A0A3B3VHQ9_9TELE Loading...

Heat shock protein 90, alpha (cytosolic), class A member 1, tandem duplicate 2

AlphaFold DB , UniProt , Accession A0A3B3VHQ9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 733 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	49.4	Very low	53.3	Low	198 Å²	198	164.5 Å²	164.5	98%	0.975	84%	0.837	S	S	*	*				0	138.9	0	-79.9	-166.2	173.2	0	0	108.3	E3	M1-E3 HydrophobicContact CE-CG 3.98Å; M1-E3 WeakPolarHBondContact CE-OE1 3.28Å; M1-E3 HydrophobicContact CG-CG 4.3Å; M1-E3 HydrophobicContact SD-CG 4.5Å
2	P	51	Low	54.6	Low	132 Å²	132	166.3 Å²	166.3	86%	0.857	84%	0.84	S	S	*	*	P	Polyproline II helix	cis	-99.6	155.5	32.8	22.2	-7.3	0	0	0	114.9
3	E	47.4	Very low	55.9	Low	142 Å²	142	163.5 Å²	163.5	66%	0.664	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-72	131.2	-175.5	-68.3	157.7	143.2	0	0	111.5	M1	M1-E3 HydrophobicContact CE-CG 3.98Å; M1-E3 WeakPolarHBondContact CE-OE1 3.28Å; M1-E3 HydrophobicContact CG-CG 4.3Å; M1-E3 HydrophobicContact SD-CG 4.5Å
4	L	48.9	Very low	57.9	Low	171 Å²	171	161.9 Å²	161.9	90%	0.895	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.8	116.8	160.4	-82	150.6	0	0	0	107	D6	L4-D6 PolarHBondContact O-N 2.69Å; L4-D6 VanDerWaalsContact O-N 3.12Å
5	H	50.3	Low	59.7	Low	176 Å²	176	159.9 Å²	159.9	82%	0.815	82%	0.823	S	S	*	*			trans	-60	108.3	162	-89.8	25.5	0	0	0	108.2	Q7	H5-Q7 PolarHBondContact O-N 2.73Å
6	D	51.3	Low	61.4	Low	163 Å²	163	160 Å²	160	87%	0.872	82%	0.816	S	S	*	*			trans	-63.2	101.6	159	-107.4	-21.4	0	0	0	106.9	L4	L4-D6 PolarHBondContact O-N 2.69Å; L4-D6 VanDerWaalsContact O-N 3.12Å
7	Q	56.1	Low	63	Low	166 Å²	166	155.9 Å²	155.9	78%	0.776	81%	0.812	S	S	*	*			trans	-64.5	136.6	161.4	-73.4	-178.8	-20.3	0	0	107.2	H5 M9	H5-Q7 PolarHBondContact O-N 2.73Å; Q7-M9 PolarHBondContact O-N 3.07Å; Q7-M9 VanDerWaalsContact O-N 3.16Å
8	P	53.6	Low	64.4	Low	121 Å²	121	159.4 Å²	159.4	79%	0.786	82%	0.82	S	S	*	*			trans	-58.5	126.2	173	4.9	2.6	0	0	0	107.7	E10	P8-E10 PolarHBondContact O-N 3.3Å
9	M	55.5	Low	65.5	Low	176 Å²	176	161.1 Å²	161.1	87%	0.867	82%	0.824	S	S	*	*			trans	-49.5	112.8	166.6	-85.9	174.2	50.6	0	0	107.5	Q7 E11	Q7-M9 PolarHBondContact O-N 3.07Å; Q7-M9 VanDerWaalsContact O-N 3.16Å; M9-E11 PolarHBondContact O-N 2.78Å; M9-E11 VanDerWaalsContact O-N 3.08Å
10	E	58.6	Low	66.4	Low	188 Å²	188	157 Å²	157	88%	0.879	82%	0.815	S	S	*	*			trans	-59	113.2	165	-79.3	-179.4	154.1	0	0	106.7	P8 E12	P8-E10 PolarHBondContact O-N 3.3Å; E10-E12 PolarHBondContact O-N 2.96Å
11	E	64.3	Low	67.2	Low	176 Å²	176	155 Å²	155	82%	0.822	80%	0.802	S	S	*	*			trans	-57.3	126	170.7	-69.7	-179.2	164	0	0	108.2	M9 T13	M9-E11 PolarHBondContact O-N 2.78Å; M9-E11 VanDerWaalsContact O-N 3.08Å; E11-T13 PolarHBondContact O-N 3.48Å; E11-T13 PolarHBondContact O-OG1 3.47Å
12	E	68.9	Low	68.7	Low	187 Å²	187	150.4 Å²	150.4	87%	0.874	78%	0.78	S	S	*	*			trans	-57.3	108.2	178.2	-79.7	-176	155.9	0	0	109.2	E10 E14	E10-E12 PolarHBondContact O-N 2.96Å; E12-E14 PolarHBondContact O-N 2.88Å
13	T	70.9	Confident	70	Confident	129 Å²	129	146.9 Å²	146.9	79%	0.791	76%	0.762	S	S	*	*			trans	-84	109.6	-179.5	-59	0	0	0	0	109.2	E11	E11-T13 PolarHBondContact O-N 3.48Å; E11-T13 PolarHBondContact O-OG1 3.47Å
14	E	83.7	Confident	71.6	Confident	142 Å²	142	145.6 Å²	145.6	66%	0.664	76%	0.756	S	S	*	*			trans	-87.5	130.7	172.6	-65.3	-174.5	177	0	0	111	E12 F16	E12-E14 PolarHBondContact O-N 2.88Å; E14-F16 HydrophobicContact CB-CD2 4.49Å; E14-F16 HydrophobicContact CB-CE2 3.69Å; E14-F16 HydrophobicContact CB-CZ 4.16Å; E14-F16 VanDerWaalsContact OE2-CZ 3.25Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.42Å
15	T	85.1	Confident	73.3	Confident	131 Å²	131	140 Å²	140	80%	0.804	73%	0.727	S	S	*	*			trans	-112.6	124.5	177.5	-59.7	0	0	0	0	109.8
16	F	87.9	Confident	74.8	Confident	162 Å²	162	132.4 Å²	132.4	71%	0.711	69%	0.692	S	S	*	*			trans	-114.4	145.4	174.8	-60.6	-87.4	0	0	0	110.3	E14	E14-F16 HydrophobicContact CB-CD2 4.49Å; E14-F16 HydrophobicContact CB-CE2 3.69Å; E14-F16 HydrophobicContact CB-CZ 4.16Å; E14-F16 VanDerWaalsContact OE2-CZ 3.25Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.42Å
17	A	88.6	Confident	76.3	Confident	91 Å²	91	127.4 Å²	127.4	75%	0.752	67%	0.67	S	S	*	*			trans	-75.3	147.4	170.3	0	0	0	0	0	110.5	Q19	A17-Q19 PolarHBondContact O-N 3.26Å
18	F	88.1	Confident	77.7	Confident	219 Å²	219	123.4 Å²	123.4	96%	0.961	65%	0.653	S	S	*	*			trans	-60.9	135.8	172.3	-70.3	-74.5	0	0	0	110.8
19	Q	84.4	Confident	79.1	Confident	191 Å²	191	117.7 Å²	117.7	89%	0.893	62%	0.616	S	S	*	*			trans	-110.3	150.4	172.9	-63.7	-170	-19	0	0	109.9	A17	A17-Q19 PolarHBondContact O-N 3.26Å
20	A	83.2	Confident	80.4	Confident	78 Å²	78	110.2 Å²	110.2	65%	0.645	58%	0.58	S	S	*	*			trans	-134.2	131.8	176.9	0	0	0	0	0	110.4	I22	A20-I22 PolarHBondContact O-N 2.97Å
21	E	84.3	Confident	81.4	Confident	115 Å²	115	106.7 Å²	106.7	54%	0.537	57%	0.567	S	S	.	*			trans	-81.9	104	176.6	-170	179.6	151.5	0	0	110.1	A23 Q24 L25	E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 2.72Å; E21-Q24 HydrophobicContact CB-CB 4.45Å; E21-Q24 HydrophobicContact CG-CB 4.49Å; E21-Q24 HydrophobicContact CG-CG 4.27Å; E21-Q24 PolarHBondContact O-N 2.67Å; E21-Q24 WeakPolarHBondContact OE1-CG 3.35Å; E21-Q24 PolarHBondContact OE1-NE2 2.9Å; E21-Q24 PolarHBondContact OE2-NE2 3.04Å; E21-L25 PolarHBondContact O-N 3.11Å
22	I	81.3	Confident	82.3	Confident	103 Å²	103	102.4 Å²	102.4	53%	0.528	55%	0.553	S	S	.	*	H	α-helix	trans	-59.3	-39.1	-171.8	-64.8	173.4	0	0	0	112	A20 Q24 L25 M26 I106	A20-I22 PolarHBondContact O-N 2.97Å; I22-Q24 PolarHBondContact O-N 2.86Å; I22-L25 PolarHBondContact O-N 3.45Å; I22-M26 HydrophobicContact CG2-CG 4.15Å; I22-M26 VanDerWaalsContact O-CB 3.31Å; I22-M26 WeakPolarHBondContact O-CB 3.41Å; I22-M26 VanDerWaalsContact O-CG 3.23Å; I22-M26 WeakPolarHBondContact O-CG 3.34Å; I22-M26 PolarHBondContact O-N 3.4Å; I22-I106 HydrophobicContact CG2-CD1 4.04Å
23	A	77.2	Confident	82.9	Confident	57 Å²	57	96.3 Å²	96.3	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-43	-179.6	0	0	0	0	0	112.3	E21 S27	E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 2.72Å; A23-S27 PolarHBondContact O-N 3.18Å
24	Q	82.4	Confident	83.5	Confident	115 Å²	115	91 Å²	91	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-71.4	-39.3	175.4	-70.1	-176.6	20.6	0	0	111.9	E21 I22 S27 L28	E21-Q24 HydrophobicContact CB-CB 4.45Å; E21-Q24 HydrophobicContact CG-CB 4.49Å; E21-Q24 HydrophobicContact CG-CG 4.27Å; E21-Q24 PolarHBondContact O-N 2.67Å; E21-Q24 WeakPolarHBondContact OE1-CG 3.35Å; E21-Q24 PolarHBondContact OE1-NE2 2.9Å; E21-Q24 PolarHBondContact OE2-NE2 3.04Å; I22-Q24 PolarHBondContact O-N 2.86Å; Q24-S27 WeakPolarHBondContact O-CB 3.39Å; Q24-S27 PolarHBondContact O-N 3.27Å; Q24-L28 WeakPolarHBondContact O-CG 3.38Å; Q24-L28 PolarHBondContact O-N 3.47Å
25	L	84	Confident	83.4	Confident	55 Å²	55	89.3 Å²	89.3	29%	0.288	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-42.3	178.7	-174	60.9	0	0	0	112.2	E21 I22 L28 I29 I106	E21-L25 PolarHBondContact O-N 3.11Å; I22-L25 PolarHBondContact O-N 3.45Å; L25-L28 PolarHBondContact O-N 2.87Å; L25-I29 HydrophobicContact CG-CD1 4.22Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.27Å; L25-I106 HydrophobicContact CB-CD1 4.46Å; L25-I106 HydrophobicContact CD2-CB 4.38Å; L25-I106 HydrophobicContact CD2-CD1 3.98Å; L25-I106 HydrophobicContact CD2-CG2 3.81Å; L25-I106 HydrophobicContact CG-CD1 4.18Å; L25-I106 HydrophobicContact CG-CG2 4.37Å
26	M	82.1	Confident	83.5	Confident	15 Å²	15	85.6 Å²	85.6	7%	0.074	47%	0.468	C	S	.	.	H	α-helix	trans	-55.7	-48.9	171	-80.7	-82.4	-51.5	0	0	111.4	I22 L28 I29 I30 I106 Y135 A162	I22-M26 HydrophobicContact CG2-CG 4.15Å; I22-M26 VanDerWaalsContact O-CB 3.31Å; I22-M26 WeakPolarHBondContact O-CB 3.41Å; I22-M26 VanDerWaalsContact O-CG 3.23Å; I22-M26 WeakPolarHBondContact O-CG 3.34Å; I22-M26 PolarHBondContact O-N 3.4Å; M26-L28 VanDerWaalsContact C-N 3.31Å; M26-L28 PolarHBondContact O-N 3.39Å; M26-I29 PolarHBondContact O-N 2.83Å; M26-I30 HydrophobicContact CE-CD1 4.14Å; M26-I30 VanDerWaalsContact O-CG1 3.31Å; M26-I30 WeakPolarHBondContact O-CG1 3.28Å; M26-I30 PolarHBondContact O-N 2.65Å; M26-I106 HydrophobicContact CG-CD1 3.97Å; M26-I106 HydrophobicContact SD-CD1 4.23Å; M26-Y135 HydrophobicContact SD-CD1 3.97Å; M26-Y135 HydrophobicContact SD-CE1 4.18Å; M26-Y135 HydrophobicContact SD-CG 4.5Å; M26-A162 VanDerWaalsContact CE-CA 3.43Å; M26-A162 HydrophobicContact CE-CB 3.19Å
27	S	83.1	Confident	83.7	Confident	58 Å²	58	81.6 Å²	81.6	41%	0.406	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-38.9	177.9	-176.7	0	0	0	0	112.2	A23 Q24 I30 N31	A23-S27 PolarHBondContact O-N 3.18Å; Q24-S27 WeakPolarHBondContact O-CB 3.39Å; Q24-S27 PolarHBondContact O-N 3.27Å; S27-I30 PolarHBondContact O-N 3.34Å; S27-N31 VanDerWaalsContact O-CB 3.25Å; S27-N31 WeakPolarHBondContact O-CB 3.37Å; S27-N31 PolarHBondContact O-N 3.41Å; S27-N31 PolarHBondContact O-ND2 3.21Å; S27-N31 VanDerWaalsContact O-ND2 3.07Å; S27-N31 PolarHBondContact OG-ND2 3.28Å; S27-N31 VanDerWaalsContact OG-ND2 3.13Å
28	L	85.1	Confident	83.9	Confident	82 Å²	82	77.7 Å²	77.7	43%	0.429	42%	0.416	S	S	.	.	H	α-helix	trans	-64.6	-47.3	174.8	-75.2	167.4	0	0	0	111.9	Q24 L25 M26 I30 N31 T32 F33	Q24-L28 WeakPolarHBondContact O-CG 3.38Å; Q24-L28 PolarHBondContact O-N 3.47Å; L25-L28 PolarHBondContact O-N 2.87Å; M26-L28 VanDerWaalsContact C-N 3.31Å; M26-L28 PolarHBondContact O-N 3.39Å; L28-I30 VanDerWaalsContact C-N 3.26Å; L28-I30 PolarHBondContact O-N 3.28Å; L28-N31 PolarHBondContact O-N 2.91Å; L28-T32 HydrophobicContact CD2-CG2 3.92Å; L28-T32 PolarHBondContact O-N 3Å; L28-T32 PolarHBondContact O-OG1 2.58Å; L28-F33 PolarHBondContact O-N 3.37Å
29	I	83	Confident	84.1	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-58.4	-41.9	178.8	-68.3	164.6	0	0	0	110.9	L25 M26 F33 I106 V132	L25-I29 HydrophobicContact CG-CD1 4.22Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.27Å; M26-I29 PolarHBondContact O-N 2.83Å; I29-F33 HydrophobicContact CB-CD2 4.3Å; I29-F33 HydrophobicContact CG1-CD2 3.93Å; I29-F33 HydrophobicContact CG1-CE2 3.69Å; I29-F33 HydrophobicContact CG1-CZ 4.29Å; I29-F33 HydrophobicContact CG2-CD2 4.41Å; I29-I106 HydrophobicContact CD1-CD1 4.31Å; I29-I106 HydrophobicContact CD1-CG2 3.66Å; I29-V132 HydrophobicContact CD1-CG1 4.24Å
30	I	82.7	Confident	84.6	Confident	20 Å²	20	58.2 Å²	58.2	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-74.6	-44.9	-179	-62.6	165.3	0	0	0	110.9	M26 S27 L28 Y138 L139 A162	M26-I30 HydrophobicContact CE-CD1 4.14Å; M26-I30 VanDerWaalsContact O-CG1 3.31Å; M26-I30 WeakPolarHBondContact O-CG1 3.28Å; M26-I30 PolarHBondContact O-N 2.65Å; S27-I30 PolarHBondContact O-N 3.34Å; L28-I30 VanDerWaalsContact C-N 3.26Å; L28-I30 PolarHBondContact O-N 3.28Å; I30-Y138 HydrophobicContact CD1-CG 4.24Å; I30-L139 HydrophobicContact CG2-CD2 4.29Å; I30-L139 WeakPolarHBondContact O-CD2 3.5Å; I30-A162 HydrophobicContact CD1-CB 4.06Å
31	N	80.2	Confident	85.2	Confident	114 Å²	114	54.7 Å²	54.7	61%	0.61	30%	0.299	S	S	*	.	H	α-helix	trans	-97.5	-18.6	-167.4	-63.2	-51	0	0	0	114.9	S27 L28	S27-N31 VanDerWaalsContact O-CB 3.25Å; S27-N31 WeakPolarHBondContact O-CB 3.37Å; S27-N31 PolarHBondContact O-N 3.41Å; S27-N31 PolarHBondContact O-ND2 3.21Å; S27-N31 VanDerWaalsContact O-ND2 3.07Å; S27-N31 PolarHBondContact OG-ND2 3.28Å; S27-N31 VanDerWaalsContact OG-ND2 3.13Å; L28-N31 PolarHBondContact O-N 2.91Å
32	T	82.4	Confident	85.7	Confident	86 Å²	86	49.3 Å²	49.3	53%	0.528	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-24.2	-171.3	70	0	0	0	0	115.1	L28	L28-T32 HydrophobicContact CD2-CG2 3.92Å; L28-T32 PolarHBondContact O-N 3Å; L28-T32 PolarHBondContact O-OG1 2.58Å
33	F	80.6	Confident	86.2	Confident	59 Å²	59	44.5 Å²	44.5	26%	0.259	25%	0.249	S	C	.	.	S	Bend	trans	-79.3	-24.9	-174.4	-76.3	13.5	0	0	0	113.7	L28 I29 I399 S400	L28-F33 PolarHBondContact O-N 3.37Å; I29-F33 HydrophobicContact CB-CD2 4.3Å; I29-F33 HydrophobicContact CG1-CD2 3.93Å; I29-F33 HydrophobicContact CG1-CE2 3.69Å; I29-F33 HydrophobicContact CG1-CZ 4.29Å; I29-F33 HydrophobicContact CG2-CD2 4.41Å; F33-I399 HydrophobicContact CD2-CD1 3.77Å; F33-I399 HydrophobicContact CD2-CG1 4.01Å; F33-I399 HydrophobicContact CD2-CG2 4.35Å; F33-I399 HydrophobicContact CE2-CD1 3.36Å; F33-I399 HydrophobicContact CE2-CG1 4.13Å; F33-I399 HydrophobicContact CG-CG2 4.44Å; F33-I399 HydrophobicContact CZ-CD1 4.09Å; F33-S400 VanDerWaalsContact O-CB 3.25Å; F33-S400 WeakPolarHBondContact O-CB 3.32Å
34	Y	84.4	Confident	87.1	Confident	17 Å²	17	42.1 Å²	42.1	7%	0.067	23%	0.228	C	C	.	.			trans	-119.7	131.7	-175.5	-59.9	-74.6	0	0	0	110.7	I39 L139	Y34-I39 HydrophobicContact CD1-CD1 3.2Å; Y34-I39 HydrophobicContact CD1-CG1 3.65Å; Y34-I39 HydrophobicContact CD2-CD1 4.02Å; Y34-I39 HydrophobicContact CE1-CD1 3.37Å; Y34-I39 HydrophobicContact CE1-CG1 4.24Å; Y34-I39 HydrophobicContact CE2-CD1 4.16Å; Y34-I39 HydrophobicContact CG-CD1 3.53Å; Y34-I39 HydrophobicContact CG-CG1 3.99Å; Y34-L139 HydrophobicContact CD2-CD1 4.01Å; Y34-L139 HydrophobicContact CG-CD1 4.13Å
35	S	81.9	Confident	87.8	Confident	107 Å²	107	36.7 Å²	36.7	75%	0.748	20%	0.203	S	C	*	.	S	Bend	trans	-86.6	-35.6	177.1	68.3	0	0	0	0	111.8	E402	S35-E402 PolarHBondContact OG-OE2 3.44Å
36	N	87.4	Confident	88.2	Confident	52 Å²	52	34 Å²	34	28%	0.278	19%	0.189	S	C	.	.			trans	-113.1	127.3	-178.6	-169.9	-18	0	0	0	110.5	E38 I39	N36-E38 VanDerWaalsContact C-N 3.29Å; N36-E38 PolarHBondContact ND2-OE1 3.31Å; N36-E38 PolarHBondContact O-N 3.17Å; N36-E38 WeakPolarHBondContact OD1-CG 3.02Å; N36-E38 PolarHBondContact OD1-N 3.5Å; N36-I39 HydrophobicContact CB-CG2 4.47Å; N36-I39 WeakPolarHBondContact O-CG1 3.34Å
37	K	92.4	Very high	88.8	Confident	79 Å²	79	35.9 Å²	35.9	34%	0.343	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.6	-179.4	-67.7	-178	177.2	176.2	0	112.9	I39 F40 L139 V140	K37-I39 PolarHBondContact O-N 3.13Å; K37-F40 VanDerWaalsContact O-CD1 3.32Å; K37-F40 WeakPolarHBondContact O-CD1 3.37Å; K37-F40 PolarHBondContact O-N 3.02Å; K37-L139 HydrophobicContact CG-CB 4.4Å; K37-V140 HydrophobicContact CB-CG1 4.09Å
38	E	92.7	Very high	89.4	Confident	8 Å²	8	33.4 Å²	33.4	4%	0.037	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.9	-173.8	83.6	-170.6	-172.7	0	0	114.1	N36 F40 L41 Y193 R198 I202 K205 H206	N36-E38 VanDerWaalsContact C-N 3.29Å; N36-E38 PolarHBondContact ND2-OE1 3.31Å; N36-E38 PolarHBondContact O-N 3.17Å; N36-E38 WeakPolarHBondContact OD1-CG 3.02Å; N36-E38 PolarHBondContact OD1-N 3.5Å; E38-F40 PolarHBondContact O-N 2.97Å; E38-L41 PolarHBondContact O-N 3.21Å; E38-Y193 HydrophobicContact CB-CE1 4.3Å; E38-R198 IonicContact OE2-CZ 3.08Å; E38-R198 IonicContact OE2-NH1 2.61Å; E38-R198 PolarHBondContact OE2-NH1 3.42Å; E38-R198 IonicContact OE2-NH2 2.72Å; E38-R198 PolarHBondContact OE2-NH2 2.86Å; E38-I202 HydrophobicContact CB-CD1 4.03Å; E38-I202 HydrophobicContact CB-CG1 4.1Å; E38-K205 WeakPolarHBondContact OE1-CE 3.47Å; E38-K205 IonicContact OE1-NZ 3.95Å; E38-K205 PolarHBondContact OE1-NZ 3.31Å; E38-H206 IonicContact OE1-CE1 3.28Å; E38-H206 IonicContact OE1-NE2 3.79Å; E38-H206 PolarHBondContact OE1-NE2 2.92Å
39	I	91.4	Very high	89.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-18.2	178.9	64.7	91.3	0	0	0	113.2	Y34 N36 K37 L41 R42 E43 S136 L139 E402	Y34-I39 HydrophobicContact CD1-CD1 3.2Å; Y34-I39 HydrophobicContact CD1-CG1 3.65Å; Y34-I39 HydrophobicContact CD2-CD1 4.02Å; Y34-I39 HydrophobicContact CE1-CD1 3.37Å; Y34-I39 HydrophobicContact CE1-CG1 4.24Å; Y34-I39 HydrophobicContact CE2-CD1 4.16Å; Y34-I39 HydrophobicContact CG-CD1 3.53Å; Y34-I39 HydrophobicContact CG-CG1 3.99Å; N36-I39 HydrophobicContact CB-CG2 4.47Å; N36-I39 WeakPolarHBondContact O-CG1 3.34Å; K37-I39 PolarHBondContact O-N 3.13Å; I39-L41 PolarHBondContact O-N 3.31Å; I39-R42 WeakPolarHBondContact O-CB 3.28Å; I39-R42 PolarHBondContact O-N 2.55Å; I39-R42 VanDerWaalsContact O-N 3.09Å; I39-E43 HydrophobicContact CD1-CG 4.13Å; I39-E43 PolarHBondContact O-N 3.11Å; I39-S136 VanDerWaalsContact CD1-CB 3.5Å; I39-L139 HydrophobicContact CD1-CD1 3.83Å; I39-L139 HydrophobicContact CG1-CD1 4.1Å; I39-E402 WeakPolarHBondContact CG2-OE1 3.32Å
40	F	94.9	Very high	90.2	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-55.3	-42.3	179.3	83.2	-84.3	0	0	0	111.1	K37 E38 E43 L44 L85 V140 L184 Y193	K37-F40 VanDerWaalsContact O-CD1 3.32Å; K37-F40 WeakPolarHBondContact O-CD1 3.37Å; K37-F40 PolarHBondContact O-N 3.02Å; E38-F40 PolarHBondContact O-N 2.97Å; F40-E43 PolarHBondContact O-N 2.89Å; F40-L44 HydrophobicContact CD2-CD1 4.03Å; F40-L44 VanDerWaalsContact O-CG 3.27Å; F40-L44 WeakPolarHBondContact O-CG 3.4Å; F40-L44 PolarHBondContact O-N 3.15Å; F40-L85 HydrophobicContact CE2-CD2 3.92Å; F40-L85 HydrophobicContact CZ-CD2 3.98Å; F40-V140 HydrophobicContact CB-CG2 4.31Å; F40-V140 HydrophobicContact CD1-CB 4.41Å; F40-V140 HydrophobicContact CD1-CG1 3.78Å; F40-V140 HydrophobicContact CD1-CG2 3.72Å; F40-V140 HydrophobicContact CD2-CG2 3.72Å; F40-V140 HydrophobicContact CE1-CG1 4.05Å; F40-V140 HydrophobicContact CE1-CG2 3.93Å; F40-V140 HydrophobicContact CE2-CG2 3.94Å; F40-V140 HydrophobicContact CG-CG1 4.38Å; F40-V140 HydrophobicContact CG-CG2 3.61Å; F40-V140 HydrophobicContact CZ-CG2 4.03Å; F40-L184 HydrophobicContact CD2-CD1 3.78Å; F40-L184 HydrophobicContact CE2-CD1 3.56Å; F40-Y193 AromaticContact CE1-CD1 3.53Å; F40-Y193 HydrophobicContact CE1-CD1 3.53Å; F40-Y193 HydrophobicContact CE1-CD2 4.23Å; F40-Y193 AromaticContact CE1-CE1 3.71Å; F40-Y193 HydrophobicContact CE1-CE1 3.71Å; F40-Y193 HydrophobicContact CE1-CE2 4.43Å; F40-Y193 AromaticContact CE1-CG 3.81Å; F40-Y193 HydrophobicContact CE1-CG 3.81Å; F40-Y193 AromaticContact CZ-CD1 3.96Å; F40-Y193 HydrophobicContact CZ-CD1 3.96Å; F40-Y193 AromaticContact CZ-CG 3.99Å; F40-Y193 HydrophobicContact CZ-CG 3.99Å
41	L	95.4	Very high	90.7	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-71.5	-35.9	-178.8	-169.9	60.9	0	0	0	111.1	E38 I39 L44 I45 I76 V199 I202 V203	E38-L41 PolarHBondContact O-N 3.21Å; I39-L41 PolarHBondContact O-N 3.31Å; L41-L44 PolarHBondContact O-N 3.16Å; L41-I45 HydrophobicContact CD1-CD1 4.11Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CD2-CD1 4.47Å; L41-I45 HydrophobicContact CG-CD1 3.8Å; L41-I45 HydrophobicContact CG-CG1 4.39Å; L41-I45 WeakPolarHBondContact O-CB 3.48Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.45Å; L41-I45 PolarHBondContact O-N 2.89Å; L41-I76 HydrophobicContact CD1-CD1 4.39Å; L41-V199 HydrophobicContact CD2-CG1 4.15Å; L41-I202 HydrophobicContact CB-CG2 3.95Å; L41-I202 HydrophobicContact CD2-CB 4.24Å; L41-I202 HydrophobicContact CD2-CG2 3.92Å; L41-I202 HydrophobicContact CG-CG2 4.39Å; L41-V203 HydrophobicContact CD2-CG2 3.83Å
42	R	94.3	Very high	91.4	Very high	2 Å²	2	24 Å²	24	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-49.2	171.7	178.4	-167.7	75.4	-166.1	-0.9	110.9	I39 S46 H206 V369 S400	I39-R42 WeakPolarHBondContact O-CB 3.28Å; I39-R42 PolarHBondContact O-N 2.55Å; I39-R42 VanDerWaalsContact O-N 3.09Å; R42-S46 VanDerWaalsContact O-CB 3.3Å; R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 3.47Å; R42-S46 PolarHBondContact O-OG 3.35Å; R42-H206 HydrophobicContact CB-CB 3.85Å; R42-H206 HydrophobicContact CG-CB 3.89Å; R42-V369 HydrophobicContact CG-CG1 4.04Å; R42-S400 PolarHBondContact NH2-O 2.92Å
43	E	93.3	Very high	91.8	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-42.9	-178.8	-66	-55.9	131.3	0	0	111.6	I39 F40 S46 N47 R401	I39-E43 HydrophobicContact CD1-CG 4.13Å; I39-E43 PolarHBondContact O-N 3.11Å; F40-E43 PolarHBondContact O-N 2.89Å; E43-S46 PolarHBondContact O-N 3.07Å; E43-N47 PolarHBondContact O-N 2.95Å; E43-N47 PolarHBondContact O-ND2 3.39Å; E43-R401 IonicContact OE2-NH1 3.58Å
44	L	95.8	Very high	92.3	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-67.1	-42	179.3	-66.8	175.6	0	0	0	112.6	F40 L41 S46 N47 S48 L87 F134 V182 L184	F40-L44 HydrophobicContact CD2-CD1 4.03Å; F40-L44 VanDerWaalsContact O-CG 3.27Å; F40-L44 WeakPolarHBondContact O-CG 3.4Å; F40-L44 PolarHBondContact O-N 3.15Å; L41-L44 PolarHBondContact O-N 3.16Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-N47 PolarHBondContact O-N 3.13Å; L44-S48 WeakPolarHBondContact O-CB 3.47Å; L44-S48 PolarHBondContact O-N 3.49Å; L44-S48 PolarHBondContact O-OG 3.05Å; L44-L87 HydrophobicContact CB-CD2 3.52Å; L44-F134 HydrophobicContact CD2-CD2 4.2Å; L44-V182 HydrophobicContact CD2-CG1 4.37Å; L44-L184 HydrophobicContact CD1-CD1 3.77Å; L44-L184 HydrophobicContact CD1-CD2 4.24Å; L44-L184 HydrophobicContact CD1-CG 4.43Å
45	I	95.8	Very high	92.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-64.6	-39.9	173.8	-68.5	170.2	0	0	0	110.5	L41 N47 S48 S49 I74 I76 L87 V203 I210 I214	L41-I45 HydrophobicContact CD1-CD1 4.11Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CD2-CD1 4.47Å; L41-I45 HydrophobicContact CG-CD1 3.8Å; L41-I45 HydrophobicContact CG-CG1 4.39Å; L41-I45 WeakPolarHBondContact O-CB 3.48Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.45Å; L41-I45 PolarHBondContact O-N 2.89Å; I45-N47 PolarHBondContact O-N 3.35Å; I45-S48 WeakPolarHBondContact O-CB 3.48Å; I45-S48 PolarHBondContact O-N 3.41Å; I45-S49 PolarHBondContact O-N 3.17Å; I45-I74 HydrophobicContact CG2-CD1 4.03Å; I45-I76 HydrophobicContact CD1-CD1 4.2Å; I45-L87 HydrophobicContact CG1-CD1 4.42Å; I45-V203 HydrophobicContact CD1-CG2 3.91Å; I45-I210 HydrophobicContact CG2-CG1 4.09Å; I45-I214 HydrophobicContact CG2-CD1 3.82Å
46	S	92.9	Very high	93.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.1	-43.8	176.9	-59.5	0	0	0	0	111.6	R42 E43 L44 S48 S49 D50	R42-S46 VanDerWaalsContact O-CB 3.3Å; R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 3.47Å; R42-S46 PolarHBondContact O-OG 3.35Å; E43-S46 PolarHBondContact O-N 3.07Å; L44-S46 VanDerWaalsContact C-N 3.33Å; S46-S48 VanDerWaalsContact C-N 3.32Å; S46-S48 PolarHBondContact O-N 3.27Å; S46-S49 PolarHBondContact O-N 3.35Å; S46-D50 PolarHBondContact O-N 3.11Å
