109.4	L422 D437 V441 V457 Y465 I467 V481 V483	L422-I439 HydrophobicContact CD2-CD1 3.73Å; L422-I439 HydrophobicContact CD2-CG1 4.2Å; L422-I439 HydrophobicContact CD2-CG2 3.76Å; D437-I439 HydrophobicContact CB-CD1 4.13Å; D437-I439 PolarHBondContact O-N 3.12Å; I439-V441 HydrophobicContact CG2-CG2 4Å; I439-V457 HydrophobicContact CB-CG1 4.11Å; I439-V457 HydrophobicContact CG2-CG1 4.27Å; I439-Y465 HydrophobicContact CD1-CD1 4.48Å; I439-Y465 HydrophobicContact CD1-CD2 4.15Å; I439-Y465 HydrophobicContact CD1-CE1 4.34Å; I439-Y465 HydrophobicContact CD1-CE2 4.05Å; I439-Y465 HydrophobicContact CD1-CG 4.39Å; I439-Y465 HydrophobicContact CG1-CD1 3.5Å; I439-Y465 HydrophobicContact CG1-CD2 3.96Å; I439-Y465 HydrophobicContact CG1-CE1 3.6Å; I439-Y465 HydrophobicContact CG1-CE2 4.08Å; I439-Y465 HydrophobicContact CG1-CG 3.69Å; I439-I467 HydrophobicContact CG2-CD1 4.41Å; I439-V481 HydrophobicContact CG2-CG1 4.43Å; I439-V483 HydrophobicContact CD1-CB 4.44Å; I439-V483 HydrophobicContact CD1-CG1 4.43Å; I439-V483 HydrophobicContact CD1-CG2 3.66Å
440	Q	90.3	Very high	80.6	Confident	88 Å²	88	69.4 Å²	69.4	41%	0.411	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.1	174.5	-67.7	-179	2	0	0	109.5	C482	Q440-C482 HydrophobicContact CB-CB 4.33Å; Q440-C482 PolarHBondContact N-O 2.81Å; Q440-C482 PolarHBondContact O-N 2.99Å
441	V	92.9	Very high	80.3	Confident	21 Å²	21	66 Å²	66	13%	0.127	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.9	174.8	-174.1	0	0	0	0	109	I439 V443 P455 V457 I467 V479 W480 V481	I439-V441 HydrophobicContact CG2-CG2 4Å; V441-V443 HydrophobicContact CG1-CG2 4.41Å; V441-P455 HydrophobicContact CB-CB 4.12Å; V441-P455 HydrophobicContact CB-CG 3.74Å; V441-P455 HydrophobicContact CG1-CB 3.88Å; V441-P455 HydrophobicContact CG1-CG 3.82Å; V441-P455 WeakPolarHBondContact O-CG 3.19Å; V441-V457 HydrophobicContact CB-CG2 4.24Å; V441-V457 HydrophobicContact CG2-CG2 3.72Å; V441-I467 HydrophobicContact CB-CG2 4.42Å; V441-I467 HydrophobicContact CG1-CG2 3.95Å; V441-I467 HydrophobicContact CG2-CD1 3.86Å; V441-I467 HydrophobicContact CG2-CG1 4.14Å; V441-I467 HydrophobicContact CG2-CG2 4Å; V441-V479 HydrophobicContact CG1-CG1 4.36Å; V441-W480 CarbonylContact C-O 3.59Å; V441-W480 VanDerWaalsContact CA-O 3.25Å; V441-W480 WeakPolarHBondContact CA-O 3.47Å; V441-V481 HydrophobicContact CG1-CG2 4.43Å; V441-V481 HydrophobicContact CG2-CG1 4.4Å; V441-V481 HydrophobicContact CG2-CG2 4.49Å
442	A	91.7	Very high	80.3	Confident	32 Å²	32	65.5 Å²	65.5	26%	0.264	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.1	172.3	0	0	0	0	0	110	L444 V479 W480	A442-L444 HydrophobicContact CB-CG 4.5Å; A442-V479 CarbonylContact O-C 3.55Å; A442-V479 WeakPolarHBondContact O-CA 3.34Å; A442-W480 HydrophobicContact CB-CB 4.24Å; A442-W480 HydrophobicContact CB-CE3 4.39Å; A442-W480 PolarHBondContact N-O 3.3Å; A442-W480 PolarHBondContact O-N 2.99Å
443	V	91.6	Very high	80.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	105.9	178.2	-178.6	0	0	0	0	108.1	V441 V453 P455 Y469 Y477 V479	V441-V443 HydrophobicContact CG1-CG2 4.41Å; V443-V453 HydrophobicContact CB-CB 4.02Å; V443-V453 HydrophobicContact CG1-CB 3.97Å; V443-V453 HydrophobicContact CG1-CG2 4.43Å; V443-V453 PolarHBondContact O-N 3.34Å; V443-P455 HydrophobicContact CG2-CB 4.38Å; V443-Y469 HydrophobicContact CG1-CD2 3.96Å; V443-Y469 HydrophobicContact CG1-CE2 4.16Å; V443-Y469 HydrophobicContact CG2-CD1 4.22Å; V443-Y469 HydrophobicContact CG2-CD2 4.24Å; V443-Y469 HydrophobicContact CG2-CG 3.97Å; V443-Y477 HydrophobicContact CG1-CD1 3.88Å; V443-Y477 HydrophobicContact CG1-CG 4.43Å; V443-V479 HydrophobicContact CG1-CG2 4.25Å; V443-V479 HydrophobicContact CG2-CG1 4.23Å; V443-V479 HydrophobicContact CG2-CG2 4.22Å
444	L	90.3	Very high	81.4	Confident	32 Å²	32	73.5 Å²	73.5	17%	0.168	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.7	-168.8	-62.4	172.3	0	0	0	110.9	A442 P452 Y477 T478 W480	A442-L444 HydrophobicContact CB-CG 4.5Å; L444-P452 HydrophobicContact CD2-CB 3.92Å; L444-Y477 CarbonylContact O-C 3.58Å; L444-Y477 WeakPolarHBondContact O-CA 3.21Å; L444-T478 PolarHBondContact N-O 3.37Å; L444-T478 PolarHBondContact O-N 3.44Å; L444-W480 HydrophobicContact CD1-CD2 4.24Å; L444-W480 HydrophobicContact CD1-CE3 4.34Å; L444-W480 HydrophobicContact CD1-CH2 3.98Å; L444-W480 HydrophobicContact CD1-CZ2 3.84Å; L444-W480 HydrophobicContact CD1-CZ3 4.22Å
445	P	88.8	Confident	82.4	Confident	12 Å²	12	73.1 Å²	73.1	8%	0.078	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135	170.3	-3.9	14.3	0	0	0	110.2	D447 K448 S451 Y477	P445-D447 VanDerWaalsContact C-N 3.31Å; P445-D447 PolarHBondContact O-N 2.8Å; P445-K448 HydrophobicContact CB-CB 4.35Å; P445-K448 WeakPolarHBondContact CG-O 3.38Å; P445-S451 WeakPolarHBondContact CD-O 3.06Å; P445-S451 VanDerWaalsContact CG-O 3.24Å; P445-S451 WeakPolarHBondContact CG-O 3.43Å; P445-Y477 HydrophobicContact CB-CD1 4.04Å; P445-Y477 HydrophobicContact CB-CE1 3.74Å; P445-Y477 HydrophobicContact CG-CD1 4.03Å; P445-Y477 HydrophobicContact CG-CE1 3.54Å
446	K	83.6	Confident	83.5	Confident	129 Å²	129	77.2 Å²	77.2	56%	0.561	40%	0.404	S	S	*	.	S	Bend	trans	-63.6	-37.5	176.4	-84.1	-166.4	174.5	-176.2	0	112.6	V476	K446-V476 HydrophobicContact CD-CB 4.31Å; K446-V476 HydrophobicContact CD-CG1 3.83Å; K446-V476 HydrophobicContact CG-CG1 4.28Å; K446-V476 PolarHBondContact N-O 3.48Å
447	D	77.6	Confident	84.5	Confident	139 Å²	139	76.7 Å²	76.7	74%	0.743	39%	0.388	S	S	*	.	S	Bend	trans	-89.6	-14.6	-172	-53.5	-39.1	0	0	0	113.2	P445	P445-D447 VanDerWaalsContact C-N 3.31Å; P445-D447 PolarHBondContact O-N 2.8Å
448	K	72.8	Confident	85	Confident	103 Å²	103	80 Å²	80	45%	0.448	40%	0.402	S	S	.	.			trans	-142.2	80.5	-175.9	-67.1	-177.7	-177.8	173.1	0	111.2	P445 D450 S451 E473	P445-K448 HydrophobicContact CB-CB 4.35Å; P445-K448 WeakPolarHBondContact CG-O 3.38Å; K448-D450 PolarHBondContact O-N 3.19Å; K448-D450 VanDerWaalsContact O-N 3.15Å; K448-S451 WeakPolarHBondContact CB-OG 3.41Å; K448-S451 PolarHBondContact O-N 2.91Å; K448-S451 PolarHBondContact O-OG 3.07Å; K448-S451 VanDerWaalsContact O-OG 3.1Å; K448-E473 IonicContact NZ-OE1 3.67Å; K448-E473 PolarHBondContact NZ-OE1 3.5Å; K448-E473 IonicContact NZ-OE2 3.11Å; K448-E473 PolarHBondContact NZ-OE2 3.36Å
449	K	63.8	Low	85.4	Confident	169 Å²	169	77.4 Å²	77.4	74%	0.735	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.9	-174.8	-145.2	173.7	-176.4	-177.9	0	113.6	S451	K449-S451 VanDerWaalsContact C-N 3.31Å; K449-S451 PolarHBondContact O-N 3.3Å
450	D	65.6	Low	85.3	Confident	163 Å²	163	79.7 Å²	79.7	87%	0.872	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	7.4	-178.2	-60.7	-34.8	0	0	0	114.9	K448 P452	K448-D450 PolarHBondContact O-N 3.19Å; K448-D450 VanDerWaalsContact O-N 3.15Å; D450-P452 VanDerWaalsContact C-CD 3.42Å; D450-P452 WeakPolarHBondContact O-CD 3.3Å
451	S	74.3	Confident	84.9	Confident	53 Å²	53	83.1 Å²	83.1	37%	0.371	41%	0.414	S	S	.	.			trans	-125.6	62.1	-180	59.8	0	0	0	0	113.4	P445 K448 K449 V453	P445-S451 WeakPolarHBondContact CD-O 3.06Å; P445-S451 VanDerWaalsContact CG-O 3.24Å; P445-S451 WeakPolarHBondContact CG-O 3.43Å; K448-S451 WeakPolarHBondContact CB-OG 3.41Å; K448-S451 PolarHBondContact O-N 2.91Å; K448-S451 PolarHBondContact O-OG 3.07Å; K448-S451 VanDerWaalsContact O-OG 3.1Å; K449-S451 VanDerWaalsContact C-N 3.31Å; K449-S451 PolarHBondContact O-N 3.3Å; S451-V453 PolarHBondContact O-N 3.12Å
452	P	82.1	Confident	84.3	Confident	86 Å²	86	86 Å²	86	56%	0.558	43%	0.429	S	S	*	.			trans	-60.9	138.2	178.3	26.1	-33.8	0	0	0	111.2	L444 D450	L444-P452 HydrophobicContact CD2-CB 3.92Å; D450-P452 VanDerWaalsContact C-CD 3.42Å; D450-P452 WeakPolarHBondContact O-CD 3.3Å
453	V	88.3	Confident	83.9	Confident	18 Å²	18	84.5 Å²	84.5	11%	0.109	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-84.1	123.5	170.4	177.2	0	0	0	0	107.2	V443 S451 P455 Y469 T470 Y477	V443-V453 HydrophobicContact CB-CB 4.02Å; V443-V453 HydrophobicContact CG1-CB 3.97Å; V443-V453 HydrophobicContact CG1-CG2 4.43Å; V443-V453 PolarHBondContact O-N 3.34Å; S451-V453 PolarHBondContact O-N 3.12Å; V453-P455 WeakPolarHBondContact O-CD 3.32Å; V453-Y469 HydrophobicContact CG1-CD2 4.46Å; V453-T470 WeakPolarHBondContact CG1-O 3.35Å; V453-Y477 HydrophobicContact CG2-CD1 4.27Å; V453-Y477 HydrophobicContact CG2-CE1 3.62Å
454	R	89.4	Confident	83.9	Confident	228 Å²	228	85.6 Å²	85.6	86%	0.86	42%	0.423	S	S	*	.			trans	-70.6	114.9	177.3	-173.6	175.2	-179.8	169.5	0.3	109.6
455	P	92.4	Very high	84	Confident	30 Å²	30	84.2 Å²	84.2	20%	0.195	42%	0.416	C	S	.	.			trans	-81.9	157.6	171.6	31.9	-26.1	0	0	0	110.6	V441 V443 V453 S468	V441-P455 HydrophobicContact CB-CB 4.12Å; V441-P455 HydrophobicContact CB-CG 3.74Å; V441-P455 HydrophobicContact CG1-CB 3.88Å; V441-P455 HydrophobicContact CG1-CG 3.82Å; V441-P455 WeakPolarHBondContact O-CG 3.19Å; V443-P455 HydrophobicContact CG2-CB 4.38Å; V453-P455 WeakPolarHBondContact O-CD 3.32Å; P455-S468 CarbonylContact C-O 3.51Å; P455-S468 WeakPolarHBondContact CA-O 3.49Å
456	M	92.7	Very high	84.2	Confident	100 Å²	100	87.2 Å²	87.2	49%	0.493	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.8	167.5	-176.7	178.1	77.1	0	0	107.9	I467 S468	M456-I467 CarbonylContact O-C 3.54Å; M456-I467 WeakPolarHBondContact O-CA 3.16Å; M456-S468 WeakPolarHBondContact CE-OG 3.34Å; M456-S468 PolarHBondContact N-O 3.28Å; M456-S468 PolarHBondContact O-N 3.46Å
457	V	93.8	Very high	84.7	Confident	56 Å²	56	81.1 Å²	81.1	34%	0.339	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.2	173.5	-174.1	0	0	0	0	107.4	I439 V441 Y465 I467	I439-V457 HydrophobicContact CB-CG1 4.11Å; I439-V457 HydrophobicContact CG2-CG1 4.27Å; V441-V457 HydrophobicContact CB-CG2 4.24Å; V441-V457 HydrophobicContact CG2-CG2 3.72Å; V457-Y465 HydrophobicContact CG1-CD1 4.24Å; V457-I467 HydrophobicContact CG1-CG1 4.18Å; V457-I467 HydrophobicContact CG2-CG1 4.29Å
458	Q	92.6	Very high	85.5	Confident	98 Å²	98	74.9 Å²	74.9	46%	0.458	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.5	176	174.8	176.6	-16.6	0	0	108.6	Y465 Y466	Q458-Y465 CarbonylContact O-C 3.48Å; Q458-Y465 WeakPolarHBondContact O-CA 3.46Å; Q458-Y466 PolarHBondContact N-O 3.34Å; Q458-Y466 PolarHBondContact O-N 3.05Å
459	D	89.8	Confident	86.4	Confident	52 Å²	52	70.2 Å²	70.2	28%	0.278	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.3	175.4	-179.7	6.1	0	0	0	110.1	G435 G436 K461 Y465	G435-D459 WeakPolarHBondContact CA-OD1 2.88Å; G435-D459 VanDerWaalsContact CA-OD2 3.32Å; G435-D459 WeakPolarHBondContact CA-OD2 2.85Å; G436-D459 PolarHBondContact N-OD2 2.95Å; D459-K461 WeakPolarHBondContact OD1-CA 3.32Å; D459-K461 PolarHBondContact OD1-N 3Å; D459-Y465 HydrophobicContact CB-CD1 3.87Å; D459-Y465 HydrophobicContact CB-CE1 3.79Å
460	N	88.1	Confident	87.7	Confident	65 Å²	65	65 Å²	65	35%	0.348	33%	0.329	S	S	.	.			trans	-83.8	-1.8	178	-64.3	-27.8	0	0	0	112.7	D462 T464	N460-D462 VanDerWaalsContact CB-OD1 3.3Å; N460-D462 WeakPolarHBondContact CB-OD1 3.38Å; N460-D462 PolarHBondContact O-N 3.33Å; N460-T464 WeakPolarHBondContact CB-O 3.27Å; N460-T464 WeakPolarHBondContact CB-OG1 3.41Å; N460-T464 PolarHBondContact N-O 3.36Å; N460-T464 PolarHBondContact ND2-OG1 2.85Å
461	K	80.5	Confident	88.9	Confident	160 Å²	160	57.2 Å²	57.2	70%	0.696	29%	0.287	S	S	*	.	S	Bend	trans	63.8	12.7	178.1	-54.6	-179.4	-179.5	178.7	0	115.1	G435 D459	G435-K461 PolarHBondContact N-O 3.3Å; D459-K461 WeakPolarHBondContact OD1-CA 3.32Å; D459-K461 PolarHBondContact OD1-N 3Å
462	D	81.5	Confident	89.5	Confident	81 Å²	81	62.5 Å²	62.5	43%	0.433	30%	0.304	S	S	.	.	S	Bend	trans	-121.2	13.2	-176.9	68.3	-8.6	0	0	0	112.7	M432 N460 T464	M432-D462 CarbonylContact O-C 3.57Å; N460-D462 VanDerWaalsContact CB-OD1 3.3Å; N460-D462 WeakPolarHBondContact CB-OD1 3.38Å; N460-D462 PolarHBondContact O-N 3.33Å; D462-T464 WeakPolarHBondContact OD1-CB 3.43Å; D462-T464 PolarHBondContact OD1-N 2.96Å; D462-T464 PolarHBondContact OD1-OG1 3.14Å
463	G	82.3	Confident	89.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	92.4	-1.8	-173.5	0	0	0	0	0	115.2	C424 M432 R434	C424-G463 WeakPolarHBondContact CB-O 3.47Å; C424-G463 PolarHBondContact N-O 3Å; M432-G463 WeakPolarHBondContact O-CA 3.18Å; R434-G463 WeakPolarHBondContact O-CA 3.46Å; R434-G463 PolarHBondContact O-N 3.18Å; R434-G463 VanDerWaalsContact O-N 3.14Å
464	T	91.3	Very high	89.8	Confident	23 Å²	23	64.3 Å²	64.3	14%	0.141	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.3	176.9	74.3	0	0	0	0	111.9	L422 L423 N460 D462	L422-T464 CarbonylContact O-C 3.41Å; L422-T464 VanDerWaalsContact O-CA 3.29Å; L422-T464 WeakPolarHBondContact O-CA 3.41Å; L423-T464 HydrophobicContact CG-CG2 4.24Å; N460-T464 WeakPolarHBondContact CB-O 3.27Å; N460-T464 WeakPolarHBondContact CB-OG1 3.41Å; N460-T464 PolarHBondContact N-O 3.36Å; N460-T464 PolarHBondContact ND2-OG1 2.85Å; D462-T464 WeakPolarHBondContact OD1-CB 3.43Å; D462-T464 PolarHBondContact OD1-N 2.96Å; D462-T464 PolarHBondContact OD1-OG1 3.14Å
465	Y	92.8	Very high	89.7	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.2	177.8	-59.8	-100.6	0	0	0	109.5	T421 L422 C424 G435 G436 D437 I439 V457 Q458 D459	T421-Y465 CarbonylContact C-O 3.53Å; T421-Y465 WeakPolarHBondContact CA-O 3.2Å; L422-Y465 HydrophobicContact CD2-CD2 4.38Å; L422-Y465 PolarHBondContact N-O 3.31Å; L422-Y465 PolarHBondContact O-N 2.88Å; C424-Y465 HydrophobicContact CB-CE2 4.33Å; C424-Y465 WeakPolarHBondContact SG-CE2 3.48Å; G435-Y465 VanDerWaalsContact C-OH 3.29Å; G435-Y465 WeakPolarHBondContact CA-OH 3.4Å; G436-Y465 PolarHBondContact N-OH 3.07Å; D437-Y465 WeakPolarHBondContact CB-OH 3.4Å; D437-Y465 PolarHBondContact N-OH 2.49Å; D437-Y465 PolarHBondContact OD2-OH 3.47Å; I439-Y465 HydrophobicContact CD1-CD1 4.48Å; I439-Y465 HydrophobicContact CD1-CD2 4.15Å; I439-Y465 HydrophobicContact CD1-CE1 4.34Å; I439-Y465 HydrophobicContact CD1-CE2 4.05Å; I439-Y465 HydrophobicContact CD1-CG 4.39Å; I439-Y465 HydrophobicContact CG1-CD1 3.5Å; I439-Y465 HydrophobicContact CG1-CD2 3.96Å; I439-Y465 HydrophobicContact CG1-CE1 3.6Å; I439-Y465 HydrophobicContact CG1-CE2 4.08Å; I439-Y465 HydrophobicContact CG1-CG 3.69Å; V457-Y465 HydrophobicContact CG1-CD1 4.24Å; Q458-Y465 CarbonylContact O-C 3.48Å; Q458-Y465 WeakPolarHBondContact O-CA 3.46Å; D459-Y465 HydrophobicContact CB-CD1 3.87Å; D459-Y465 HydrophobicContact CB-CE1 3.79Å
466	Y	93.1	Very high	89.6	Confident	75 Å²	75	55.6 Å²	55.6	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.2	174.3	-178.5	-102.3	0	0	0	109.9	S419 Q458	S419-Y466 VanDerWaalsContact CB-CZ 3.4Å; S419-Y466 WeakPolarHBondContact CB-OH 3.33Å; S419-Y466 PolarHBondContact OG-OH 3.22Å; Q458-Y466 PolarHBondContact N-O 3.34Å; Q458-Y466 PolarHBondContact O-N 3.05Å
467	I	94.8	Very high	89.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.3	-176.2	-61.7	158.3	0	0	0	108.3	S419 F420 L422 I439 V441 M456 V457 V481	S419-I467 CarbonylContact C-O 3.58Å; S419-I467 WeakPolarHBondContact CA-O 3.35Å; S419-I467 WeakPolarHBondContact CB-O 3.37Å; F420-I467 HydrophobicContact CD2-CB 4.16Å; F420-I467 HydrophobicContact CD2-CD1 4.12Å; F420-I467 HydrophobicContact CE1-CB 4.34Å; F420-I467 HydrophobicContact CE1-CG2 3.85Å; F420-I467 HydrophobicContact CE2-CB 3.8Å; F420-I467 HydrophobicContact CE2-CD1 3.44Å; F420-I467 VanDerWaalsContact CE2-CD1 3.44Å; F420-I467 HydrophobicContact CE2-CG1 4.22Å; F420-I467 HydrophobicContact CE2-CG2 3.91Å; F420-I467 HydrophobicContact CZ-CB 3.91Å; F420-I467 HydrophobicContact CZ-CD1 4.08Å; F420-I467 HydrophobicContact CZ-CG2 3.48Å; F420-I467 VanDerWaalsContact CZ-CG2 3.48Å; F420-I467 PolarHBondContact N-O 3.18Å; F420-I467 WeakPolarHBondContact O-CA 3.47Å; F420-I467 PolarHBondContact O-N 2.77Å; F420-I467 VanDerWaalsContact O-O 3.09Å; L422-I467 HydrophobicContact CB-CD1 3.87Å; I439-I467 HydrophobicContact CG2-CD1 4.41Å; V441-I467 HydrophobicContact CB-CG2 4.42Å; V441-I467 HydrophobicContact CG1-CG2 3.95Å; V441-I467 HydrophobicContact CG2-CD1 3.86Å; V441-I467 HydrophobicContact CG2-CG1 4.14Å; V441-I467 HydrophobicContact CG2-CG2 4Å; M456-I467 CarbonylContact O-C 3.54Å; M456-I467 WeakPolarHBondContact O-CA 3.16Å; V457-I467 HydrophobicContact CG1-CG1 4.18Å; V457-I467 HydrophobicContact CG2-CG1 4.29Å; I467-V481 HydrophobicContact CD1-CG1 4.35Å