47	N	94	Very high	93.3	Very high	54 Å²	54	19 Å²	19	29%	0.289	9%	0.086	S	C	.	.	H	α-helix	trans	-63.6	-38.8	175.6	-67.7	-24.5	0	0	0	112	E43 L44 I45 D50 A51	E43-N47 PolarHBondContact O-N 2.95Å; E43-N47 PolarHBondContact O-ND2 3.39Å; L44-N47 PolarHBondContact O-N 3.13Å; I45-N47 PolarHBondContact O-N 3.35Å; N47-D50 PolarHBondContact O-N 3.34Å; N47-A51 PolarHBondContact O-N 3.45Å
48	S	95.7	Very high	93.1	Very high	5 Å²	5	17.5 Å²	17.5	4%	0.035	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-43.4	175.9	-57.4	0	0	0	0	111.1	L44 I45 S46 A51 L52 L87	L44-S48 WeakPolarHBondContact O-CB 3.47Å; L44-S48 PolarHBondContact O-N 3.49Å; L44-S48 PolarHBondContact O-OG 3.05Å; I45-S48 WeakPolarHBondContact O-CB 3.48Å; I45-S48 PolarHBondContact O-N 3.41Å; S46-S48 VanDerWaalsContact C-N 3.32Å; S46-S48 PolarHBondContact O-N 3.27Å; S48-A51 PolarHBondContact O-N 2.92Å; S48-L52 VanDerWaalsContact O-CG 3.31Å; S48-L52 WeakPolarHBondContact O-CG 3.34Å; S48-L52 PolarHBondContact O-N 3.34Å; S48-L87 WeakPolarHBondContact OG-CD2 3.4Å
49	S	93.6	Very high	92.9	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.1	-170.1	0	0	0	0	111.8	I45 S46 A51 L52 D53	I45-S49 PolarHBondContact O-N 3.17Å; S46-S49 PolarHBondContact O-N 3.35Å; S49-A51 VanDerWaalsContact C-N 3.26Å; S49-A51 PolarHBondContact O-N 2.78Å; S49-L52 PolarHBondContact O-N 3.48Å; S49-L52 VanDerWaalsContact O-N 3.14Å; S49-D53 PolarHBondContact O-N 3.23Å
50	D	92.3	Very high	92.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-38.3	176.6	-75.8	-11.9	0	0	0	111.5	S46 N47 D53 K54 T111 M126 I127 G128	S46-D50 PolarHBondContact O-N 3.11Å; N47-D50 PolarHBondContact O-N 3.34Å; D50-D53 PolarHBondContact O-N 2.92Å; D50-K54 WeakPolarHBondContact O-CG 3.38Å; D50-K54 PolarHBondContact O-N 3.33Å; D50-T111 HydrophobicContact CB-CG2 4.38Å; D50-T111 WeakPolarHBondContact OD2-CG2 3.38Å; D50-M126 WeakPolarHBondContact OD1-CA 3.43Å; D50-I127 PolarHBondContact OD1-N 2.74Å; D50-G128 WeakPolarHBondContact OD2-CA 3.28Å; D50-G128 PolarHBondContact OD2-N 3.03Å
51	A	94.3	Very high	92.4	Very high	15 Å²	15	28.6 Å²	28.6	12%	0.124	14%	0.144	C	C	.	.	H	α-helix	trans	-68.5	-35.5	177.1	0	0	0	0	0	112.7	N47 S48 S49 I55 G91 I92	N47-A51 PolarHBondContact O-N 3.45Å; S48-A51 PolarHBondContact O-N 2.92Å; S49-A51 VanDerWaalsContact C-N 3.26Å; S49-A51 PolarHBondContact O-N 2.78Å; A51-I55 PolarHBondContact O-N 3.5Å; A51-G91 WeakPolarHBondContact O-CA 3.42Å; A51-I92 PolarHBondContact O-N 3.46Å; A51-I92 VanDerWaalsContact O-N 3.1Å
52	L	94.3	Very high	92.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.2	-37.5	174	-68	166.5	0	0	0	111.9	S48 S49 I55 R56 L72 I74 Y212	S48-L52 VanDerWaalsContact O-CG 3.31Å; S48-L52 WeakPolarHBondContact O-CG 3.34Å; S48-L52 PolarHBondContact O-N 3.34Å; S49-L52 PolarHBondContact O-N 3.48Å; S49-L52 VanDerWaalsContact O-N 3.14Å; L52-I55 VanDerWaalsContact O-CG2 3.23Å; L52-I55 WeakPolarHBondContact O-CG2 3.43Å; L52-R56 VanDerWaalsContact O-CB 3.23Å; L52-R56 WeakPolarHBondContact O-CB 3.49Å; L52-R56 PolarHBondContact O-N 2.85Å; L52-L72 HydrophobicContact CD2-CB 3.95Å; L52-L72 HydrophobicContact CD2-CD2 3.92Å; L52-I74 HydrophobicContact CD1-CD1 4.06Å; L52-I74 HydrophobicContact CD1-CG1 3.59Å; L52-Y212 VanDerWaalsContact C-OH 3.27Å; L52-Y212 HydrophobicContact CB-CD1 4.08Å; L52-Y212 HydrophobicContact CB-CD2 3.82Å; L52-Y212 HydrophobicContact CB-CE1 3.81Å; L52-Y212 HydrophobicContact CB-CE2 3.56Å; L52-Y212 HydrophobicContact CB-CG 4.06Å; L52-Y212 HydrophobicContact CD1-CD1 4.01Å; L52-Y212 HydrophobicContact CD1-CD2 3.85Å; L52-Y212 HydrophobicContact CD1-CE2 4.46Å; L52-Y212 HydrophobicContact CD1-CG 3.59Å; L52-Y212 HydrophobicContact CG-CD2 4.5Å; L52-Y212 HydrophobicContact CG-CG 4.43Å; L52-Y212 PolarHBondContact O-OH 3.03Å
53	D	91.2	Very high	92	Very high	14 Å²	14	35.9 Å²	35.9	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-38	174.8	-82.8	-50.1	0	0	0	111.7	S49 D50 R56 Y57 I124 M126 Y212	S49-D53 PolarHBondContact O-N 3.23Å; D50-D53 PolarHBondContact O-N 2.92Å; D53-R56 PolarHBondContact O-N 2.95Å; D53-Y57 PolarHBondContact O-N 3.39Å; D53-I124 HydrophobicContact CB-CG2 4.43Å; D53-M126 HydrophobicContact CB-CE 4.39Å; D53-Y212 WeakPolarHBondContact CA-OH 3.2Å; D53-Y212 PolarHBondContact N-OH 3.44Å; D53-Y212 PolarHBondContact OD1-OH 2.64Å
54	K	91.1	Very high	91.9	Very high	30 Å²	30	38.5 Å²	38.5	13%	0.13	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-53.1	174.3	-75	172.2	-169.4	174.4	0	112.2	D50 R56 Y57 E58 I92 T111 F114 M126	D50-K54 WeakPolarHBondContact O-CG 3.38Å; D50-K54 PolarHBondContact O-N 3.33Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 2.94Å; K54-Y57 PolarHBondContact O-N 2.61Å; K54-E58 PolarHBondContact O-N 2.87Å; K54-I92 HydrophobicContact CB-CB 4.23Å; K54-I92 HydrophobicContact CB-CD1 4.23Å; K54-I92 HydrophobicContact CB-CG2 3.91Å; K54-I92 HydrophobicContact CD-CG2 4.07Å; K54-T111 PolarHBondContact NZ-OG1 3.15Å; K54-F114 HydrophobicContact CB-CE1 4.49Å; K54-F114 HydrophobicContact CB-CE2 4.5Å; K54-F114 HydrophobicContact CB-CZ 4.23Å; K54-F114 HydrophobicContact CD-CG 4.47Å; K54-F114 HydrophobicContact CG-CD1 4.01Å; K54-F114 HydrophobicContact CG-CD2 4.25Å; K54-F114 HydrophobicContact CG-CE1 3.93Å; K54-F114 HydrophobicContact CG-CE2 4.22Å; K54-F114 HydrophobicContact CG-CG 4.13Å; K54-F114 HydrophobicContact CG-CZ 4.04Å; K54-M126 HydrophobicContact CG-CE 3.59Å; K54-M126 HydrophobicContact CG-SD 4.22Å
55	I	93.1	Very high	91.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-36	-179.8	-170.8	65.5	0	0	0	111.6	A51 L52 Y57 E58 S59 K65 L66 L72 I92	A51-I55 PolarHBondContact O-N 3.5Å; L52-I55 VanDerWaalsContact O-CG2 3.23Å; L52-I55 WeakPolarHBondContact O-CG2 3.43Å; I55-Y57 VanDerWaalsContact C-N 3.32Å; I55-Y57 PolarHBondContact O-N 2.96Å; I55-E58 PolarHBondContact O-N 2.8Å; I55-S59 WeakPolarHBondContact O-CB 3.44Å; I55-S59 PolarHBondContact O-N 3.11Å; I55-K65 HydrophobicContact CD1-CB 4.07Å; I55-L66 HydrophobicContact CG1-CD2 3.82Å; I55-L72 HydrophobicContact CG2-CD2 3.72Å; I55-I92 HydrophobicContact CB-CB 4.04Å; I55-I92 HydrophobicContact CD1-CG1 4.36Å
56	R	91.1	Very high	91.5	Very high	117 Å²	117	41.9 Å²	41.9	44%	0.442	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-45.7	173.9	178.7	176.7	169.2	-110.6	-5.5	110.3	L52 D53 K54 S59 L60 L72 Y212	L52-R56 VanDerWaalsContact O-CB 3.23Å; L52-R56 WeakPolarHBondContact O-CB 3.49Å; L52-R56 PolarHBondContact O-N 2.85Å; D53-R56 PolarHBondContact O-N 2.95Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 2.94Å; R56-S59 PolarHBondContact O-N 3.25Å; R56-S59 PolarHBondContact O-OG 3.3Å; R56-L60 WeakPolarHBondContact O-CG 3.11Å; R56-L60 PolarHBondContact O-N 2.97Å; R56-L72 HydrophobicContact CB-CD1 4.14Å; R56-Y212 WeakPolarHBondContact CD-OH 3.32Å
57	Y	88.7	Confident	91.3	Very high	56 Å²	56	49.5 Å²	49.5	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-50.1	176.3	-179.7	-107	0	0	0	113	D53 K54 I55 S59 L60 T61 F114 L118 A122 I124	D53-Y57 PolarHBondContact O-N 3.39Å; K54-Y57 PolarHBondContact O-N 2.61Å; I55-Y57 VanDerWaalsContact C-N 3.32Å; I55-Y57 PolarHBondContact O-N 2.96Å; Y57-S59 PolarHBondContact O-N 3.22Å; Y57-L60 HydrophobicContact CD2-CD1 4.5Å; Y57-L60 WeakPolarHBondContact O-CB 3.45Å; Y57-L60 PolarHBondContact O-N 2.82Å; Y57-T61 PolarHBondContact O-N 3.02Å; Y57-F114 HydrophobicContact CD1-CE1 4.22Å; Y57-F114 AromaticContact CD1-CZ 3.71Å; Y57-F114 HydrophobicContact CD1-CZ 3.71Å; Y57-F114 HydrophobicContact CE1-CZ 4.49Å; Y57-F114 HydrophobicContact CG-CZ 4.36Å; Y57-L118 HydrophobicContact CD1-CD2 3.62Å; Y57-L118 HydrophobicContact CD2-CD2 4.28Å; Y57-L118 HydrophobicContact CE1-CD2 3.12Å; Y57-L118 HydrophobicContact CE2-CD2 3.82Å; Y57-L118 HydrophobicContact CG-CD2 4.13Å; Y57-L118 WeakPolarHBondContact OH-CD2 3.38Å; Y57-A122 HydrophobicContact CD2-CB 4.22Å; Y57-A122 HydrophobicContact CE2-CB 3.52Å; Y57-I124 VanDerWaalsContact CB-CD1 3.44Å; Y57-I124 HydrophobicContact CD1-CD1 4.28Å; Y57-I124 HydrophobicContact CD2-CD1 3.16Å; Y57-I124 HydrophobicContact CD2-CG1 4.31Å; Y57-I124 HydrophobicContact CE2-CD1 3.86Å; Y57-I124 HydrophobicContact CG-CD1 3.34Å
58	E	88.6	Confident	90.9	Very high	47 Å²	47	49.2 Å²	49.2	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-36.3	178.6	-71.8	-166.2	174.8	0	0	111.2	K54 I55 L60 T61 D62 I92	K54-E58 PolarHBondContact O-N 2.87Å; I55-E58 PolarHBondContact O-N 2.8Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 3.24Å; E58-T61 CarbonylContact O-C 3.58Å; E58-T61 PolarHBondContact O-N 3Å; E58-T61 VanDerWaalsContact O-N 3.1Å; E58-T61 PolarHBondContact O-OG1 2.82Å; E58-D62 PolarHBondContact O-N 3.48Å; E58-I92 VanDerWaalsContact CD-CD1 3.47Å; E58-I92 HydrophobicContact CG-CD1 4.42Å; E58-I92 WeakPolarHBondContact OE1-CD1 3.32Å
59	S	90	Very high	90.5	Very high	17 Å²	17	50.2 Å²	50.2	12%	0.119	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-24.6	176.6	80.7	0	0	0	0	114.8	I55 R56 Y57 T61 D62 L66	I55-S59 WeakPolarHBondContact O-CB 3.44Å; I55-S59 PolarHBondContact O-N 3.11Å; R56-S59 PolarHBondContact O-N 3.25Å; R56-S59 PolarHBondContact O-OG 3.3Å; Y57-S59 PolarHBondContact O-N 3.22Å; S59-T61 VanDerWaalsContact C-N 3.29Å; S59-D62 WeakPolarHBondContact CA-O 3.11Å; S59-D62 CarbonylContact O-C 3.56Å; S59-L66 VanDerWaalsContact CB-CD1 3.43Å; S59-L66 VanDerWaalsContact CB-CG 3.49Å
60	L	87.5	Confident	90.4	Very high	125 Å²	125	58 Å²	58	65%	0.654	31%	0.305	S	S	*	.	H	α-helix	trans	-70.4	-31.9	173.4	-64.7	174.1	0	0	0	111	R56 Y57 E58	R56-L60 WeakPolarHBondContact O-CG 3.11Å; R56-L60 PolarHBondContact O-N 2.97Å; Y57-L60 HydrophobicContact CD2-CD1 4.5Å; Y57-L60 WeakPolarHBondContact O-CB 3.45Å; Y57-L60 PolarHBondContact O-N 2.82Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 3.24Å
61	T	86.4	Confident	90.4	Very high	101 Å²	101	63.3 Å²	63.3	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-86.9	-35.5	176.1	55.2	0	0	0	0	112.9	Y57 E58 S59	Y57-T61 PolarHBondContact O-N 3.02Å; E58-T61 CarbonylContact O-C 3.58Å; E58-T61 PolarHBondContact O-N 3Å; E58-T61 VanDerWaalsContact O-N 3.1Å; E58-T61 PolarHBondContact O-OG1 2.82Å; S59-T61 VanDerWaalsContact C-N 3.29Å
62	D	89.5	Confident	90.4	Very high	62 Å²	62	64.5 Å²	64.5	33%	0.332	34%	0.338	S	S	.	.			trans	-143.6	95.6	-178.1	-179.3	3.6	0	0	0	110.8	E58 S59 S64 K65	E58-D62 PolarHBondContact O-N 3.48Å; S59-D62 WeakPolarHBondContact CA-O 3.11Å; S59-D62 CarbonylContact O-C 3.56Å; D62-S64 PolarHBondContact O-N 3.48Å; D62-S64 VanDerWaalsContact O-N 3.08Å; D62-S64 WeakPolarHBondContact OD1-CB 3.41Å; D62-S64 PolarHBondContact OD1-N 2.91Å; D62-S64 PolarHBondContact OD1-OG 3.36Å; D62-S64 PolarHBondContact OD2-OG 3.19Å; D62-S64 VanDerWaalsContact OD2-OG 3.14Å; D62-K65 HydrophobicContact CB-CG 4.13Å; D62-K65 WeakPolarHBondContact O-CB 3.29Å; D62-K65 PolarHBondContact O-N 3.38Å
63	P	92	Very high	90.5	Very high	97 Å²	97	67.3 Å²	67.3	63%	0.63	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-59.2	-20.9	-179.8	-27.2	35.9	0	0	0	115	K65 L66	P63-K65 PolarHBondContact O-N 3.28Å; P63-L66 PolarHBondContact O-N 3.45Å
64	S	92.3	Very high	90.8	Very high	57 Å²	57	66.7 Å²	66.7	40%	0.399	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-65.2	-23.3	180	73.5	0	0	0	0	112.5	D62 L66 E67	D62-S64 PolarHBondContact O-N 3.48Å; D62-S64 VanDerWaalsContact O-N 3.08Å; D62-S64 WeakPolarHBondContact OD1-CB 3.41Å; D62-S64 PolarHBondContact OD1-N 2.91Å; D62-S64 PolarHBondContact OD1-OG 3.36Å; D62-S64 PolarHBondContact OD2-OG 3.19Å; D62-S64 VanDerWaalsContact OD2-OG 3.14Å; S64-L66 PolarHBondContact O-N 3.37Å; S64-L66 VanDerWaalsContact O-N 3.09Å; S64-E67 WeakPolarHBondContact O-CB 3.29Å; S64-E67 WeakPolarHBondContact O-CG 3.38Å; S64-E67 PolarHBondContact O-N 2.67Å
65	K	90.6	Very high	91.1	Very high	44 Å²	44	67 Å²	67	19%	0.191	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19.4	177.2	-66.5	-71.5	-176.9	171.2	0	113.7	I55 D62 P63 N151 D152 R178	I55-K65 HydrophobicContact CD1-CB 4.07Å; D62-K65 HydrophobicContact CB-CG 4.13Å; D62-K65 WeakPolarHBondContact O-CB 3.29Å; D62-K65 PolarHBondContact O-N 3.38Å; P63-K65 PolarHBondContact O-N 3.28Å; K65-N151 PolarHBondContact O-ND2 3.18Å; K65-D152 IonicContact NZ-OD1 3.84Å; K65-D152 PolarHBondContact NZ-OD1 3.35Å; K65-D152 IonicContact NZ-OD2 3.73Å; K65-R178 PolarHBondContact O-NH1 3.39Å
66	L	92.1	Very high	91.3	Very high	34 Å²	34	67 Å²	67	18%	0.178	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-92.4	-2.4	176.1	-68.5	178.6	0	0	0	114.8	I55 S59 P63 S64 S68 G69 K70 L72	I55-L66 HydrophobicContact CG1-CD2 3.82Å; S59-L66 VanDerWaalsContact CB-CD1 3.43Å; S59-L66 VanDerWaalsContact CB-CG 3.49Å; P63-L66 PolarHBondContact O-N 3.45Å; S64-L66 PolarHBondContact O-N 3.37Å; S64-L66 VanDerWaalsContact O-N 3.09Å; L66-S68 PolarHBondContact O-N 2.72Å; L66-G69 CarbonylContact O-C 3.58Å; L66-G69 PolarHBondContact O-N 2.58Å; L66-K70 PolarHBondContact O-N 2.97Å; L66-L72 HydrophobicContact CD2-CD2 4.27Å
67	E	89.1	Confident	91.5	Very high	160 Å²	160	67.7 Å²	67.7	75%	0.748	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-30.4	-180	-70.8	-177.9	177.2	0	0	112.7	S64 G69	S64-E67 WeakPolarHBondContact O-CB 3.29Å; S64-E67 WeakPolarHBondContact O-CG 3.38Å; S64-E67 PolarHBondContact O-N 2.67Å; E67-G69 PolarHBondContact O-N 2.95Å
68	S	85.2	Confident	91.8	Very high	48 Å²	48	66.3 Å²	66.3	34%	0.336	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.5	175	55.1	0	0	0	0	114.4	L66 N151 R178	L66-S68 PolarHBondContact O-N 2.72Å; S68-N151 WeakPolarHBondContact CB-OD1 3.32Å; S68-N151 PolarHBondContact OG-OD1 3.4Å; S68-R178 PolarHBondContact OG-NH1 3.03Å
69	G	87.8	Confident	92	Very high	26 Å²	26	66 Å²	66	27%	0.268	35%	0.349	S	S	.	.			trans	167	112.8	178	0	0	0	0	0	111.4	L66 E67 R178	L66-G69 CarbonylContact O-C 3.58Å; L66-G69 PolarHBondContact O-N 2.58Å; E67-G69 PolarHBondContact O-N 2.95Å; G69-R178 PolarHBondContact O-NH1 3.38Å; G69-R178 PolarHBondContact O-NH2 2.82Å
70	K	90.2	Very high	92.1	Very high	166 Å²	166	72.2 Å²	72.2	72%	0.722	37%	0.374	S	S	*	.			trans	-84.8	-26.9	-177.9	-66.5	-175.1	-179.7	-179.4	0	113.3	L66	L66-K70 PolarHBondContact O-N 2.97Å
71	D	92.6	Very high	92.2	Very high	114 Å²	114	74.5 Å²	74.5	61%	0.61	38%	0.381	S	S	*	.			trans	-77.2	127.3	-177.3	-60.4	-33.2	0	0	0	110.5	T90	D71-T90 VanDerWaalsContact O-CB 3.29Å; D71-T90 WeakPolarHBondContact O-CB 3.18Å; D71-T90 PolarHBondContact O-OG1 3.3Å
72	L	95.5	Very high	92.5	Very high	39 Å²	39	76 Å²	76	20%	0.204	38%	0.381	C	S	.	.			trans	-109.1	101.3	177.8	-61.8	-175.3	0	0	0	109	L52 I55 R56 L66 T90 Y212 P213	L52-L72 HydrophobicContact CD2-CB 3.95Å; L52-L72 HydrophobicContact CD2-CD2 3.92Å; I55-L72 HydrophobicContact CG2-CD2 3.72Å; R56-L72 HydrophobicContact CB-CD1 4.14Å; L66-L72 HydrophobicContact CD2-CD2 4.27Å; L72-T90 WeakPolarHBondContact CA-OG1 3.37Å; L72-Y212 HydrophobicContact CB-CD1 3.8Å; L72-Y212 HydrophobicContact CB-CE1 3.81Å; L72-Y212 HydrophobicContact CD1-CE1 3.88Å; L72-Y212 HydrophobicContact CG-CE1 4.49Å; L72-P213 WeakPolarHBondContact O-CD 3.28Å
73	K	95.9	Very high	92.8	Very high	60 Å²	60	78.2 Å²	78.2	26%	0.261	39%	0.385	S	S	.	.			trans	-151.9	165.5	-172.4	58.4	175.3	172.8	168	0	112.4	E75 T90	K73-E75 HydrophobicContact CD-CG 4.23Å; K73-E75 WeakPolarHBondContact CE-OE1 3.31Å; K73-E75 HydrophobicContact CG-CG 4.5Å; K73-E75 IonicContact NZ-OE1 2.66Å; K73-E75 PolarHBondContact NZ-OE1 3.33Å; K73-T90 HydrophobicContact CG-CG2 4.09Å; K73-T90 PolarHBondContact N-OG1 3.01Å; K73-T90 PolarHBondContact O-N 2.95Å; K73-T90 PolarHBondContact O-OG1 3.43Å
74	I	97.4	Very high	93.1	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.1	175.5	-54.4	172.8	0	0	0	108.2	I45 L52 L87 T88 I210 P213 I214 T215	I45-I74 HydrophobicContact CG2-CD1 4.03Å; L52-I74 HydrophobicContact CD1-CD1 4.06Å; L52-I74 HydrophobicContact CD1-CG1 3.59Å; I74-L87 HydrophobicContact CG2-CD1 3.61Å; I74-L87 HydrophobicContact CG2-CG 4.25Å; I74-T88 CarbonylContact C-O 3.55Å; I74-T88 WeakPolarHBondContact CA-O 3.42Å; I74-I210 HydrophobicContact CD1-CG2 4.43Å; I74-P213 PolarHBondContact N-O 2.92Å; I74-I214 HydrophobicContact CB-CG1 4.35Å; I74-I214 HydrophobicContact CD1-CG1 4.38Å; I74-I214 CarbonylContact O-C 3.6Å; I74-I214 WeakPolarHBondContact O-CA 3.42Å; I74-T215 PolarHBondContact O-N 2.83Å; I74-T215 PolarHBondContact O-OG1 2.92Å
75	E	97.1	Very high	93.3	Very high	37 Å²	37	71.1 Å²	71.1	17%	0.173	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	-177	-56.9	-169.2	151.5	0	0	110.8	K73 L87 T88 T215 F217	K73-E75 HydrophobicContact CD-CG 4.23Å; K73-E75 WeakPolarHBondContact CE-OE1 3.31Å; K73-E75 HydrophobicContact CG-CG 4.5Å; K73-E75 IonicContact NZ-OE1 2.66Å; K73-E75 PolarHBondContact NZ-OE1 3.33Å; E75-L87 CarbonylContact O-C 3.59Å; E75-L87 WeakPolarHBondContact O-CA 3.03Å; E75-T88 PolarHBondContact N-O 3.24Å; E75-T88 PolarHBondContact O-N 3.39Å; E75-T215 WeakPolarHBondContact CA-O 3.1Å; E75-F217 HydrophobicContact CB-CD2 4.41Å; E75-F217 HydrophobicContact CB-CE2 3.77Å; E75-F217 HydrophobicContact CG-CE2 3.93Å; E75-F217 HydrophobicContact CG-CZ 4.49Å
76	I	97.4	Very high	93.6	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.8	176.5	-56.7	167.2	0	0	0	108.2	L41 I45 L85 L87 V199 V203 I214 T215 L216 F217	L41-I76 HydrophobicContact CD1-CD1 4.39Å; I45-I76 HydrophobicContact CD1-CD1 4.2Å; I76-L85 HydrophobicContact CG2-CD1 3.77Å; I76-L87 HydrophobicContact CD1-CD1 4.38Å; I76-L87 HydrophobicContact CG1-CD1 3.47Å; I76-L87 VanDerWaalsContact CG1-CD1 3.47Å; I76-V199 HydrophobicContact CD1-CG1 4.26Å; I76-V199 HydrophobicContact CG2-CG1 4.1Å; I76-V203 HydrophobicContact CD1-CG2 3.86Å; I76-I214 HydrophobicContact CD1-CG2 3.77Å; I76-I214 HydrophobicContact CG1-CG2 4.43Å; I76-T215 PolarHBondContact N-O 2.94Å; I76-L216 HydrophobicContact CB-CD1 3.92Å; I76-L216 HydrophobicContact CG2-CD1 3.77Å; I76-F217 PolarHBondContact O-N 2.99Å
77	R	95.9	Very high	93.9	Very high	132 Å²	132	68.5 Å²	68.5	50%	0.498	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	102.6	178.8	-172.9	173	179.8	-174.9	-1.8	110.7	T86 F217	R77-T86 PolarHBondContact N-O 3.01Å; R77-T86 PolarHBondContact O-N 3.18Å; R77-F217 HydrophobicContact CB-CB 4.2Å; R77-F217 HydrophobicContact CG-CB 4.06Å
78	P	94.9	Very high	94.3	Very high	26 Å²	26	62.3 Å²	62.3	17%	0.169	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138.8	167.5	-15.1	30.7	0	0	0	110.6	L85 L194 L216 F217	P78-L85 HydrophobicContact CB-CD1 4.12Å; P78-L85 HydrophobicContact CG-CD1 3.97Å; P78-L194 HydrophobicContact CB-CB 4.48Å; P78-L194 HydrophobicContact CB-CD2 4.06Å; P78-L216 HydrophobicContact CG-CD1 4.04Å; P78-F217 WeakPolarHBondContact CD-O 3.39Å
79	N	93.4	Very high	94.9	Very high	42 Å²	42	60.5 Å²	60.5	23%	0.225	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	108.4	169.5	-177.4	-10.4	0	0	0	108.8	E81 E82 R83 T84	N79-E81 PolarHBondContact OD1-N 2.91Å; N79-E81 VanDerWaalsContact OD1-N 3.07Å; N79-E82 WeakPolarHBondContact ND2-CG 3.31Å; N79-E82 PolarHBondContact ND2-OE2 2.71Å; N79-E82 PolarHBondContact OD1-N 2.99Å; N79-R83 WeakPolarHBondContact O-CA 3.34Å; N79-R83 PolarHBondContact O-N 2.87Å; N79-T84 WeakPolarHBondContact CB-OG1 3.36Å; N79-T84 PolarHBondContact N-O 3.17Å; N79-T84 PolarHBondContact O-N 3.02Å
80	K	90.8	Very high	95.3	Very high	147 Å²	147	60.6 Å²	60.6	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.6	-177.7	-68.2	-175.8	-178.7	-179.7	0	113	R83 L194	K80-R83 PolarHBondContact O-N 2.83Å; K80-L194 HydrophobicContact CG-CB 4.18Å
81	E	90.9	Very high	95.6	Very high	172 Å²	172	52.7 Å²	52.7	80%	0.804	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-45.7	-177.7	-61.5	178.1	176.6	0	0	110.7	N79	N79-E81 PolarHBondContact OD1-N 2.91Å; N79-E81 VanDerWaalsContact OD1-N 3.07Å
82	E	92.6	Very high	95.7	Very high	133 Å²	133	48 Å²	48	62%	0.621	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-3.5	179.6	-63.1	-176.2	162.7	0	0	113.7	N79 T84	N79-E82 WeakPolarHBondContact ND2-CG 3.31Å; N79-E82 PolarHBondContact ND2-OE2 2.71Å; N79-E82 PolarHBondContact OD1-N 2.99Å; E82-T84 HydrophobicContact CB-CG2 3.92Å; E82-T84 WeakPolarHBondContact O-CG2 3.43Å; E82-T84 PolarHBondContact O-N 3.49Å
83	R	95.7	Very high	95.7	Very high	109 Å²	109	46.6 Å²	46.6	41%	0.411	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.2	-170	-56.6	-178	-66.9	-178.4	3.3	112.2	N79 K80 L186 E188	N79-R83 WeakPolarHBondContact O-CA 3.34Å; N79-R83 PolarHBondContact O-N 2.87Å; K80-R83 PolarHBondContact O-N 2.83Å; R83-L186 PolarHBondContact O-N 3.25Å; R83-L186 VanDerWaalsContact O-N 3.08Å; R83-E188 IonicContact CZ-OE1 3.53Å; R83-E188 IonicContact NH1-OE1 3.29Å; R83-E188 PolarHBondContact NH1-OE1 2.85Å; R83-E188 IonicContact NH2-OE1 2.82Å
84	T	96.8	Very high	95.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.3	-179.5	63.1	0	0	0	0	112.4	N79 E82 I183 L184 H185 L194	N79-T84 WeakPolarHBondContact CB-OG1 3.36Å; N79-T84 PolarHBondContact N-O 3.17Å; N79-T84 PolarHBondContact O-N 3.02Å; E82-T84 HydrophobicContact CB-CG2 3.92Å; E82-T84 WeakPolarHBondContact O-CG2 3.43Å; E82-T84 PolarHBondContact O-N 3.49Å; T84-I183 HydrophobicContact CG2-CG2 4.24Å; T84-L184 CarbonylContact C-O 3.47Å; T84-L184 WeakPolarHBondContact CA-O 3.28Å; T84-H185 WeakPolarHBondContact CG2-ND1 3.49Å; T84-L194 VanDerWaalsContact O-CD2 3.23Å; T84-L194 WeakPolarHBondContact O-CD2 3.48Å
85	L	97.3	Very high	95.7	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.3	168.6	-178.2	63.7	0	0	0	108.5	F40 I76 P78 L184 L186 L194	F40-L85 HydrophobicContact CE2-CD2 3.92Å; F40-L85 HydrophobicContact CZ-CD2 3.98Å; I76-L85 HydrophobicContact CG2-CD1 3.77Å; P78-L85 HydrophobicContact CB-CD1 4.12Å; P78-L85 HydrophobicContact CG-CD1 3.97Å; L85-L184 HydrophobicContact CB-CB 4.32Å; L85-L184 HydrophobicContact CB-CD1 4.45Å; L85-L184 HydrophobicContact CD2-CD1 4.35Å; L85-L184 PolarHBondContact N-O 3.21Å; L85-L184 WeakPolarHBondContact O-CB 3.49Å; L85-L184 PolarHBondContact O-N 3Å; L85-L186 HydrophobicContact CB-CD1 4.3Å; L85-L186 HydrophobicContact CB-CD2 4.48Å; L85-L194 HydrophobicContact CB-CD2 4.27Å