468	S	92.9	Very high	89.4	Confident	9 Å²	9	50 Å²	50	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.4	177.2	63.7	0	0	0	0	112.3	A418 P455 M456	A418-S468 VanDerWaalsContact O-CA 3.27Å; A418-S468 WeakPolarHBondContact O-CA 3.32Å; P455-S468 CarbonylContact C-O 3.51Å; P455-S468 WeakPolarHBondContact CA-O 3.49Å; M456-S468 WeakPolarHBondContact CE-OG 3.34Å; M456-S468 PolarHBondContact N-O 3.28Å; M456-S468 PolarHBondContact O-N 3.46Å
469	Y	92.5	Very high	89.4	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	153.7	177.9	62.8	-82.4	0	0	0	110.3	A418 F420 V443 V453 V495	A418-Y469 HydrophobicContact CB-CE1 4.07Å; A418-Y469 HydrophobicContact CB-CE2 4.18Å; A418-Y469 PolarHBondContact N-O 3.29Å; A418-Y469 PolarHBondContact O-N 3.03Å; F420-Y469 HydrophobicContact CD1-CE1 4.21Å; F420-Y469 HydrophobicContact CE1-CD1 4.29Å; F420-Y469 AromaticContact CE1-CE1 3.83Å; F420-Y469 HydrophobicContact CE1-CE1 3.83Å; V443-Y469 HydrophobicContact CG1-CD2 3.96Å; V443-Y469 HydrophobicContact CG1-CE2 4.16Å; V443-Y469 HydrophobicContact CG2-CD1 4.22Å; V443-Y469 HydrophobicContact CG2-CD2 4.24Å; V443-Y469 HydrophobicContact CG2-CG 3.97Å; V453-Y469 HydrophobicContact CG1-CD2 4.46Å; Y469-V495 WeakPolarHBondContact OH-CG1 3.49Å
470	T	91.8	Very high	89.6	Confident	59 Å²	59	47.8 Å²	47.8	36%	0.362	24%	0.238	S	C	.	.			trans	-123	103.1	179.9	-57.1	0	0	0	0	109.9	T417 V453	T417-T470 PolarHBondContact OG1-OG1 3.48Å; V453-T470 WeakPolarHBondContact CG1-O 3.35Å
471	P	90.3	Very high	89.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.			trans	-72.4	132.5	179.9	30.3	-33.7	0	0	0	110.8	A412 R413 K415 Q416 Y477 V497	A412-P471 HydrophobicContact CB-CG 4.33Å; R413-P471 WeakPolarHBondContact O-CG 3.38Å; K415-P471 PolarHBondContact N-O 3.29Å; Q416-P471 WeakPolarHBondContact O-CD 3.45Å; P471-Y477 HydrophobicContact CB-CE2 4.36Å; P471-V497 HydrophobicContact CB-CB 4.36Å; P471-V497 HydrophobicContact CB-CG1 3.82Å; P471-V497 HydrophobicContact CB-CG2 3.66Å; P471-V497 HydrophobicContact CG-CB 4.33Å; P471-V497 HydrophobicContact CG-CG1 3.57Å; P471-V497 HydrophobicContact CG-CG2 3.71Å
472	K	87.5	Confident	90.2	Very high	165 Å²	165	37.8 Å²	37.8	72%	0.717	19%	0.193	S	C	*	.	S	Bend	trans	-82.9	-30.5	-176.5	-66.7	-178.6	-179.4	176.9	0	113.5	E414	E414-K472 WeakPolarHBondContact CG-O 3.33Å
473	E	87.4	Confident	90.4	Very high	89 Å²	89	33.9 Å²	33.9	42%	0.416	17%	0.172	S	C	.	.	S	Bend	trans	-125.3	150.8	-175.9	-65.8	-174.3	178	0	0	110.3	K448 Y477 V497	K448-E473 IonicContact NZ-OE1 3.67Å; K448-E473 PolarHBondContact NZ-OE1 3.5Å; K448-E473 IonicContact NZ-OE2 3.11Å; K448-E473 PolarHBondContact NZ-OE2 3.36Å; E473-Y477 PolarHBondContact O-OH 3.36Å; E473-Y477 VanDerWaalsContact O-OH 3.06Å; E473-V497 WeakPolarHBondContact O-CG1 3.47Å
474	P	87.6	Confident	89.9	Confident	53 Å²	53	37.5 Å²	37.5	34%	0.344	19%	0.188	S	C	.	.			trans	-71.6	145.1	170	32.8	-36.2	0	0	0	110.6	V497 R499	P474-V497 WeakPolarHBondContact CA-O 3.49Å; P474-R499 HydrophobicContact CB-CG 3.79Å; P474-R499 HydrophobicContact CG-CG 3.86Å
475	G	88.6	Confident	89.4	Confident	22 Å²	22	44.2 Å²	44.2	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.9	-174.9	-178.3	0	0	0	0	0	113.1	V497	G475-V497 PolarHBondContact N-O 3.48Å; G475-V497 WeakPolarHBondContact O-CB 3.2Å; G475-V497 PolarHBondContact O-N 3.45Å
476	V	90.1	Very high	89	Confident	52 Å²	52	49.3 Å²	49.3	32%	0.315	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.1	174.6	-176	0	0	0	0	109.2	K446	K446-V476 HydrophobicContact CD-CB 4.31Å; K446-V476 HydrophobicContact CD-CG1 3.83Å; K446-V476 HydrophobicContact CG-CG1 4.28Å; K446-V476 PolarHBondContact N-O 3.48Å
477	Y	91.1	Very high	88.8	Confident	10 Å²	10	49.4 Å²	49.4	4%	0.039	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.8	178.8	-70.4	-105.5	0	0	0	109.8	V443 L444 P445 V453 P471 E473 T494 V495 V497	V443-Y477 HydrophobicContact CG1-CD1 3.88Å; V443-Y477 HydrophobicContact CG1-CG 4.43Å; L444-Y477 CarbonylContact O-C 3.58Å; L444-Y477 WeakPolarHBondContact O-CA 3.21Å; P445-Y477 HydrophobicContact CB-CD1 4.04Å; P445-Y477 HydrophobicContact CB-CE1 3.74Å; P445-Y477 HydrophobicContact CG-CD1 4.03Å; P445-Y477 HydrophobicContact CG-CE1 3.54Å; V453-Y477 HydrophobicContact CG2-CD1 4.27Å; V453-Y477 HydrophobicContact CG2-CE1 3.62Å; P471-Y477 HydrophobicContact CB-CE2 4.36Å; E473-Y477 PolarHBondContact O-OH 3.36Å; E473-Y477 VanDerWaalsContact O-OH 3.06Å; Y477-T494 CarbonylContact O-C 3.43Å; Y477-T494 VanDerWaalsContact O-CA 3.32Å; Y477-T494 WeakPolarHBondContact O-CA 3.47Å; Y477-V495 PolarHBondContact N-O 3.29Å; Y477-V495 PolarHBondContact O-N 3.44Å; Y477-V497 HydrophobicContact CD2-CB 4.02Å; Y477-V497 HydrophobicContact CD2-CG2 3.29Å; Y477-V497 HydrophobicContact CE2-CB 3.89Å; Y477-V497 HydrophobicContact CE2-CG2 3.49Å; Y477-V497 VanDerWaalsContact CE2-CG2 3.49Å; Y477-V497 HydrophobicContact CG-CG2 4.18Å
478	T	91.7	Very high	88.7	Confident	28 Å²	28	49.6 Å²	49.6	17%	0.172	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.5	170	-48.9	0	0	0	0	107.7	L444 P492	L444-T478 PolarHBondContact N-O 3.37Å; L444-T478 PolarHBondContact O-N 3.44Å; T478-P492 HydrophobicContact CG2-CB 4.2Å
479	V	92.4	Very high	88.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.4	178.9	-176.7	0	0	0	0	108.5	F420 V441 A442 V443 V481 P492 F493 V495	F420-V479 HydrophobicContact CE1-CG1 4.34Å; F420-V479 HydrophobicContact CZ-CG1 4.15Å; V441-V479 HydrophobicContact CG1-CG1 4.36Å; A442-V479 CarbonylContact O-C 3.55Å; A442-V479 WeakPolarHBondContact O-CA 3.34Å; V443-V479 HydrophobicContact CG1-CG2 4.25Å; V443-V479 HydrophobicContact CG2-CG1 4.23Å; V443-V479 HydrophobicContact CG2-CG2 4.22Å; V479-V481 HydrophobicContact CG1-CG2 4.17Å; V479-P492 WeakPolarHBondContact O-CA 3.31Å; V479-F493 HydrophobicContact CB-CD1 4.41Å; V479-F493 HydrophobicContact CB-CD2 4.16Å; V479-F493 HydrophobicContact CB-CE1 3.94Å; V479-F493 HydrophobicContact CB-CE2 3.67Å; V479-F493 HydrophobicContact CB-CZ 3.56Å; V479-F493 HydrophobicContact CG1-CE1 3.84Å; V479-F493 HydrophobicContact CG1-CE2 4.09Å; V479-F493 HydrophobicContact CG1-CZ 3.49Å; V479-F493 VanDerWaalsContact CG1-CZ 3.49Å; V479-F493 HydrophobicContact CG2-CE2 3.9Å; V479-F493 HydrophobicContact CG2-CZ 4.17Å; V479-F493 PolarHBondContact N-O 2.63Å; V479-F493 PolarHBondContact O-N 3.02Å; V479-F493 VanDerWaalsContact O-N 3.11Å; V479-V495 HydrophobicContact CG2-CB 4.43Å; V479-V495 HydrophobicContact CG2-CG2 3.62Å
480	W	92.5	Very high	88.1	Confident	105 Å²	105	57.1 Å²	57.1	40%	0.398	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.8	174.6	-60.6	-3.2	0	0	0	107.7	V441 A442 L444 H487 P492	V441-W480 CarbonylContact C-O 3.59Å; V441-W480 VanDerWaalsContact CA-O 3.25Å; V441-W480 WeakPolarHBondContact CA-O 3.47Å; A442-W480 HydrophobicContact CB-CB 4.24Å; A442-W480 HydrophobicContact CB-CE3 4.39Å; A442-W480 PolarHBondContact N-O 3.3Å; A442-W480 PolarHBondContact O-N 2.99Å; L444-W480 HydrophobicContact CD1-CD2 4.24Å; L444-W480 HydrophobicContact CD1-CE3 4.34Å; L444-W480 HydrophobicContact CD1-CH2 3.98Å; L444-W480 HydrophobicContact CD1-CZ2 3.84Å; L444-W480 HydrophobicContact CD1-CZ3 4.22Å; W480-H487 AromaticContact CG-CE1 3.98Å; W480-P492 VanDerWaalsContact CD1-CB 3.49Å; W480-P492 HydrophobicContact CG-CB 4.46Å
481	V	93.6	Very high	88	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.8	170.1	-174.7	0	0	0	0	106.9	L404 F420 L422 I439 V441 I467 V479 V488 S491 F493	L404-V481 HydrophobicContact CD1-CG2 4.38Å; L404-V481 HydrophobicContact CD2-CB 4.35Å; L404-V481 HydrophobicContact CD2-CG1 4.12Å; L404-V481 HydrophobicContact CD2-CG2 4.17Å; F420-V481 HydrophobicContact CE2-CG2 3.82Å; F420-V481 HydrophobicContact CZ-CG2 3.78Å; L422-V481 HydrophobicContact CD1-CG1 4.46Å; L422-V481 HydrophobicContact CD2-CG1 4.07Å; I439-V481 HydrophobicContact CG2-CG1 4.43Å; V441-V481 HydrophobicContact CG1-CG2 4.43Å; V441-V481 HydrophobicContact CG2-CG1 4.4Å; V441-V481 HydrophobicContact CG2-CG2 4.49Å; I467-V481 HydrophobicContact CD1-CG1 4.35Å; V479-V481 HydrophobicContact CG1-CG2 4.17Å; V481-V488 HydrophobicContact CB-CG2 3.87Å; V481-V488 HydrophobicContact CG1-CG1 4.43Å; V481-V488 HydrophobicContact CG1-CG2 3.91Å; V481-V488 PolarHBondContact O-N 3.44Å; V481-V488 VanDerWaalsContact O-N 3.15Å; V481-S491 PolarHBondContact N-OG 3Å; V481-S491 WeakPolarHBondContact O-CB 3.17Å; V481-S491 PolarHBondContact O-OG 2.84Å; V481-S491 VanDerWaalsContact O-OG 3.12Å; V481-F493 HydrophobicContact CG2-CE1 4.13Å
482	C	88.6	Confident	88	Confident	14 Å²	14	58.5 Å²	58.5	10%	0.095	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.1	179.7	-60.8	0	0	0	0	110.2	Q440 Q486 H487	Q440-C482 HydrophobicContact CB-CB 4.33Å; Q440-C482 PolarHBondContact N-O 2.81Å; Q440-C482 PolarHBondContact O-N 2.99Å; C482-Q486 CarbonylContact C-O 3.55Å; C482-Q486 WeakPolarHBondContact CA-O 3.06Å; C482-H487 VanDerWaalsContact SG-CE1 3.53Å; C482-H487 PolarHBondContact SG-ND1 2.92Å
483	V	86.4	Confident	88.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.6	167	175.4	0	0	0	0	105.8	V397 P399 L422 I439 E485 Q486 V488	V397-V483 HydrophobicContact CB-CG1 4.13Å; V397-V483 HydrophobicContact CG1-CG1 3.84Å; P399-V483 HydrophobicContact CB-CB 4.24Å; P399-V483 HydrophobicContact CG-CB 4.08Å; P399-V483 HydrophobicContact CG-CG1 4.25Å; P399-V483 WeakPolarHBondContact CG-O 3.3Å; L422-V483 HydrophobicContact CD2-CG2 3.94Å; I439-V483 HydrophobicContact CD1-CB 4.44Å; I439-V483 HydrophobicContact CD1-CG1 4.43Å; I439-V483 HydrophobicContact CD1-CG2 3.66Å; V483-E485 VanDerWaalsContact C-N 3.29Å; V483-E485 PolarHBondContact O-N 3.24Å; V483-Q486 PolarHBondContact N-O 2.87Å; V483-Q486 PolarHBondContact O-N 3.28Å; V483-Q486 VanDerWaalsContact O-N 3.07Å; V483-V488 HydrophobicContact CB-CG1 4.04Å; V483-V488 HydrophobicContact CG2-CG1 3.35Å
484	K	71.6	Confident	88.4	Confident	76 Å²	76	50.5 Å²	50.5	33%	0.33	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	45.4	-178	-58.7	175.3	177.2	177.3	0	113	E396 Q486	E396-K484 IonicContact OE1-NZ 2.71Å; E396-K484 PolarHBondContact OE1-NZ 3.47Å; K484-Q486 PolarHBondContact O-N 2.89Å
485	E	79.9	Confident	88.5	Confident	163 Å²	163	48 Å²	48	76%	0.762	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	3.5	-179.7	-51.7	-178.3	166.3	0	0	115.5	V483	V483-E485 VanDerWaalsContact C-N 3.29Å; V483-E485 PolarHBondContact O-N 3.24Å
486	Q	85.1	Confident	88.6	Confident	111 Å²	111	50.2 Å²	50.2	52%	0.519	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.7	176	-169.8	174	13.7	0	0	110.7	P399 C482 V483 K484 V488	P399-Q486 HydrophobicContact CB-CB 4.05Å; P399-Q486 HydrophobicContact CB-CG 4.14Å; P399-Q486 HydrophobicContact CG-CB 3.98Å; P399-Q486 HydrophobicContact CG-CG 4.39Å; C482-Q486 CarbonylContact C-O 3.55Å; C482-Q486 WeakPolarHBondContact CA-O 3.06Å; V483-Q486 PolarHBondContact N-O 2.87Å; V483-Q486 PolarHBondContact O-N 3.28Å; V483-Q486 VanDerWaalsContact O-N 3.07Å; K484-Q486 PolarHBondContact O-N 2.89Å; Q486-V488 PolarHBondContact O-N 3.41Å
487	H	89.2	Confident	88.5	Confident	77 Å²	77	48 Å²	48	36%	0.356	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.5	176.2	-75.6	-58.7	0	0	0	111.7	W480 C482 S491	W480-H487 AromaticContact CG-CE1 3.98Å; C482-H487 VanDerWaalsContact SG-CE1 3.53Å; C482-H487 PolarHBondContact SG-ND1 2.92Å; H487-S491 PolarHBondContact ND1-OG 3.3Å
488	V	92.1	Very high	88.3	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-74.4	165	173.1	-57.1	0	0	0	0	111.7	P399 C402 L404 L422 V481 V483 Q486 G490 S491	P399-V488 WeakPolarHBondContact O-CA 3.42Å; C402-V488 HydrophobicContact CB-CB 3.98Å; C402-V488 HydrophobicContact CB-CG1 3.92Å; L404-V488 HydrophobicContact CD1-CG2 3.99Å; L404-V488 HydrophobicContact CD2-CG2 4.2Å; L404-V488 HydrophobicContact CG-CG2 4.02Å; L422-V488 HydrophobicContact CD1-CB 4.41Å; L422-V488 HydrophobicContact CD1-CG1 4.1Å; L422-V488 HydrophobicContact CD1-CG2 4.24Å; V481-V488 HydrophobicContact CB-CG2 3.87Å; V481-V488 HydrophobicContact CG1-CG1 4.43Å; V481-V488 HydrophobicContact CG1-CG2 3.91Å; V481-V488 PolarHBondContact O-N 3.44Å; V481-V488 VanDerWaalsContact O-N 3.15Å; V483-V488 HydrophobicContact CB-CG1 4.04Å; V483-V488 HydrophobicContact CG2-CG1 3.35Å; Q486-V488 PolarHBondContact O-N 3.41Å; V488-G490 PolarHBondContact O-N 2.77Å; V488-S491 WeakPolarHBondContact O-CB 3.46Å; V488-S491 PolarHBondContact O-N 2.7Å
489	Q	88.1	Confident	87.8	Confident	115 Å²	115	57.7 Å²	57.7	54%	0.537	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	124.8	174.8	-160.8	-177	-8.7	0	0	111.1	P399 A400 C402 S491	P399-Q489 PolarHBondContact O-N 3Å; A400-Q489 PolarHBondContact O-OE1 3.37Å; C402-Q489 WeakPolarHBondContact O-CB 3.5Å; Q489-S491 VanDerWaalsContact C-N 3.35Å
490	G	84.6	Confident	87.1	Confident	56 Å²	56	62.9 Å²	62.9	58%	0.577	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-2.2	-177.1	0	0	0	0	0	115	V488	V488-G490 PolarHBondContact O-N 2.77Å
491	S	89.9	Confident	86.1	Confident	16 Å²	16	60.6 Å²	60.6	11%	0.112	30%	0.304	C	S	.	.			trans	-99.2	144.3	167.8	175.4	0	0	0	0	110.9	V481 H487 V488 Q489	V481-S491 PolarHBondContact N-OG 3Å; V481-S491 WeakPolarHBondContact O-CB 3.17Å; V481-S491 PolarHBondContact O-OG 2.84Å; V481-S491 VanDerWaalsContact O-OG 3.12Å; H487-S491 PolarHBondContact ND1-OG 3.3Å; V488-S491 WeakPolarHBondContact O-CB 3.46Å; V488-S491 PolarHBondContact O-N 2.7Å; Q489-S491 VanDerWaalsContact C-N 3.35Å
492	P	90.5	Very high	84.9	Confident	72 Å²	72	66.4 Å²	66.4	47%	0.468	33%	0.326	S	S	.	.	S	Bend	cis	-76	148.9	-6.2	32.4	-35.7	0	0	0	112.5	T478 V479 W480	T478-P492 HydrophobicContact CG2-CB 4.2Å; V479-P492 WeakPolarHBondContact O-CA 3.31Å; W480-P492 VanDerWaalsContact CD1-CB 3.49Å; W480-P492 HydrophobicContact CG-CB 4.46Å
493	F	90.9	Very high	83.9	Confident	17 Å²	17	71.3 Å²	71.3	8%	0.075	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	164	174.9	61.2	-86.3	0	0	0	112	L404 L409 F420 V479 V481 V495	L404-F493 HydrophobicContact CD1-CD1 3.98Å; L404-F493 HydrophobicContact CD1-CE1 3.57Å; L409-F493 HydrophobicContact CD2-CE1 4.14Å; L409-F493 HydrophobicContact CD2-CE2 3.98Å; L409-F493 HydrophobicContact CD2-CZ 3.68Å; L409-F493 WeakPolarHBondContact O-CD2 3.37Å; L409-F493 WeakPolarHBondContact O-CE2 3.43Å; F420-F493 HydrophobicContact CE1-CZ 4.09Å; F420-F493 HydrophobicContact CZ-CZ 4.1Å; V479-F493 HydrophobicContact CB-CD1 4.41Å; V479-F493 HydrophobicContact CB-CD2 4.16Å; V479-F493 HydrophobicContact CB-CE1 3.94Å; V479-F493 HydrophobicContact CB-CE2 3.67Å; V479-F493 HydrophobicContact CB-CZ 3.56Å; V479-F493 HydrophobicContact CG1-CE1 3.84Å; V479-F493 HydrophobicContact CG1-CE2 4.09Å; V479-F493 HydrophobicContact CG1-CZ 3.49Å; V479-F493 VanDerWaalsContact CG1-CZ 3.49Å; V479-F493 HydrophobicContact CG2-CE2 3.9Å; V479-F493 HydrophobicContact CG2-CZ 4.17Å; V479-F493 PolarHBondContact N-O 2.63Å; V479-F493 PolarHBondContact O-N 3.02Å; V479-F493 VanDerWaalsContact O-N 3.11Å; V481-F493 HydrophobicContact CG2-CE1 4.13Å; F493-V495 HydrophobicContact CD2-CG2 3.88Å; F493-V495 HydrophobicContact CE2-CG2 3.62Å
494	T	91.1	Very high	83.2	Confident	69 Å²	69	72 Å²	72	42%	0.423	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.5	179.1	57.2	0	0	0	0	111.7	H410 Y477	H410-T494 PolarHBondContact ND1-O 3.32Å; Y477-T494 CarbonylContact O-C 3.43Å; Y477-T494 VanDerWaalsContact O-CA 3.32Å; Y477-T494 WeakPolarHBondContact O-CA 3.47Å
495	V	90.9	Very high	83.1	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.9	178	178.5	0	0	0	0	109	L409 A412 Y469 Y477 V479 F493 V497	L409-V495 WeakPolarHBondContact O-CG2 2.96Å; A412-V495 HydrophobicContact CB-CG1 3.69Å; Y469-V495 WeakPolarHBondContact OH-CG1 3.49Å; Y477-V495 PolarHBondContact N-O 3.29Å; Y477-V495 PolarHBondContact O-N 3.44Å; V479-V495 HydrophobicContact CG2-CB 4.43Å; V479-V495 HydrophobicContact CG2-CG2 3.62Å; F493-V495 HydrophobicContact CD2-CG2 3.88Å; F493-V495 HydrophobicContact CE2-CG2 3.62Å; V495-V497 HydrophobicContact CG1-CG2 4.44Å
496	T	89.8	Confident	82.6	Confident	70 Å²	70	65.7 Å²	65.7	43%	0.429	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.9	172.6	-55.2	0	0	0	0	109.8	H410 A412 R498	H410-T496 PolarHBondContact O-N 2.69Å; H410-T496 VanDerWaalsContact O-N 3.12Å; A412-T496 PolarHBondContact N-O 2.89Å; A412-T496 VanDerWaalsContact N-O 3.16Å; T496-R498 HydrophobicContact CG2-CG 4.42Å