86	T	97.4	Very high	95.6	Very high	16 Å²	16	49.7 Å²	49.7	10%	0.098	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.8	179.9	-61.2	0	0	0	0	110.2	R77 K181 V182 I183	R77-T86 PolarHBondContact N-O 3.01Å; R77-T86 PolarHBondContact O-N 3.18Å; T86-K181 HydrophobicContact CG2-CD 4.2Å; T86-K181 HydrophobicContact CG2-CG 3.7Å; T86-V182 CarbonylContact C-O 3.52Å; T86-V182 WeakPolarHBondContact CA-O 3.47Å; T86-I183 HydrophobicContact CG2-CG1 4.47Å
87	L	97.8	Very high	95.4	Very high	6 Å²	6	52 Å²	52	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.2	168.1	-172.5	75.8	0	0	0	108.9	L44 I45 S48 I74 E75 I76 K181 V182	L44-L87 HydrophobicContact CB-CD2 3.52Å; I45-L87 HydrophobicContact CG1-CD1 4.42Å; S48-L87 WeakPolarHBondContact OG-CD2 3.4Å; I74-L87 HydrophobicContact CG2-CD1 3.61Å; I74-L87 HydrophobicContact CG2-CG 4.25Å; E75-L87 CarbonylContact O-C 3.59Å; E75-L87 WeakPolarHBondContact O-CA 3.03Å; I76-L87 HydrophobicContact CD1-CD1 4.38Å; I76-L87 HydrophobicContact CG1-CD1 3.47Å; I76-L87 VanDerWaalsContact CG1-CD1 3.47Å; L87-K181 CarbonylContact O-C 3.58Å; L87-K181 WeakPolarHBondContact O-CA 3.43Å; L87-V182 HydrophobicContact CB-CB 4.45Å; L87-V182 PolarHBondContact N-O 3.43Å; L87-V182 PolarHBondContact O-N 3.16Å
88	T	97.6	Very high	95.3	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.19	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.4	177.5	-50.4	0	0	0	0	109.7	I74 E75 T180	I74-T88 CarbonylContact C-O 3.55Å; I74-T88 WeakPolarHBondContact CA-O 3.42Å; E75-T88 PolarHBondContact N-O 3.24Å; E75-T88 PolarHBondContact O-N 3.39Å; T88-T180 WeakPolarHBondContact CA-O 3.2Å
89	D	97.5	Very high	95.1	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.3	172.3	77.2	87.2	0	0	0	110.7	G91 G179 T180	D89-G91 VanDerWaalsContact C-N 3.26Å; D89-G91 PolarHBondContact O-N 2.87Å; D89-G91 VanDerWaalsContact OD1-CA 3.3Å; D89-G91 WeakPolarHBondContact OD1-CA 3.3Å; D89-G91 PolarHBondContact OD1-N 2.93Å; D89-G179 WeakPolarHBondContact O-CA 3.39Å; D89-T180 PolarHBondContact N-O 3.43Å; D89-T180 PolarHBondContact O-N 3.13Å; D89-T180 VanDerWaalsContact OD2-CB 3.31Å; D89-T180 WeakPolarHBondContact OD2-CB 3.28Å
90	T	96.8	Very high	95	Very high	28 Å²	28	48.2 Å²	48.2	17%	0.172	24%	0.239	C	C	.	.			trans	-95	27.9	175.6	61.1	0	0	0	0	112.5	D71 L72 K73 R178	D71-T90 VanDerWaalsContact O-CB 3.29Å; D71-T90 WeakPolarHBondContact O-CB 3.18Å; D71-T90 PolarHBondContact O-OG1 3.3Å; L72-T90 WeakPolarHBondContact CA-OG1 3.37Å; K73-T90 HydrophobicContact CG-CG2 4.09Å; K73-T90 PolarHBondContact N-OG1 3.01Å; K73-T90 PolarHBondContact O-N 2.95Å; K73-T90 PolarHBondContact O-OG1 3.43Å; T90-R178 PolarHBondContact O-NE 2.94Å; T90-R178 PolarHBondContact O-NH2 2.99Å
91	G	95.7	Very high	94.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-69.4	-162.1	-179.4	0	0	0	0	0	113.4	A51 D89 G93 R178 G179	A51-G91 WeakPolarHBondContact O-CA 3.42Å; D89-G91 VanDerWaalsContact C-N 3.26Å; D89-G91 PolarHBondContact O-N 2.87Å; D89-G91 VanDerWaalsContact OD1-CA 3.3Å; D89-G91 WeakPolarHBondContact OD1-CA 3.3Å; D89-G91 PolarHBondContact OD1-N 2.93Å; G91-G93 VanDerWaalsContact C-N 3.31Å; G91-G93 PolarHBondContact O-N 3.15Å; G91-R178 WeakPolarHBondContact O-CD 3.4Å; G91-R178 VanDerWaalsContact O-CG 3.31Å; G91-R178 WeakPolarHBondContact O-CG 3.14Å; G91-R178 PolarHBondContact O-NE 3.47Å; G91-G179 WeakPolarHBondContact O-CA 3.36Å
92	I	95.3	Very high	94.9	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.087	20%	0.199	C	C	.	.			trans	-67.7	-27	-176.7	-166.9	168.7	0	0	0	113.9	A51 K54 I55 E58 H150	A51-I92 PolarHBondContact O-N 3.46Å; A51-I92 VanDerWaalsContact O-N 3.1Å; K54-I92 HydrophobicContact CB-CB 4.23Å; K54-I92 HydrophobicContact CB-CD1 4.23Å; K54-I92 HydrophobicContact CB-CG2 3.91Å; K54-I92 HydrophobicContact CD-CG2 4.07Å; I55-I92 HydrophobicContact CB-CB 4.04Å; I55-I92 HydrophobicContact CD1-CG1 4.36Å; E58-I92 VanDerWaalsContact CD-CD1 3.47Å; E58-I92 HydrophobicContact CG-CD1 4.42Å; E58-I92 WeakPolarHBondContact OE1-CD1 3.32Å; I92-H150 PolarHBondContact O-CD2 3.08Å; I92-H150 VanDerWaalsContact O-CD2 3.23Å
93	G	95.8	Very high	94.6	Very high	8 Å²	8	33 Å²	33	8%	0.082	18%	0.175	C	C	.	.			trans	77.3	-173.5	-172.1	0	0	0	0	0	113.1	G91 T148	G91-G93 VanDerWaalsContact C-N 3.31Å; G91-G93 PolarHBondContact O-N 3.15Å; G93-T148 WeakPolarHBondContact CA-OG1 3.3Å
94	M	96.6	Very high	94	Very high	40 Å²	40	29 Å²	29	20%	0.197	17%	0.166	C	C	.	.			trans	-134	140.4	-179.5	-73.5	177.7	-71.8	0	0	110.6	D98 L99 V146 T148 T180	M94-D98 HydrophobicContact CB-CB 3.81Å; M94-D98 HydrophobicContact CG-CB 4.08Å; M94-L99 HydrophobicContact CB-CD2 4.38Å; M94-L99 HydrophobicContact CB-CG 4.35Å; M94-L99 HydrophobicContact CE-CD2 3.81Å; M94-L99 HydrophobicContact SD-CD2 4.25Å; M94-V146 HydrophobicContact CE-CG1 4.09Å; M94-T148 HydrophobicContact CB-CG2 3.95Å; M94-T148 PolarHBondContact N-OG1 2.92Å; M94-T148 WeakPolarHBondContact O-CG2 3.3Å; M94-T180 HydrophobicContact CE-CG2 4.26Å
95	T	96.3	Very high	93.4	Very high	25 Å²	25	31.6 Å²	31.6	15%	0.153	18%	0.182	C	C	.	.			trans	-74.2	168.7	169.7	66.9	0	0	0	0	110.6	A97 D98 L99 H150 D153	T95-A97 PolarHBondContact O-N 3.43Å; T95-A97 PolarHBondContact OG1-N 3.47Å; T95-D98 WeakPolarHBondContact CB-OD2 3.47Å; T95-D98 PolarHBondContact N-OD2 3.04Å; T95-D98 PolarHBondContact O-N 2.68Å; T95-D98 VanDerWaalsContact OG1-CG 3.26Å; T95-D98 PolarHBondContact OG1-N 2.66Å; T95-D98 VanDerWaalsContact OG1-N 3.16Å; T95-D98 PolarHBondContact OG1-OD2 2.68Å; T95-L99 PolarHBondContact O-N 2.82Å; T95-H150 HydrophobicContact CG2-CB 3.99Å; T95-D153 WeakPolarHBondContact CB-OD2 3.43Å; T95-D153 HydrophobicContact CG2-CB 4.02Å
96	K	94.9	Very high	92.8	Very high	97 Å²	97	33 Å²	33	42%	0.422	19%	0.19	S	C	.	.	H	α-helix	trans	-55.7	-38.1	171.9	-174.7	179.6	-176.8	174.7	0	112	I100 D153 Y156 V168	K96-I100 HydrophobicContact CG-CD1 4.35Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 2.7Å; K96-D153 PolarHBondContact N-OD2 2.87Å; K96-Y156 HydrophobicContact CB-CD1 4.43Å; K96-Y156 HydrophobicContact CB-CD2 4.13Å; K96-Y156 HydrophobicContact CB-CE1 4.12Å; K96-Y156 HydrophobicContact CB-CE2 3.82Å; K96-Y156 HydrophobicContact CB-CG 4.43Å; K96-Y156 HydrophobicContact CD-CD1 4.38Å; K96-Y156 HydrophobicContact CD-CE1 3.79Å; K96-Y156 HydrophobicContact CG-CD1 4.4Å; K96-Y156 HydrophobicContact CG-CE1 4.19Å; K96-V168 HydrophobicContact CG-CG1 4.27Å
97	A	93.8	Very high	92.1	Very high	49 Å²	49	35.8 Å²	35.8	41%	0.405	21%	0.214	S	C	.	.	H	α-helix	trans	-65.8	-40.6	177.4	0	0	0	0	0	111.4	T95 I100 N101	T95-A97 PolarHBondContact O-N 3.43Å; T95-A97 PolarHBondContact OG1-N 3.47Å; A97-I100 PolarHBondContact O-N 3.49Å; A97-N101 WeakPolarHBondContact O-CB 3.15Å; A97-N101 VanDerWaalsContact O-CG 3.26Å; A97-N101 PolarHBondContact O-N 3.41Å; A97-N101 PolarHBondContact O-ND2 2.87Å; A97-N101 VanDerWaalsContact O-ND2 3.1Å
98	D	93.1	Very high	91.5	Very high	50 Å²	50	39.9 Å²	39.9	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-39.1	177.6	-65.4	-51.8	0	0	0	112.6	M94 T95 I100 N101 N102 L103	M94-D98 HydrophobicContact CB-CB 3.81Å; M94-D98 HydrophobicContact CG-CB 4.08Å; T95-D98 WeakPolarHBondContact CB-OD2 3.47Å; T95-D98 PolarHBondContact N-OD2 3.04Å; T95-D98 PolarHBondContact O-N 2.68Å; T95-D98 VanDerWaalsContact OG1-CG 3.26Å; T95-D98 PolarHBondContact OG1-N 2.66Å; T95-D98 VanDerWaalsContact OG1-N 3.16Å; T95-D98 PolarHBondContact OG1-OD2 2.68Å; D98-I100 VanDerWaalsContact C-N 3.27Å; D98-I100 PolarHBondContact O-N 3.17Å; D98-N101 PolarHBondContact O-N 2.85Å; D98-N102 WeakPolarHBondContact O-CA 3.32Å; D98-N102 VanDerWaalsContact O-CB 3.24Å; D98-N102 WeakPolarHBondContact O-CB 3.07Å; D98-N102 PolarHBondContact O-N 2.94Å; D98-N102 PolarHBondContact OD1-ND2 3.35Å; D98-L103 PolarHBondContact O-N 3.34Å
99	L	91.6	Very high	90.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-57.3	-42.2	174.4	-74.8	174.8	0	0	0	111.6	M94 T95 L103 G104 T148 W158 V168	M94-L99 HydrophobicContact CB-CD2 4.38Å; M94-L99 HydrophobicContact CB-CG 4.35Å; M94-L99 HydrophobicContact CE-CD2 3.81Å; M94-L99 HydrophobicContact SD-CD2 4.25Å; T95-L99 PolarHBondContact O-N 2.82Å; L99-L103 HydrophobicContact CD2-CD2 3.93Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-G104 PolarHBondContact O-N 2.71Å; L99-T148 HydrophobicContact CD1-CG2 3.78Å; L99-T148 HydrophobicContact CD2-CG2 3.83Å; L99-T148 HydrophobicContact CG-CG2 3.94Å; L99-W158 HydrophobicContact CD1-CB 4.29Å; L99-W158 HydrophobicContact CD2-CB 3.97Å; L99-W158 HydrophobicContact CD2-CG 4.42Å; L99-V168 HydrophobicContact CD1-CG1 4.14Å
100	I	90.8	Very high	90	Very high	71 Å²	71	39.9 Å²	39.9	36%	0.364	24%	0.237	S	C	.	.	I	π-helix	trans	-75.8	-47.9	-179.8	-62.7	166.7	0	0	0	110.5	K96 A97 D98 G104 F166 V168	K96-I100 HydrophobicContact CG-CD1 4.35Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 2.7Å; A97-I100 PolarHBondContact O-N 3.49Å; D98-I100 VanDerWaalsContact C-N 3.27Å; D98-I100 PolarHBondContact O-N 3.17Å; I100-G104 WeakPolarHBondContact O-CA 3.27Å; I100-F166 HydrophobicContact CG1-CE2 4.39Å; I100-F166 HydrophobicContact CG2-CZ 4.48Å; I100-V168 HydrophobicContact CG1-CG2 4.35Å
101	N	89.4	Confident	89.3	Confident	77 Å²	77	39.1 Å²	39.1	41%	0.412	23%	0.232	S	C	.	.	I	π-helix	trans	-85.6	-25.2	-167.5	-70.5	-37.5	0	0	0	114.3	A97 D98 T105 K108	A97-N101 WeakPolarHBondContact O-CB 3.15Å; A97-N101 VanDerWaalsContact O-CG 3.26Å; A97-N101 PolarHBondContact O-N 3.41Å; A97-N101 PolarHBondContact O-ND2 2.87Å; A97-N101 VanDerWaalsContact O-ND2 3.1Å; D98-N101 PolarHBondContact O-N 2.85Å; N101-T105 WeakPolarHBondContact O-CB 3.15Å; N101-T105 PolarHBondContact O-OG1 2.75Å; N101-K108 WeakPolarHBondContact O-CD 3.17Å; N101-K108 WeakPolarHBondContact O-CE 3.38Å; N101-K108 PolarHBondContact O-NZ 3.5Å
102	N	89.3	Confident	88.7	Confident	36 Å²	36	44.2 Å²	44.2	19%	0.193	25%	0.254	C	S	.	.	I	π-helix	trans	-108.8	-57.4	-178.9	-56.3	-32.8	0	0	0	110	D98 T105	D98-N102 WeakPolarHBondContact O-CA 3.32Å; D98-N102 VanDerWaalsContact O-CB 3.24Å; D98-N102 WeakPolarHBondContact O-CB 3.07Å; D98-N102 PolarHBondContact O-N 2.94Å; D98-N102 PolarHBondContact OD1-ND2 3.35Å; N102-T105 PolarHBondContact O-N 3.34Å
103	L	87.1	Confident	88.1	Confident	20 Å²	20	46 Å²	46	11%	0.105	27%	0.272	C	S	.	.	I	π-helix	trans	-72.2	-34.1	-176.8	-163.4	69.8	0	0	0	112.7	D98 L99 T105 F134 Y135 V146 W158	D98-L103 PolarHBondContact O-N 3.34Å; L99-L103 HydrophobicContact CD2-CD2 3.93Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L103-T105 VanDerWaalsContact C-N 3.34Å; L103-F134 HydrophobicContact CD1-CB 4.23Å; L103-F134 HydrophobicContact CD1-CD1 3.38Å; L103-F134 HydrophobicContact CD1-CD2 3.74Å; L103-F134 HydrophobicContact CD1-CE1 3.51Å; L103-F134 HydrophobicContact CD1-CE2 3.87Å; L103-F134 HydrophobicContact CD1-CG 3.49Å; L103-F134 VanDerWaalsContact CD1-CG 3.49Å; L103-F134 HydrophobicContact CD1-CZ 3.76Å; L103-F134 HydrophobicContact CD2-CE1 4.21Å; L103-F134 HydrophobicContact CD2-CZ 4.06Å; L103-F134 HydrophobicContact CG-CD1 4.07Å; L103-F134 HydrophobicContact CG-CE1 3.8Å; L103-F134 HydrophobicContact CG-CZ 4.13Å; L103-Y135 PolarHBondContact O-OH 2.92Å; L103-V146 HydrophobicContact CD2-CB 4.17Å; L103-V146 HydrophobicContact CD2-CG1 4.19Å; L103-V146 HydrophobicContact CD2-CG2 4.03Å; L103-W158 HydrophobicContact CD2-CD2 3.76Å; L103-W158 HydrophobicContact CD2-CE3 4.08Å; L103-W158 HydrophobicContact CD2-CG 3.99Å; L103-W158 HydrophobicContact CD2-CZ2 4.48Å
104	G	83.1	Confident	87.5	Confident	23 Å²	23	47.5 Å²	47.5	24%	0.237	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.5	177.7	0	0	0	0	0	115.5	L99 I100 F166	L99-G104 PolarHBondContact O-N 2.71Å; I100-G104 WeakPolarHBondContact O-CA 3.27Å; G104-F166 VanDerWaalsContact CA-CE1 3.4Å
105	T	84.3	Confident	86.6	Confident	57 Å²	57	48 Å²	48	35%	0.35	28%	0.278	S	S	.	.	S	Bend	trans	-119.4	116.9	-174.6	-57.3	0	0	0	0	111.3	N101 N102 L103 K108	N101-T105 WeakPolarHBondContact O-CB 3.15Å; N101-T105 PolarHBondContact O-OG1 2.75Å; N102-T105 PolarHBondContact O-N 3.34Å; L103-T105 VanDerWaalsContact C-N 3.34Å; T105-K108 HydrophobicContact CG2-CB 3.83Å; T105-K108 HydrophobicContact CG2-CD 4.11Å; T105-K108 PolarHBondContact O-N 3.43Å
106	I	84.4	Confident	85.8	Confident	34 Å²	34	52 Å²	52	17%	0.174	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	140.9	177	-60.3	173	0	0	0	110.4	I22 L25 M26 I29 K108 V132 Y135	I22-I106 HydrophobicContact CG2-CD1 4.04Å; L25-I106 HydrophobicContact CB-CD1 4.46Å; L25-I106 HydrophobicContact CD2-CB 4.38Å; L25-I106 HydrophobicContact CD2-CD1 3.98Å; L25-I106 HydrophobicContact CD2-CG2 3.81Å; L25-I106 HydrophobicContact CG-CD1 4.18Å; L25-I106 HydrophobicContact CG-CG2 4.37Å; M26-I106 HydrophobicContact CG-CD1 3.97Å; M26-I106 HydrophobicContact SD-CD1 4.23Å; I29-I106 HydrophobicContact CD1-CD1 4.31Å; I29-I106 HydrophobicContact CD1-CG2 3.66Å; I106-K108 PolarHBondContact O-N 2.85Å; I106-V132 HydrophobicContact CG2-CG1 4.28Å; I106-Y135 HydrophobicContact CB-CE2 4.44Å; I106-Y135 HydrophobicContact CG1-CE2 3.86Å
107	A	82.5	Confident	85	Confident	74 Å²	74	51.5 Å²	51.5	61%	0.612	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	22.2	179.2	0	0	0	0	0	114.4	F130 G131	A107-F130 WeakPolarHBondContact CA-O 3.39Å; A107-G131 PolarHBondContact N-O 3.14Å; A107-G131 VanDerWaalsContact N-O 3.1Å
108	K	84.8	Confident	84	Confident	92 Å²	92	50.2 Å²	50.2	40%	0.4	30%	0.296	S	S	.	.			trans	-115.2	128.2	171.1	-172.1	157.8	163.9	-162	0	110.1	N101 T105 I106 G131	N101-K108 WeakPolarHBondContact O-CD 3.17Å; N101-K108 WeakPolarHBondContact O-CE 3.38Å; N101-K108 PolarHBondContact O-NZ 3.5Å; T105-K108 HydrophobicContact CG2-CB 3.83Å; T105-K108 HydrophobicContact CG2-CD 4.11Å; T105-K108 PolarHBondContact O-N 3.43Å; I106-K108 PolarHBondContact O-N 2.85Å; K108-G131 WeakPolarHBondContact O-CA 3.43Å
109	S	84.2	Confident	82.5	Confident	20 Å²	20	56.2 Å²	56.2	14%	0.14	32%	0.322	C	S	.	.			trans	-123.8	118.9	179.5	176.5	0	0	0	0	110.6	T111 K112 A113 G128	S109-T111 PolarHBondContact O-N 3.47Å; S109-T111 WeakPolarHBondContact OG-CB 3.25Å; S109-T111 PolarHBondContact OG-N 3.49Å; S109-K112 WeakPolarHBondContact O-CB 3.16Å; S109-K112 PolarHBondContact O-N 3.33Å; S109-K112 PolarHBondContact OG-N 3.09Å; S109-A113 PolarHBondContact O-N 2.66Å; S109-G128 PolarHBondContact OG-O 3.34Å
110	G	79.8	Confident	80.7	Confident	20 Å²	20	60.2 Å²	60.2	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-65	-23.4	171.2	0	0	0	0	0	112.6	F114	G110-F114 WeakPolarHBondContact O-CB 3.18Å; G110-F114 PolarHBondContact O-N 2.91Å
111	T	83.3	Confident	78.8	Confident	11 Å²	11	61 Å²	61	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-69.2	-38.4	173.9	-59	0	0	0	0	111.3	D50 K54 S109 F114 M115 M126 G128	D50-T111 HydrophobicContact CB-CG2 4.38Å; D50-T111 WeakPolarHBondContact OD2-CG2 3.38Å; K54-T111 PolarHBondContact NZ-OG1 3.15Å; S109-T111 PolarHBondContact O-N 3.47Å; S109-T111 WeakPolarHBondContact OG-CB 3.25Å; S109-T111 PolarHBondContact OG-N 3.49Å; T111-F114 PolarHBondContact O-N 2.88Å; T111-M115 WeakPolarHBondContact O-CG 3.06Å; T111-M115 PolarHBondContact O-N 3.12Å; T111-M126 HydrophobicContact CG2-CB 3.32Å; T111-M126 HydrophobicContact CG2-CG 3.96Å; T111-M126 HydrophobicContact CG2-SD 3.46Å; T111-M126 WeakPolarHBondContact CG2-SD 3Å; T111-G128 VanDerWaalsContact CB-O 3.32Å; T111-G128 WeakPolarHBondContact CB-O 3.35Å
112	K	82.9	Confident	77.3	Confident	107 Å²	107	59 Å²	59	47%	0.465	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-47.5	173.5	-175	-176.5	176.8	-171.1	0	111.4	S109 F114 M115 E116	S109-K112 WeakPolarHBondContact O-CB 3.16Å; S109-K112 PolarHBondContact O-N 3.33Å; S109-K112 PolarHBondContact OG-N 3.09Å; K112-F114 VanDerWaalsContact C-N 3.28Å; K112-F114 PolarHBondContact O-N 3.35Å; K112-M115 PolarHBondContact O-N 2.85Å; K112-E116 VanDerWaalsContact CE-OE1 3.23Å; K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 WeakPolarHBondContact O-CG 3.09Å; K112-E116 PolarHBondContact O-N 3.19Å
113	A	83.1	Confident	75.9	Confident	56 Å²	56	65.1 Å²	65.1	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-60.1	-39.3	177.3	0	0	0	0	0	112	S109 E116 A117	S109-A113 PolarHBondContact O-N 2.66Å; A113-E116 PolarHBondContact O-N 3.15Å; A113-A117 PolarHBondContact O-N 2.85Å; A113-A117 VanDerWaalsContact O-N 3.09Å
114	F	82.1	Confident	74.8	Confident	38 Å²	38	65.6 Å²	65.6	17%	0.167	41%	0.41	C	S	.	.	H	α-helix	trans	-64	-45.4	174.7	-166.5	-97.6	0	0	0	111.8	K54 Y57 G110 T111 K112 E116 A117 L118 M126	K54-F114 HydrophobicContact CB-CE1 4.49Å; K54-F114 HydrophobicContact CB-CE2 4.5Å; K54-F114 HydrophobicContact CB-CZ 4.23Å; K54-F114 HydrophobicContact CD-CG 4.47Å; K54-F114 HydrophobicContact CG-CD1 4.01Å; K54-F114 HydrophobicContact CG-CD2 4.25Å; K54-F114 HydrophobicContact CG-CE1 3.93Å; K54-F114 HydrophobicContact CG-CE2 4.22Å; K54-F114 HydrophobicContact CG-CG 4.13Å; K54-F114 HydrophobicContact CG-CZ 4.04Å; Y57-F114 HydrophobicContact CD1-CE1 4.22Å; Y57-F114 AromaticContact CD1-CZ 3.71Å; Y57-F114 HydrophobicContact CD1-CZ 3.71Å; Y57-F114 HydrophobicContact CE1-CZ 4.49Å; Y57-F114 HydrophobicContact CG-CZ 4.36Å; G110-F114 WeakPolarHBondContact O-CB 3.18Å; G110-F114 PolarHBondContact O-N 2.91Å; T111-F114 PolarHBondContact O-N 2.88Å; K112-F114 VanDerWaalsContact C-N 3.28Å; K112-F114 PolarHBondContact O-N 3.35Å; F114-E116 VanDerWaalsContact C-N 3.3Å; F114-E116 PolarHBondContact O-N 2.88Å; F114-A117 WeakPolarHBondContact O-CB 3.47Å; F114-A117 PolarHBondContact O-N 2.83Å; F114-A117 VanDerWaalsContact O-N 3.08Å; F114-L118 HydrophobicContact CD1-CD1 3.42Å; F114-L118 VanDerWaalsContact CD1-CD1 3.42Å; F114-L118 HydrophobicContact CD1-CD2 4.43Å; F114-L118 HydrophobicContact CD1-CG 3.81Å; F114-L118 HydrophobicContact CE1-CD1 3.43Å; F114-L118 VanDerWaalsContact CE1-CD1 3.43Å; F114-L118 HydrophobicContact CE1-CD2 3.94Å; F114-L118 HydrophobicContact CE1-CG 3.8Å; F114-L118 HydrophobicContact CZ-CD2 4.33Å; F114-L118 VanDerWaalsContact O-CG 3.28Å; F114-L118 WeakPolarHBondContact O-CG 3.36Å; F114-L118 PolarHBondContact O-N 2.8Å; F114-M126 HydrophobicContact CD1-CE 3.14Å; F114-M126 HydrophobicContact CD1-SD 3.82Å; F114-M126 HydrophobicContact CE1-CE 3.23Å; F114-M126 HydrophobicContact CE1-SD 4.48Å; F114-M126 HydrophobicContact CG-CE 4.24Å; F114-M126 HydrophobicContact CZ-CE 4.4Å
115	M	77.8	Confident	73.9	Confident	50 Å²	50	65.5 Å²	65.5	25%	0.246	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-36	175.6	-71.6	-160.8	-53.9	0	0	113.2	T111 K112 A117 L118 M126 Q129	T111-M115 WeakPolarHBondContact O-CG 3.06Å; T111-M115 PolarHBondContact O-N 3.12Å; K112-M115 PolarHBondContact O-N 2.85Å; M115-A117 VanDerWaalsContact C-N 3.31Å; M115-L118 PolarHBondContact O-N 2.7Å; M115-M126 HydrophobicContact CG-CB 4.39Å; M115-M126 HydrophobicContact CG-CG 4.47Å; M115-M126 HydrophobicContact CG-SD 4.37Å; M115-M126 HydrophobicContact SD-CB 4.15Å; M115-Q129 HydrophobicContact CE-CG 3.84Å
116	E	80.2	Confident	73.7	Confident	111 Å²	111	62.8 Å²	62.8	52%	0.519	39%	0.389	S	S	.	.	H	α-helix	trans	-65.3	-34.4	173.7	-72.6	172.6	-175.4	0	0	112	K112 A113 F114 Q119	K112-E116 VanDerWaalsContact CE-OE1 3.23Å; K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 WeakPolarHBondContact O-CG 3.09Å; K112-E116 PolarHBondContact O-N 3.19Å; A113-E116 PolarHBondContact O-N 3.15Å; F114-E116 VanDerWaalsContact C-N 3.3Å; F114-E116 PolarHBondContact O-N 2.88Å; E116-Q119 WeakPolarHBondContact O-CG 3.45Å
117	A	77.8	Confident	73.3	Confident	86 Å²	86	62 Å²	62	71%	0.711	39%	0.385	S	S	*	.	H	α-helix	trans	-73.3	-26.8	174.6	0	0	0	0	0	113.2	A113 F114 M115 Q119	A113-A117 PolarHBondContact O-N 2.85Å; A113-A117 VanDerWaalsContact O-N 3.09Å; F114-A117 WeakPolarHBondContact O-CB 3.47Å; F114-A117 PolarHBondContact O-N 2.83Å; F114-A117 VanDerWaalsContact O-N 3.08Å; M115-A117 VanDerWaalsContact C-N 3.31Å; A117-Q119 VanDerWaalsContact C-N 3.28Å; A117-Q119 PolarHBondContact O-N 2.9Å
118	L	72.6	Confident	72.9	Confident	22 Å²	22	58.8 Å²	58.8	12%	0.115	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	11.6	-177.3	-74.7	178.9	0	0	0	115.5	Y57 F114 M115 A120 A122 I124 M126	Y57-L118 HydrophobicContact CD1-CD2 3.62Å; Y57-L118 HydrophobicContact CD2-CD2 4.28Å; Y57-L118 HydrophobicContact CE1-CD2 3.12Å; Y57-L118 HydrophobicContact CE2-CD2 3.82Å; Y57-L118 HydrophobicContact CG-CD2 4.13Å; Y57-L118 WeakPolarHBondContact OH-CD2 3.38Å; F114-L118 HydrophobicContact CD1-CD1 3.42Å; F114-L118 VanDerWaalsContact CD1-CD1 3.42Å; F114-L118 HydrophobicContact CD1-CD2 4.43Å; F114-L118 HydrophobicContact CD1-CG 3.81Å; F114-L118 HydrophobicContact CE1-CD1 3.43Å; F114-L118 VanDerWaalsContact CE1-CD1 3.43Å; F114-L118 HydrophobicContact CE1-CD2 3.94Å; F114-L118 HydrophobicContact CE1-CG 3.8Å; F114-L118 HydrophobicContact CZ-CD2 4.33Å; F114-L118 VanDerWaalsContact O-CG 3.28Å; F114-L118 WeakPolarHBondContact O-CG 3.36Å; F114-L118 PolarHBondContact O-N 2.8Å; M115-L118 PolarHBondContact O-N 2.7Å; L118-A120 CarbonylContact O-C 3.59Å; L118-A120 PolarHBondContact O-N 2.57Å; L118-A122 HydrophobicContact CD2-CB 4.27Å; L118-I124 HydrophobicContact CD1-CB 4.17Å; L118-I124 HydrophobicContact CD1-CD1 3.73Å; L118-I124 HydrophobicContact CD1-CG2 4.47Å; L118-I124 HydrophobicContact CD2-CD1 4.18Å; L118-M126 HydrophobicContact CD1-CE 4.41Å
119	Q	61	Low	72.4	Confident	175 Å²	175	58.6 Å²	58.6	82%	0.818	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-9.3	-175.4	-79.8	-173.1	1.7	0	0	115.8	E116 A117	E116-Q119 WeakPolarHBondContact O-CG 3.45Å; A117-Q119 VanDerWaalsContact C-N 3.28Å; A117-Q119 PolarHBondContact O-N 2.9Å
120	A	54.7	Low	72.3	Confident	84 Å²	84	61 Å²	61	69%	0.694	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	84.3	171.8	0	0	0	0	0	112.9	L118 A122	L118-A120 CarbonylContact O-C 3.59Å; L118-A120 PolarHBondContact O-N 2.57Å; A120-A122 PolarHBondContact O-N 3.48Å; A120-A122 VanDerWaalsContact O-N 3.07Å
121	G	50.9	Low	72.4	Confident	88 Å²	88	60.9 Å²	60.9	91%	0.907	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	20.5	150.7	0	0	0	0	0	118.9
122	A	57	Low	72.5	Confident	35 Å²	35	60.9 Å²	60.9	29%	0.289	37%	0.366	S	S	.	.			trans	-91.5	130.4	179.3	0	0	0	0	0	112.4	Y57 L118 A120 I124	Y57-A122 HydrophobicContact CD2-CB 4.22Å; Y57-A122 HydrophobicContact CE2-CB 3.52Å; L118-A122 HydrophobicContact CD2-CB 4.27Å; A120-A122 PolarHBondContact O-N 3.48Å; A120-A122 VanDerWaalsContact O-N 3.07Å; A122-I124 HydrophobicContact CB-CD1 3.95Å; A122-I124 HydrophobicContact CB-CG1 4.1Å; A122-I124 PolarHBondContact O-N 2.98Å
123	D	59.8	Low	72.7	Confident	164 Å²	164	56.2 Å²	56.2	88%	0.877	35%	0.349	S	S	*	.			trans	-78.4	67.3	173.6	-170.2	17.1	0	0	0	110.6
124	I	65.5	Low	73.2	Confident	31 Å²	31	54.6 Å²	54.6	16%	0.159	33%	0.331	C	S	.	.			trans	-123.4	115.7	-179	-56	172.3	0	0	0	110.3	D53 Y57 L118 A122 M126	D53-I124 HydrophobicContact CB-CG2 4.43Å; Y57-I124 VanDerWaalsContact CB-CD1 3.44Å; Y57-I124 HydrophobicContact CD1-CD1 4.28Å; Y57-I124 HydrophobicContact CD2-CD1 3.16Å; Y57-I124 HydrophobicContact CD2-CG1 4.31Å; Y57-I124 HydrophobicContact CE2-CD1 3.86Å; Y57-I124 HydrophobicContact CG-CD1 3.34Å; L118-I124 HydrophobicContact CD1-CB 4.17Å; L118-I124 HydrophobicContact CD1-CD1 3.73Å; L118-I124 HydrophobicContact CD1-CG2 4.47Å; L118-I124 HydrophobicContact CD2-CD1 4.18Å; A122-I124 HydrophobicContact CB-CD1 3.95Å; A122-I124 HydrophobicContact CB-CG1 4.1Å; A122-I124 PolarHBondContact O-N 2.98Å; I124-M126 HydrophobicContact CG2-CE 3.56Å; I124-M126 HydrophobicContact CG2-CG 3.75Å
125	S	64.4	Low	73.6	Confident	20 Å²	20	53.5 Å²	53.5	14%	0.14	33%	0.326	C	S	.	.			trans	-106	98	175.1	-173.8	0	0	0	0	110.3	R367 E393	S125-R367 WeakPolarHBondContact OG-CD 3.47Å; S125-R367 WeakPolarHBondContact OG-CG 2.85Å; S125-R367 PolarHBondContact OG-NE 3.43Å; S125-R367 PolarHBondContact OG-NH1 3.44Å; S125-E393 VanDerWaalsContact CB-OE2 3.24Å; S125-E393 WeakPolarHBondContact CB-OE2 3.39Å; S125-E393 PolarHBondContact OG-OE2 3.4Å
126	M	78.4	Confident	74.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.314	C	S	.	.			trans	-95.5	148.2	175	-57.8	-170.7	178.7	0	0	112.5	D50 D53 K54 T111 F114 M115 L118 I124 R367	D50-M126 WeakPolarHBondContact OD1-CA 3.43Å; D53-M126 HydrophobicContact CB-CE 4.39Å; K54-M126 HydrophobicContact CG-CE 3.59Å; K54-M126 HydrophobicContact CG-SD 4.22Å; T111-M126 HydrophobicContact CG2-CB 3.32Å; T111-M126 HydrophobicContact CG2-CG 3.96Å; T111-M126 HydrophobicContact CG2-SD 3.46Å; T111-M126 WeakPolarHBondContact CG2-SD 3Å; F114-M126 HydrophobicContact CD1-CE 3.14Å; F114-M126 HydrophobicContact CD1-SD 3.82Å; F114-M126 HydrophobicContact CE1-CE 3.23Å; F114-M126 HydrophobicContact CE1-SD 4.48Å; F114-M126 HydrophobicContact CG-CE 4.24Å; F114-M126 HydrophobicContact CZ-CE 4.4Å; M115-M126 HydrophobicContact CG-CB 4.39Å; M115-M126 HydrophobicContact CG-CG 4.47Å; M115-M126 HydrophobicContact CG-SD 4.37Å; M115-M126 HydrophobicContact SD-CB 4.15Å; L118-M126 HydrophobicContact CD1-CE 4.41Å; I124-M126 HydrophobicContact CG2-CE 3.56Å; I124-M126 HydrophobicContact CG2-CG 3.75Å; M126-R367 WeakPolarHBondContact O-CD 3.41Å; M126-R367 PolarHBondContact O-NH1 3.45Å
127	I	76.4	Confident	75	Confident	19 Å²	19	45.8 Å²	45.8	10%	0.097	29%	0.29	C	S	.	.			trans	-94.5	-40	-168.4	-49.8	158.5	0	0	0	110.7	D50 Q129 I210 R367 V369 R401	D50-I127 PolarHBondContact OD1-N 2.74Å; I127-Q129 PolarHBondContact O-N 2.97Å; I127-Q129 VanDerWaalsContact O-N 3.08Å; I127-I210 HydrophobicContact CD1-CD1 4.37Å; I127-R367 HydrophobicContact CG1-CB 4.18Å; I127-V369 HydrophobicContact CD1-CG2 3.46Å; I127-V369 VanDerWaalsContact CD1-CG2 3.46Å; I127-V369 HydrophobicContact CG1-CG2 4.1Å; I127-V369 HydrophobicContact CG2-CG2 3.98Å; I127-R401 VanDerWaalsContact CG2-NH1 3.31Å; I127-R401 PolarHBondContact O-NH2 3.37Å
128	G	75.4	Confident	75.8	Confident	5 Å²	5	42 Å²	42	5%	0.052	26%	0.257	C	S	.	.			trans	-73.8	78.6	-168.2	0	0	0	0	0	117.5	D50 S109 T111	D50-G128 WeakPolarHBondContact OD2-CA 3.28Å; D50-G128 PolarHBondContact OD2-N 3.03Å; S109-G128 PolarHBondContact OG-O 3.34Å; T111-G128 VanDerWaalsContact CB-O 3.32Å; T111-G128 WeakPolarHBondContact CB-O 3.35Å
129	Q	74.3	Confident	76.8	Confident	88 Å²	88	41.5 Å²	41.5	41%	0.411	25%	0.254	S	S	.	.			trans	-94.9	-27.8	-178.4	-62.2	-174	2.8	0	0	116	M115 I127	M115-Q129 HydrophobicContact CE-CG 3.84Å; I127-Q129 PolarHBondContact O-N 2.97Å; I127-Q129 VanDerWaalsContact O-N 3.08Å
130	F	80.4	Confident	78.4	Confident	70 Å²	70	33.2 Å²	33.2	31%	0.307	22%	0.215	S	C	.	.	S	Bend	trans	-83.8	-27.8	-168.7	-59.6	-74.4	0	0	0	115.4	A107 V132 R401	A107-F130 WeakPolarHBondContact CA-O 3.39Å; F130-V132 HydrophobicContact CB-CG2 3.96Å; F130-R401 HydrophobicContact CE2-CG 4.12Å
131	G	82.4	Confident	80.4	Confident	19 Å²	19	29.3 Å²	29.3	20%	0.196	18%	0.183	C	C	.	.	S	Bend	trans	71.4	28.1	-177	0	0	0	0	0	114.7	A107 K108	A107-G131 PolarHBondContact N-O 3.14Å; A107-G131 VanDerWaalsContact N-O 3.1Å; K108-G131 WeakPolarHBondContact O-CA 3.43Å
132	V	86.4	Confident	82.5	Confident	10 Å²	10	30.3 Å²	30.3	6%	0.061	16%	0.164	C	C	.	.			trans	-126.7	-16.9	176.7	-61	0	0	0	0	114.1	I29 I106 F130 F134 Y135 I399	I29-V132 HydrophobicContact CD1-CG1 4.24Å; I106-V132 HydrophobicContact CG2-CG1 4.28Å; F130-V132 HydrophobicContact CB-CG2 3.96Å; V132-F134 VanDerWaalsContact C-N 3.29Å; V132-F134 PolarHBondContact O-N 3.14Å; V132-Y135 PolarHBondContact O-N 3.3Å; V132-Y135 VanDerWaalsContact O-N 3.11Å; V132-I399 HydrophobicContact CG2-CG1 4.22Å
133	G	87.1	Confident	84.4	Confident	9 Å²	9	31.8 Å²	31.8	9%	0.093	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-60.7	-32	-172.4	0	0	0	0	0	114.4	Y135 S136	G133-Y135 VanDerWaalsContact C-N 3.29Å; G133-Y135 PolarHBondContact O-N 3.3Å; G133-S136 VanDerWaalsContact O-CB 3.32Å; G133-S136 WeakPolarHBondContact O-CB 3.47Å; G133-S136 PolarHBondContact O-N 3.02Å; G133-S136 PolarHBondContact O-OG 3.41Å
134	F	92.5	Very high	86.2	Confident	22 Å²	22	24 Å²	24	10%	0.096	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-58.5	-39.4	176.1	172.1	-105.4	0	0	0	112.7	L44 L103 V132 S136 A137 V144 V146 W158	L44-F134 HydrophobicContact CD2-CD2 4.2Å; L103-F134 HydrophobicContact CD1-CB 4.23Å; L103-F134 HydrophobicContact CD1-CD1 3.38Å; L103-F134 HydrophobicContact CD1-CD2 3.74Å; L103-F134 HydrophobicContact CD1-CE1 3.51Å; L103-F134 HydrophobicContact CD1-CE2 3.87Å; L103-F134 HydrophobicContact CD1-CG 3.49Å; L103-F134 VanDerWaalsContact CD1-CG 3.49Å; L103-F134 HydrophobicContact CD1-CZ 3.76Å; L103-F134 HydrophobicContact CD2-CE1 4.21Å; L103-F134 HydrophobicContact CD2-CZ 4.06Å; L103-F134 HydrophobicContact CG-CD1 4.07Å; L103-F134 HydrophobicContact CG-CE1 3.8Å; L103-F134 HydrophobicContact CG-CZ 4.13Å; V132-F134 VanDerWaalsContact C-N 3.29Å; V132-F134 PolarHBondContact O-N 3.14Å; F134-S136 PolarHBondContact O-N 2.67Å; F134-S136 VanDerWaalsContact O-N 3.17Å; F134-A137 VanDerWaalsContact O-CB 3.25Å; F134-A137 WeakPolarHBondContact O-CB 3.47Å; F134-A137 PolarHBondContact O-N 3Å; F134-A137 VanDerWaalsContact O-N 3.09Å; F134-V144 HydrophobicContact CE2-CG1 4.14Å; F134-V144 HydrophobicContact CZ-CG1 3.82Å; F134-V146 HydrophobicContact CE2-CG2 3.78Å; F134-V146 HydrophobicContact CZ-CG2 3.67Å; F134-W158 AromaticContact CE1-CH2 3.83Å; F134-W158 HydrophobicContact CE1-CH2 3.83Å; F134-W158 HydrophobicContact CE1-CZ3 4.04Å; F134-W158 HydrophobicContact CZ-CH2 4.18Å; F134-W158 AromaticContact CZ-CZ3 3.89Å; F134-W158 HydrophobicContact CZ-CZ3 3.89Å
135	Y	91.6	Very high	87.7	Confident	15 Å²	15	22.9 Å²	22.9	6%	0.059	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-70.2	-13.1	-177.1	-55.8	-68.1	0	0	0	113.2	M26 L103 I106 V132 G133 A137 Y138	M26-Y135 HydrophobicContact SD-CD1 3.97Å; M26-Y135 HydrophobicContact SD-CE1 4.18Å; M26-Y135 HydrophobicContact SD-CG 4.5Å; L103-Y135 PolarHBondContact O-OH 2.92Å; I106-Y135 HydrophobicContact CB-CE2 4.44Å; I106-Y135 HydrophobicContact CG1-CE2 3.86Å; V132-Y135 PolarHBondContact O-N 3.3Å; V132-Y135 VanDerWaalsContact O-N 3.11Å; G133-Y135 VanDerWaalsContact C-N 3.29Å; G133-Y135 PolarHBondContact O-N 3.3Å; Y135-A137 PolarHBondContact O-N 3.32Å; Y135-Y138 HydrophobicContact CD1-CE2 4.29Å; Y135-Y138 PolarHBondContact O-N 3.36Å; Y135-Y138 VanDerWaalsContact O-N 3.14Å
136	S	91.9	Very high	89.3	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.2	170	72.4	0	0	0	0	112.9	I39 G133 F134 Y138 L139	I39-S136 VanDerWaalsContact CD1-CB 3.5Å; G133-S136 VanDerWaalsContact O-CB 3.32Å; G133-S136 WeakPolarHBondContact O-CB 3.47Å; G133-S136 PolarHBondContact O-N 3.02Å; G133-S136 PolarHBondContact O-OG 3.41Å; F134-S136 PolarHBondContact O-N 2.67Å; F134-S136 VanDerWaalsContact O-N 3.17Å; S136-Y138 PolarHBondContact O-N 3.01Å; S136-L139 WeakPolarHBondContact O-CB 3.35Å; S136-L139 WeakPolarHBondContact O-CD1 3.37Å; S136-L139 WeakPolarHBondContact O-CG 3.49Å; S136-L139 PolarHBondContact O-N 3.27Å
137	A	94.9	Very high	90.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-54.2	-35	171.8	0	0	0	0	0	112.8	F134 Y135 L139 V140 A141 V144 L184	F134-A137 VanDerWaalsContact O-CB 3.25Å; F134-A137 WeakPolarHBondContact O-CB 3.47Å; F134-A137 PolarHBondContact O-N 3Å; F134-A137 VanDerWaalsContact O-N 3.09Å; Y135-A137 PolarHBondContact O-N 3.32Å; A137-L139 PolarHBondContact O-N 3.16Å; A137-V140 PolarHBondContact O-N 3.11Å; A137-A141 VanDerWaalsContact O-CB 3.32Å; A137-A141 WeakPolarHBondContact O-CB 3.44Å; A137-A141 PolarHBondContact O-N 3.05Å; A137-V144 HydrophobicContact CB-CG2 3.93Å; A137-L184 HydrophobicContact CB-CD2 3.81Å
138	Y	94.5	Very high	91.3	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.027	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-74.8	-4	178.9	-64	-77.1	0	0	0	114.2	I30 Y135 S136 V140 A141 V144 W158 S160 A162 K187	I30-Y138 HydrophobicContact CD1-CG 4.24Å; Y135-Y138 HydrophobicContact CD1-CE2 4.29Å; Y135-Y138 PolarHBondContact O-N 3.36Å; Y135-Y138 VanDerWaalsContact O-N 3.14Å; S136-Y138 PolarHBondContact O-N 3.01Å; Y138-V140 PolarHBondContact O-N 2.96Å; Y138-A141 WeakPolarHBondContact CA-O 3.32Å; Y138-V144 HydrophobicContact CD1-CG2 4.03Å; Y138-V144 HydrophobicContact CE1-CB 4.1Å; Y138-V144 HydrophobicContact CE1-CG2 3.62Å; Y138-V144 HydrophobicContact CE2-CG2 4.18Å; Y138-V144 HydrophobicContact CG-CG2 4.48Å; Y138-W158 WeakPolarHBondContact OH-CH2 3.28Å; Y138-S160 VanDerWaalsContact OH-CB 3.32Å; Y138-S160 WeakPolarHBondContact OH-CB 3.42Å; Y138-S160 PolarHBondContact OH-O 3.4Å; Y138-S160 VanDerWaalsContact OH-O 3.08Å; Y138-A162 HydrophobicContact CD1-CB 3.61Å; Y138-A162 HydrophobicContact CD2-CB 4.1Å; Y138-A162 HydrophobicContact CE1-CB 3.75Å; Y138-A162 HydrophobicContact CE2-CB 4.25Å; Y138-A162 HydrophobicContact CG-CB 3.78Å; Y138-K187 PolarHBondContact O-NZ 3.36Å
139	L	92.8	Very high	92.3	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.058	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-58.4	-43.2	166.6	-72	168	0	0	0	110.3	I30 Y34 K37 I39 S136 A137 K187	I30-L139 HydrophobicContact CG2-CD2 4.29Å; I30-L139 WeakPolarHBondContact O-CD2 3.5Å; Y34-L139 HydrophobicContact CD2-CD1 4.01Å; Y34-L139 HydrophobicContact CG-CD1 4.13Å; K37-L139 HydrophobicContact CG-CB 4.4Å; I39-L139 HydrophobicContact CD1-CD1 3.83Å; I39-L139 HydrophobicContact CG1-CD1 4.1Å; S136-L139 WeakPolarHBondContact O-CB 3.35Å; S136-L139 WeakPolarHBondContact O-CD1 3.37Å; S136-L139 WeakPolarHBondContact O-CG 3.49Å; S136-L139 PolarHBondContact O-N 3.27Å; A137-L139 PolarHBondContact O-N 3.16Å; L139-K187 PolarHBondContact O-NZ 3.37Å
140	V	95.4	Very high	93.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-22.3	-173.7	-58.9	0	0	0	0	113.6	K37 F40 A137 Y138 L186 K187 Q190 Y193	K37-V140 HydrophobicContact CB-CG1 4.09Å; F40-V140 HydrophobicContact CB-CG2 4.31Å; F40-V140 HydrophobicContact CD1-CB 4.41Å; F40-V140 HydrophobicContact CD1-CG1 3.78Å; F40-V140 HydrophobicContact CD1-CG2 3.72Å; F40-V140 HydrophobicContact CD2-CG2 3.72Å; F40-V140 HydrophobicContact CE1-CG1 4.05Å; F40-V140 HydrophobicContact CE1-CG2 3.93Å; F40-V140 HydrophobicContact CE2-CG2 3.94Å; F40-V140 HydrophobicContact CG-CG1 4.38Å; F40-V140 HydrophobicContact CG-CG2 3.61Å; F40-V140 HydrophobicContact CZ-CG2 4.03Å; A137-V140 PolarHBondContact O-N 3.11Å; Y138-V140 PolarHBondContact O-N 2.96Å; V140-L186 HydrophobicContact CB-CD2 4.37Å; V140-L186 HydrophobicContact CG2-CD2 4Å; V140-K187 WeakPolarHBondContact O-CG 3.45Å; V140-K187 PolarHBondContact O-N 3.28Å; V140-Q190 HydrophobicContact CB-CB 4.24Å; V140-Q190 HydrophobicContact CB-CG 4.27Å; V140-Y193 HydrophobicContact CB-CD2 4.35Å; V140-Y193 HydrophobicContact CB-CE2 4.4Å; V140-Y193 HydrophobicContact CG1-CD2 4.03Å; V140-Y193 HydrophobicContact CG1-CE2 3.63Å
141	A	96.4	Very high	94	Very high	2 Å²	2	19 Å²	19	2%	0.017	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.2	-179	0	0	0	0	0	112.8	A137 Y138 V144 L184 H185 K187	A137-A141 VanDerWaalsContact O-CB 3.32Å; A137-A141 WeakPolarHBondContact O-CB 3.44Å; A137-A141 PolarHBondContact O-N 3.05Å; Y138-A141 WeakPolarHBondContact CA-O 3.32Å; A141-V144 HydrophobicContact CB-CG2 4.03Å; A141-L184 HydrophobicContact CB-CB 4.13Å; A141-L184 HydrophobicContact CB-CD2 4.35Å; A141-H185 CarbonylContact C-O 3.52Å; A141-H185 WeakPolarHBondContact CA-O 3.36Å; A141-H185 WeakPolarHBondContact CB-O 3.38Å; A141-K187 WeakPolarHBondContact O-CE 3.47Å
142	E	95.2	Very high	94.6	Very high	109 Å²	109	23.4 Å²	23.4	51%	0.509	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-34.4	169.7	-63.4	-178.2	177.5	0	0	111.4	S161 H185 K187	E142-S161 WeakPolarHBondContact O-CA 3.47Å; E142-H185 PolarHBondContact N-O 3.29Å; E142-K187 HydrophobicContact CG-CB 4.11Å; E142-K187 HydrophobicContact CG-CG 3.36Å
143	K	96.3	Very high	95	Very high	67 Å²	67	24.9 Å²	24.9	29%	0.291	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141	-178.7	-169.5	177.1	75.5	161.3	0	109.8	E159 S160 H185	K143-E159 HydrophobicContact CD-CG 4.14Å; K143-E159 WeakPolarHBondContact CD-OE1 3.16Å; K143-E159 WeakPolarHBondContact CE-OE1 3.38Å; K143-E159 HydrophobicContact CG-CG 4.37Å; K143-E159 IonicContact NZ-OE1 2.8Å; K143-E159 PolarHBondContact NZ-OE1 3.19Å; K143-S160 WeakPolarHBondContact CG-O 3.36Å; K143-H185 HydrophobicContact CB-CB 4.03Å; K143-H185 VanDerWaalsContact CE-CD2 3.41Å; K143-H185 WeakPolarHBondContact CE-CD2 3.44Å; K143-H185 WeakPolarHBondContact CE-NE2 3.5Å; K143-H185 WeakPolarHBondContact O-CB 3.29Å; K143-H185 PolarHBondContact O-CD2 3.5Å; K143-H185 PolarHBondContact O-N 2.86Å
144	V	97.6	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.5	175.8	-178.7	0	0	0	0	109	F134 A137 Y138 A141 V146 W158 S160 V182 I183 L184	F134-V144 HydrophobicContact CE2-CG1 4.14Å; F134-V144 HydrophobicContact CZ-CG1 3.82Å; A137-V144 HydrophobicContact CB-CG2 3.93Å; Y138-V144 HydrophobicContact CD1-CG2 4.03Å; Y138-V144 HydrophobicContact CE1-CB 4.1Å; Y138-V144 HydrophobicContact CE1-CG2 3.62Å; Y138-V144 HydrophobicContact CE2-CG2 4.18Å; Y138-V144 HydrophobicContact CG-CG2 4.48Å; A141-V144 HydrophobicContact CB-CG2 4.03Å; V144-V146 HydrophobicContact CG1-CG2 4.02Å; V144-W158 HydrophobicContact CB-CZ3 4.47Å; V144-S160 PolarHBondContact N-O 2.85Å; V144-S160 PolarHBondContact O-N 3.48Å; V144-S160 VanDerWaalsContact O-N 3.14Å; V144-V182 HydrophobicContact CG1-CG1 4Å; V144-I183 WeakPolarHBondContact CA-O 3.38Å; V144-L184 HydrophobicContact CG1-CD2 4.09Å; V144-L184 HydrophobicContact CG2-CD2 3.87Å
145	T	97.7	Very high	95.7	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.049	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128	173	-51.2	0	0	0	0	108.4	I147 W158 I183 H185	T145-I147 HydrophobicContact CG2-CG1 4.32Å; T145-W158 CarbonylContact C-O 3.54Å; T145-W158 WeakPolarHBondContact CA-O 3.43Å; T145-I183 PolarHBondContact N-O 2.89Å; T145-I183 PolarHBondContact O-N 3.35Å; T145-H185 PolarHBondContact OG1-NE2 3.23Å
146	V	97.9	Very high	96	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	113.4	179.1	-179	0	0	0	0	108.4	M94 L103 F134 V144 W158 T180 K181 V182	M94-V146 HydrophobicContact CE-CG1 4.09Å; L103-V146 HydrophobicContact CD2-CB 4.17Å; L103-V146 HydrophobicContact CD2-CG1 4.19Å; L103-V146 HydrophobicContact CD2-CG2 4.03Å; F134-V146 HydrophobicContact CE2-CG2 3.78Å; F134-V146 HydrophobicContact CZ-CG2 3.67Å; V144-V146 HydrophobicContact CG1-CG2 4.02Å; V146-W158 HydrophobicContact CB-CB 4.26Å; V146-W158 HydrophobicContact CB-CE3 4.21Å; V146-W158 HydrophobicContact CG2-CE3 3.93Å; V146-W158 HydrophobicContact CG2-CZ3 4.38Å; V146-W158 PolarHBondContact N-O 2.88Å; V146-W158 PolarHBondContact O-N 3.1Å; V146-T180 HydrophobicContact CG1-CG2 3.41Å; V146-T180 VanDerWaalsContact CG1-CG2 3.41Å; V146-K181 WeakPolarHBondContact CA-O 3.34Å; V146-V182 HydrophobicContact CG2-CG1 4.42Å; V146-V182 HydrophobicContact CG2-CG2 4.38Å
147	I	98	Very high	96.2	Very high	13 Å²	13	29.9 Å²	29.9	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.4	175.1	-54.1	176	0	0	0	107.2	T145 Q155 Y156 A157 D171 L176 T180 K181 I183	T145-I147 HydrophobicContact CG2-CG1 4.32Å; I147-Q155 HydrophobicContact CG2-CG 3.93Å; I147-Y156 WeakPolarHBondContact CA-O 3.27Å; I147-A157 HydrophobicContact CG1-CB 4.23Å; I147-D171 HydrophobicContact CG2-CB 4.36Å; I147-D171 VanDerWaalsContact CG2-OD2 3.22Å; I147-D171 WeakPolarHBondContact CG2-OD2 3.5Å; I147-L176 HydrophobicContact CB-CD1 4.29Å; I147-L176 HydrophobicContact CG2-CD1 3.8Å; I147-L176 WeakPolarHBondContact O-CD1 3.33Å; I147-T180 CarbonylContact O-C 3.56Å; I147-T180 WeakPolarHBondContact O-CA 3.5Å; I147-T180 WeakPolarHBondContact O-CG2 3.47Å; I147-K181 HydrophobicContact CB-CB 4.34Å; I147-K181 PolarHBondContact N-O 3.21Å; I147-K181 PolarHBondContact O-N 2.68Å; I147-I183 HydrophobicContact CD1-CD1 4.12Å
148	T	97.8	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.2	-174.6	-169.3	0	0	0	0	111.5	G93 M94 L99 Q155 Y156 G179 T180	G93-T148 WeakPolarHBondContact CA-OG1 3.3Å; M94-T148 HydrophobicContact CB-CG2 3.95Å; M94-T148 PolarHBondContact N-OG1 2.92Å; M94-T148 WeakPolarHBondContact O-CG2 3.3Å; L99-T148 HydrophobicContact CD1-CG2 3.78Å; L99-T148 HydrophobicContact CD2-CG2 3.83Å; L99-T148 HydrophobicContact CG-CG2 3.94Å; T148-Q155 WeakPolarHBondContact O-CA 3.38Å; T148-Y156 PolarHBondContact N-O 3.08Å; T148-Y156 PolarHBondContact O-N 2.97Å; T148-Y156 VanDerWaalsContact O-N 3.08Å; T148-G179 WeakPolarHBondContact CA-O 3.35Å; T148-G179 PolarHBondContact OG1-O 3.18Å; T148-G179 VanDerWaalsContact OG1-O 3.05Å; T148-T180 PolarHBondContact OG1-OG1 2.91Å
149	K	97.1	Very high	96.5	Very high	47 Å²	47	31.8 Å²	31.8	20%	0.204	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.1	175.7	178.5	63.3	175.8	75.9	0	109.2	D153 Q155 L176 G177 R178 G179	K149-D153 WeakPolarHBondContact CE-O 3.45Å; K149-D153 PolarHBondContact NZ-O 3.1Å; K149-Q155 HydrophobicContact CB-CB 4.49Å; K149-Q155 HydrophobicContact CB-CG 4.32Å; K149-Q155 HydrophobicContact CD-CB 4.11Å; K149-L176 HydrophobicContact CB-CB 4.28Å; K149-G177 WeakPolarHBondContact CG-O 3.39Å; K149-R178 WeakPolarHBondContact O-CA 3.44Å; K149-G179 PolarHBondContact N-O 3.33Å; K149-G179 PolarHBondContact O-N 3.28Å
150	H	96.7	Very high	96.6	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.083	16%	0.155	C	C	.	.			trans	-85.9	151.2	167.8	-169.6	-96.2	0	0	0	110.3	I92 T95 D152 D153	I92-H150 PolarHBondContact O-CD2 3.08Å; I92-H150 VanDerWaalsContact O-CD2 3.23Å; T95-H150 HydrophobicContact CG2-CB 3.99Å; H150-D152 IonicContact CE1-OD2 3.25Å; H150-D152 PolarHBondContact CE1-OD2 2.9Å; H150-D152 VanDerWaalsContact CE1-OD2 3.28Å; H150-D152 WeakPolarHBondContact ND1-CB 3.34Å; H150-D152 PolarHBondContact ND1-N 2.89Å; H150-D152 IonicContact ND1-OD2 3.34Å; H150-D152 PolarHBondContact O-N 3.35Å; H150-D153 PolarHBondContact O-N 3.4Å
151	N	94.1	Very high	96.4	Very high	42 Å²	42	35.6 Å²	35.6	23%	0.225	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.5	178.7	-78.5	-18.5	0	0	0	112.3	K65 S68	K65-N151 PolarHBondContact O-ND2 3.18Å; S68-N151 WeakPolarHBondContact CB-OD1 3.32Å; S68-N151 PolarHBondContact OG-OD1 3.4Å
152	D	94.6	Very high	96	Very high	111 Å²	111	36.6 Å²	36.6	59%	0.594	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	8.3	-173.8	-52.8	-26.6	0	0	0	114.3	K65 H150	K65-D152 IonicContact NZ-OD1 3.84Å; K65-D152 PolarHBondContact NZ-OD1 3.35Å; K65-D152 IonicContact NZ-OD2 3.73Å; H150-D152 IonicContact CE1-OD2 3.25Å; H150-D152 PolarHBondContact CE1-OD2 2.9Å; H150-D152 VanDerWaalsContact CE1-OD2 3.28Å; H150-D152 WeakPolarHBondContact ND1-CB 3.34Å; H150-D152 PolarHBondContact ND1-N 2.89Å; H150-D152 IonicContact ND1-OD2 3.34Å; H150-D152 PolarHBondContact O-N 3.35Å
153	D	95.9	Very high	95.3	Very high	41 Å²	41	34.4 Å²	34.4	22%	0.219	20%	0.196	C	C	.	.	S	Bend	trans	-148.2	173.2	-179.9	-154.5	-11.6	0	0	0	111.6	T95 K96 K149 H150 Y156	T95-D153 WeakPolarHBondContact CB-OD2 3.43Å; T95-D153 HydrophobicContact CG2-CB 4.02Å; K96-D153 PolarHBondContact N-OD2 2.87Å; K149-D153 WeakPolarHBondContact CE-O 3.45Å; K149-D153 PolarHBondContact NZ-O 3.1Å; H150-D153 PolarHBondContact O-N 3.4Å; D153-Y156 HydrophobicContact CB-CE2 4.34Å; D153-Y156 VanDerWaalsContact CG-CE2 3.44Å; D153-Y156 VanDerWaalsContact OD1-CE2 3.25Å; D153-Y156 WeakPolarHBondContact OD1-CE2 3.08Å; D153-Y156 PolarHBondContact OD1-OH 3.35Å; D153-Y156 WeakPolarHBondContact OD2-CE2 3.49Å
154	E	95.8	Very high	94.6	Very high	109 Å²	109	33.3 Å²	33.3	51%	0.509	20%	0.204	S	C	.	.			trans	-75.8	175.7	176.1	-64.9	-172	179.2	0	0	112.6	Y156 L170	E154-Y156 HydrophobicContact CB-CE2 3.98Å; E154-Y156 WeakPolarHBondContact O-CD2 3.48Å; E154-Y156 VanDerWaalsContact O-CE2 3.24Å; E154-Y156 WeakPolarHBondContact O-CE2 3.47Å; E154-L170 VanDerWaalsContact OE2-CD1 3.31Å; E154-L170 WeakPolarHBondContact OE2-CD1 3.42Å