497	V	89.1	Confident	81.9	Confident	4 Å²	4	65 Å²	65	2%	0.024	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.1	174.5	-177.1	0	0	0	0	108.7	A412 E414 P471 E473 P474 G475 Y477 V495	A412-V497 HydrophobicContact CB-CG2 4.02Å; A412-V497 WeakPolarHBondContact O-CA 3.45Å; E414-V497 HydrophobicContact CB-CG1 4.44Å; P471-V497 HydrophobicContact CB-CB 4.36Å; P471-V497 HydrophobicContact CB-CG1 3.82Å; P471-V497 HydrophobicContact CB-CG2 3.66Å; P471-V497 HydrophobicContact CG-CB 4.33Å; P471-V497 HydrophobicContact CG-CG1 3.57Å; P471-V497 HydrophobicContact CG-CG2 3.71Å; E473-V497 WeakPolarHBondContact O-CG1 3.47Å; P474-V497 WeakPolarHBondContact CA-O 3.49Å; G475-V497 PolarHBondContact N-O 3.48Å; G475-V497 WeakPolarHBondContact O-CB 3.2Å; G475-V497 PolarHBondContact O-N 3.45Å; Y477-V497 HydrophobicContact CD2-CB 4.02Å; Y477-V497 HydrophobicContact CD2-CG2 3.29Å; Y477-V497 HydrophobicContact CE2-CB 3.89Å; Y477-V497 HydrophobicContact CE2-CG2 3.49Å; Y477-V497 VanDerWaalsContact CE2-CG2 3.49Å; Y477-V497 HydrophobicContact CG-CG2 4.18Å; V495-V497 HydrophobicContact CG1-CG2 4.44Å
498	R	86.1	Confident	81.1	Confident	103 Å²	103	65.9 Å²	65.9	39%	0.389	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	160	174.4	-49.7	-169	-179.9	-175.1	-7.8	111	A412 R413 E414 T496 E561	A412-R498 PolarHBondContact O-N 2.85Å; R413-R498 CarbonylContact C-O 3.59Å; R413-R498 WeakPolarHBondContact CA-O 3.49Å; E414-R498 PolarHBondContact N-O 3.2Å; T496-R498 HydrophobicContact CG2-CG 4.42Å; R498-E561 WeakPolarHBondContact CD-OE1 3.25Å; R498-E561 IonicContact NH1-OE1 2.64Å; R498-E561 PolarHBondContact NH1-OE1 3.44Å
499	R	81.8	Confident	79.8	Confident	139 Å²	139	68 Å²	68	53%	0.525	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-57.4	149.2	175.8	-71.4	-173.5	177.8	-157	-2.3	111	R413 P474 H501	R413-R499 WeakPolarHBondContact CD-O 3.49Å; P474-R499 HydrophobicContact CB-CG 3.79Å; P474-R499 HydrophobicContact CG-CG 3.86Å; R499-H501 PolarHBondContact O-N 3.06Å
500	K	76.3	Confident	78.6	Confident	110 Å²	110	65.3 Å²	65.3	48%	0.478	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-56.4	142	170.1	-171.6	176.8	176.4	177.5	0	108.9	E414 R502	E414-K500 HydrophobicContact CB-CB 4.44Å; K500-R502 PolarHBondContact O-N 3.25Å
501	H	72.4	Confident	77.4	Confident	57 Å²	57	63.9 Å²	63.9	26%	0.264	33%	0.334	S	S	.	.			trans	-55.8	112.8	167.5	-73.4	-70	0	0	0	108.7	R499 K559 S560 E561	R499-H501 PolarHBondContact O-N 3.06Å; H501-K559 PolarHBondContact CE1-O 3.21Å; H501-K559 PolarHBondContact ND1-O 3.33Å; H501-S560 WeakPolarHBondContact ND1-CA 3.12Å; H501-S560 PolarHBondContact ND1-O 2.83Å; H501-E561 PolarHBondContact ND1-N 3.02Å
502	R	67.6	Low	75.7	Confident	122 Å²	122	64.8 Å²	64.8	46%	0.46	34%	0.339	S	S	.	.			trans	-78	134.5	170.6	-67.6	-178.9	177.8	-164.9	-4.9	107.1	K500 H504 C562	K500-R502 PolarHBondContact O-N 3.25Å; R502-H504 PolarHBondContact O-N 2.87Å; R502-C562 HydrophobicContact CB-CB 4.06Å
503	P	67.5	Low	74	Confident	116 Å²	116	64.2 Å²	64.2	75%	0.753	33%	0.33	S	S	*	.			trans	-56.7	136.4	166.7	25.5	-31.6	0	0	0	107.8	P505	P503-P505 WeakPolarHBondContact O-CD 3.48Å
504	H	72.7	Confident	72.2	Confident	16 Å²	16	67.6 Å²	67.6	7%	0.074	36%	0.355	C	S	.	.			trans	-68.5	115.8	175.8	-71.4	-68.9	0	0	0	108.1	R502 G506 W550 C552 C553 N557 E558 S560	R502-H504 PolarHBondContact O-N 2.87Å; H504-G506 PolarHBondContact O-N 3Å; H504-W550 HydrophobicContact CB-CB 3.99Å; H504-W550 HydrophobicContact CB-CD2 3.33Å; H504-W550 HydrophobicContact CB-CE3 3.35Å; H504-W550 HydrophobicContact CB-CG 3.62Å; H504-W550 HydrophobicContact CB-CH2 4.48Å; H504-W550 HydrophobicContact CB-CZ3 3.95Å; H504-W550 AromaticContact CD2-CD1 3.42Å; H504-W550 VanDerWaalsContact CD2-CD1 3.42Å; H504-W550 AromaticContact CD2-CD2 3.85Å; H504-W550 AromaticContact CD2-CE2 3.81Å; H504-W550 AromaticContact CD2-CG 3.62Å; H504-W550 AromaticContact CD2-NE1 3.57Å; H504-W550 AromaticContact CG-CD1 3.73Å; H504-W550 AromaticContact CG-CD2 3.66Å; H504-W550 AromaticContact CG-CG 3.43Å; H504-W550 VanDerWaalsContact CG-CG 3.43Å; H504-W550 AromaticContact NE2-CD1 3.82Å; H504-C552 VanDerWaalsContact CB-SG 3.58Å; H504-C552 PolarHBondContact ND1-SG 2.99Å; H504-C553 PolarHBondContact CE1-SG 3.29Å; H504-C553 PolarHBondContact ND1-SG 3.12Å; H504-N557 PolarHBondContact NE2-O 3.15Å; H504-E558 PolarHBondContact CD2-O 2.94Å; H504-E558 VanDerWaalsContact CD2-O 3.27Å; H504-E558 PolarHBondContact NE2-O 2.94Å; H504-S560 PolarHBondContact NE2-OG 3.44Å
505	P	68.7	Low	70.4	Confident	89 Å²	89	68.3 Å²	68.3	58%	0.578	36%	0.362	S	S	*	.			trans	-78.8	-8.5	178.3	33	-35.8	0	0	0	112.5	P503 C552 W564	P503-P505 WeakPolarHBondContact O-CD 3.48Å; P505-C552 HydrophobicContact CG-CB 4.17Å; P505-W564 HydrophobicContact CG-CE3 3.71Å; P505-W564 HydrophobicContact CG-CZ3 3.73Å
506	G	69.3	Low	68.8	Low	17 Å²	17	69.7 Å²	69.7	18%	0.175	37%	0.372	C	S	.	.	S	Bend	trans	-75.9	164.9	175.3	0	0	0	0	0	111.8	H504 W550 S551	H504-G506 PolarHBondContact O-N 3Å; G506-W550 WeakPolarHBondContact O-CZ3 3.48Å; G506-S551 VanDerWaalsContact CA-OG 3.24Å; G506-S551 WeakPolarHBondContact CA-OG 3.42Å
507	V	70.6	Confident	67.2	Low	96 Å²	96	70 Å²	70	58%	0.582	39%	0.389	S	S	*	.			trans	-76.3	137.7	168	179.2	0	0	0	0	108.8	H509 S551	V507-H509 PolarHBondContact O-CD2 2.76Å; V507-H509 PolarHBondContact O-N 3.33Å; V507-H509 PolarHBondContact O-NE2 2.99Å; V507-S551 PolarHBondContact N-OG 2.54Å; V507-S551 PolarHBondContact O-N 3.06Å; V507-S551 VanDerWaalsContact O-N 3.15Å; V507-S551 PolarHBondContact O-OG 2.94Å
508	F	73.4	Confident	65.7	Low	95 Å²	95	71 Å²	71	42%	0.417	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	111.9	170.2	-171.7	-113	0	0	0	108.5	P548 W550	F508-P548 HydrophobicContact CE1-CB 3.78Å; F508-P548 HydrophobicContact CE2-CB 4.33Å; F508-P548 HydrophobicContact CZ-CB 3.55Å; F508-W550 HydrophobicContact CB-CD2 4.07Å; F508-W550 HydrophobicContact CB-CE3 3.88Å; F508-W550 HydrophobicContact CB-CH2 3.9Å; F508-W550 HydrophobicContact CB-CZ2 4.04Å; F508-W550 HydrophobicContact CB-CZ3 3.81Å; F508-W550 AromaticContact CD2-CD1 3.83Å; F508-W550 AromaticContact CD2-CD2 3.78Å; F508-W550 HydrophobicContact CD2-CD2 3.78Å; F508-W550 AromaticContact CD2-CE2 3.57Å; F508-W550 HydrophobicContact CD2-CE3 4.45Å; F508-W550 AromaticContact CD2-CG 3.96Å; F508-W550 HydrophobicContact CD2-CG 3.96Å; F508-W550 HydrophobicContact CD2-CZ2 4.1Å; F508-W550 AromaticContact CD2-NE1 3.54Å; F508-W550 AromaticContact CE2-NE1 3.92Å; F508-W550 HydrophobicContact CG-CD2 4.41Å; F508-W550 HydrophobicContact CG-CZ2 4.32Å
509	H	64.8	Low	64.3	Low	48 Å²	48	72.2 Å²	72.2	22%	0.222	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.8	-178.3	-63.1	-78.6	0	0	0	109.8	V507 P548 H549 S551	V507-H509 PolarHBondContact O-CD2 2.76Å; V507-H509 PolarHBondContact O-N 3.33Å; V507-H509 PolarHBondContact O-NE2 2.99Å; H509-P548 CarbonylContact O-C 3.55Å; H509-P548 WeakPolarHBondContact O-CA 3.38Å; H509-H549 PolarHBondContact N-O 3.31Å; H509-H549 PolarHBondContact O-N 3.02Å; H509-S551 VanDerWaalsContact CD2-CB 3.49Å; H509-S551 WeakPolarHBondContact CD2-CB 3.42Å; H509-S551 WeakPolarHBondContact NE2-CB 3.24Å; H509-S551 PolarHBondContact NE2-OG 3.03Å
510	C	62.2	Low	63.2	Low	60 Å²	60	73 Å²	73	41%	0.405	42%	0.418	S	S	.	.	S	Bend	trans	-74.9	157.4	144.3	62.1	0	0	0	0	108.1	T512 P548	C510-T512 PolarHBondContact O-N 3.25Å; C510-P548 HydrophobicContact CB-CB 4.5Å; C510-P548 HydrophobicContact CB-CG 4.39Å
511	C	59.8	Low	62.4	Low	25 Å²	25	73.4 Å²	73.4	17%	0.169	43%	0.429	C	S	.	.			trans	-24	125.4	-178.1	173.7	0	0	0	0	114.8	F513 C514	C511-F513 PolarHBondContact O-N 3.48Å; C511-C514 PolarHBondContact O-N 3.41Å
512	T	54.4	Low	61.6	Low	35 Å²	35	72.7 Å²	72.7	22%	0.215	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-28.4	-179.7	-45	0	0	0	0	113.6	C510 S516 A522 C524	C510-T512 PolarHBondContact O-N 3.25Å; T512-S516 WeakPolarHBondContact O-CB 3.46Å; T512-S516 PolarHBondContact O-OG 3.15Å; T512-A522 HydrophobicContact CG2-CB 4.26Å; T512-C524 HydrophobicContact CG2-CB 4.36Å; T512-C524 WeakPolarHBondContact OG1-CB 3.34Å; T512-C524 PolarHBondContact OG1-SG 3.22Å
513	F	54.7	Low	61.1	Low	60 Å²	60	76.8 Å²	76.8	26%	0.263	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-41.2	-179.1	-174.2	-102.2	0	0	0	113.9	C511 S516 G518 Y534	C511-F513 PolarHBondContact O-N 3.48Å; F513-S516 PolarHBondContact O-N 2.93Å; F513-S516 PolarHBondContact O-OG 2.97Å; F513-G518 VanDerWaalsContact CE2-C 3.45Å; F513-G518 WeakPolarHBondContact CE2-O 3.35Å; F513-G518 PolarHBondContact O-N 3.43Å; F513-G518 VanDerWaalsContact O-N 3.16Å; F513-Y534 AromaticContact CD2-CE2 3.69Å; F513-Y534 HydrophobicContact CD2-CE2 3.69Å; F513-Y534 AromaticContact CE2-CE2 3.33Å; F513-Y534 HydrophobicContact CE2-CE2 3.33Å; F513-Y534 AromaticContact CE2-CZ 3.36Å; F513-Y534 WeakPolarHBondContact CE2-OH 3.48Å; F513-Y534 HydrophobicContact CZ-CE2 4.21Å; F513-Y534 AromaticContact CZ-CZ 3.78Å; F513-Y534 WeakPolarHBondContact CZ-OH 3.39Å