155	Q	97.4	Very high	94.2	Very high	19 Å²	19	37.5 Å²	37.5	9%	0.089	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.8	175.3	-165.7	166.1	-65.1	0	0	109.8	I147 T148 K149 D171 E174	I147-Q155 HydrophobicContact CG2-CG 3.93Å; T148-Q155 WeakPolarHBondContact O-CA 3.38Å; K149-Q155 HydrophobicContact CB-CB 4.49Å; K149-Q155 HydrophobicContact CB-CG 4.32Å; K149-Q155 HydrophobicContact CD-CB 4.11Å; Q155-D171 HydrophobicContact CG-CB 4.12Å; Q155-D171 PolarHBondContact NE2-OD2 3.12Å; Q155-D171 PolarHBondContact O-N 2.9Å; Q155-E174 PolarHBondContact NE2-O 2.97Å; Q155-E174 VanDerWaalsContact NE2-O 3.14Å
156	Y	97.6	Very high	94.1	Very high	22 Å²	22	40.5 Å²	40.5	9%	0.086	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.9	179	-60.8	-87	0	0	0	111.4	K96 I147 T148 D153 E154 V168 R169 L170	K96-Y156 HydrophobicContact CB-CD1 4.43Å; K96-Y156 HydrophobicContact CB-CD2 4.13Å; K96-Y156 HydrophobicContact CB-CE1 4.12Å; K96-Y156 HydrophobicContact CB-CE2 3.82Å; K96-Y156 HydrophobicContact CB-CG 4.43Å; K96-Y156 HydrophobicContact CD-CD1 4.38Å; K96-Y156 HydrophobicContact CD-CE1 3.79Å; K96-Y156 HydrophobicContact CG-CD1 4.4Å; K96-Y156 HydrophobicContact CG-CE1 4.19Å; I147-Y156 WeakPolarHBondContact CA-O 3.27Å; T148-Y156 PolarHBondContact N-O 3.08Å; T148-Y156 PolarHBondContact O-N 2.97Å; T148-Y156 VanDerWaalsContact O-N 3.08Å; D153-Y156 HydrophobicContact CB-CE2 4.34Å; D153-Y156 VanDerWaalsContact CG-CE2 3.44Å; D153-Y156 VanDerWaalsContact OD1-CE2 3.25Å; D153-Y156 WeakPolarHBondContact OD1-CE2 3.08Å; D153-Y156 PolarHBondContact OD1-OH 3.35Å; D153-Y156 WeakPolarHBondContact OD2-CE2 3.49Å; E154-Y156 HydrophobicContact CB-CE2 3.98Å; E154-Y156 WeakPolarHBondContact O-CD2 3.48Å; E154-Y156 VanDerWaalsContact O-CE2 3.24Å; E154-Y156 WeakPolarHBondContact O-CE2 3.47Å; Y156-V168 HydrophobicContact CD1-CG1 4.34Å; Y156-R169 CarbonylContact C-O 3.59Å; Y156-R169 WeakPolarHBondContact CA-O 3.35Å; Y156-L170 HydrophobicContact CE1-CD1 3.94Å
157	A	97.2	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.5	169.4	0	0	0	0	0	109.9	I147 V168 R169 D171	I147-A157 HydrophobicContact CG1-CB 4.23Å; A157-V168 WeakPolarHBondContact O-CA 3.38Å; A157-R169 HydrophobicContact CB-CG 3.92Å; A157-R169 PolarHBondContact N-O 3.07Å; A157-R169 PolarHBondContact O-N 3.14Å; A157-D171 HydrophobicContact CB-CB 4.01Å
158	W	97.7	Very high	93.9	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.9	169.4	179.2	104.6	0	0	0	109.2	L99 L103 F134 Y138 V144 T145 V146 F166 T167 V168	L99-W158 HydrophobicContact CD1-CB 4.29Å; L99-W158 HydrophobicContact CD2-CB 3.97Å; L99-W158 HydrophobicContact CD2-CG 4.42Å; L103-W158 HydrophobicContact CD2-CD2 3.76Å; L103-W158 HydrophobicContact CD2-CE3 4.08Å; L103-W158 HydrophobicContact CD2-CG 3.99Å; L103-W158 HydrophobicContact CD2-CZ2 4.48Å; F134-W158 AromaticContact CE1-CH2 3.83Å; F134-W158 HydrophobicContact CE1-CH2 3.83Å; F134-W158 HydrophobicContact CE1-CZ3 4.04Å; F134-W158 HydrophobicContact CZ-CH2 4.18Å; F134-W158 AromaticContact CZ-CZ3 3.89Å; F134-W158 HydrophobicContact CZ-CZ3 3.89Å; Y138-W158 WeakPolarHBondContact OH-CH2 3.28Å; V144-W158 HydrophobicContact CB-CZ3 4.47Å; T145-W158 CarbonylContact C-O 3.54Å; T145-W158 WeakPolarHBondContact CA-O 3.43Å; V146-W158 HydrophobicContact CB-CB 4.26Å; V146-W158 HydrophobicContact CB-CE3 4.21Å; V146-W158 HydrophobicContact CG2-CE3 3.93Å; V146-W158 HydrophobicContact CG2-CZ3 4.38Å; V146-W158 PolarHBondContact N-O 2.88Å; V146-W158 PolarHBondContact O-N 3.1Å; W158-F166 AromaticContact CD1-CD2 3.53Å; W158-F166 HydrophobicContact CD2-CB 4.46Å; W158-F166 AromaticContact CE2-CD2 3.94Å; W158-F166 AromaticContact CE2-CG 3.76Å; W158-F166 HydrophobicContact CH2-CB 4.44Å; W158-F166 HydrophobicContact CZ2-CB 3.53Å; W158-F166 HydrophobicContact CZ2-CD1 4.36Å; W158-F166 AromaticContact CZ2-CG 3.94Å; W158-F166 HydrophobicContact CZ2-CG 3.94Å; W158-F166 AromaticContact NE1-CD2 3.01Å; W158-F166 AromaticContact NE1-CE2 3.61Å; W158-F166 AromaticContact NE1-CG 3.25Å; W158-T167 VanDerWaalsContact CA-O 3.29Å; W158-T167 WeakPolarHBondContact CA-O 3.21Å; W158-V168 HydrophobicContact CG-CG2 4.48Å
159	E	96.7	Very high	93.8	Very high	44 Å²	44	51.1 Å²	51.1	21%	0.206	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.8	-178.3	-171.4	172.8	155.1	0	0	111.3	K143 F166 T167 R169	K143-E159 HydrophobicContact CD-CG 4.14Å; K143-E159 WeakPolarHBondContact CD-OE1 3.16Å; K143-E159 WeakPolarHBondContact CE-OE1 3.38Å; K143-E159 HydrophobicContact CG-CG 4.37Å; K143-E159 IonicContact NZ-OE1 2.8Å; K143-E159 PolarHBondContact NZ-OE1 3.19Å; E159-F166 WeakPolarHBondContact O-CA 3.31Å; E159-T167 PolarHBondContact N-O 3.41Å; E159-T167 PolarHBondContact O-N 2.99Å; E159-R169 IonicContact OE2-CZ 3.54Å; E159-R169 IonicContact OE2-NH1 2.8Å; E159-R169 PolarHBondContact OE2-NH1 2.73Å; E159-R169 IonicContact OE2-NH2 3.24Å; E159-R169 PolarHBondContact OE2-NH2 3.42Å
160	S	94.9	Very high	93.7	Very high	13 Å²	13	53 Å²	53	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	151.9	174.9	-176.2	0	0	0	0	112.2	Y138 K143 V144 A162 S165	Y138-S160 VanDerWaalsContact OH-CB 3.32Å; Y138-S160 WeakPolarHBondContact OH-CB 3.42Å; Y138-S160 PolarHBondContact OH-O 3.4Å; Y138-S160 VanDerWaalsContact OH-O 3.08Å; K143-S160 WeakPolarHBondContact CG-O 3.36Å; V144-S160 PolarHBondContact N-O 2.85Å; V144-S160 PolarHBondContact O-N 3.48Å; V144-S160 VanDerWaalsContact O-N 3.14Å; S160-A162 PolarHBondContact OG-N 3.4Å; S160-S165 PolarHBondContact OG-O 2.93Å
161	S	92.4	Very high	93.5	Very high	77 Å²	77	53.3 Å²	53.3	54%	0.538	31%	0.312	S	S	.	.			trans	-113.2	23.6	174.3	61	0	0	0	0	112.2	E142 G163	E142-S161 WeakPolarHBondContact O-CA 3.47Å; S161-G163 PolarHBondContact O-N 2.89Å
162	A	86.9	Confident	93.3	Very high	23 Å²	23	58 Å²	58	19%	0.19	34%	0.338	C	S	.	.	S	Bend	trans	60.7	11.2	-176.1	0	0	0	0	0	115.9	M26 I30 Y138 S160 G164	M26-A162 VanDerWaalsContact CE-CA 3.43Å; M26-A162 HydrophobicContact CE-CB 3.19Å; I30-A162 HydrophobicContact CD1-CB 4.06Å; Y138-A162 HydrophobicContact CD1-CB 3.61Å; Y138-A162 HydrophobicContact CD2-CB 4.1Å; Y138-A162 HydrophobicContact CE1-CB 3.75Å; Y138-A162 HydrophobicContact CE2-CB 4.25Å; Y138-A162 HydrophobicContact CG-CB 3.78Å; S160-A162 PolarHBondContact OG-N 3.4Å; A162-G164 PolarHBondContact O-N 3.47Å
163	G	81	Confident	93.1	Very high	64 Å²	64	55.4 Å²	55.4	66%	0.66	33%	0.328	S	S	*	.	S	Bend	trans	-77.6	24.5	-179.9	0	0	0	0	0	115.9	S161	S161-G163 PolarHBondContact O-N 2.89Å
164	G	82.5	Confident	92.7	Very high	43 Å²	43	61 Å²	61	44%	0.443	35%	0.353	S	S	.	.	S	Bend	trans	85.8	1	179.7	0	0	0	0	0	116.1	A162	A162-G164 PolarHBondContact O-N 3.47Å
165	S	88.9	Confident	92.4	Very high	88 Å²	88	61.1 Å²	61.1	62%	0.615	36%	0.363	S	S	*	.			trans	-144.4	166.8	174	63.9	0	0	0	0	112.2	S160	S160-S165 PolarHBondContact OG-O 2.93Å
166	F	94.8	Very high	92	Very high	71 Å²	71	62.5 Å²	62.5	31%	0.311	37%	0.371	S	S	.	.			trans	-143.2	160.9	175.1	63	-95.2	0	0	0	110.1	I100 G104 W158 E159 V168	I100-F166 HydrophobicContact CG1-CE2 4.39Å; I100-F166 HydrophobicContact CG2-CZ 4.48Å; G104-F166 VanDerWaalsContact CA-CE1 3.4Å; W158-F166 AromaticContact CD1-CD2 3.53Å; W158-F166 HydrophobicContact CD2-CB 4.46Å; W158-F166 AromaticContact CE2-CD2 3.94Å; W158-F166 AromaticContact CE2-CG 3.76Å; W158-F166 HydrophobicContact CH2-CB 4.44Å; W158-F166 HydrophobicContact CZ2-CB 3.53Å; W158-F166 HydrophobicContact CZ2-CD1 4.36Å; W158-F166 AromaticContact CZ2-CG 3.94Å; W158-F166 HydrophobicContact CZ2-CG 3.94Å; W158-F166 AromaticContact NE1-CD2 3.01Å; W158-F166 AromaticContact NE1-CE2 3.61Å; W158-F166 AromaticContact NE1-CG 3.25Å; E159-F166 WeakPolarHBondContact O-CA 3.31Å; F166-V168 HydrophobicContact CD2-CG2 4.04Å; F166-V168 HydrophobicContact CE2-CG2 4.02Å
167	T	95.5	Very high	91.7	Very high	81 Å²	81	63.2 Å²	63.2	50%	0.497	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151	176.7	63	0	0	0	0	110.8	W158 E159	W158-T167 VanDerWaalsContact CA-O 3.29Å; W158-T167 WeakPolarHBondContact CA-O 3.21Å; E159-T167 PolarHBondContact N-O 3.41Å; E159-T167 PolarHBondContact O-N 2.99Å
168	V	96.1	Very high	91.6	Very high	40 Å²	40	63.6 Å²	63.6	24%	0.242	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.6	174.6	-176.9	0	0	0	0	108.5	K96 L99 I100 Y156 A157 W158 F166	K96-V168 HydrophobicContact CG-CG1 4.27Å; L99-V168 HydrophobicContact CD1-CG1 4.14Å; I100-V168 HydrophobicContact CG1-CG2 4.35Å; Y156-V168 HydrophobicContact CD1-CG1 4.34Å; A157-V168 WeakPolarHBondContact O-CA 3.38Å; W158-V168 HydrophobicContact CG-CG2 4.48Å; F166-V168 HydrophobicContact CD2-CG2 4.04Å; F166-V168 HydrophobicContact CE2-CG2 4.02Å
169	R	95.9	Very high	91.5	Very high	116 Å²	116	63.4 Å²	63.4	44%	0.438	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.2	178.5	64.5	-178.9	-178.6	-95.6	3.9	111	Y156 A157 E159	Y156-R169 CarbonylContact C-O 3.59Å; Y156-R169 WeakPolarHBondContact CA-O 3.35Å; A157-R169 HydrophobicContact CB-CG 3.92Å; A157-R169 PolarHBondContact N-O 3.07Å; A157-R169 PolarHBondContact O-N 3.14Å; E159-R169 IonicContact OE2-CZ 3.54Å; E159-R169 IonicContact OE2-NH1 2.8Å; E159-R169 PolarHBondContact OE2-NH1 2.73Å; E159-R169 IonicContact OE2-NH2 3.24Å; E159-R169 PolarHBondContact OE2-NH2 3.42Å
170	L	95.1	Very high	91.6	Very high	88 Å²	88	61.7 Å²	61.7	46%	0.461	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.8	165.2	-139.3	95.8	0	0	0	108.5	E154 Y156	E154-L170 VanDerWaalsContact OE2-CD1 3.31Å; E154-L170 WeakPolarHBondContact OE2-CD1 3.42Å; Y156-L170 HydrophobicContact CE1-CD1 3.94Å
171	D	93	Very high	91.7	Very high	23 Å²	23	63.8 Å²	63.8	12%	0.123	39%	0.385	C	S	.	.			trans	-107.1	128.1	175.4	-176.2	43.3	0	0	0	111.1	I147 Q155 A157 S173	I147-D171 HydrophobicContact CG2-CB 4.36Å; I147-D171 VanDerWaalsContact CG2-OD2 3.22Å; I147-D171 WeakPolarHBondContact CG2-OD2 3.5Å; Q155-D171 HydrophobicContact CG-CB 4.12Å; Q155-D171 PolarHBondContact NE2-OD2 3.12Å; Q155-D171 PolarHBondContact O-N 2.9Å; A157-D171 HydrophobicContact CB-CB 4.01Å; D171-S173 WeakPolarHBondContact OD1-CB 3.32Å; D171-S173 PolarHBondContact OD1-N 3.3Å; D171-S173 PolarHBondContact OD1-OG 3.39Å; D171-S173 WeakPolarHBondContact OD2-CB 3.35Å; D171-S173 PolarHBondContact OD2-OG 3.39Å
172	N	89.9	Confident	92	Very high	142 Å²	142	60.7 Å²	60.7	76%	0.759	36%	0.363	S	S	*	.			trans	-112.1	14.8	178.3	-61.2	-52.9	0	0	0	111.6
173	S	88.9	Confident	92.5	Very high	56 Å²	56	60.8 Å²	60.8	39%	0.392	36%	0.36	S	S	.	.	S	Bend	trans	-73.2	-169.6	175.2	83.5	0	0	0	0	111.4	D171	D171-S173 WeakPolarHBondContact OD1-CB 3.32Å; D171-S173 PolarHBondContact OD1-N 3.3Å; D171-S173 PolarHBondContact OD1-OG 3.39Å; D171-S173 WeakPolarHBondContact OD2-CB 3.35Å; D171-S173 PolarHBondContact OD2-OG 3.39Å
174	E	88.9	Confident	93.3	Very high	159 Å²	159	57.8 Å²	57.8	74%	0.743	33%	0.329	S	S	*	.	S	Bend	trans	-51.6	127	179.3	-169.8	177.9	-176.9	0	0	111.4	Q155 L176	Q155-E174 PolarHBondContact NE2-O 2.97Å; Q155-E174 VanDerWaalsContact NE2-O 3.14Å; E174-L176 PolarHBondContact O-N 3.42Å
175	P	89.8	Confident	94	Very high	111 Å²	111	58.4 Å²	58.4	72%	0.721	32%	0.32	S	S	*	.			trans	-66.1	126.1	-178.6	-22	32.8	0	0	0	112.2	G177	P175-G177 VanDerWaalsContact C-N 3.33Å; P175-G177 PolarHBondContact O-N 3.06Å
176	L	88.2	Confident	94.4	Very high	48 Å²	48	54.6 Å²	54.6	25%	0.251	29%	0.293	S	S	.	.			trans	-77	-17.6	179.4	-66.8	175.2	0	0	0	113.7	I147 K149 E174 R178 K181	I147-L176 HydrophobicContact CB-CD1 4.29Å; I147-L176 HydrophobicContact CG2-CD1 3.8Å; I147-L176 WeakPolarHBondContact O-CD1 3.33Å; K149-L176 HydrophobicContact CB-CB 4.28Å; E174-L176 PolarHBondContact O-N 3.42Å; L176-R178 PolarHBondContact O-N 3.35Å; L176-K181 HydrophobicContact CD1-CB 4.19Å; L176-K181 HydrophobicContact CD2-CB 4.1Å; L176-K181 HydrophobicContact CD2-CD 4.39Å
177	G	91	Very high	94.5	Very high	36 Å²	36	53.8 Å²	53.8	37%	0.371	29%	0.289	S	S	.	.	S	Bend	trans	73.3	-65.7	-168.8	0	0	0	0	0	112.3	K149 P175	K149-G177 WeakPolarHBondContact CG-O 3.39Å; P175-G177 VanDerWaalsContact C-N 3.33Å; P175-G177 PolarHBondContact O-N 3.06Å
178	R	95.2	Very high	94.4	Very high	8 Å²	8	56.1 Å²	56.1	3%	0.03	30%	0.295	C	S	.	.	S	Bend	trans	-157.1	147.2	174.5	-166.6	-169.4	62.2	-128.2	-3.5	110.9	K65 S68 G69 T90 G91 K149 L176	K65-R178 PolarHBondContact O-NH1 3.39Å; S68-R178 PolarHBondContact OG-NH1 3.03Å; G69-R178 PolarHBondContact O-NH1 3.38Å; G69-R178 PolarHBondContact O-NH2 2.82Å; T90-R178 PolarHBondContact O-NE 2.94Å; T90-R178 PolarHBondContact O-NH2 2.99Å; G91-R178 WeakPolarHBondContact O-CD 3.4Å; G91-R178 VanDerWaalsContact O-CG 3.31Å; G91-R178 WeakPolarHBondContact O-CG 3.14Å; G91-R178 PolarHBondContact O-NE 3.47Å; K149-R178 WeakPolarHBondContact O-CA 3.44Å; L176-R178 PolarHBondContact O-N 3.35Å
179	G	96.6	Very high	94.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.2	-152.6	172.4	0	0	0	0	0	112.5	D89 G91 T148 K149	D89-G179 WeakPolarHBondContact O-CA 3.39Å; G91-G179 WeakPolarHBondContact O-CA 3.36Å; T148-G179 WeakPolarHBondContact CA-O 3.35Å; T148-G179 PolarHBondContact OG1-O 3.18Å; T148-G179 VanDerWaalsContact OG1-O 3.05Å; K149-G179 PolarHBondContact N-O 3.33Å; K149-G179 PolarHBondContact O-N 3.28Å
180	T	97.9	Very high	94.3	Very high	9 Å²	9	54.2 Å²	54.2	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.4	-175.2	-53.7	0	0	0	0	112.1	T88 D89 M94 V146 I147 T148 V182	T88-T180 WeakPolarHBondContact CA-O 3.2Å; D89-T180 PolarHBondContact N-O 3.43Å; D89-T180 PolarHBondContact O-N 3.13Å; D89-T180 VanDerWaalsContact OD2-CB 3.31Å; D89-T180 WeakPolarHBondContact OD2-CB 3.28Å; M94-T180 HydrophobicContact CE-CG2 4.26Å; V146-T180 HydrophobicContact CG1-CG2 3.41Å; V146-T180 VanDerWaalsContact CG1-CG2 3.41Å; I147-T180 CarbonylContact O-C 3.56Å; I147-T180 WeakPolarHBondContact O-CA 3.5Å; I147-T180 WeakPolarHBondContact O-CG2 3.47Å; T148-T180 PolarHBondContact OG1-OG1 2.91Å; T180-V182 HydrophobicContact CG2-CG2 4.12Å
181	K	97.7	Very high	94.2	Very high	56 Å²	56	53.3 Å²	53.3	24%	0.243	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115	171.9	-178.7	-179.3	-177.6	-180	0	108.8	T86 L87 V146 I147 L176 I183	T86-K181 HydrophobicContact CG2-CD 4.2Å; T86-K181 HydrophobicContact CG2-CG 3.7Å; L87-K181 CarbonylContact O-C 3.58Å; L87-K181 WeakPolarHBondContact O-CA 3.43Å; V146-K181 WeakPolarHBondContact CA-O 3.34Å; I147-K181 HydrophobicContact CB-CB 4.34Å; I147-K181 PolarHBondContact N-O 3.21Å; I147-K181 PolarHBondContact O-N 2.68Å; L176-K181 HydrophobicContact CD1-CB 4.19Å; L176-K181 HydrophobicContact CD2-CB 4.1Å; L176-K181 HydrophobicContact CD2-CD 4.39Å; K181-I183 HydrophobicContact CD-CD1 4.42Å; K181-I183 HydrophobicContact CD-CG1 4.47Å; K181-I183 HydrophobicContact CG-CG1 4.15Å
182	V	98.1	Very high	94.3	Very high	12 Å²	12	55.9 Å²	55.9	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.7	176.7	-176.5	0	0	0	0	108.6	L44 T86 L87 V144 V146 T180 L184	L44-V182 HydrophobicContact CD2-CG1 4.37Å; T86-V182 CarbonylContact C-O 3.52Å; T86-V182 WeakPolarHBondContact CA-O 3.47Å; L87-V182 HydrophobicContact CB-CB 4.45Å; L87-V182 PolarHBondContact N-O 3.43Å; L87-V182 PolarHBondContact O-N 3.16Å; V144-V182 HydrophobicContact CG1-CG1 4Å; V146-V182 HydrophobicContact CG2-CG1 4.42Å; V146-V182 HydrophobicContact CG2-CG2 4.38Å; T180-V182 HydrophobicContact CG2-CG2 4.12Å; V182-L184 HydrophobicContact CG1-CD2 3.9Å; V182-L184 HydrophobicContact CG1-CG 4.47Å
183	I	97.9	Very high	94.6	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.128	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.6	179.4	-52.2	170	0	0	0	107.8	T84 T86 V144 T145 I147 K181	T84-I183 HydrophobicContact CG2-CG2 4.24Å; T86-I183 HydrophobicContact CG2-CG1 4.47Å; V144-I183 WeakPolarHBondContact CA-O 3.38Å; T145-I183 PolarHBondContact N-O 2.89Å; T145-I183 PolarHBondContact O-N 3.35Å; I147-I183 HydrophobicContact CD1-CD1 4.12Å; K181-I183 HydrophobicContact CD-CD1 4.42Å; K181-I183 HydrophobicContact CD-CG1 4.47Å; K181-I183 HydrophobicContact CG-CG1 4.15Å
184	L	98.1	Very high	94.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.3	177.3	-55	179.7	0	0	0	108.8	F40 L44 T84 L85 A137 A141 V144 V182 L186	F40-L184 HydrophobicContact CD2-CD1 3.78Å; F40-L184 HydrophobicContact CE2-CD1 3.56Å; L44-L184 HydrophobicContact CD1-CD1 3.77Å; L44-L184 HydrophobicContact CD1-CD2 4.24Å; L44-L184 HydrophobicContact CD1-CG 4.43Å; T84-L184 CarbonylContact C-O 3.47Å; T84-L184 WeakPolarHBondContact CA-O 3.28Å; L85-L184 HydrophobicContact CB-CB 4.32Å; L85-L184 HydrophobicContact CB-CD1 4.45Å; L85-L184 HydrophobicContact CD2-CD1 4.35Å; L85-L184 PolarHBondContact N-O 3.21Å; L85-L184 WeakPolarHBondContact O-CB 3.49Å; L85-L184 PolarHBondContact O-N 3Å; A137-L184 HydrophobicContact CB-CD2 3.81Å; A141-L184 HydrophobicContact CB-CB 4.13Å; A141-L184 HydrophobicContact CB-CD2 4.35Å; V144-L184 HydrophobicContact CG1-CD2 4.09Å; V144-L184 HydrophobicContact CG2-CD2 3.87Å; V182-L184 HydrophobicContact CG1-CD2 3.9Å; V182-L184 HydrophobicContact CG1-CG 4.47Å; L184-L186 HydrophobicContact CB-CD2 4.03Å; L184-L186 PolarHBondContact O-N 3.43Å
185	H	97.6	Very high	95.1	Very high	56 Å²	56	43.9 Å²	43.9	26%	0.259	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	100.7	168.1	-59.9	-89.9	0	0	0	107.6	T84 A141 E142 K143 T145	T84-H185 WeakPolarHBondContact CG2-ND1 3.49Å; A141-H185 CarbonylContact C-O 3.52Å; A141-H185 WeakPolarHBondContact CA-O 3.36Å; A141-H185 WeakPolarHBondContact CB-O 3.38Å; E142-H185 PolarHBondContact N-O 3.29Å; K143-H185 HydrophobicContact CB-CB 4.03Å; K143-H185 VanDerWaalsContact CE-CD2 3.41Å; K143-H185 WeakPolarHBondContact CE-CD2 3.44Å; K143-H185 WeakPolarHBondContact CE-NE2 3.5Å; K143-H185 WeakPolarHBondContact O-CB 3.29Å; K143-H185 PolarHBondContact O-CD2 3.5Å; K143-H185 PolarHBondContact O-N 2.86Å; T145-H185 PolarHBondContact OG1-NE2 3.23Å
186	L	96.9	Very high	95.2	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	146.5	-171.3	-60.6	-179.5	0	0	0	111	R83 L85 V140 L184 L194	R83-L186 PolarHBondContact O-N 3.25Å; R83-L186 VanDerWaalsContact O-N 3.08Å; L85-L186 HydrophobicContact CB-CD1 4.3Å; L85-L186 HydrophobicContact CB-CD2 4.48Å; V140-L186 HydrophobicContact CB-CD2 4.37Å; V140-L186 HydrophobicContact CG2-CD2 4Å; L184-L186 HydrophobicContact CB-CD2 4.03Å; L184-L186 PolarHBondContact O-N 3.43Å; L186-L194 HydrophobicContact CD1-CD1 4.13Å; L186-L194 HydrophobicContact CD1-CD2 3.57Å; L186-L194 HydrophobicContact CD1-CG 3.62Å
187	K	95.7	Very high	95.4	Very high	54 Å²	54	47.4 Å²	47.4	24%	0.235	23%	0.233	C	C	.	.			trans	-61.6	152.7	168.6	-67.3	166.5	-174.5	170.7	0	110	Y138 L139 V140 A141 E142 D189 Q190	Y138-K187 PolarHBondContact O-NZ 3.36Å; L139-K187 PolarHBondContact O-NZ 3.37Å; V140-K187 WeakPolarHBondContact O-CG 3.45Å; V140-K187 PolarHBondContact O-N 3.28Å; A141-K187 WeakPolarHBondContact O-CE 3.47Å; E142-K187 HydrophobicContact CG-CB 4.11Å; E142-K187 HydrophobicContact CG-CG 3.36Å; K187-D189 VanDerWaalsContact CB-OD1 3.24Å; K187-D189 WeakPolarHBondContact CB-OD1 3.4Å; K187-D189 PolarHBondContact O-N 2.93Å; K187-D189 VanDerWaalsContact O-N 3.16Å; K187-Q190 HydrophobicContact CB-CB 4.3Å; K187-Q190 HydrophobicContact CB-CG 3.8Å; K187-Q190 HydrophobicContact CD-CG 4.34Å; K187-Q190 PolarHBondContact O-N 2.72Å
188	E	93.6	Very high	95.6	Very high	130 Å²	130	46.9 Å²	46.9	61%	0.607	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-58.5	-32.5	-177.5	-52.8	-156.4	131.4	0	0	113.2	R83 Q190	R83-E188 IonicContact CZ-OE1 3.53Å; R83-E188 IonicContact NH1-OE1 3.29Å; R83-E188 PolarHBondContact NH1-OE1 2.85Å; R83-E188 IonicContact NH2-OE1 2.82Å; E188-Q190 VanDerWaalsContact C-N 3.33Å
189	D	94.8	Very high	95.5	Very high	106 Å²	106	46.6 Å²	46.6	57%	0.567	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-86.4	3.2	179.5	72.2	-39.7	0	0	0	113.9	K187	K187-D189 VanDerWaalsContact CB-OD1 3.24Å; K187-D189 WeakPolarHBondContact CB-OD1 3.4Å; K187-D189 PolarHBondContact O-N 2.93Å; K187-D189 VanDerWaalsContact O-N 3.16Å
190	Q	95.5	Very high	95.4	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.042	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-116.9	21.9	-175.4	-54.2	-63.9	-58	0	0	112.5	V140 K187 E188 E192 Y193	V140-Q190 HydrophobicContact CB-CB 4.24Å; V140-Q190 HydrophobicContact CB-CG 4.27Å; K187-Q190 HydrophobicContact CB-CB 4.3Å; K187-Q190 HydrophobicContact CB-CG 3.8Å; K187-Q190 HydrophobicContact CD-CG 4.34Å; K187-Q190 PolarHBondContact O-N 2.72Å; E188-Q190 VanDerWaalsContact C-N 3.33Å; Q190-E192 PolarHBondContact O-N 3.33Å; Q190-Y193 HydrophobicContact CB-CD2 4.12Å; Q190-Y193 HydrophobicContact CB-CE2 4.35Å; Q190-Y193 WeakPolarHBondContact O-CD2 3.35Å; Q190-Y193 PolarHBondContact O-N 3.43Å
191	T	93.6	Very high	95.2	Very high	69 Å²	69	52.4 Å²	52.4	42%	0.423	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.4	-16	177.8	50.6	0	0	0	0	113.5	Y193 L194	T191-Y193 PolarHBondContact O-N 3.37Å; T191-Y193 VanDerWaalsContact O-N 3.14Å; T191-L194 WeakPolarHBondContact O-CB 3.47Å; T191-L194 PolarHBondContact O-N 3.06Å
192	E	95.4	Very high	95	Very high	77 Å²	77	49.9 Å²	49.9	36%	0.36	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-55	-29.7	173.2	64.1	166.8	173.4	0	0	112.9	Q190 L194 E195 R198	Q190-E192 PolarHBondContact O-N 3.33Å; E192-L194 PolarHBondContact O-N 3.47Å; E192-E195 WeakPolarHBondContact O-CB 3.39Å; E192-E195 PolarHBondContact O-N 3.49Å; E192-E195 VanDerWaalsContact O-N 3.13Å; E192-R198 WeakPolarHBondContact O-CB 3.27Å; E192-R198 WeakPolarHBondContact O-CG 3.47Å; E192-R198 IonicContact OE2-NE 3.65Å
193	Y	95.8	Very high	94.7	Very high	6 Å²	6	49.3 Å²	49.3	2%	0.024	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-78.2	-1.5	179.4	-60.5	-72	0	0	0	113.7	E38 F40 V140 Q190 T191 R198 V199 I202	E38-Y193 HydrophobicContact CB-CE1 4.3Å; F40-Y193 AromaticContact CE1-CD1 3.53Å; F40-Y193 HydrophobicContact CE1-CD1 3.53Å; F40-Y193 HydrophobicContact CE1-CD2 4.23Å; F40-Y193 AromaticContact CE1-CE1 3.71Å; F40-Y193 HydrophobicContact CE1-CE1 3.71Å; F40-Y193 HydrophobicContact CE1-CE2 4.43Å; F40-Y193 AromaticContact CE1-CG 3.81Å; F40-Y193 HydrophobicContact CE1-CG 3.81Å; F40-Y193 AromaticContact CZ-CD1 3.96Å; F40-Y193 HydrophobicContact CZ-CD1 3.96Å; F40-Y193 AromaticContact CZ-CG 3.99Å; F40-Y193 HydrophobicContact CZ-CG 3.99Å; V140-Y193 HydrophobicContact CB-CD2 4.35Å; V140-Y193 HydrophobicContact CB-CE2 4.4Å; V140-Y193 HydrophobicContact CG1-CD2 4.03Å; V140-Y193 HydrophobicContact CG1-CE2 3.63Å; Q190-Y193 HydrophobicContact CB-CD2 4.12Å; Q190-Y193 HydrophobicContact CB-CE2 4.35Å; Q190-Y193 WeakPolarHBondContact O-CD2 3.35Å; Q190-Y193 PolarHBondContact O-N 3.43Å; T191-Y193 PolarHBondContact O-N 3.37Å; T191-Y193 VanDerWaalsContact O-N 3.14Å; Y193-R198 HydrophobicContact CD1-CG 4.05Å; Y193-R198 HydrophobicContact CE1-CG 4.33Å; Y193-V199 WeakPolarHBondContact O-CG2 3.45Å; Y193-I202 HydrophobicContact CD1-CD1 3.53Å; Y193-I202 HydrophobicContact CE1-CD1 3.45Å; Y193-I202 VanDerWaalsContact CE1-CD1 3.45Å
194	L	94.2	Very high	94.3	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-92.8	-7.2	169	-56.6	172.9	0	0	0	112	P78 K80 T84 L85 L186 T191 E192	P78-L194 HydrophobicContact CB-CB 4.48Å; P78-L194 HydrophobicContact CB-CD2 4.06Å; K80-L194 HydrophobicContact CG-CB 4.18Å; T84-L194 VanDerWaalsContact O-CD2 3.23Å; T84-L194 WeakPolarHBondContact O-CD2 3.48Å; L85-L194 HydrophobicContact CB-CD2 4.27Å; L186-L194 HydrophobicContact CD1-CD1 4.13Å; L186-L194 HydrophobicContact CD1-CD2 3.57Å; L186-L194 HydrophobicContact CD1-CG 3.62Å; T191-L194 WeakPolarHBondContact O-CB 3.47Å; T191-L194 PolarHBondContact O-N 3.06Å; E192-L194 PolarHBondContact O-N 3.47Å
195	E	93.5	Very high	93.9	Very high	91 Å²	91	56.9 Å²	56.9	43%	0.425	26%	0.262	S	S	.	.	S	Bend	trans	-78.4	128.8	174.2	-61.5	-174.2	177.8	0	0	111.1	E192 R197 R198 V199	E192-E195 WeakPolarHBondContact O-CB 3.39Å; E192-E195 PolarHBondContact O-N 3.49Å; E192-E195 VanDerWaalsContact O-N 3.13Å; E195-R197 VanDerWaalsContact C-N 3.26Å; E195-R197 PolarHBondContact O-N 2.88Å; E195-R198 HydrophobicContact CB-CB 4.2Å; E195-R198 PolarHBondContact O-N 3.13Å; E195-R198 VanDerWaalsContact O-N 3.07Å; E195-V199 PolarHBondContact O-N 3.05Å; E195-V199 VanDerWaalsContact O-N 3.09Å
196	E	91.9	Very high	93.5	Very high	73 Å²	73	54.6 Å²	54.6	34%	0.341	25%	0.251	S	S	.	.	H	α-helix	trans	-49.9	-47.5	176	-179.7	-166.5	157.7	0	0	111.8	R198 V199 K200 L216 V218	E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.95Å; E196-V199 PolarHBondContact O-N 2.81Å; E196-K200 HydrophobicContact CG-CD 4.01Å; E196-K200 HydrophobicContact CG-CG 4.48Å; E196-K200 WeakPolarHBondContact O-CB 3.11Å; E196-K200 VanDerWaalsContact O-CG 3.3Å; E196-K200 WeakPolarHBondContact O-CG 3.47Å; E196-K200 PolarHBondContact O-N 3.01Å; E196-K200 VanDerWaalsContact OE1-CE 3.24Å; E196-K200 WeakPolarHBondContact OE1-CE 3.47Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 3.35Å; E196-L216 HydrophobicContact CG-CD2 4.05Å; E196-V218 HydrophobicContact CB-CG1 4.44Å; E196-V218 HydrophobicContact CG-CG1 4.15Å; E196-V218 HydrophobicContact CG-CG2 3.93Å; E196-V218 WeakPolarHBondContact OE2-CG1 3.32Å
197	R	93.3	Very high	93.2	Very high	160 Å²	160	54.3 Å²	54.3	60%	0.604	25%	0.25	S	C	*	.	H	α-helix	trans	-57.5	-44.6	-179.2	-171.2	-172.9	68.3	76.7	2.2	111.6	E195 E201	E195-R197 VanDerWaalsContact C-N 3.26Å; E195-R197 PolarHBondContact O-N 2.88Å; R197-E201 IonicContact NH1-OE2 3.72Å; R197-E201 PolarHBondContact NH1-OE2 3.43Å; R197-E201 WeakPolarHBondContact O-CB 3.34Å; R197-E201 PolarHBondContact O-N 2.95Å
198	R	94.3	Very high	92.8	Very high	25 Å²	25	52.2 Å²	52.2	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-69.7	-44.5	-176.9	-174	60.5	177.9	137.7	9.3	111.3	E38 E192 Y193 E195 E196 K200 E201 I202	E38-R198 IonicContact OE2-CZ 3.08Å; E38-R198 IonicContact OE2-NH1 2.61Å; E38-R198 PolarHBondContact OE2-NH1 3.42Å; E38-R198 IonicContact OE2-NH2 2.72Å; E38-R198 PolarHBondContact OE2-NH2 2.86Å; E192-R198 WeakPolarHBondContact O-CB 3.27Å; E192-R198 WeakPolarHBondContact O-CG 3.47Å; E192-R198 IonicContact OE2-NE 3.65Å; Y193-R198 HydrophobicContact CD1-CG 4.05Å; Y193-R198 HydrophobicContact CE1-CG 4.33Å; E195-R198 HydrophobicContact CB-CB 4.2Å; E195-R198 PolarHBondContact O-N 3.13Å; E195-R198 VanDerWaalsContact O-N 3.07Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.95Å; R198-K200 PolarHBondContact O-N 3.07Å; R198-E201 IonicContact NH1-OE1 3.64Å; R198-E201 PolarHBondContact NH1-OE1 3.38Å; R198-E201 IonicContact NH1-OE2 3.24Å; R198-E201 WeakPolarHBondContact O-CB 3.44Å; R198-E201 PolarHBondContact O-N 2.85Å; R198-I202 HydrophobicContact CG-CD1 4.02Å; R198-I202 WeakPolarHBondContact O-CD1 3.32Å; R198-I202 VanDerWaalsContact O-CG1 3.27Å; R198-I202 WeakPolarHBondContact O-CG1 3.31Å; R198-I202 PolarHBondContact O-N 2.98Å; R198-I202 VanDerWaalsContact O-N 3.1Å
199	V	94.1	Very high	92.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-46.6	176.4	178.4	0	0	0	0	110.8	L41 I76 Y193 E195 E196 E201 I202 V203 L216	L41-V199 HydrophobicContact CD2-CG1 4.15Å; I76-V199 HydrophobicContact CD1-CG1 4.26Å; I76-V199 HydrophobicContact CG2-CG1 4.1Å; Y193-V199 WeakPolarHBondContact O-CG2 3.45Å; E195-V199 PolarHBondContact O-N 3.05Å; E195-V199 VanDerWaalsContact O-N 3.09Å; E196-V199 PolarHBondContact O-N 2.81Å; V199-E201 VanDerWaalsContact C-N 3.34Å; V199-E201 PolarHBondContact O-N 2.94Å; V199-I202 PolarHBondContact O-N 3.26Å; V199-V203 HydrophobicContact CG1-CG2 4.29Å; V199-V203 WeakPolarHBondContact O-CG2 3.41Å; V199-V203 PolarHBondContact O-N 3.2Å; V199-L216 HydrophobicContact CB-CD1 4.44Å; V199-L216 HydrophobicContact CB-CD2 4.41Å; V199-L216 HydrophobicContact CG1-CD1 3.81Å; V199-L216 HydrophobicContact CG1-CD2 4.27Å
200	K	93.5	Very high	92.4	Very high	47 Å²	47	41.4 Å²	41.4	20%	0.204	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-42.9	176.8	-74.3	-177.1	175	-177.3	0	112.5	E196 R198 K204 L216 E289 L291	E196-K200 HydrophobicContact CG-CD 4.01Å; E196-K200 HydrophobicContact CG-CG 4.48Å; E196-K200 WeakPolarHBondContact O-CB 3.11Å; E196-K200 VanDerWaalsContact O-CG 3.3Å; E196-K200 WeakPolarHBondContact O-CG 3.47Å; E196-K200 PolarHBondContact O-N 3.01Å; E196-K200 VanDerWaalsContact OE1-CE 3.24Å; E196-K200 WeakPolarHBondContact OE1-CE 3.47Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 3.35Å; R198-K200 PolarHBondContact O-N 3.07Å; K200-K204 WeakPolarHBondContact O-CB 3.48Å; K200-K204 PolarHBondContact O-N 2.9Å; K200-L216 HydrophobicContact CG-CD2 3.97Å; K200-E289 VanDerWaalsContact CE-OE1 3.3Å; K200-E289 WeakPolarHBondContact CE-OE1 3.29Å; K200-E289 WeakPolarHBondContact CE-OE2 3.46Å; K200-E289 IonicContact NZ-OE1 3.5Å; K200-E289 PolarHBondContact NZ-OE1 3.41Å; K200-E289 IonicContact NZ-OE2 3.82Å; K200-E289 PolarHBondContact NZ-OE2 2.91Å; K200-L291 HydrophobicContact CD-CD2 4.45Å; K200-L291 HydrophobicContact CG-CD2 3.86Å
201	E	92.8	Very high	92.1	Very high	85 Å²	85	43.7 Å²	43.7	40%	0.397	21%	0.214	S	C	.	.	H	α-helix	trans	-59.4	-46.8	177.6	-171.7	-173.7	152.2	0	0	111.7	R197 R198 V199 K205	R197-E201 IonicContact NH1-OE2 3.72Å; R197-E201 PolarHBondContact NH1-OE2 3.43Å; R197-E201 WeakPolarHBondContact O-CB 3.34Å; R197-E201 PolarHBondContact O-N 2.95Å; R198-E201 IonicContact NH1-OE1 3.64Å; R198-E201 PolarHBondContact NH1-OE1 3.38Å; R198-E201 IonicContact NH1-OE2 3.24Å; R198-E201 WeakPolarHBondContact O-CB 3.44Å; R198-E201 PolarHBondContact O-N 2.85Å; V199-E201 VanDerWaalsContact C-N 3.34Å; V199-E201 PolarHBondContact O-N 2.94Å; E201-K205 VanDerWaalsContact O-CB 3.26Å; E201-K205 WeakPolarHBondContact O-CB 3.44Å; E201-K205 PolarHBondContact O-N 3.23Å
202	I	93.8	Very high	92	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-46.4	-178.1	-62.3	164.6	0	0	0	110.9	E38 L41 Y193 R198 V199 K205 H206	E38-I202 HydrophobicContact CB-CD1 4.03Å; E38-I202 HydrophobicContact CB-CG1 4.1Å; L41-I202 HydrophobicContact CB-CG2 3.95Å; L41-I202 HydrophobicContact CD2-CB 4.24Å; L41-I202 HydrophobicContact CD2-CG2 3.92Å; L41-I202 HydrophobicContact CG-CG2 4.39Å; Y193-I202 HydrophobicContact CD1-CD1 3.53Å; Y193-I202 HydrophobicContact CE1-CD1 3.45Å; Y193-I202 VanDerWaalsContact CE1-CD1 3.45Å; R198-I202 HydrophobicContact CG-CD1 4.02Å; R198-I202 WeakPolarHBondContact O-CD1 3.32Å; R198-I202 VanDerWaalsContact O-CG1 3.27Å; R198-I202 WeakPolarHBondContact O-CG1 3.31Å; R198-I202 PolarHBondContact O-N 2.98Å; R198-I202 VanDerWaalsContact O-N 3.1Å; V199-I202 PolarHBondContact O-N 3.26Å; I202-K205 PolarHBondContact O-N 2.96Å; I202-H206 WeakPolarHBondContact O-CB 3.49Å; I202-H206 PolarHBondContact O-CD2 2.8Å; I202-H206 PolarHBondContact O-N 2.71Å
203	V	92.9	Very high	92	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-44.1	178.6	176	0	0	0	0	110.8	L41 I45 I76 V199 K205 H206 S207 Q208 I214 L291	L41-V203 HydrophobicContact CD2-CG2 3.83Å; I45-V203 HydrophobicContact CD1-CG2 3.91Å; I76-V203 HydrophobicContact CD1-CG2 3.86Å; V199-V203 HydrophobicContact CG1-CG2 4.29Å; V199-V203 WeakPolarHBondContact O-CG2 3.41Å; V199-V203 PolarHBondContact O-N 3.2Å; V203-K205 PolarHBondContact O-N 3.13Å; V203-H206 PolarHBondContact O-N 2.78Å; V203-S207 CarbonylContact O-C 3.57Å; V203-S207 WeakPolarHBondContact O-CA 3.49Å; V203-S207 PolarHBondContact O-N 3.14Å; V203-Q208 PolarHBondContact O-N 3.16Å; V203-I214 HydrophobicContact CG1-CD1 4.19Å; V203-I214 HydrophobicContact CG1-CG2 4.18Å; V203-L291 HydrophobicContact CB-CD1 3.8Å; V203-L291 HydrophobicContact CG1-CB 3.81Å; V203-L291 HydrophobicContact CG1-CD1 3.73Å; V203-L291 HydrophobicContact CG1-CG 4.45Å; V203-L291 HydrophobicContact CG2-CD1 3.82Å
204	K	89.8	Confident	92	Very high	105 Å²	105	39.9 Å²	39.9	46%	0.457	20%	0.195	S	C	.	.	H	α-helix	trans	-62.5	-32.4	176.4	-174.9	174.8	179.4	179.6	0	112.1	K200 N319	K200-K204 WeakPolarHBondContact O-CB 3.48Å; K200-K204 PolarHBondContact O-N 2.9Å; K204-N319 PolarHBondContact NZ-OD1 2.92Å
205	K	88.2	Confident	92.1	Very high	81 Å²	81	40.4 Å²	40.4	35%	0.352	20%	0.198	S	C	.	.	H	α-helix	trans	-76	-48	178.2	-176.9	175.5	176.3	-174.2	0	112.3	E38 E201 I202 V203 F370	E38-K205 WeakPolarHBondContact OE1-CE 3.47Å; E38-K205 IonicContact OE1-NZ 3.95Å; E38-K205 PolarHBondContact OE1-NZ 3.31Å; E201-K205 VanDerWaalsContact O-CB 3.26Å; E201-K205 WeakPolarHBondContact O-CB 3.44Å; E201-K205 PolarHBondContact O-N 3.23Å; I202-K205 PolarHBondContact O-N 2.96Å; V203-K205 PolarHBondContact O-N 3.13Å; K205-F370 HydrophobicContact CG-CD1 4.34Å; K205-F370 HydrophobicContact CG-CE1 4.39Å; K205-F370 VanDerWaalsContact O-CB 3.29Å; K205-F370 WeakPolarHBondContact O-CB 3.37Å; K205-F370 WeakPolarHBondContact O-CG 3.35Å
206	H	89.6	Confident	92.2	Very high	8 Å²	8	36 Å²	36	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-104.9	-26.9	-164.4	-67	-69.7	0	0	0	115	E38 R42 I202 V203 F370	E38-H206 IonicContact OE1-CE1 3.28Å; E38-H206 IonicContact OE1-NE2 3.79Å; E38-H206 PolarHBondContact OE1-NE2 2.92Å; R42-H206 HydrophobicContact CB-CB 3.85Å; R42-H206 HydrophobicContact CG-CB 3.89Å; I202-H206 WeakPolarHBondContact O-CB 3.49Å; I202-H206 PolarHBondContact O-CD2 2.8Å; I202-H206 PolarHBondContact O-N 2.71Å; V203-H206 PolarHBondContact O-N 2.78Å; H206-F370 AromaticContact ND1-CD1 3.7Å
207	S	90.7	Very high	92.2	Very high	1 Å²	1	34 Å²	34	1%	0.007	17%	0.168	C	C	.	.	S	Bend	trans	-129.7	18	-167.2	-57.8	0	0	0	0	113.3	V203 F209 I210	V203-S207 CarbonylContact O-C 3.57Å; V203-S207 WeakPolarHBondContact O-CA 3.49Å; V203-S207 PolarHBondContact O-N 3.14Å; S207-F209 PolarHBondContact O-N 3.08Å; S207-F209 VanDerWaalsContact O-N 3.14Å; S207-I210 PolarHBondContact O-N 3.5Å
208	Q	87.5	Confident	91.7	Very high	11 Å²	11	27 Å²	27	5%	0.051	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.5	-178.9	-174.4	176.7	11.8	0	0	113.4	V203 N292 T294	V203-Q208 PolarHBondContact O-N 3.16Å; Q208-N292 WeakPolarHBondContact O-CB 3.4Å; Q208-T294 PolarHBondContact NE2-OG1 3.5Å
209	F	90	Very high	91	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	18	-171.4	-57.8	-62.9	0	0	0	113.7	S207 T294 P296 W298 F313 Y365 R368	S207-F209 PolarHBondContact O-N 3.08Å; S207-F209 VanDerWaalsContact O-N 3.14Å; F209-T294 HydrophobicContact CE1-CG2 3.91Å; F209-P296 HydrophobicContact CB-CB 4.31Å; F209-P296 HydrophobicContact CD1-CB 4.18Å; F209-W298 HydrophobicContact CB-CH2 4.04Å; F209-W298 HydrophobicContact CB-CZ2 4.31Å; F209-W298 AromaticContact CD1-CH2 3.76Å; F209-W298 HydrophobicContact CD1-CH2 3.76Å; F209-W298 HydrophobicContact CD1-CZ3 4.19Å; F209-W298 AromaticContact CD2-CH2 3.48Å; F209-W298 HydrophobicContact CD2-CH2 3.48Å; F209-W298 VanDerWaalsContact CD2-CH2 3.48Å; F209-W298 HydrophobicContact CD2-CZ2 4.33Å; F209-W298 HydrophobicContact CD2-CZ3 4.35Å; F209-W298 HydrophobicContact CE1-CH2 4.01Å; F209-W298 HydrophobicContact CE1-CZ3 4.06Å; F209-W298 AromaticContact CE2-CH2 3.71Å; F209-W298 HydrophobicContact CE2-CH2 3.71Å; F209-W298 HydrophobicContact CE2-CZ3 4.19Å; F209-W298 AromaticContact CG-CH2 3.47Å; F209-W298 HydrophobicContact CG-CH2 3.47Å; F209-W298 VanDerWaalsContact CG-CH2 3.47Å; F209-W298 HydrophobicContact CG-CZ2 4.22Å; F209-W298 HydrophobicContact CG-CZ3 4.32Å; F209-W298 AromaticContact CZ-CH2 3.97Å; F209-W298 HydrophobicContact CZ-CH2 3.97Å; F209-W298 HydrophobicContact CZ-CZ3 4.04Å; F209-F313 AromaticContact CE1-CE2 3.63Å; F209-F313 HydrophobicContact CE1-CE2 3.63Å; F209-F313 HydrophobicContact CE1-CZ 4.27Å; F209-F313 AromaticContact CZ-CE2 3.83Å; F209-F313 HydrophobicContact CZ-CE2 3.83Å; F209-F313 HydrophobicContact CZ-CZ 4.02Å; F209-Y365 HydrophobicContact CD2-CD1 4.1Å; F209-Y365 AromaticContact CD2-CE1 3.52Å; F209-Y365 HydrophobicContact CD2-CE1 3.52Å; F209-Y365 HydrophobicContact CD2-CE2 4.47Å; F209-Y365 AromaticContact CD2-CZ 3.74Å; F209-Y365 AromaticContact CE2-CE1 3.91Å; F209-Y365 HydrophobicContact CE2-CE1 3.91Å; F209-Y365 HydrophobicContact CE2-CE2 4.21Å; F209-Y365 AromaticContact CE2-CZ 3.61Å; F209-Y365 WeakPolarHBondContact CE2-OH 3.32Å; F209-R368 HydrophobicContact CB-CB 4.13Å; F209-R368 WeakPolarHBondContact O-CB 3.44Å; F209-R368 WeakPolarHBondContact O-CD 3.43Å
210	I	90.1	Very high	90.4	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.036	18%	0.179	C	C	.	.			trans	-62.6	135.8	168.2	-63.7	-62.5	0	0	0	108.7	I45 I74 I127 S207 Y212 I214 N292 V369	I45-I210 HydrophobicContact CG2-CG1 4.09Å; I74-I210 HydrophobicContact CD1-CG2 4.43Å; I127-I210 HydrophobicContact CD1-CD1 4.37Å; S207-I210 PolarHBondContact O-N 3.5Å; I210-Y212 PolarHBondContact O-N 3.22Å; I210-I214 HydrophobicContact CB-CD1 4.09Å; I210-I214 HydrophobicContact CG1-CD1 4.39Å; I210-I214 HydrophobicContact CG2-CD1 4.41Å; I210-N292 PolarHBondContact O-ND2 3.04Å; I210-V369 HydrophobicContact CD1-CG2 4.24Å
211	G	88.2	Confident	89.8	Confident	58 Å²	58	37.4 Å²	37.4	60%	0.598	19%	0.193	S	C	*	.	S	Bend	trans	-73.4	-8.4	-170.8	0	0	0	0	0	115.2
212	Y	92.4	Very high	89.1	Confident	19 Å²	19	39.6 Å²	39.6	8%	0.075	20%	0.197	C	C	.	.	S	Bend	trans	-110.6	143.8	-177.9	-63	-77.7	0	0	0	110.9	L52 D53 R56 L72 I210 I214 N292	L52-Y212 VanDerWaalsContact C-OH 3.27Å; L52-Y212 HydrophobicContact CB-CD1 4.08Å; L52-Y212 HydrophobicContact CB-CD2 3.82Å; L52-Y212 HydrophobicContact CB-CE1 3.81Å; L52-Y212 HydrophobicContact CB-CE2 3.56Å; L52-Y212 HydrophobicContact CB-CG 4.06Å; L52-Y212 HydrophobicContact CD1-CD1 4.01Å; L52-Y212 HydrophobicContact CD1-CD2 3.85Å; L52-Y212 HydrophobicContact CD1-CE2 4.46Å; L52-Y212 HydrophobicContact CD1-CG 3.59Å; L52-Y212 HydrophobicContact CG-CD2 4.5Å; L52-Y212 HydrophobicContact CG-CG 4.43Å; L52-Y212 PolarHBondContact O-OH 3.03Å; D53-Y212 WeakPolarHBondContact CA-OH 3.2Å; D53-Y212 PolarHBondContact N-OH 3.44Å; D53-Y212 PolarHBondContact OD1-OH 2.64Å; R56-Y212 WeakPolarHBondContact CD-OH 3.32Å; L72-Y212 HydrophobicContact CB-CD1 3.8Å; L72-Y212 HydrophobicContact CB-CE1 3.81Å; L72-Y212 HydrophobicContact CD1-CE1 3.88Å; L72-Y212 HydrophobicContact CG-CE1 4.49Å; I210-Y212 PolarHBondContact O-N 3.22Å; Y212-I214 PolarHBondContact O-N 3.07Å; Y212-N292 PolarHBondContact O-ND2 2.86Å
213	P	94.5	Very high	88.4	Confident	53 Å²	53	44.3 Å²	44.3	34%	0.344	22%	0.222	S	C	.	.			trans	-58.3	130.6	177.6	-23.7	34	0	0	0	112.2	L72 I74	L72-P213 WeakPolarHBondContact O-CD 3.28Å; I74-P213 PolarHBondContact N-O 2.92Å
214	I	96.1	Very high	87.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	112.2	174.4	-56.5	170.2	0	0	0	107.6	I45 I74 I76 V203 I210 Y212 E290 L291 N292	I45-I214 HydrophobicContact CG2-CD1 3.82Å; I74-I214 HydrophobicContact CB-CG1 4.35Å; I74-I214 HydrophobicContact CD1-CG1 4.38Å; I74-I214 CarbonylContact O-C 3.6Å; I74-I214 WeakPolarHBondContact O-CA 3.42Å; I76-I214 HydrophobicContact CD1-CG2 3.77Å; I76-I214 HydrophobicContact CG1-CG2 4.43Å; V203-I214 HydrophobicContact CG1-CD1 4.19Å; V203-I214 HydrophobicContact CG1-CG2 4.18Å; I210-I214 HydrophobicContact CB-CD1 4.09Å; I210-I214 HydrophobicContact CG1-CD1 4.39Å; I210-I214 HydrophobicContact CG2-CD1 4.41Å; Y212-I214 PolarHBondContact O-N 3.07Å; I214-E290 WeakPolarHBondContact O-CA 3.44Å; I214-L291 HydrophobicContact CG2-CD1 4.42Å; I214-L291 PolarHBondContact O-N 3.02Å; I214-N292 HydrophobicContact CD1-CB 4.44Å; I214-N292 PolarHBondContact N-OD1 3.14Å
215	T	96.3	Very high	86.2	Confident	19 Å²	19	48.5 Å²	48.5	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.4	-178.6	56.4	0	0	0	0	111.4	I74 E75 I76 E289	I74-T215 PolarHBondContact O-N 2.83Å; I74-T215 PolarHBondContact O-OG1 2.92Å; E75-T215 WeakPolarHBondContact CA-O 3.1Å; I76-T215 PolarHBondContact N-O 2.94Å; T215-E289 CarbonylContact C-O 3.52Å; T215-E289 WeakPolarHBondContact CA-O 3.49Å
216	L	95.3	Very high	84.8	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.3	172.4	-177.8	63.4	0	0	0	110.1	I76 P78 E196 V199 K200 V218 E289 L291	I76-L216 HydrophobicContact CB-CD1 3.92Å; I76-L216 HydrophobicContact CG2-CD1 3.77Å; P78-L216 HydrophobicContact CG-CD1 4.04Å; E196-L216 HydrophobicContact CG-CD2 4.05Å; V199-L216 HydrophobicContact CB-CD1 4.44Å; V199-L216 HydrophobicContact CB-CD2 4.41Å; V199-L216 HydrophobicContact CG1-CD1 3.81Å; V199-L216 HydrophobicContact CG1-CD2 4.27Å; K200-L216 HydrophobicContact CG-CD2 3.97Å; L216-V218 HydrophobicContact CB-CG2 4.44Å; L216-V218 HydrophobicContact CD2-CG2 3.78Å; L216-V218 HydrophobicContact CG-CG2 3.68Å; L216-E289 PolarHBondContact N-O 3.38Å; L216-E289 PolarHBondContact O-N 2.98Å; L216-L291 HydrophobicContact CB-CD1 3.92Å; L216-L291 HydrophobicContact CB-CD2 4.03Å; L216-L291 HydrophobicContact CB-CG 4.05Å; L216-L291 HydrophobicContact CD2-CD1 4.5Å; L216-L291 HydrophobicContact CD2-CD2 4.46Å
217	F	92	Very high	83.2	Confident	30 Å²	30	46.6 Å²	46.6	13%	0.132	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.2	174.5	-73.4	-115.8	0	0	0	108.3	E75 I76 R77 P78 I286 D287 Q288	E75-F217 HydrophobicContact CB-CD2 4.41Å; E75-F217 HydrophobicContact CB-CE2 3.77Å; E75-F217 HydrophobicContact CG-CE2 3.93Å; E75-F217 HydrophobicContact CG-CZ 4.49Å; I76-F217 PolarHBondContact O-N 2.99Å; R77-F217 HydrophobicContact CB-CB 4.2Å; R77-F217 HydrophobicContact CG-CB 4.06Å; P78-F217 WeakPolarHBondContact CD-O 3.39Å; F217-I286 HydrophobicContact CB-CG2 3.94Å; F217-I286 HydrophobicContact CD1-CG2 3.64Å; F217-I286 HydrophobicContact CG-CG2 4.22Å; F217-D287 WeakPolarHBondContact CA-O 3.48Å; F217-Q288 HydrophobicContact CD1-CG 4.14Å; F217-Q288 HydrophobicContact CE1-CG 3.82Å; F217-Q288 VanDerWaalsContact CE1-NE2 3.3Å; F217-Q288 HydrophobicContact CE2-CG 4.32Å; F217-Q288 HydrophobicContact CZ-CG 3.91Å
218	V	83	Confident	81.6	Confident	14 Å²	14	49.2 Å²	49.2	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.5	-177.6	-170.9	0	0	0	0	109.3	E196 L216 K220 I286 D287	E196-V218 HydrophobicContact CB-CG1 4.44Å; E196-V218 HydrophobicContact CG-CG1 4.15Å; E196-V218 HydrophobicContact CG-CG2 3.93Å; E196-V218 WeakPolarHBondContact OE2-CG1 3.32Å; L216-V218 HydrophobicContact CB-CG2 4.44Å; L216-V218 HydrophobicContact CD2-CG2 3.78Å; L216-V218 HydrophobicContact CG-CG2 3.68Å; V218-K220 HydrophobicContact CG1-CG 4.27Å; V218-K220 PolarHBondContact O-N 2.91Å; V218-I286 WeakPolarHBondContact O-CA 3.15Å; V218-D287 PolarHBondContact N-O 2.88Å; V218-D287 PolarHBondContact O-N 3.38Å
219	E	80.8	Confident	80.1	Confident	126 Å²	126	53.8 Å²	53.8	59%	0.589	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	119	169	-68.2	-179.5	-175.9	0	0	109.9	I286	E219-I286 HydrophobicContact CG-CG1 4.43Å
220	K	81	Confident	78.4	Confident	60 Å²	60	58.6 Å²	58.6	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.5	176.3	-68.2	-173.3	-178.3	170.7	0	110.2	V218 K284 Y285 D287 E289	V218-K220 HydrophobicContact CG1-CG 4.27Å; V218-K220 PolarHBondContact O-N 2.91Å; K220-K284 CarbonylContact O-C 3.56Å; K220-K284 WeakPolarHBondContact O-CA 3.21Å; K220-Y285 HydrophobicContact CB-CD1 4.24Å; K220-Y285 HydrophobicContact CB-CE1 3.61Å; K220-Y285 HydrophobicContact CB-CE2 4.28Å; K220-Y285 PolarHBondContact N-O 2.88Å; K220-Y285 VanDerWaalsContact O-CD1 3.32Å; K220-Y285 WeakPolarHBondContact O-CD1 3.35Å; K220-Y285 PolarHBondContact O-N 2.59Å; K220-D287 HydrophobicContact CD-CB 3.8Å; K220-D287 WeakPolarHBondContact CE-OD2 3.44Å; K220-D287 HydrophobicContact CG-CB 4.24Å; K220-D287 IonicContact NZ-OD2 3.77Å; K220-D287 PolarHBondContact NZ-OD2 3.21Å; K220-E289 IonicContact NZ-OE2 3.68Å
221	E	79.9	Confident	76.4	Confident	105 Å²	105	58.3 Å²	58.3	49%	0.491	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.1	174.2	-64.4	-175.3	170.1	0	0	109.9	K282 K284	E221-K282 WeakPolarHBondContact OE2-CD 3.29Å; E221-K282 IonicContact OE2-NZ 3.35Å; E221-K282 PolarHBondContact OE2-NZ 3.13Å; E221-K284 HydrophobicContact CG-CG 4.23Å
222	R	79.8	Confident	74.7	Confident	130 Å²	130	60.7 Å²	60.7	49%	0.491	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.6	168.4	66.8	-177.2	-175	-173.4	-1.1	111.2	K224 K282 E283 Y285	R222-K224 PolarHBondContact O-N 3.13Å; R222-K282 WeakPolarHBondContact O-CA 3.27Å; R222-E283 HydrophobicContact CG-CB 4.33Å; R222-E283 IonicContact CZ-OE2 2.96Å; R222-E283 PolarHBondContact N-O 3.13Å; R222-E283 IonicContact NE-OE2 2.69Å; R222-E283 PolarHBondContact NE-OE2 2.94Å; R222-E283 IonicContact NH2-OE2 3.88Å; R222-E283 PolarHBondContact NH2-OE2 3.15Å; R222-E283 PolarHBondContact O-N 2.91Å; R222-Y285 HydrophobicContact CB-CD1 4.13Å; R222-Y285 HydrophobicContact CB-CE1 3.82Å; R222-Y285 HydrophobicContact CG-CD1 3.79Å; R222-Y285 HydrophobicContact CG-CE1 3.98Å