514	C	52.8	Low	60.5	Low	89 Å²	89	72 Å²	72	60%	0.601	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-39.7	-178.3	-68.1	0	0	0	0	111.6	C511 S516 G517	C511-C514 PolarHBondContact O-N 3.41Å; C514-S516 PolarHBondContact O-N 3.16Å; C514-G517 PolarHBondContact O-N 2.74Å
515	S	53.9	Low	59.5	Low	83 Å²	83	74.5 Å²	74.5	58%	0.58	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.4	179.6	-50.1	0	0	0	0	113.9
516	S	56.3	Low	58.6	Low	29 Å²	29	73.5 Å²	73.5	20%	0.203	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	10.6	179.1	55.6	0	0	0	0	113.5	T512 F513 C514 G518 Q519	T512-S516 WeakPolarHBondContact O-CB 3.46Å; T512-S516 PolarHBondContact O-OG 3.15Å; F513-S516 PolarHBondContact O-N 2.93Å; F513-S516 PolarHBondContact O-OG 2.97Å; C514-S516 PolarHBondContact O-N 3.16Å; S516-G518 PolarHBondContact O-N 3.32Å; S516-G518 VanDerWaalsContact O-N 3.14Å; S516-Q519 WeakPolarHBondContact O-CG 3.4Å; S516-Q519 PolarHBondContact O-N 3.24Å
517	G	57.2	Low	57.9	Low	77 Å²	77	75.6 Å²	75.6	79%	0.794	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	22.7	-179.1	0	0	0	0	0	113.5	C514	C514-G517 PolarHBondContact O-N 2.74Å
518	G	56.7	Low	57.1	Low	25 Å²	25	71.9 Å²	71.9	26%	0.258	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	17.7	179.1	0	0	0	0	0	116.7	F513 S516 K520	F513-G518 VanDerWaalsContact CE2-C 3.45Å; F513-G518 WeakPolarHBondContact CE2-O 3.35Å; F513-G518 PolarHBondContact O-N 3.43Å; F513-G518 VanDerWaalsContact O-N 3.16Å; S516-G518 PolarHBondContact O-N 3.32Å; S516-G518 VanDerWaalsContact O-N 3.14Å; G518-K520 PolarHBondContact O-N 3.14Å
519	Q	58.3	Low	56	Low	128 Å²	128	72.3 Å²	72.3	60%	0.598	45%	0.449	S	S	*	.			trans	-66.4	120	177.4	-73.2	-175.6	-2.7	0	0	112.5	S516 T521 A522	S516-Q519 WeakPolarHBondContact O-CG 3.4Å; S516-Q519 PolarHBondContact O-N 3.24Å; Q519-T521 PolarHBondContact O-N 3.49Å; Q519-A522 WeakPolarHBondContact O-CB 3.5Å; Q519-A522 PolarHBondContact O-N 2.06Å
520	K	57.8	Low	55.4	Low	157 Å²	157	73.9 Å²	73.9	68%	0.683	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.3	-177.7	-61.8	-176.5	-179.5	177.7	0	114.4	G518 Y534	G518-K520 PolarHBondContact O-N 3.14Å; K520-Y534 HydrophobicContact CB-CD2 4.27Å; K520-Y534 HydrophobicContact CB-CG 4.36Å; K520-Y534 HydrophobicContact CD-CD1 3.89Å; K520-Y534 HydrophobicContact CD-CE1 4.43Å; K520-Y534 HydrophobicContact CD-CG 4.01Å; K520-Y534 HydrophobicContact CG-CD1 3.99Å; K520-Y534 HydrophobicContact CG-CD2 3.94Å; K520-Y534 HydrophobicContact CG-CE1 4.29Å; K520-Y534 HydrophobicContact CG-CE2 4.25Å; K520-Y534 HydrophobicContact CG-CG 3.83Å
521	T	60.5	Low	54.7	Low	118 Å²	118	76.4 Å²	76.4	72%	0.724	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-4.8	-179	53.2	0	0	0	0	113.4	Q519 R523	Q519-T521 PolarHBondContact O-N 3.49Å; T521-R523 PolarHBondContact O-N 2.85Å
522	A	55.3	Low	54.4	Low	42 Å²	42	79.1 Å²	79.1	35%	0.347	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-66.8	119.6	-178.8	0	0	0	0	0	111	T512 Q519	T512-A522 HydrophobicContact CG2-CB 4.26Å; Q519-A522 WeakPolarHBondContact O-CB 3.5Å; Q519-A522 PolarHBondContact O-N 2.06Å
523	R	56.4	Low	54.6	Low	208 Å²	208	79.9 Å²	79.9	79%	0.785	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-90.6	138.8	173.5	-67.2	-175.4	177.9	176	-0.8	109.8	T521	T521-R523 PolarHBondContact O-N 2.85Å
524	C	54	Low	54.4	Low	15 Å²	15	81 Å²	81	10%	0.101	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.1	174.3	-169.5	0	0	0	0	109.9	T512 C526 G527	T512-C524 HydrophobicContact CG2-CB 4.36Å; T512-C524 WeakPolarHBondContact OG1-CB 3.34Å; T512-C524 PolarHBondContact OG1-SG 3.22Å; C524-C526 PolarHBondContact O-N 3.36Å; C524-C526 VanDerWaalsContact O-N 3.09Å; C524-C526 PolarHBondContact SG-SG 3.28Å; C524-G527 PolarHBondContact O-N 3.14Å
525	A	51.5	Low	54.2	Low	68 Å²	68	84.6 Å²	84.6	56%	0.562	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	176.5	0	0	0	0	0	113.1	G527	A525-G527 PolarHBondContact O-N 3.38Å
526	C	51.1	Low	54.3	Low	69 Å²	69	81.8 Å²	81.8	47%	0.466	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-0.3	172.3	73.8	0	0	0	0	114.2	C524 G528	C524-C526 PolarHBondContact O-N 3.36Å; C524-C526 VanDerWaalsContact O-N 3.09Å; C524-C526 PolarHBondContact SG-SG 3.28Å; C526-G528 PolarHBondContact O-N 2.81Å
527	G	54.2	Low	54.1	Low	61 Å²	61	83.6 Å²	83.6	63%	0.629	53%	0.531	S	S	*	.			trans	75	4.2	-179	0	0	0	0	0	114.5	C524 A525 T529	C524-G527 PolarHBondContact O-N 3.14Å; A525-G527 PolarHBondContact O-N 3.38Å; G527-T529 PolarHBondContact O-N 3.34Å
528	G	53	Low	54	Low	17 Å²	17	81.1 Å²	81.1	18%	0.175	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-66.4	125.8	179.4	0	0	0	0	0	112.6	C526	C526-G528 PolarHBondContact O-N 2.81Å
529	T	52	Low	53.9	Low	105 Å²	105	85.3 Å²	85.3	64%	0.644	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-95.6	130.7	168.8	28.5	0	0	0	0	110.3	G527 P531	G527-T529 PolarHBondContact O-N 3.34Å; T529-P531 WeakPolarHBondContact O-CD 3.34Å
530	M	50.8	Low	53.7	Low	81 Å²	81	82.6 Å²	82.6	40%	0.399	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-72.4	120.9	170.5	-66.9	-151.2	-63.8	0	0	109.8	Y534 H541	M530-Y534 HydrophobicContact CE-CD2 4.28Å; M530-H541 HydrophobicContact CG-CB 4.32Å
531	P	47.8	Very low	53.7	Low	113 Å²	113	76.2 Å²	76.2	73%	0.734	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	131.9	171	-10.6	26.4	0	0	0	109.6	T529	T529-P531 WeakPolarHBondContact O-CD 3.34Å
532	G	54.7	Low	53.4	Low	81 Å²	81	80.4 Å²	80.4	84%	0.835	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	9	164.6	0	0	0	0	0	118.5
533	G	56.9	Low	53.4	Low	51 Å²	51	81.3 Å²	81.3	53%	0.526	52%	0.519	S	S	.	.	S	Bend	trans	80.4	166.3	179.6	0	0	0	0	0	113.7	L535	G533-L535 PolarHBondContact O-N 3.12Å
534	Y	51.4	Low	53.7	Low	84 Å²	84	73 Å²	73	33%	0.329	49%	0.489	S	S	.	.			trans	-71.9	112.3	-163.2	177.9	-91.6	0	0	0	113.1	F513 K520 M530	F513-Y534 AromaticContact CD2-CE2 3.69Å; F513-Y534 HydrophobicContact CD2-CE2 3.69Å; F513-Y534 AromaticContact CE2-CE2 3.33Å; F513-Y534 HydrophobicContact CE2-CE2 3.33Å; F513-Y534 AromaticContact CE2-CZ 3.36Å; F513-Y534 WeakPolarHBondContact CE2-OH 3.48Å; F513-Y534 HydrophobicContact CZ-CE2 4.21Å; F513-Y534 AromaticContact CZ-CZ 3.78Å; F513-Y534 WeakPolarHBondContact CZ-OH 3.39Å; K520-Y534 HydrophobicContact CB-CD2 4.27Å; K520-Y534 HydrophobicContact CB-CG 4.36Å; K520-Y534 HydrophobicContact CD-CD1 3.89Å; K520-Y534 HydrophobicContact CD-CE1 4.43Å; K520-Y534 HydrophobicContact CD-CG 4.01Å; K520-Y534 HydrophobicContact CG-CD1 3.99Å; K520-Y534 HydrophobicContact CG-CD2 3.94Å; K520-Y534 HydrophobicContact CG-CE1 4.29Å; K520-Y534 HydrophobicContact CG-CE2 4.25Å; K520-Y534 HydrophobicContact CG-CG 3.83Å; M530-Y534 HydrophobicContact CE-CD2 4.28Å
535	L	48.2	Very low	54	Low	164 Å²	164	74.1 Å²	74.1	86%	0.859	50%	0.496	S	S	*	.			trans	-125	46.7	176.2	-73.1	166.7	0	0	0	112.1	G533	G533-L535 PolarHBondContact O-N 3.12Å
536	G	55.8	Low	54.7	Low	25 Å²	25	72.6 Å²	72.6	26%	0.258	49%	0.487	S	S	.	.	S	Bend	trans	82.9	-166.8	175.9	0	0	0	0	0	115.2	G538	G536-G538 VanDerWaalsContact C-N 3.33Å; G536-G538 PolarHBondContact O-N 3.12Å
537	C	53.5	Low	55.6	Low	66 Å²	66	76.5 Å²	76.5	45%	0.446	49%	0.492	S	S	.	.	S	Bend	trans	-60.3	84.5	-177.1	177.2	0	0	0	0	111.3	H539	C537-H539 PolarHBondContact O-N 3.41Å; C537-H539 VanDerWaalsContact SG-CD2 3.51Å
538	G	54	Low	56.5	Low	26 Å²	26	76.5 Å²	76.5	27%	0.268	48%	0.481	S	S	.	.			trans	-70.3	84.1	-170.5	0	0	0	0	0	114.5	G536 G540	G536-G538 VanDerWaalsContact C-N 3.33Å; G536-G538 PolarHBondContact O-N 3.12Å; G538-G540 PolarHBondContact O-N 2.85Å
539	H	55.4	Low	57.5	Low	113 Å²	113	76.4 Å²	76.4	52%	0.523	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	89.4	161.2	-71.6	-143.3	0	0	0	108.1	C537 G546	C537-H539 PolarHBondContact O-N 3.41Å; C537-H539 VanDerWaalsContact SG-CD2 3.51Å; H539-G546 PolarHBondContact CE1-O 2.82Å; H539-G546 PolarHBondContact ND1-O 2.78Å; H539-G546 VanDerWaalsContact ND1-O 3.12Å
540	G	53.4	Low	58.6	Low	71 Å²	71	73 Å²	73	73%	0.732	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	159.8	-0.8	178.6	0	0	0	0	0	117.2	G538	G538-G540 PolarHBondContact O-N 2.85Å
541	H	58	Low	59.5	Low	23 Å²	23	71.5 Å²	71.5	11%	0.106	45%	0.449	C	S	.	.	S	Bend	trans	-74.4	150.2	172.8	71.9	81.8	0	0	0	111.1	M530 G543 H544	M530-H541 HydrophobicContact CG-CB 4.32Å; H541-G543 PolarHBondContact O-N 3.11Å; H541-G543 VanDerWaalsContact O-N 3.14Å; H541-H544 WeakPolarHBondContact NE2-CB 3.47Å; H541-H544 AromaticContact NE2-CD2 3.55Å; H541-H544 AromaticContact NE2-CG 3.77Å; H541-H544 PolarHBondContact O-N 3.06Å
542	K	54.3	Low	60.5	Low	206 Å²	206	67 Å²	67	90%	0.896	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	121.7	177.5	-146.5	172.5	-175.6	178.7	0	108.7
543	G	55.4	Low	61.2	Low	61 Å²	61	64.6 Å²	64.6	63%	0.629	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-4.1	-177.7	0	0	0	0	0	116.9	H541	H541-G543 PolarHBondContact O-N 3.11Å; H541-G543 VanDerWaalsContact O-N 3.14Å
544	H	61.4	Low	61.9	Low	32 Å²	32	63.5 Å²	63.5	15%	0.148	38%	0.379	C	S	.	.			trans	-83.7	133	173.4	-165.4	-104.7	0	0	0	111.6	H541 G546	H541-H544 WeakPolarHBondContact NE2-CB 3.47Å; H541-H544 AromaticContact NE2-CD2 3.55Å; H541-H544 AromaticContact NE2-CG 3.77Å; H541-H544 PolarHBondContact O-N 3.06Å; H544-G546 VanDerWaalsContact C-N 3.32Å; H544-G546 WeakPolarHBondContact ND1-CA 3.33Å; H544-G546 PolarHBondContact ND1-N 3.39Å; H544-G546 PolarHBondContact O-N 3.14Å
545	P	61	Low	63	Low	39 Å²	39	63.8 Å²	63.8	25%	0.253	38%	0.381	S	S	.	.			trans	-89.3	6.2	-175.6	37.4	-37.1	0	0	0	113.9	R547 H549 F556	P545-R547 PolarHBondContact O-N 2.88Å; P545-R547 VanDerWaalsContact O-N 3.15Å; P545-H549 HydrophobicContact CG-CB 3.97Å; P545-H549 WeakPolarHBondContact CG-CE1 3.32Å; P545-H549 WeakPolarHBondContact CG-ND1 3.42Å; P545-F556 HydrophobicContact CB-CE1 3.6Å; P545-F556 HydrophobicContact CB-CZ 3.67Å; P545-F556 HydrophobicContact CG-CE1 4.14Å; P545-F556 WeakPolarHBondContact O-CE1 3.26Å; P545-F556 WeakPolarHBondContact O-CZ 3.48Å
546	G	67.2	Low	64.4	Low	36 Å²	36	59.6 Å²	59.6	37%	0.371	36%	0.356	S	S	.	.	S	Bend	trans	76.6	-4.6	167.8	0	0	0	0	0	116.2	H539 H544	H539-G546 PolarHBondContact CE1-O 2.82Å; H539-G546 PolarHBondContact ND1-O 2.78Å; H539-G546 VanDerWaalsContact ND1-O 3.12Å; H544-G546 VanDerWaalsContact C-N 3.32Å; H544-G546 WeakPolarHBondContact ND1-CA 3.33Å; H544-G546 PolarHBondContact ND1-N 3.39Å; H544-G546 PolarHBondContact O-N 3.14Å
547	R	69.9	Low	65.1	Low	152 Å²	152	63.3 Å²	63.3	57%	0.574	37%	0.37	S	S	*	.	S	Bend	trans	-157.2	165.3	-178.8	60.5	-171.2	160.5	-169.8	-10.2	110.4	P545 H549 F556	P545-R547 PolarHBondContact O-N 2.88Å; P545-R547 VanDerWaalsContact O-N 3.15Å; R547-H549 PolarHBondContact O-N 3.37Å; R547-H549 PolarHBondContact O-ND1 2.83Å; R547-F556 HydrophobicContact CB-CE1 4.42Å; R547-F556 HydrophobicContact CG-CD1 3.28Å; R547-F556 HydrophobicContact CG-CE1 3.13Å; R547-F556 HydrophobicContact CG-CG 4.01Å; R547-F556 HydrophobicContact CG-CZ 3.82Å; R547-F556 VanDerWaalsContact NE-CD2 3.35Å
548	P	72.5	Confident	65.9	Low	60 Å²	60	66.5 Å²	66.5	39%	0.39	38%	0.379	S	S	.	.			trans	-57.1	133.6	-176	-25.3	34.9	0	0	0	112.7	F508 H509 C510 F556	F508-P548 HydrophobicContact CE1-CB 3.78Å; F508-P548 HydrophobicContact CE2-CB 4.33Å; F508-P548 HydrophobicContact CZ-CB 3.55Å; H509-P548 CarbonylContact O-C 3.55Å; H509-P548 WeakPolarHBondContact O-CA 3.38Å; C510-P548 HydrophobicContact CB-CB 4.5Å; C510-P548 HydrophobicContact CB-CG 4.39Å; P548-F556 WeakPolarHBondContact O-CD1 3.07Å
549	H	73.1	Confident	66.7	Low	15 Å²	15	73.1 Å²	73.1	7%	0.069	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.9	-170.6	64.7	-78.4	0	0	0	112.7	H509 P545 R547 K555 F556	H509-H549 PolarHBondContact N-O 3.31Å; H509-H549 PolarHBondContact O-N 3.02Å; P545-H549 HydrophobicContact CG-CB 3.97Å; P545-H549 WeakPolarHBondContact CG-CE1 3.32Å; P545-H549 WeakPolarHBondContact CG-ND1 3.42Å; R547-H549 PolarHBondContact O-N 3.37Å; R547-H549 PolarHBondContact O-ND1 2.83Å; H549-K555 WeakPolarHBondContact CA-O 3.25Å; H549-F556 HydrophobicContact CB-CD1 3.88Å; H549-F556 HydrophobicContact CB-CE1 4.07Å
550	W	76.1	Confident	67.5	Low	35 Å²	35	68.6 Å²	68.6	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.9	174	-66.9	97.7	0	0	0	111.5	H504 G506 F508 C552 C553 G554 K555 E558	H504-W550 HydrophobicContact CB-CB 3.99Å; H504-W550 HydrophobicContact CB-CD2 3.33Å; H504-W550 HydrophobicContact CB-CE3 3.35Å; H504-W550 HydrophobicContact CB-CG 3.62Å; H504-W550 HydrophobicContact CB-CH2 4.48Å; H504-W550 HydrophobicContact CB-CZ3 3.95Å; H504-W550 AromaticContact CD2-CD1 3.42Å; H504-W550 VanDerWaalsContact CD2-CD1 3.42Å; H504-W550 AromaticContact CD2-CD2 3.85Å; H504-W550 AromaticContact CD2-CE2 3.81Å; H504-W550 AromaticContact CD2-CG 3.62Å; H504-W550 AromaticContact CD2-NE1 3.57Å; H504-W550 AromaticContact CG-CD1 3.73Å; H504-W550 AromaticContact CG-CD2 3.66Å; H504-W550 AromaticContact CG-CG 3.43Å; H504-W550 VanDerWaalsContact CG-CG 3.43Å; H504-W550 AromaticContact NE2-CD1 3.82Å; G506-W550 WeakPolarHBondContact O-CZ3 3.48Å; F508-W550 HydrophobicContact CB-CD2 4.07Å; F508-W550 HydrophobicContact CB-CE3 3.88Å; F508-W550 HydrophobicContact CB-CH2 3.9Å; F508-W550 HydrophobicContact CB-CZ2 4.04Å; F508-W550 HydrophobicContact CB-CZ3 3.81Å; F508-W550 AromaticContact CD2-CD1 3.83Å; F508-W550 AromaticContact CD2-CD2 3.78Å; F508-W550 HydrophobicContact CD2-CD2 3.78Å; F508-W550 AromaticContact CD2-CE2 3.57Å; F508-W550 HydrophobicContact CD2-CE3 4.45Å; F508-W550 AromaticContact CD2-CG 3.96Å; F508-W550 HydrophobicContact CD2-CG 3.96Å; F508-W550 HydrophobicContact CD2-CZ2 4.1Å; F508-W550 AromaticContact CD2-NE1 3.54Å; F508-W550 AromaticContact CE2-NE1 3.92Å; F508-W550 HydrophobicContact CG-CD2 4.41Å; F508-W550 HydrophobicContact CG-CZ2 4.32Å; W550-C552 PolarHBondContact O-N 2.82Å; W550-C553 PolarHBondContact O-N 3.12Å; W550-G554 WeakPolarHBondContact O-CA 3.09Å; W550-G554 PolarHBondContact O-N 2.91Å; W550-K555 VanDerWaalsContact CD1-O 3.26Å; W550-K555 PolarHBondContact N-O 3.23Å; W550-E558 HydrophobicContact CZ2-CB 4.04Å; W550-E558 HydrophobicContact CZ2-CG 3.83Å
551	S	70.1	Confident	68.3	Low	49 Å²	49	68.5 Å²	68.5	34%	0.343	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.2	179.7	36.9	0	0	0	0	114.2	G506 V507 H509 C553	G506-S551 VanDerWaalsContact CA-OG 3.24Å; G506-S551 WeakPolarHBondContact CA-OG 3.42Å; V507-S551 PolarHBondContact N-OG 2.54Å; V507-S551 PolarHBondContact O-N 3.06Å; V507-S551 VanDerWaalsContact O-N 3.15Å; V507-S551 PolarHBondContact O-OG 2.94Å; H509-S551 VanDerWaalsContact CD2-CB 3.49Å; H509-S551 WeakPolarHBondContact CD2-CB 3.42Å; H509-S551 WeakPolarHBondContact NE2-CB 3.24Å; H509-S551 PolarHBondContact NE2-OG 3.03Å; S551-C553 PolarHBondContact O-N 3.41Å
552	C	68.6	Low	68.9	Low	19 Å²	19	68.2 Å²	68.2	13%	0.128	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-27.7	-176.5	56.8	0	0	0	0	113.9	H504 P505 W550 C562 W564	H504-C552 VanDerWaalsContact CB-SG 3.58Å; H504-C552 PolarHBondContact ND1-SG 2.99Å; P505-C552 HydrophobicContact CG-CB 4.17Å; W550-C552 PolarHBondContact O-N 2.82Å; C552-C562 VanDerWaalsContact SG-SG 3.68Å; C552-W564 HydrophobicContact CB-CB 4.26Å; C552-W564 HydrophobicContact CB-CD2 4.49Å; C552-W564 HydrophobicContact CB-CG 4.2Å; C552-W564 WeakPolarHBondContact O-CB 3.32Å; C552-W564 VanDerWaalsContact O-CD1 3.23Å
553	C	69.6	Low	69.4	Low	29 Å²	29	62.9 Å²	62.9	20%	0.196	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	5.5	-175.1	68.9	0	0	0	0	116.1	H504 W550 S551 K555	H504-C553 PolarHBondContact CE1-SG 3.29Å; H504-C553 PolarHBondContact ND1-SG 3.12Å; W550-C553 PolarHBondContact O-N 3.12Å; S551-C553 PolarHBondContact O-N 3.41Å; C553-K555 PolarHBondContact O-N 2.69Å; C553-K555 WeakPolarHBondContact SG-CG 3.09Å
554	G	71.3	Confident	69.9	Low	29 Å²	29	64.4 Å²	64.4	30%	0.299	33%	0.334	S	S	.	.			trans	71.7	7.9	177.4	0	0	0	0	0	115.4	W550	W550-G554 WeakPolarHBondContact O-CA 3.09Å; W550-G554 PolarHBondContact O-N 2.91Å
555	K	74.7	Confident	69.7	Low	89 Å²	89	69.3 Å²	69.3	39%	0.387	37%	0.366	S	S	.	.			trans	-76	148.1	178	-64.1	-69	-177.8	-175.2	0	111.3	H549 W550 C553 S560	H549-K555 WeakPolarHBondContact CA-O 3.25Å; W550-K555 VanDerWaalsContact CD1-O 3.26Å; W550-K555 PolarHBondContact N-O 3.23Å; C553-K555 PolarHBondContact O-N 2.69Å; C553-K555 WeakPolarHBondContact SG-CG 3.09Å; K555-S560 WeakPolarHBondContact CB-OG 3.42Å