223	D	77.8	Confident	72.9	Confident	101 Å²	101	66.3 Å²	66.3	54%	0.54	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.2	171.9	-67.6	-20.4	0	0	0	109.6	K280	D223-K280 HydrophobicContact CB-CB 4.38Å; D223-K280 HydrophobicContact CB-CD 4.23Å
224	K	72.6	Confident	71	Confident	85 Å²	85	66.7 Å²	66.7	37%	0.37	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.4	171	-168.5	-179.5	-173.4	174.2	0	108.8	R222 V226 K280 I281 E283	R222-K224 PolarHBondContact O-N 3.13Å; K224-V226 HydrophobicContact CD-CG1 4.27Å; K224-V226 HydrophobicContact CG-CG1 4.34Å; K224-V226 PolarHBondContact O-N 3.28Å; K224-K280 WeakPolarHBondContact O-CA 3.31Å; K224-I281 PolarHBondContact N-O 3.47Å; K224-I281 PolarHBondContact O-N 2.66Å; K224-E283 HydrophobicContact CB-CB 4.33Å; K224-E283 IonicContact NZ-OE1 2.82Å; K224-E283 PolarHBondContact NZ-OE1 2.78Å
225	E	64.7	Low	69	Low	110 Å²	110	71.2 Å²	71.2	51%	0.514	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	108.8	170.1	-71.4	-171.1	175.4	0	0	108.9	K278 K280	E225-K278 HydrophobicContact CB-CD 4.18Å; E225-K278 WeakPolarHBondContact OE2-CD 3.32Å; E225-K278 IonicContact OE2-NZ 3.74Å; E225-K278 PolarHBondContact OE2-NZ 3.32Å; E225-K280 HydrophobicContact CG-CG 4.24Å
226	V	59.7	Low	67	Low	6 Å²	6	76.3 Å²	76.3	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.2	174.8	-88	0	0	0	0	110.4	K224 E230 A231 K279 I281	K224-V226 HydrophobicContact CD-CG1 4.27Å; K224-V226 HydrophobicContact CG-CG1 4.34Å; K224-V226 PolarHBondContact O-N 3.28Å; V226-E230 HydrophobicContact CB-CB 4.12Å; V226-E230 HydrophobicContact CG1-CB 4.22Å; V226-E230 WeakPolarHBondContact CG1-OE2 3.23Å; V226-A231 HydrophobicContact CG2-CB 4.29Å; V226-K279 PolarHBondContact N-O 3.17Å; V226-K279 VanDerWaalsContact N-O 3.16Å; V226-I281 HydrophobicContact CG2-CB 4.1Å; V226-I281 HydrophobicContact CG2-CD1 3.51Å; V226-I281 HydrophobicContact CG2-CG1 3.56Å
227	S	55.1	Low	65.1	Low	43 Å²	43	82.9 Å²	82.9	30%	0.301	39%	0.392	S	S	.	.			trans	-71.9	154.1	175.7	74.4	0	0	0	0	110.5	D229 E230 A231	S227-D229 PolarHBondContact O-N 3.2Å; S227-E230 PolarHBondContact O-N 2.88Å; S227-A231 PolarHBondContact O-N 3.44Å
228	D	56.7	Low	63.2	Low	56 Å²	56	86 Å²	86	30%	0.299	41%	0.405	S	S	.	.	H	α-helix	trans	-51.8	-32.7	-177.8	-74.2	-35.3	0	0	0	112.7	A231 E232	D228-A231 PolarHBondContact O-N 3.01Å; D228-E232 PolarHBondContact O-N 2.75Å; D228-E232 VanDerWaalsContact O-N 3.17Å
229	D	56.1	Low	61.7	Low	106 Å²	106	89.8 Å²	89.8	57%	0.567	43%	0.425	S	S	*	.	H	α-helix	trans	-70.1	-36.5	-179.5	-53.6	-43.2	0	0	0	112.5	S227 K276	S227-D229 PolarHBondContact O-N 3.2Å; D229-K276 IonicContact OD2-NZ 2.64Å
230	E	53.7	Low	60.3	Low	103 Å²	103	88.5 Å²	88.5	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-80.7	-28.9	176.8	-70.8	171.4	158	0	0	111.8	V226 S227 E233 E234	V226-E230 HydrophobicContact CB-CB 4.12Å; V226-E230 HydrophobicContact CG1-CB 4.22Å; V226-E230 WeakPolarHBondContact CG1-OE2 3.23Å; S227-E230 PolarHBondContact O-N 2.88Å; E230-E233 PolarHBondContact O-N 2.64Å; E230-E234 PolarHBondContact O-N 2.82Å; E230-E234 VanDerWaalsContact O-N 3.16Å
231	A	48.6	Very low	58.7	Low	0 Å²	0	92.2 Å²	92.2	0%	0	44%	0.44	C	S	.	.	H	α-helix	trans	-71.8	-34.2	178.1	0	0	0	0	0	112.7	V226 S227 D228 E235 K279 I281	V226-A231 HydrophobicContact CG2-CB 4.29Å; S227-A231 PolarHBondContact O-N 3.44Å; D228-A231 PolarHBondContact O-N 3.01Å; A231-E235 WeakPolarHBondContact O-CB 3.43Å; A231-E235 WeakPolarHBondContact O-CG 3.35Å; A231-E235 PolarHBondContact O-N 2.95Å; A231-K279 HydrophobicContact CB-CB 4.19Å; A231-K279 HydrophobicContact CB-CD 3.89Å; A231-I281 HydrophobicContact CB-CD1 3.93Å
232	E	53.5	Low	57.3	Low	108 Å²	108	93 Å²	93	51%	0.505	44%	0.442	S	S	.	.	H	α-helix	trans	-70.8	-28.5	173.3	-75.5	-175.2	-173	0	0	112.8	D228 K236	D228-E232 PolarHBondContact O-N 2.75Å; D228-E232 VanDerWaalsContact O-N 3.17Å; E232-K236 WeakPolarHBondContact O-CB 3.37Å; E232-K236 WeakPolarHBondContact O-CD 3.45Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 3.26Å
233	E	54.3	Low	55.8	Low	137 Å²	137	93 Å²	93	64%	0.64	45%	0.447	S	S	*	.	H	α-helix	trans	-72.6	-45.2	173.8	-75.8	-174.7	165.1	0	0	111.8	E230 K236 E237	E230-E233 PolarHBondContact O-N 2.64Å; E233-K236 PolarHBondContact O-N 3.29Å; E233-E237 PolarHBondContact O-N 3.01Å
234	E	55.2	Low	54.4	Low	62 Å²	62	95.7 Å²	95.7	29%	0.29	45%	0.454	S	S	.	.	H	α-helix	trans	-69.1	-33.5	176	-79.4	-170.3	-171.7	0	0	113.1	E230 E237 K238 I281	E230-E234 PolarHBondContact O-N 2.82Å; E230-E234 VanDerWaalsContact O-N 3.16Å; E234-E237 PolarHBondContact O-N 2.95Å; E234-K238 WeakPolarHBondContact O-CG 3.04Å; E234-K238 PolarHBondContact O-N 3.31Å; E234-K238 VanDerWaalsContact O-N 3.07Å; E234-I281 HydrophobicContact CB-CD1 4.07Å; E234-I281 VanDerWaalsContact OE2-CD1 3.26Å; E234-I281 WeakPolarHBondContact OE2-CD1 3.14Å; E234-I281 VanDerWaalsContact OE2-CG2 3.26Å; E234-I281 WeakPolarHBondContact OE2-CG2 3.28Å
235	E	54.1	Low	52.9	Low	94 Å²	94	98.6 Å²	98.6	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-64.2	-40.3	171.7	-82.4	176.4	-176.1	0	0	110.8	A231 K238 D239 K279	A231-E235 WeakPolarHBondContact O-CB 3.43Å; A231-E235 WeakPolarHBondContact O-CG 3.35Å; A231-E235 PolarHBondContact O-N 2.95Å; E235-K238 PolarHBondContact O-N 2.83Å; E235-D239 WeakPolarHBondContact O-CB 3.08Å; E235-D239 PolarHBondContact O-N 2.95Å; E235-K279 IonicContact OE1-NZ 4Å; E235-K279 PolarHBondContact OE1-NZ 2.65Å; E235-K279 VanDerWaalsContact OE1-NZ 3.11Å; E235-K279 IonicContact OE2-NZ 3.54Å; E235-K279 PolarHBondContact OE2-NZ 3.44Å
236	K	53.7	Low	51.9	Low	127 Å²	127	101.1 Å²	101.1	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-67.3	-35.6	174.9	-77.1	170.8	-174.1	164.4	0	113.6	E232 E233 N240	E232-K236 WeakPolarHBondContact O-CB 3.37Å; E232-K236 WeakPolarHBondContact O-CD 3.45Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 3.26Å; E233-K236 PolarHBondContact O-N 3.29Å; K236-N240 WeakPolarHBondContact O-CB 3.2Å; K236-N240 PolarHBondContact O-N 3.07Å; K236-N240 PolarHBondContact O-ND2 3.16Å
237	E	54.1	Low	50.9	Low	138 Å²	138	109.2 Å²	109.2	65%	0.645	52%	0.516	S	S	*	.	H	α-helix	trans	-66.9	-41.6	173.6	-77.6	-169.7	159	0	0	111.8	E233 E234 N240 E241	E233-E237 PolarHBondContact O-N 3.01Å; E234-E237 PolarHBondContact O-N 2.95Å; E237-N240 PolarHBondContact O-N 3.04Å; E237-E241 PolarHBondContact O-N 3.43Å
238	K	53.4	Low	50.3	Low	96 Å²	96	115.5 Å²	115.5	42%	0.417	54%	0.541	S	S	.	.	H	α-helix	trans	-67.9	-34.6	176.2	-74.5	176	-177.2	166.6	0	113.3	E234 E235 K242	E234-K238 WeakPolarHBondContact O-CG 3.04Å; E234-K238 PolarHBondContact O-N 3.31Å; E234-K238 VanDerWaalsContact O-N 3.07Å; E235-K238 PolarHBondContact O-N 2.83Å; K238-K242 WeakPolarHBondContact O-CG 3.47Å; K238-K242 PolarHBondContact O-N 3.46Å
239	D	50.5	Low	49.4	Very low	93 Å²	93	119.9 Å²	119.9	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-71.6	-36.1	174.4	-77.4	-18.8	0	0	0	111.5	E235 K242 E243	E235-D239 WeakPolarHBondContact O-CB 3.08Å; E235-D239 PolarHBondContact O-N 2.95Å; D239-K242 PolarHBondContact O-N 3.2Å; D239-E243 PolarHBondContact O-N 2.92Å
240	N	51.3	Low	48.2	Very low	98 Å²	98	124.1 Å²	124.1	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-66.6	-34.3	172.2	-80.7	-33	0	0	0	113.4	K236 E237 K244	K236-N240 WeakPolarHBondContact O-CB 3.2Å; K236-N240 PolarHBondContact O-N 3.07Å; K236-N240 PolarHBondContact O-ND2 3.16Å; E237-N240 PolarHBondContact O-N 3.04Å; N240-K244 PolarHBondContact O-N 3.27Å
241	E	48.7	Very low	47.3	Very low	138 Å²	138	126.8 Å²	126.8	65%	0.645	59%	0.591	S	S	*	*	H	α-helix	trans	-69.5	-40.5	172.2	-82.8	-175	157	0	0	111.8	E237 K244 E245	E237-E241 PolarHBondContact O-N 3.43Å; E241-K244 PolarHBondContact O-N 2.93Å; E241-E245 PolarHBondContact O-N 3.44Å
242	K	49.5	Very low	46.6	Very low	121 Å²	121	135.6 Å²	135.6	53%	0.526	63%	0.632	S	S	.	*	H	α-helix	trans	-69.4	-30.6	175.3	-76.7	176.3	-179.1	171.6	0	113.8	K238 D239 K246	K238-K242 WeakPolarHBondContact O-CG 3.47Å; K238-K242 PolarHBondContact O-N 3.46Å; D239-K242 PolarHBondContact O-N 3.2Å; K242-K246 WeakPolarHBondContact O-CB 3.24Å; K242-K246 WeakPolarHBondContact O-CG 3.28Å; K242-K246 PolarHBondContact O-N 3.47Å
243	E	48.2	Very low	45.7	Very low	130 Å²	130	137.1 Å²	137.1	61%	0.607	64%	0.643	S	S	*	*	H	α-helix	trans	-68.7	-35.2	172.2	-81.4	-171.9	164.3	0	0	111.5	D239 K246 E247	D239-E243 PolarHBondContact O-N 2.92Å; E243-K246 PolarHBondContact O-N 3.3Å; E243-E247 PolarHBondContact O-N 3.48Å; E243-E247 VanDerWaalsContact O-N 3.15Å
244	K	47.9	Very low	44.6	Very low	158 Å²	158	139.3 Å²	139.3	69%	0.687	65%	0.65	S	S	*	*	H	α-helix	trans	-67.9	-38	171.6	-78.1	179.1	178.1	174.6	0	113.3	N240 E241 K246	N240-K244 PolarHBondContact O-N 3.27Å; E241-K244 PolarHBondContact O-N 2.93Å; K244-K246 VanDerWaalsContact C-N 3.31Å
245	E	42.9	Very low	43.9	Very low	146 Å²	146	142 Å²	142	68%	0.682	67%	0.673	S	S	*	*	H	α-helix	trans	-70.2	-26.8	174.2	-74.9	-175.2	159.7	0	0	112.6	E241	E241-E245 PolarHBondContact O-N 3.44Å
246	K	42.2	Very low	42.9	Very low	163 Å²	163	146.8 Å²	146.8	71%	0.709	70%	0.696	S	S	*	*	H	α-helix	trans	-82.1	-20.7	176.7	-79.5	179.7	177.4	179.1	0	114.4	K242 E243 K244 E248	K242-K246 WeakPolarHBondContact O-CB 3.24Å; K242-K246 WeakPolarHBondContact O-CG 3.28Å; K242-K246 PolarHBondContact O-N 3.47Å; E243-K246 PolarHBondContact O-N 3.3Å; K244-K246 VanDerWaalsContact C-N 3.31Å; K246-E248 VanDerWaalsContact C-N 3.26Å; K246-E248 PolarHBondContact O-N 2.84Å
247	E	39.3	Very low	41.9	Very low	177 Å²	177	148.8 Å²	148.8	83%	0.827	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-14	172.4	-81.6	-169.8	155.2	0	0	113.2	E243	E243-E247 PolarHBondContact O-N 3.48Å; E243-E247 VanDerWaalsContact O-N 3.15Å
248	E	42.2	Very low	40.7	Very low	175 Å²	175	150.2 Å²	150.2	82%	0.818	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-7.4	175.6	-70.1	-168.2	161.4	0	0	114.4	K246	K246-E248 VanDerWaalsContact C-N 3.26Å; K246-E248 PolarHBondContact O-N 2.84Å
249	E	37.4	Very low	39.4	Very low	148 Å²	148	153.8 Å²	153.8	69%	0.692	74%	0.741	S	S	*	*	S	Bend	trans	-137.6	91.5	177.3	-78.7	-164.1	162.2	0	0	113.1
250	K	32.4	Very low	38.4	Very low	195 Å²	195	155 Å²	155	85%	0.848	75%	0.752	S	S	*	*				156.3	115	117.9	-85.4	173.5	-176.9	178.9	0	114.9
251	D	34.7	Very low	37.3	Very low	159 Å²	159	153.3 Å²	153.3	85%	0.85	76%	0.757	S	S	*	*			trans	-65.5	154.1	141.1	-107.8	-38.8	0	0	0	110.5
252	E	33.9	Very low	36.2	Very low	185 Å²	185	151.9 Å²	151.9	86%	0.864	76%	0.762	S	S	*	*			trans	90.4	94.5	167.1	-58.4	-168.7	167.8	0	0	121
253	D	32.8	Very low	35.2	Very low	139 Å²	139	153 Å²	153	74%	0.743	78%	0.775	S	S	*	*				60.8	104.7	125.4	-98.4	-22.9	0	0	0	124.3
254	K	32.5	Very low	34.3	Very low	183 Å²	183	155.3 Å²	155.3	80%	0.796	79%	0.785	S	S	*	*			trans	61.4	158.2	132	-79.4	-178.4	-179.9	171.9	0	123.5
255	P	40.5	Very low	33.4	Very low	118 Å²	118	157.4 Å²	157.4	77%	0.766	80%	0.797	S	S	*	*			cis	-132.6	162.4	-31.8	35.9	-18.2	0	0	0	114.7
256	E	33.4	Very low	32.8	Very low	196 Å²	196	158.1 Å²	158.1	92%	0.916	81%	0.806	S	S	*	*			trans	-74.7	151.8	174.9	-73.7	173.7	140.5	0	0	114.1
257	I	32.3	Very low	32.1	Very low	169 Å²	169	157.8 Å²	157.8	87%	0.867	81%	0.812	S	S	*	*			trans	-119.2	117.1	163.1	-65.4	171.8	0	0	0	107.4
258	E	28.3	Very low	31.6	Very low	168 Å²	168	157.4 Å²	157.4	79%	0.785	81%	0.81	S	S	*	*			trans	-65.8	142.1	165.9	-75.6	176.6	135.6	0	0	110.7
259	D	27.4	Very low	31	Very low	171 Å²	171	156.6 Å²	156.6	91%	0.914	81%	0.811	S	S	*	*			trans	-143.8	134.8	138.9	-128.8	-16.9	0	0	0	111.1
260	V	27.7	Very low	30.8	Very low	118 Å²	118	158.3 Å²	158.3	72%	0.715	82%	0.816	S	S	*	*			trans	-111.4	122	-160.8	-179.2	0	0	0	0	108.8
261	G	29	Very low	30.6	Very low	63 Å²	63	154.3 Å²	154.3	65%	0.649	81%	0.813	S	S	*	*				95	147	126.3	0	0	0	0	0	121
262	S	25.7	Very low	30.3	Very low	107 Å²	107	152 Å²	152	75%	0.748	81%	0.809	S	S	*	*			trans	80.3	141.5	151.7	73.8	0	0	0	0	118.6
263	D	27.6	Very low	30.1	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	81%	0.808	S	S	*	*			cis	-165.6	155.9	-17.8	-102.1	-24.7	0	0	0	106.4
264	E	31	Very low	30.2	Very low	177 Å²	177	154.5 Å²	154.5	83%	0.827	82%	0.818	S	S	*	*			trans	0.4	136.5	155.4	-58.8	178.8	164.1	0	0	119.9
265	E	27.7	Very low	30.4	Very low	202 Å²	202	155.1 Å²	155.1	94%	0.944	82%	0.821	S	S	*	*				-155.4	132.2	128	-109	174.5	-154.8	0	0	111.4
266	D	30.3	Very low	30.5	Very low	161 Å²	161	156.6 Å²	156.6	86%	0.861	82%	0.815	S	S	*	*			trans	-56.1	147.8	177.5	-77.4	-52.5	0	0	0	114
267	D	28.5	Very low	31	Very low	157 Å²	157	156 Å²	156	84%	0.84	81%	0.809	S	S	*	*				-164.9	147.7	120.6	-122.3	-29	0	0	0	115.1
268	H	28.7	Very low	31.7	Very low	168 Å²	168	154.3 Å²	154.3	78%	0.778	80%	0.796	S	S	*	*			trans	-54.4	140.5	-179.1	-91.5	-86.7	0	0	0	115.8
269	D	28.3	Very low	33.1	Very low	158 Å²	158	150.1 Å²	150.1	85%	0.845	78%	0.775	S	S	*	*				-165	142.1	115.1	-140.4	-17.8	0	0	0	114.4
270	K	34.6	Very low	34.9	Very low	184 Å²	184	148.3 Å²	148.3	80%	0.8	76%	0.759	S	S	*	*			trans	-91.8	123.7	176.5	-81.3	173.8	174.4	169.1	0	109.7
271	S	28	Very low	37.2	Very low	112 Å²	112	143.7 Å²	143.7	78%	0.783	73%	0.73	S	S	*	*			trans	175.4	145.6	133.8	48.6	0	0	0	0	114.7
272	S	27.4	Very low	39.3	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	73%	0.726	S	S	*	*			trans	85.2	117.8	152.4	72.9	0	0	0	0	120.8
273	D	31.1	Very low	41.9	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	70%	0.702	S	S	*	*			trans	51.8	87	153.8	-70.2	-19.2	0	0	0	120.6	K275	D273-K275 VanDerWaalsContact C-N 3.28Å; D273-K275 PolarHBondContact O-N 3.28Å
274	K	34	Very low	44.3	Very low	221 Å²	221	144.1 Å²	144.1	96%	0.961	69%	0.694	S	S	*	*			trans	-66.3	83.4	154.7	-90.9	-175.1	174.6	-178.8	0	110.5	K276	K274-K276 PolarHBondContact O-N 2.8Å
275	K	37.2	Very low	46.8	Very low	196 Å²	196	139.3 Å²	139.3	85%	0.852	67%	0.669	S	S	*	*			trans	-76.4	105.7	153.5	-121	176.2	-177.8	175.1	0	106.9	D273 K277	D273-K275 VanDerWaalsContact C-N 3.28Å; D273-K275 PolarHBondContact O-N 3.28Å; K275-K277 PolarHBondContact O-N 2.9Å; K275-K277 VanDerWaalsContact O-N 3.1Å
276	K	41.4	Very low	49.5	Very low	149 Å²	149	133.7 Å²	133.7	65%	0.648	65%	0.645	S	S	*	*			trans	-46.5	116.8	171.3	-76.1	-172	171.6	-162.4	0	108.7	D229 K274 K278	D229-K276 IonicContact OD2-NZ 2.64Å; K274-K276 PolarHBondContact O-N 2.8Å; K276-K278 PolarHBondContact O-N 3.19Å
277	K	44.9	Very low	52.1	Low	183 Å²	183	128.4 Å²	128.4	80%	0.796	62%	0.616	S	S	*	*			trans	-73.4	114.7	173.1	-99.9	-178.6	174.3	177.5	0	106.3	K275	K275-K277 PolarHBondContact O-N 2.9Å; K275-K277 VanDerWaalsContact O-N 3.1Å
278	K	47.9	Very low	55	Low	133 Å²	133	126.4 Å²	126.4	58%	0.578	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-77.7	127.1	175.6	-60.9	-179.2	-179.3	-174.4	0	109.5	E225 K276	E225-K278 HydrophobicContact CB-CD 4.18Å; E225-K278 WeakPolarHBondContact OE2-CD 3.32Å; E225-K278 IonicContact OE2-NZ 3.74Å; E225-K278 PolarHBondContact OE2-NZ 3.32Å; K276-K278 PolarHBondContact O-N 3.19Å
279	K	57.6	Low	58	Low	81 Å²	81	121 Å²	121	35%	0.352	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.6	143.7	169.4	-75	-177.6	175.2	-175.4	0	109.3	V226 A231 E235	V226-K279 PolarHBondContact N-O 3.17Å; V226-K279 VanDerWaalsContact N-O 3.16Å; A231-K279 HydrophobicContact CB-CB 4.19Å; A231-K279 HydrophobicContact CB-CD 3.89Å; E235-K279 IonicContact OE1-NZ 4Å; E235-K279 PolarHBondContact OE1-NZ 2.65Å; E235-K279 VanDerWaalsContact OE1-NZ 3.11Å; E235-K279 IonicContact OE2-NZ 3.54Å; E235-K279 PolarHBondContact OE2-NZ 3.44Å
280	K	63.4	Low	61	Low	133 Å²	133	117.4 Å²	117.4	58%	0.578	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.2	120	173.7	-69.6	-177	176.1	-170	0	108.4	D223 K224 E225	D223-K280 HydrophobicContact CB-CB 4.38Å; D223-K280 HydrophobicContact CB-CD 4.23Å; K224-K280 WeakPolarHBondContact O-CA 3.31Å; E225-K280 HydrophobicContact CG-CG 4.24Å
281	I	76.2	Confident	63.6	Low	21 Å²	21	110.2 Å²	110.2	11%	0.108	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139	172.8	-55.9	-175.3	0	0	0	109.2	K224 V226 A231 E234 E283	K224-I281 PolarHBondContact N-O 3.47Å; K224-I281 PolarHBondContact O-N 2.66Å; V226-I281 HydrophobicContact CG2-CB 4.1Å; V226-I281 HydrophobicContact CG2-CD1 3.51Å; V226-I281 HydrophobicContact CG2-CG1 3.56Å; A231-I281 HydrophobicContact CB-CD1 3.93Å; E234-I281 HydrophobicContact CB-CD1 4.07Å; E234-I281 VanDerWaalsContact OE2-CD1 3.26Å; E234-I281 WeakPolarHBondContact OE2-CD1 3.14Å; E234-I281 VanDerWaalsContact OE2-CG2 3.26Å; E234-I281 WeakPolarHBondContact OE2-CG2 3.28Å; I281-E283 PolarHBondContact O-N 2.98Å
282	K	74.1	Confident	66.5	Low	129 Å²	129	105.5 Å²	105.5	56%	0.561	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	110	173.5	-69.1	179.7	157	-147.4	0	109.8	E221 R222	E221-K282 WeakPolarHBondContact OE2-CD 3.29Å; E221-K282 IonicContact OE2-NZ 3.35Å; E221-K282 PolarHBondContact OE2-NZ 3.13Å; R222-K282 WeakPolarHBondContact O-CA 3.27Å
283	E	79.7	Confident	69.3	Low	53 Å²	53	106.9 Å²	106.9	25%	0.248	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.2	173.8	-174.8	-177.8	-132.2	0	0	108.8	R222 K224 I281	R222-E283 HydrophobicContact CG-CB 4.33Å; R222-E283 IonicContact CZ-OE2 2.96Å; R222-E283 PolarHBondContact N-O 3.13Å; R222-E283 IonicContact NE-OE2 2.69Å; R222-E283 PolarHBondContact NE-OE2 2.94Å; R222-E283 IonicContact NH2-OE2 3.88Å; R222-E283 PolarHBondContact NH2-OE2 3.15Å; R222-E283 PolarHBondContact O-N 2.91Å; K224-E283 HydrophobicContact CB-CB 4.33Å; K224-E283 IonicContact NZ-OE1 2.82Å; K224-E283 PolarHBondContact NZ-OE1 2.78Å; I281-E283 PolarHBondContact O-N 2.98Å
284	K	79.2	Confident	71.6	Confident	143 Å²	143	100.9 Å²	100.9	62%	0.622	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.2	169.9	-70.9	-176.8	179.3	-178.3	0	108.9	K220 E221	K220-K284 CarbonylContact O-C 3.56Å; K220-K284 WeakPolarHBondContact O-CA 3.21Å; E221-K284 HydrophobicContact CG-CG 4.23Å
285	Y	82	Confident	74.1	Confident	76 Å²	76	98 Å²	98	30%	0.298	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.8	173.9	73.7	-80.4	0	0	0	110.3	K220 R222 D287	K220-Y285 HydrophobicContact CB-CD1 4.24Å; K220-Y285 HydrophobicContact CB-CE1 3.61Å; K220-Y285 HydrophobicContact CB-CE2 4.28Å; K220-Y285 PolarHBondContact N-O 2.88Å; K220-Y285 VanDerWaalsContact O-CD1 3.32Å; K220-Y285 WeakPolarHBondContact O-CD1 3.35Å; K220-Y285 PolarHBondContact O-N 2.59Å; R222-Y285 HydrophobicContact CB-CD1 4.13Å; R222-Y285 HydrophobicContact CB-CE1 3.82Å; R222-Y285 HydrophobicContact CG-CD1 3.79Å; R222-Y285 HydrophobicContact CG-CE1 3.98Å; Y285-D287 HydrophobicContact CD2-CB 4.42Å; Y285-D287 HydrophobicContact CE2-CB 3.83Å
286	I	84.1	Confident	76.6	Confident	83 Å²	83	89.6 Å²	89.6	43%	0.426	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.8	176.3	-58.5	169.2	0	0	0	108.5	F217 V218 E219	F217-I286 HydrophobicContact CB-CG2 3.94Å; F217-I286 HydrophobicContact CD1-CG2 3.64Å; F217-I286 HydrophobicContact CG-CG2 4.22Å; V218-I286 WeakPolarHBondContact O-CA 3.15Å; E219-I286 HydrophobicContact CG-CG1 4.43Å
287	D	86.7	Confident	79.1	Confident	50 Å²	50	82.9 Å²	82.9	27%	0.267	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.9	173	-165.8	21	0	0	0	110.1	F217 V218 K220 Y285	F217-D287 WeakPolarHBondContact CA-O 3.48Å; V218-D287 PolarHBondContact N-O 2.88Å; V218-D287 PolarHBondContact O-N 3.38Å; K220-D287 HydrophobicContact CD-CB 3.8Å; K220-D287 WeakPolarHBondContact CE-OD2 3.44Å; K220-D287 HydrophobicContact CG-CB 4.24Å; K220-D287 IonicContact NZ-OD2 3.77Å; K220-D287 PolarHBondContact NZ-OD2 3.21Å; Y285-D287 HydrophobicContact CD2-CB 4.42Å; Y285-D287 HydrophobicContact CE2-CB 3.83Å
288	Q	89.3	Confident	81.5	Confident	116 Å²	116	74.3 Å²	74.3	54%	0.542	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	100.2	177.8	-67.8	-177.6	7.1	0	0	108.9	F217	F217-Q288 HydrophobicContact CD1-CG 4.14Å; F217-Q288 HydrophobicContact CE1-CG 3.82Å; F217-Q288 VanDerWaalsContact CE1-NE2 3.3Å; F217-Q288 HydrophobicContact CE2-CG 4.32Å; F217-Q288 HydrophobicContact CZ-CG 3.91Å
289	E	91	Very high	83.5	Confident	53 Å²	53	70.8 Å²	70.8	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.7	-177.1	-168.2	175.7	148.6	0	0	111.4	K200 T215 L216 K220 L291	K200-E289 VanDerWaalsContact CE-OE1 3.3Å; K200-E289 WeakPolarHBondContact CE-OE1 3.29Å; K200-E289 WeakPolarHBondContact CE-OE2 3.46Å; K200-E289 IonicContact NZ-OE1 3.5Å; K200-E289 PolarHBondContact NZ-OE1 3.41Å; K200-E289 IonicContact NZ-OE2 3.82Å; K200-E289 PolarHBondContact NZ-OE2 2.91Å; T215-E289 CarbonylContact C-O 3.52Å; T215-E289 WeakPolarHBondContact CA-O 3.49Å; L216-E289 PolarHBondContact N-O 3.38Å; L216-E289 PolarHBondContact O-N 2.98Å; K220-E289 IonicContact NZ-OE2 3.68Å; E289-L291 HydrophobicContact CG-CD2 4.45Å; E289-L291 PolarHBondContact O-N 3.34Å
290	E	91.2	Very high	85.2	Confident	83 Å²	83	71 Å²	71	39%	0.388	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.8	171.8	-173.2	-176.5	164.6	0	0	110.9	I214 K293	I214-E290 WeakPolarHBondContact O-CA 3.44Å; E290-K293 HydrophobicContact CB-CG 4.3Å; E290-K293 HydrophobicContact CG-CG 4.1Å; E290-K293 VanDerWaalsContact O-CE 3.31Å; E290-K293 WeakPolarHBondContact O-CE 3.46Å
291	L	89.8	Confident	86.6	Confident	34 Å²	34	68.4 Å²	68.4	18%	0.178	32%	0.32	C	S	.	.	S	Bend	trans	-89.4	-27.1	-171.9	-61.2	-171	0	0	0	113.9	K200 V203 I214 L216 E289	K200-L291 HydrophobicContact CD-CD2 4.45Å; K200-L291 HydrophobicContact CG-CD2 3.86Å; V203-L291 HydrophobicContact CB-CD1 3.8Å; V203-L291 HydrophobicContact CG1-CB 3.81Å; V203-L291 HydrophobicContact CG1-CD1 3.73Å; V203-L291 HydrophobicContact CG1-CG 4.45Å; V203-L291 HydrophobicContact CG2-CD1 3.82Å; I214-L291 HydrophobicContact CG2-CD1 4.42Å; I214-L291 PolarHBondContact O-N 3.02Å; L216-L291 HydrophobicContact CB-CD1 3.92Å; L216-L291 HydrophobicContact CB-CD2 4.03Å; L216-L291 HydrophobicContact CB-CG 4.05Å; L216-L291 HydrophobicContact CD2-CD1 4.5Å; L216-L291 HydrophobicContact CD2-CD2 4.46Å; E289-L291 HydrophobicContact CG-CD2 4.45Å; E289-L291 PolarHBondContact O-N 3.34Å