556	F	77	Confident	69.5	Low	76 Å²	76	69 Å²	69	33%	0.333	37%	0.369	S	S	.	.	S	Bend	trans	-93.7	-21.6	-176.3	-49.7	-66.7	0	0	0	113.7	P545 R547 P548 H549	P545-F556 HydrophobicContact CB-CE1 3.6Å; P545-F556 HydrophobicContact CB-CZ 3.67Å; P545-F556 HydrophobicContact CG-CE1 4.14Å; P545-F556 WeakPolarHBondContact O-CE1 3.26Å; P545-F556 WeakPolarHBondContact O-CZ 3.48Å; R547-F556 HydrophobicContact CB-CE1 4.42Å; R547-F556 HydrophobicContact CG-CD1 3.28Å; R547-F556 HydrophobicContact CG-CE1 3.13Å; R547-F556 HydrophobicContact CG-CG 4.01Å; R547-F556 HydrophobicContact CG-CZ 3.82Å; R547-F556 VanDerWaalsContact NE-CD2 3.35Å; P548-F556 WeakPolarHBondContact O-CD1 3.07Å; H549-F556 HydrophobicContact CB-CD1 3.88Å; H549-F556 HydrophobicContact CB-CE1 4.07Å
557	N	71.4	Confident	68.6	Low	103 Å²	103	69.5 Å²	69.5	55%	0.551	38%	0.375	S	S	*	.			trans	-106.2	132.3	-177.8	-169.7	-17.2	0	0	0	109.6	H504 K559 S560	H504-N557 PolarHBondContact NE2-O 3.15Å; N557-K559 VanDerWaalsContact C-N 3.29Å; N557-K559 PolarHBondContact O-N 2.79Å; N557-K559 PolarHBondContact OD1-N 3.08Å; N557-K559 VanDerWaalsContact OD1-N 3.13Å; N557-S560 WeakPolarHBondContact O-CB 3.35Å; N557-S560 PolarHBondContact O-N 2.75Å; N557-S560 PolarHBondContact O-OG 3.37Å
558	E	70.1	Confident	67.4	Low	133 Å²	133	72.1 Å²	72.1	62%	0.621	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-41.6	176	-176.6	176.3	-164.2	0	0	112.1	H504 W550 S560	H504-E558 PolarHBondContact CD2-O 2.94Å; H504-E558 VanDerWaalsContact CD2-O 3.27Å; H504-E558 PolarHBondContact NE2-O 2.94Å; W550-E558 HydrophobicContact CZ2-CB 4.04Å; W550-E558 HydrophobicContact CZ2-CG 3.83Å; E558-S560 VanDerWaalsContact C-N 3.3Å; E558-S560 PolarHBondContact O-N 3.42Å; E558-S560 VanDerWaalsContact O-N 3.16Å
559	K	69.7	Low	65.7	Low	166 Å²	166	74.6 Å²	74.6	72%	0.722	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	52.6	178.6	-62	-178.7	-177.5	176.7	0	112	H501 N557	H501-K559 PolarHBondContact CE1-O 3.21Å; H501-K559 PolarHBondContact ND1-O 3.33Å; N557-K559 VanDerWaalsContact C-N 3.29Å; N557-K559 PolarHBondContact O-N 2.79Å; N557-K559 PolarHBondContact OD1-N 3.08Å; N557-K559 VanDerWaalsContact OD1-N 3.13Å
560	S	72.1	Confident	64	Low	18 Å²	18	77.2 Å²	77.2	13%	0.126	44%	0.436	C	S	.	.	S	Bend	trans	-117	164.9	178	62.1	0	0	0	0	112.8	H501 H504 K555 N557 E558 C562	H501-S560 WeakPolarHBondContact ND1-CA 3.12Å; H501-S560 PolarHBondContact ND1-O 2.83Å; H504-S560 PolarHBondContact NE2-OG 3.44Å; K555-S560 WeakPolarHBondContact CB-OG 3.42Å; N557-S560 WeakPolarHBondContact O-CB 3.35Å; N557-S560 PolarHBondContact O-N 2.75Å; N557-S560 PolarHBondContact O-OG 3.37Å; E558-S560 VanDerWaalsContact C-N 3.3Å; E558-S560 PolarHBondContact O-N 3.42Å; E558-S560 VanDerWaalsContact O-N 3.16Å; S560-C562 PolarHBondContact O-N 2.98Å
561	E	70.4	Confident	62.1	Low	68 Å²	68	80.9 Å²	80.9	32%	0.318	47%	0.467	S	S	.	.			trans	-70.6	108.6	177	-72	172	-153.9	0	0	109	R498 H501 T563	R498-E561 WeakPolarHBondContact CD-OE1 3.25Å; R498-E561 IonicContact NH1-OE1 2.64Å; R498-E561 PolarHBondContact NH1-OE1 3.44Å; H501-E561 PolarHBondContact ND1-N 3.02Å; E561-T563 PolarHBondContact O-N 3.46Å
562	C	71.1	Confident	60.7	Low	17 Å²	17	89.5 Å²	89.5	12%	0.115	49%	0.492	C	S	.	.			trans	-73.3	110.8	172	-172.8	0	0	0	0	109.2	R502 C552 S560 W564	R502-C562 HydrophobicContact CB-CB 4.06Å; C552-C562 VanDerWaalsContact SG-SG 3.68Å; S560-C562 PolarHBondContact O-N 2.98Å; C562-W564 PolarHBondContact O-N 2.84Å; C562-W564 VanDerWaalsContact SG-CB 3.54Å
563	T	65.1	Low	59.3	Low	94 Å²	94	93.5 Å²	93.5	58%	0.577	52%	0.52	S	S	*	.			trans	-81.9	4	179.1	53.1	0	0	0	0	113	E561 T565	E561-T563 PolarHBondContact O-N 3.46Å; T563-T565 PolarHBondContact O-N 3.37Å
564	W	65.8	Low	57.7	Low	94 Å²	94	99.9 Å²	99.9	36%	0.356	55%	0.552	S	S	.	*			trans	-70.2	118	-179.8	-169.6	67.8	0	0	0	110.7	P505 C552 C562 G566	P505-W564 HydrophobicContact CG-CE3 3.71Å; P505-W564 HydrophobicContact CG-CZ3 3.73Å; C552-W564 HydrophobicContact CB-CB 4.26Å; C552-W564 HydrophobicContact CB-CD2 4.49Å; C552-W564 HydrophobicContact CB-CG 4.2Å; C552-W564 WeakPolarHBondContact O-CB 3.32Å; C552-W564 VanDerWaalsContact O-CD1 3.23Å; C562-W564 PolarHBondContact O-N 2.84Å; C562-W564 VanDerWaalsContact SG-CB 3.54Å; W564-G566 WeakPolarHBondContact CH2-O 3.48Å; W564-G566 WeakPolarHBondContact CZ2-O 3.44Å; W564-G566 WeakPolarHBondContact CZ3-O 3.24Å
565	T	56.7	Low	56.1	Low	135 Å²	135	106 Å²	106	83%	0.828	58%	0.577	S	S	*	*			trans	-101.8	-3.7	-178.7	48	0	0	0	0	113.5	T563	T563-T565 PolarHBondContact O-N 3.37Å
566	G	56.4	Low	54	Low	31 Å²	31	112.9 Å²	112.9	32%	0.32	60%	0.6	S	S	.	*			trans	-75.3	139.5	179.5	0	0	0	0	0	112.6	W564	W564-G566 WeakPolarHBondContact CH2-O 3.48Å; W564-G566 WeakPolarHBondContact CZ2-O 3.44Å; W564-G566 WeakPolarHBondContact CZ3-O 3.24Å
567	G	48.4	Very low	51.9	Low	47 Å²	47	115.7 Å²	115.7	49%	0.485	62%	0.624	S	S	.	*			trans	-77.5	174.1	168.6	0	0	0	0	0	111.8	S569 A570	G567-S569 PolarHBondContact O-N 3.26Å; G567-A570 PolarHBondContact O-N 3.43Å
568	Q	44.5	Very low	49.8	Very low	208 Å²	208	117.1 Å²	117.1	97%	0.972	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	6	178.8	-69.3	178.2	-3.3	0	0	115.9
569	S	37.9	Very low	48	Very low	112 Å²	112	114.9 Å²	114.9	78%	0.783	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	4	-172.9	63.8	0	0	0	0	115.8	G567 S571	G567-S569 PolarHBondContact O-N 3.26Å; S569-S571 PolarHBondContact O-N 3.23Å
570	A	36.8	Very low	46.1	Very low	69 Å²	69	118.8 Å²	118.8	57%	0.57	67%	0.668	S	S	*	*	S	Bend	trans	-70.4	113.8	164.7	0	0	0	0	0	107.9	G567 R572	G567-A570 PolarHBondContact O-N 3.43Å; A570-R572 PolarHBondContact O-N 3.22Å
571	S	37.3	Very low	44.8	Very low	112 Å²	112	123.9 Å²	123.9	78%	0.783	70%	0.695	S	S	*	*			trans	-38.5	109.6	-175.2	54.1	0	0	0	0	111.3	S569 S573	S569-S571 PolarHBondContact O-N 3.23Å; S571-S573 PolarHBondContact O-N 3.24Å
572	R	40.5	Very low	43.4	Very low	231 Å²	231	126.8 Å²	126.8	87%	0.872	72%	0.715	S	S	*	*			trans	-48.9	119.1	159.8	-71.7	178.9	174.9	177.8	-2.2	104.9	A570 L574	A570-R572 PolarHBondContact O-N 3.22Å; R572-L574 PolarHBondContact O-N 3.37Å
573	S	38.9	Very low	41.9	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	75%	0.748	S	S	*	*			trans	-61.4	88.4	171	44.8	0	0	0	0	107.1	S571 L575	S571-S573 PolarHBondContact O-N 3.24Å; S573-L575 VanDerWaalsContact C-N 3.3Å; S573-L575 PolarHBondContact O-N 3Å
574	L	35	Very low	40.5	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	76%	0.758	S	S	*	*			trans	-57.8	101	167.8	-81.8	155.9	0	0	0	105.4	R572 R576	R572-L574 PolarHBondContact O-N 3.37Å; L574-R576 PolarHBondContact O-N 3.08Å
575	L	38.3	Very low	38.9	Very low	156 Å²	156	137.8 Å²	137.8	82%	0.817	78%	0.783	S	S	*	*			trans	-52	111.4	164.4	-78.5	155.6	0	0	0	106.4	S573 T577	S573-L575 VanDerWaalsContact C-N 3.3Å; S573-L575 PolarHBondContact O-N 3Å; L575-T577 PolarHBondContact O-N 2.85Å
576	R	31.7	Very low	37.8	Very low	234 Å²	234	137.9 Å²	137.9	88%	0.883	78%	0.78	S	S	*	*			trans	-57.5	106.6	161.5	-91.6	-178.3	172.6	171.9	-2.7	106.6	L574 V578	L574-R576 PolarHBondContact O-N 3.08Å; R576-V578 PolarHBondContact O-N 2.84Å; R576-V578 VanDerWaalsContact O-N 3.13Å
577	T	31.3	Very low	36.4	Very low	135 Å²	135	145.6 Å²	145.6	83%	0.828	81%	0.813	S	S	*	*			trans	-57.5	110.5	158.4	-36.4	0	0	0	0	106.6	L575 A579	L575-T577 PolarHBondContact O-N 2.85Å; T577-A579 PolarHBondContact O-N 3.31Å
578	V	28.3	Very low	35.5	Very low	133 Å²	133	153.2 Å²	153.2	81%	0.806	84%	0.839	S	S	*	*			trans	-83.2	107.3	160.9	-176	0	0	0	0	104.4	R576	R576-V578 PolarHBondContact O-N 2.84Å; R576-V578 VanDerWaalsContact O-N 3.13Å
579	A	31.5	Very low	34.8	Very low	86 Å²	86	148.6 Å²	148.6	71%	0.711	83%	0.827	S	S	*	*			trans	-63.8	146.9	164.3	0	0	0	0	0	108.8	T577	T577-A579 PolarHBondContact O-N 3.31Å
580	L	29.7	Very low	34.5	Very low	249 Å²	249	151.9 Å²	151.9	100%	1.304	83%	0.831	S	S	*	*			trans	-31.1	0	-173.5	-78.8	156.7	0	0	0	116.2

Retrieved 580 of 580 residues in 278.4 ms (Link to these results)

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