292	N	88.8	Confident	87.4	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.064	33%	0.333	C	S	.	.			trans	-114	46.7	-171.6	65.8	-40.1	0	0	0	113.4	Q208 I210 Y212 I214 T294	Q208-N292 WeakPolarHBondContact O-CB 3.4Å; I210-N292 PolarHBondContact O-ND2 3.04Å; Y212-N292 PolarHBondContact O-ND2 2.86Å; I214-N292 HydrophobicContact CD1-CB 4.44Å; I214-N292 PolarHBondContact N-OD1 3.14Å; N292-T294 PolarHBondContact O-N 2.92Å
293	K	85.6	Confident	88.4	Confident	139 Å²	139	70.9 Å²	70.9	60%	0.604	34%	0.343	S	S	*	.			trans	-61.1	-26.1	178.3	-63.4	176.2	-178.9	173.6	0	113.5	E290 K295	E290-K293 HydrophobicContact CB-CG 4.3Å; E290-K293 HydrophobicContact CG-CG 4.1Å; E290-K293 VanDerWaalsContact O-CE 3.31Å; E290-K293 WeakPolarHBondContact O-CE 3.46Å; K293-K295 PolarHBondContact O-N 3.45Å
294	T	80.4	Confident	89.1	Confident	30 Å²	30	73.6 Å²	73.6	18%	0.184	36%	0.359	C	S	.	.	S	Bend	trans	-74.3	106.3	-179	-43.6	0	0	0	0	110.5	Q208 F209 N292 F313 S316	Q208-T294 PolarHBondContact NE2-OG1 3.5Å; F209-T294 HydrophobicContact CE1-CG2 3.91Å; N292-T294 PolarHBondContact O-N 2.92Å; T294-F313 HydrophobicContact CG2-CD2 3.85Å; T294-F313 HydrophobicContact CG2-CE2 4.16Å; T294-S316 PolarHBondContact OG1-OG 2.79Å
295	K	85.9	Confident	89.9	Confident	160 Å²	160	67.6 Å²	67.6	70%	0.696	33%	0.334	S	S	*	.			trans	-75.2	144.6	177.7	-63.6	-176.4	-178.8	179.2	0	111.4	K293 L297	K293-K295 PolarHBondContact O-N 3.45Å; K295-L297 PolarHBondContact O-N 3.47Å; K295-L297 VanDerWaalsContact O-N 3.15Å
296	P	90.2	Very high	90.5	Very high	20 Å²	20	67.1 Å²	67.1	13%	0.13	34%	0.339	C	S	.	.			trans	-70	109.5	176.3	27.8	-32.8	0	0	0	110	F209 W298 T299	F209-P296 HydrophobicContact CB-CB 4.31Å; F209-P296 HydrophobicContact CD1-CB 4.18Å; P296-W298 HydrophobicContact CB-CD2 4.17Å; P296-W298 HydrophobicContact CB-CE3 4.22Å; P296-W298 HydrophobicContact CB-CH2 3.77Å; P296-W298 HydrophobicContact CB-CZ2 3.69Å; P296-W298 HydrophobicContact CB-CZ3 4.01Å; P296-T299 HydrophobicContact CB-CG2 4.07Å; P296-T299 HydrophobicContact CG-CG2 4.16Å; P296-T299 PolarHBondContact O-OG1 3.46Å
297	L	93.4	Very high	91	Very high	9 Å²	9	68 Å²	68	5%	0.047	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-72.3	-30.5	-178.1	-73.2	-172.2	0	0	0	113.4	K295 T299 R300 I305 E309 Y310 F313 L341	K295-L297 PolarHBondContact O-N 3.47Å; K295-L297 VanDerWaalsContact O-N 3.15Å; L297-T299 PolarHBondContact O-N 2.85Å; L297-T299 VanDerWaalsContact O-N 3.16Å; L297-R300 PolarHBondContact O-N 3.43Å; L297-I305 HydrophobicContact CD1-CG2 4.32Å; L297-I305 HydrophobicContact CD2-CG2 4.37Å; L297-I305 VanDerWaalsContact O-CD1 3.31Å; L297-I305 WeakPolarHBondContact O-CD1 3.29Å; L297-E309 WeakPolarHBondContact CD1-O 3.08Å; L297-Y310 HydrophobicContact CD1-CD1 3.87Å; L297-Y310 HydrophobicContact CD1-CE1 4.33Å; L297-Y310 HydrophobicContact CD1-CG 4.49Å; L297-F313 HydrophobicContact CB-CD2 4.37Å; L297-F313 HydrophobicContact CD1-CB 3.34Å; L297-F313 HydrophobicContact CD1-CD1 4.34Å; L297-F313 HydrophobicContact CD1-CD2 4.05Å; L297-F313 HydrophobicContact CD1-CG 3.66Å; L297-F313 HydrophobicContact CG-CB 4.06Å; L297-F313 HydrophobicContact CG-CD2 3.86Å; L297-F313 HydrophobicContact CG-CG 4.01Å; L297-L341 HydrophobicContact CB-CD1 3.79Å
298	W	94.5	Very high	91.4	Very high	3 Å²	3	71.9 Å²	71.9	1%	0.011	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-69.3	-12.2	-176.5	62	88.3	0	0	0	114.1	F209 P296 F313 H329 R339 L341 R368 V389 D391	F209-W298 HydrophobicContact CB-CH2 4.04Å; F209-W298 HydrophobicContact CB-CZ2 4.31Å; F209-W298 AromaticContact CD1-CH2 3.76Å; F209-W298 HydrophobicContact CD1-CH2 3.76Å; F209-W298 HydrophobicContact CD1-CZ3 4.19Å; F209-W298 AromaticContact CD2-CH2 3.48Å; F209-W298 HydrophobicContact CD2-CH2 3.48Å; F209-W298 VanDerWaalsContact CD2-CH2 3.48Å; F209-W298 HydrophobicContact CD2-CZ2 4.33Å; F209-W298 HydrophobicContact CD2-CZ3 4.35Å; F209-W298 HydrophobicContact CE1-CH2 4.01Å; F209-W298 HydrophobicContact CE1-CZ3 4.06Å; F209-W298 AromaticContact CE2-CH2 3.71Å; F209-W298 HydrophobicContact CE2-CH2 3.71Å; F209-W298 HydrophobicContact CE2-CZ3 4.19Å; F209-W298 AromaticContact CG-CH2 3.47Å; F209-W298 HydrophobicContact CG-CH2 3.47Å; F209-W298 VanDerWaalsContact CG-CH2 3.47Å; F209-W298 HydrophobicContact CG-CZ2 4.22Å; F209-W298 HydrophobicContact CG-CZ3 4.32Å; F209-W298 AromaticContact CZ-CH2 3.97Å; F209-W298 HydrophobicContact CZ-CH2 3.97Å; F209-W298 HydrophobicContact CZ-CZ3 4.04Å; P296-W298 HydrophobicContact CB-CD2 4.17Å; P296-W298 HydrophobicContact CB-CE3 4.22Å; P296-W298 HydrophobicContact CB-CH2 3.77Å; P296-W298 HydrophobicContact CB-CZ2 3.69Å; P296-W298 HydrophobicContact CB-CZ3 4.01Å; W298-F313 HydrophobicContact CE3-CE2 4.4Å; W298-F313 HydrophobicContact CE3-CZ 4.11Å; W298-F313 AromaticContact CZ3-CE2 3.85Å; W298-F313 HydrophobicContact CZ3-CE2 3.85Å; W298-F313 AromaticContact CZ3-CZ 3.63Å; W298-F313 HydrophobicContact CZ3-CZ 3.63Å; W298-H329 WeakPolarHBondContact CA-NE2 3.33Å; W298-R339 HydrophobicContact CB-CB 4.23Å; W298-R339 WeakPolarHBondContact O-CD 3.48Å; W298-R339 PolarHBondContact O-NH1 3.14Å; W298-L341 HydrophobicContact CB-CD1 4.16Å; W298-L341 HydrophobicContact CB-CG 4.06Å; W298-L341 HydrophobicContact CE3-CD1 4.13Å; W298-R368 HydrophobicContact CZ2-CG 4.47Å; W298-V389 HydrophobicContact CD2-CG1 4.32Å; W298-V389 HydrophobicContact CE3-CB 4.4Å; W298-V389 HydrophobicContact CE3-CG1 4Å; W298-V389 HydrophobicContact CH2-CG1 3.77Å; W298-V389 HydrophobicContact CZ2-CG1 4.12Å; W298-V389 HydrophobicContact CZ3-CB 4.24Å; W298-V389 HydrophobicContact CZ3-CG1 3.74Å; W298-V389 HydrophobicContact CZ3-CG2 4.36Å; W298-D391 HydrophobicContact CZ2-CB 4.13Å; W298-D391 PolarHBondContact NE1-OD2 2.93Å
299	T	91	Very high	91.6	Very high	58 Å²	58	69 Å²	69	36%	0.356	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-82.5	-20.8	176.9	61.9	0	0	0	0	112.2	P296 L297 R339	P296-T299 HydrophobicContact CB-CG2 4.07Å; P296-T299 HydrophobicContact CG-CG2 4.16Å; P296-T299 PolarHBondContact O-OG1 3.46Å; L297-T299 PolarHBondContact O-N 2.85Å; L297-T299 VanDerWaalsContact O-N 3.16Å; T299-R339 PolarHBondContact O-NH1 3.38Å
300	R	93.3	Very high	91.9	Very high	85 Å²	85	67.3 Å²	67.3	32%	0.321	34%	0.339	S	S	.	.	S	Bend	trans	-84	158.7	177.9	-70.3	167.3	58.7	-175.9	-1.2	111.3	L297 D304 I305 E309	L297-R300 PolarHBondContact O-N 3.43Å; R300-D304 PolarHBondContact NH2-O 3Å; R300-I305 HydrophobicContact CB-CD1 3.85Å; R300-I305 HydrophobicContact CB-CG1 4.05Å; R300-E309 IonicContact CZ-OE1 3.24Å; R300-E309 VanDerWaalsContact CZ-OE1 3.23Å; R300-E309 IonicContact NH1-OE1 2.66Å; R300-E309 PolarHBondContact NH1-OE1 2.76Å; R300-E309 IonicContact NH2-OE1 3.11Å; R300-E309 PolarHBondContact NH2-OE1 3.35Å; R300-E309 IonicContact NH2-OE2 2.85Å; R300-E309 PolarHBondContact NH2-OE2 3.37Å
301	N	92.6	Very high	92.1	Very high	80 Å²	80	63.4 Å²	63.4	43%	0.428	32%	0.321	S	S	.	.			trans	-64.4	127.1	172.5	-176.5	-2.8	0	0	0	109.8	D303 D304 I305	N301-D303 PolarHBondContact O-N 2.7Å; N301-D303 VanDerWaalsContact O-N 3.13Å; N301-D303 PolarHBondContact OD1-N 3.19Å; N301-D304 HydrophobicContact CB-CB 4.5Å; N301-D304 WeakPolarHBondContact CB-OD2 3.49Å; N301-D304 PolarHBondContact O-N 3.34Å; N301-I305 WeakPolarHBondContact O-CG1 3.42Å
302	P	93.5	Very high	92.3	Very high	58 Å²	58	68.5 Å²	68.5	38%	0.377	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-50.6	-34.4	178.2	-26	29.6	0	0	0	114.8	D304 I305	P302-D304 PolarHBondContact O-N 3.1Å; P302-I305 PolarHBondContact O-N 3.12Å
303	D	93.8	Very high	92.5	Very high	144 Å²	144	68.1 Å²	68.1	77%	0.77	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-70.7	-20.5	-177.4	-63.4	-27.9	0	0	0	113.1	N301	N301-D303 PolarHBondContact O-N 2.7Å; N301-D303 VanDerWaalsContact O-N 3.13Å; N301-D303 PolarHBondContact OD1-N 3.19Å
304	D	94.6	Very high	93	Very high	110 Å²	110	61.7 Å²	61.7	59%	0.588	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-97.6	10.6	-179.5	-60.7	-40.2	0	0	0	112.5	R300 N301 P302	R300-D304 PolarHBondContact NH2-O 3Å; N301-D304 HydrophobicContact CB-CB 4.5Å; N301-D304 WeakPolarHBondContact CB-OD2 3.49Å; N301-D304 PolarHBondContact O-N 3.34Å; P302-D304 PolarHBondContact O-N 3.1Å
305	I	95.8	Very high	93.6	Very high	16 Å²	16	63.5 Å²	63.5	8%	0.082	32%	0.319	C	S	.	.			trans	-115.5	122.4	-176.9	-54.3	167.7	0	0	0	109.5	L297 R300 N301 P302 E309 Y310	L297-I305 HydrophobicContact CD1-CG2 4.32Å; L297-I305 HydrophobicContact CD2-CG2 4.37Å; L297-I305 VanDerWaalsContact O-CD1 3.31Å; L297-I305 WeakPolarHBondContact O-CD1 3.29Å; R300-I305 HydrophobicContact CB-CD1 3.85Å; R300-I305 HydrophobicContact CB-CG1 4.05Å; N301-I305 WeakPolarHBondContact O-CG1 3.42Å; P302-I305 PolarHBondContact O-N 3.12Å; I305-E309 HydrophobicContact CG2-CB 4.01Å; I305-Y310 HydrophobicContact CB-CE2 3.78Å; I305-Y310 HydrophobicContact CD1-CE1 4.4Å; I305-Y310 WeakPolarHBondContact CD1-OH 3.49Å; I305-Y310 HydrophobicContact CG2-CD1 4.23Å; I305-Y310 HydrophobicContact CG2-CD2 3.73Å; I305-Y310 HydrophobicContact CG2-CE1 3.93Å; I305-Y310 HydrophobicContact CG2-CE2 3.41Å; I305-Y310 VanDerWaalsContact CG2-CE2 3.41Å; I305-Y310 HydrophobicContact CG2-CG 4.13Å
306	T	95.8	Very high	93.8	Very high	67 Å²	67	57.5 Å²	57.5	41%	0.411	30%	0.298	S	S	.	.			trans	-79.6	160.1	178.1	61.2	0	0	0	0	111.9	E308 E309 Y310	T306-E308 VanDerWaalsContact C-N 3.26Å; T306-E308 WeakPolarHBondContact CB-OE2 3.26Å; T306-E308 PolarHBondContact O-N 3.35Å; T306-E309 PolarHBondContact N-OE2 2.91Å; T306-E309 PolarHBondContact O-N 2.72Å; T306-E309 VanDerWaalsContact OG1-CG 3.27Å; T306-E309 WeakPolarHBondContact OG1-CG 2.89Å; T306-E309 PolarHBondContact OG1-N 2.61Å; T306-E309 PolarHBondContact OG1-OE2 2.86Å; T306-Y310 VanDerWaalsContact O-CD2 3.26Å; T306-Y310 WeakPolarHBondContact O-CD2 3.05Å; T306-Y310 PolarHBondContact O-N 3.32Å
307	N	93.7	Very high	93.8	Very high	100 Å²	100	57.2 Å²	57.2	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-68.2	-29.1	178.2	-167.8	52.9	0	0	0	111.9	Y310 G311 H324	N307-Y310 PolarHBondContact O-N 3.44Å; N307-G311 PolarHBondContact O-N 3.02Å; N307-H324 PolarHBondContact OD1-CE1 3.17Å
308	E	94.4	Very high	93.7	Very high	133 Å²	133	58.5 Å²	58.5	62%	0.621	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-45	173.5	-66.2	72.9	-161.5	0	0	111.2	T306 Y310 G311 E312	T306-E308 VanDerWaalsContact C-N 3.26Å; T306-E308 WeakPolarHBondContact CB-OE2 3.26Å; T306-E308 PolarHBondContact O-N 3.35Å; E308-Y310 PolarHBondContact O-N 3.08Å; E308-G311 PolarHBondContact O-N 3.48Å; E308-G311 VanDerWaalsContact O-N 3.16Å; E308-E312 PolarHBondContact O-N 2.78Å
309	E	94.7	Very high	93.4	Very high	54 Å²	54	64.1 Å²	64.1	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-42	176.4	-72.4	170.7	109.9	0	0	111.7	L297 R300 I305 T306 G311 E312 F313	L297-E309 WeakPolarHBondContact CD1-O 3.08Å; R300-E309 IonicContact CZ-OE1 3.24Å; R300-E309 VanDerWaalsContact CZ-OE1 3.23Å; R300-E309 IonicContact NH1-OE1 2.66Å; R300-E309 PolarHBondContact NH1-OE1 2.76Å; R300-E309 IonicContact NH2-OE1 3.11Å; R300-E309 PolarHBondContact NH2-OE1 3.35Å; R300-E309 IonicContact NH2-OE2 2.85Å; R300-E309 PolarHBondContact NH2-OE2 3.37Å; I305-E309 HydrophobicContact CG2-CB 4.01Å; T306-E309 PolarHBondContact N-OE2 2.91Å; T306-E309 PolarHBondContact O-N 2.72Å; T306-E309 VanDerWaalsContact OG1-CG 3.27Å; T306-E309 WeakPolarHBondContact OG1-CG 2.89Å; T306-E309 PolarHBondContact OG1-N 2.61Å; T306-E309 PolarHBondContact OG1-OE2 2.86Å; E309-G311 VanDerWaalsContact C-N 3.32Å; E309-G311 PolarHBondContact O-N 3.4Å; E309-E312 PolarHBondContact O-N 3.29Å; E309-F313 WeakPolarHBondContact O-CB 3.45Å; E309-F313 PolarHBondContact O-N 3.42Å
310	Y	96.5	Very high	93.4	Very high	18 Å²	18	63.4 Å²	63.4	7%	0.071	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-39.3	173.1	-75.5	-61.7	0	0	0	112.3	L297 I305 T306 N307 E308 F313 Y314 H324 V327 H329 L341 F343	L297-Y310 HydrophobicContact CD1-CD1 3.87Å; L297-Y310 HydrophobicContact CD1-CE1 4.33Å; L297-Y310 HydrophobicContact CD1-CG 4.49Å; I305-Y310 HydrophobicContact CB-CE2 3.78Å; I305-Y310 HydrophobicContact CD1-CE1 4.4Å; I305-Y310 WeakPolarHBondContact CD1-OH 3.49Å; I305-Y310 HydrophobicContact CG2-CD1 4.23Å; I305-Y310 HydrophobicContact CG2-CD2 3.73Å; I305-Y310 HydrophobicContact CG2-CE1 3.93Å; I305-Y310 HydrophobicContact CG2-CE2 3.41Å; I305-Y310 VanDerWaalsContact CG2-CE2 3.41Å; I305-Y310 HydrophobicContact CG2-CG 4.13Å; T306-Y310 VanDerWaalsContact O-CD2 3.26Å; T306-Y310 WeakPolarHBondContact O-CD2 3.05Å; T306-Y310 PolarHBondContact O-N 3.32Å; N307-Y310 PolarHBondContact O-N 3.44Å; E308-Y310 PolarHBondContact O-N 3.08Å; Y310-F313 PolarHBondContact O-N 3.41Å; Y310-Y314 VanDerWaalsContact O-CB 3.31Å; Y310-Y314 WeakPolarHBondContact O-CB 3.21Å; Y310-Y314 PolarHBondContact O-N 3.24Å; Y310-H324 WeakPolarHBondContact CB-NE2 3.06Å; Y310-V327 HydrophobicContact CD1-CG2 3.98Å; Y310-V327 HydrophobicContact CD2-CG1 4.22Å; Y310-V327 HydrophobicContact CE1-CG2 4.28Å; Y310-V327 HydrophobicContact CG-CG1 4.2Å; Y310-V327 HydrophobicContact CG-CG2 4.34Å; Y310-H329 PolarHBondContact OH-ND1 3.01Å; Y310-L341 HydrophobicContact CD1-CD2 4.43Å; Y310-L341 HydrophobicContact CE1-CD1 4.44Å; Y310-L341 HydrophobicContact CE1-CD2 3.66Å; Y310-F343 HydrophobicContact CD1-CE1 4.37Å; Y310-F343 HydrophobicContact CD1-CZ 4.32Å
311	G	95.6	Very high	93.3	Very high	2 Å²	2	68.5 Å²	68.5	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-50.1	176.1	0	0	0	0	0	112.6	N307 E308 E309 F313 Y314 K315	N307-G311 PolarHBondContact O-N 3.02Å; E308-G311 PolarHBondContact O-N 3.48Å; E308-G311 VanDerWaalsContact O-N 3.16Å; E309-G311 VanDerWaalsContact C-N 3.32Å; E309-G311 PolarHBondContact O-N 3.4Å; G311-F313 VanDerWaalsContact C-N 3.34Å; G311-F313 PolarHBondContact O-N 3.41Å; G311-Y314 WeakPolarHBondContact O-CB 3.34Å; G311-Y314 PolarHBondContact O-N 3.24Å; G311-K315 WeakPolarHBondContact O-CG 3.31Å; G311-K315 PolarHBondContact O-N 3.43Å
312	E	93.9	Very high	93.4	Very high	140 Å²	140	66.8 Å²	66.8	65%	0.654	34%	0.336	S	S	*	.	H	α-helix	trans	-60.7	-43	176.5	-71.3	-174.4	169.3	0	0	112	E308 E309 K315 S316	E308-E312 PolarHBondContact O-N 2.78Å; E309-E312 PolarHBondContact O-N 3.29Å; E312-K315 PolarHBondContact O-N 3.3Å; E312-S316 WeakPolarHBondContact O-CB 3.34Å; E312-S316 PolarHBondContact O-N 2.9Å
313	F	94.4	Very high	93.6	Very high	5 Å²	5	67 Å²	67	2%	0.022	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-43.7	175.9	178.6	-87.7	0	0	0	111.9	F209 T294 L297 W298 E309 Y310 G311 S316 L317 L341 F343 V389	F209-F313 AromaticContact CE1-CE2 3.63Å; F209-F313 HydrophobicContact CE1-CE2 3.63Å; F209-F313 HydrophobicContact CE1-CZ 4.27Å; F209-F313 AromaticContact CZ-CE2 3.83Å; F209-F313 HydrophobicContact CZ-CE2 3.83Å; F209-F313 HydrophobicContact CZ-CZ 4.02Å; T294-F313 HydrophobicContact CG2-CD2 3.85Å; T294-F313 HydrophobicContact CG2-CE2 4.16Å; L297-F313 HydrophobicContact CB-CD2 4.37Å; L297-F313 HydrophobicContact CD1-CB 3.34Å; L297-F313 HydrophobicContact CD1-CD1 4.34Å; L297-F313 HydrophobicContact CD1-CD2 4.05Å; L297-F313 HydrophobicContact CD1-CG 3.66Å; L297-F313 HydrophobicContact CG-CB 4.06Å; L297-F313 HydrophobicContact CG-CD2 3.86Å; L297-F313 HydrophobicContact CG-CG 4.01Å; W298-F313 HydrophobicContact CE3-CE2 4.4Å; W298-F313 HydrophobicContact CE3-CZ 4.11Å; W298-F313 AromaticContact CZ3-CE2 3.85Å; W298-F313 HydrophobicContact CZ3-CE2 3.85Å; W298-F313 AromaticContact CZ3-CZ 3.63Å; W298-F313 HydrophobicContact CZ3-CZ 3.63Å; E309-F313 WeakPolarHBondContact O-CB 3.45Å; E309-F313 PolarHBondContact O-N 3.42Å; Y310-F313 PolarHBondContact O-N 3.41Å; G311-F313 VanDerWaalsContact C-N 3.34Å; G311-F313 PolarHBondContact O-N 3.41Å; F313-S316 PolarHBondContact O-N 2.73Å; F313-L317 HydrophobicContact CE1-CB 4.37Å; F313-L317 HydrophobicContact CE1-CD2 4.02Å; F313-L317 VanDerWaalsContact O-CB 3.29Å; F313-L317 WeakPolarHBondContact O-CB 3.4Å; F313-L317 PolarHBondContact O-N 2.58Å; F313-L341 HydrophobicContact CD1-CD1 4.37Å; F313-L341 HydrophobicContact CE1-CD1 4.02Å; F313-L341 HydrophobicContact CZ-CD1 4.39Å; F313-F343 AromaticContact CD1-CE2 3.95Å; F313-F343 HydrophobicContact CD1-CE2 3.95Å; F313-F343 AromaticContact CD1-CZ 3.7Å; F313-F343 HydrophobicContact CD1-CZ 3.7Å; F313-F343 AromaticContact CE1-CE2 3.92Å; F313-F343 HydrophobicContact CE1-CE2 3.92Å; F313-F343 HydrophobicContact CE1-CZ 4.12Å; F313-V389 HydrophobicContact CZ-CG2 4.22Å
314	Y	95.6	Very high	93.7	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-47.6	176.9	171	-101.6	0	0	0	112.1	Y310 G311 S316 L317 T318 D320 E322 H324 F343 P345 R387	Y310-Y314 VanDerWaalsContact O-CB 3.31Å; Y310-Y314 WeakPolarHBondContact O-CB 3.21Å; Y310-Y314 PolarHBondContact O-N 3.24Å; G311-Y314 WeakPolarHBondContact O-CB 3.34Å; G311-Y314 PolarHBondContact O-N 3.24Å; Y314-S316 VanDerWaalsContact C-N 3.34Å; Y314-S316 PolarHBondContact O-N 3.11Å; Y314-L317 PolarHBondContact O-N 3.5Å; Y314-T318 HydrophobicContact CD2-CG2 3.91Å; Y314-T318 HydrophobicContact CE2-CG2 3.63Å; Y314-T318 WeakPolarHBondContact O-CB 3.23Å; Y314-T318 PolarHBondContact O-N 2.69Å; Y314-T318 PolarHBondContact O-OG1 2.83Å; Y314-D320 HydrophobicContact CE1-CB 3.87Å; Y314-D320 PolarHBondContact OH-OD2 3.16Å; Y314-E322 WeakPolarHBondContact CE1-O 3.4Å; Y314-H324 HydrophobicContact CD1-CB 3.95Å; Y314-H324 HydrophobicContact CD2-CB 3.97Å; Y314-H324 HydrophobicContact CE1-CB 4.16Å; Y314-H324 HydrophobicContact CE2-CB 4.18Å; Y314-H324 HydrophobicContact CG-CB 3.84Å; Y314-F343 HydrophobicContact CD2-CB 3.63Å; Y314-F343 AromaticContact CD2-CD1 3.84Å; Y314-F343 HydrophobicContact CD2-CD1 3.84Å; Y314-F343 HydrophobicContact CD2-CD2 4.24Å; Y314-F343 AromaticContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CE2-CB 3.83Å; Y314-F343 HydrophobicContact CE2-CG 4.36Å; Y314-F343 HydrophobicContact CG-CD1 4.26Å; Y314-F343 HydrophobicContact CG-CG 4.48Å; Y314-P345 WeakPolarHBondContact OH-CA 3.35Å; Y314-P345 WeakPolarHBondContact OH-CB 3.26Å; Y314-R387 HydrophobicContact CE2-CB 4.27Å; Y314-R387 HydrophobicContact CE2-CG 4.43Å
315	K	93.5	Very high	93.9	Very high	68 Å²	68	56.1 Å²	56.1	30%	0.296	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-45.1	176.2	-68.6	175.5	-179.3	156.4	0	111.1	G311 E312 L317 N319 D320 W321 D323	G311-K315 WeakPolarHBondContact O-CG 3.31Å; G311-K315 PolarHBondContact O-N 3.43Å; E312-K315 PolarHBondContact O-N 3.3Å; K315-L317 VanDerWaalsContact C-N 3.32Å; K315-L317 PolarHBondContact O-N 2.77Å; K315-N319 WeakPolarHBondContact O-CA 3.47Å; K315-N319 PolarHBondContact O-N 3.21Å; K315-D320 WeakPolarHBondContact CA-O 3.48Å; K315-D320 WeakPolarHBondContact CB-O 3.39Å; K315-D320 VanDerWaalsContact CG-O 3.31Å; K315-D320 WeakPolarHBondContact CG-O 3.2Å; K315-W321 VanDerWaalsContact CE-O 3.26Å; K315-W321 WeakPolarHBondContact CE-O 3.41Å; K315-D323 WeakPolarHBondContact CE-OD1 3.26Å; K315-D323 IonicContact NZ-OD1 2.61Å; K315-D323 PolarHBondContact NZ-OD1 3.47Å; K315-D323 IonicContact NZ-OD2 2.81Å; K315-D323 PolarHBondContact NZ-OD2 2.92Å
316	S	89.3	Confident	94	Very high	35 Å²	35	56 Å²	56	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-34.5	176.7	-179.6	0	0	0	0	113.3	T294 E312 F313 Y314	T294-S316 PolarHBondContact OG1-OG 2.79Å; E312-S316 WeakPolarHBondContact O-CB 3.34Å; E312-S316 PolarHBondContact O-N 2.9Å; F313-S316 PolarHBondContact O-N 2.73Å; Y314-S316 VanDerWaalsContact C-N 3.34Å; Y314-S316 PolarHBondContact O-N 3.11Å
317	L	90.2	Very high	94.1	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-74.9	-41.2	-178.4	176.8	65.8	0	0	0	112.1	F313 Y314 K315 F343 K363 V389	F313-L317 HydrophobicContact CE1-CB 4.37Å; F313-L317 HydrophobicContact CE1-CD2 4.02Å; F313-L317 VanDerWaalsContact O-CB 3.29Å; F313-L317 WeakPolarHBondContact O-CB 3.4Å; F313-L317 PolarHBondContact O-N 2.58Å; Y314-L317 PolarHBondContact O-N 3.5Å; K315-L317 VanDerWaalsContact C-N 3.32Å; K315-L317 PolarHBondContact O-N 2.77Å; L317-F343 HydrophobicContact CD2-CE2 4.45Å; L317-K363 HydrophobicContact CD1-CD 4.2Å; L317-V389 HydrophobicContact CD1-CG2 3.8Å; L317-V389 HydrophobicContact CD2-CG2 3.96Å
318	T	90.3	Very high	94.3	Very high	36 Å²	36	51.1 Å²	51.1	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-103.2	-16.9	-168.7	61.2	0	0	0	0	113.7	Y314 D320 R387	Y314-T318 HydrophobicContact CD2-CG2 3.91Å; Y314-T318 HydrophobicContact CE2-CG2 3.63Å; Y314-T318 WeakPolarHBondContact O-CB 3.23Å; Y314-T318 PolarHBondContact O-N 2.69Å; Y314-T318 PolarHBondContact O-OG1 2.83Å; T318-D320 PolarHBondContact O-N 3.42Å; T318-D320 VanDerWaalsContact OG1-CB 3.31Å; T318-D320 WeakPolarHBondContact OG1-CB 3.3Å; T318-D320 PolarHBondContact OG1-N 3.31Å; T318-D320 VanDerWaalsContact OG1-N 3.16Å; T318-R387 HydrophobicContact CG2-CB 3.9Å; T318-R387 HydrophobicContact CG2-CG 3.86Å
319	N	88.9	Confident	94.4	Very high	121 Å²	121	46.2 Å²	46.2	65%	0.647	23%	0.225	S	C	*	.			trans	57.6	24.2	-164.2	-43.7	-66.7	0	0	0	113.2	K204 K315	K204-N319 PolarHBondContact NZ-OD1 2.92Å; K315-N319 WeakPolarHBondContact O-CA 3.47Å; K315-N319 PolarHBondContact O-N 3.21Å
320	D	92	Very high	94.5	Very high	44 Å²	44	44.3 Å²	44.3	24%	0.235	22%	0.216	C	C	.	.			trans	-74.2	145.3	166.2	-159.2	-21.7	0	0	0	109.4	Y314 K315 T318 E322	Y314-D320 HydrophobicContact CE1-CB 3.87Å; Y314-D320 PolarHBondContact OH-OD2 3.16Å; K315-D320 WeakPolarHBondContact CA-O 3.48Å; K315-D320 WeakPolarHBondContact CB-O 3.39Å; K315-D320 VanDerWaalsContact CG-O 3.31Å; K315-D320 WeakPolarHBondContact CG-O 3.2Å; T318-D320 PolarHBondContact O-N 3.42Å; T318-D320 VanDerWaalsContact OG1-CB 3.31Å; T318-D320 WeakPolarHBondContact OG1-CB 3.3Å; T318-D320 PolarHBondContact OG1-N 3.31Å; T318-D320 VanDerWaalsContact OG1-N 3.16Å; D320-E322 PolarHBondContact OD1-N 2.92Å
321	W	91.3	Very high	94.5	Very high	191 Å²	191	46.3 Å²	46.3	72%	0.723	23%	0.233	S	C	*	.	S	Bend	trans	-91.3	-20.2	174.8	59.9	-89.4	0	0	0	111.8	K315	K315-W321 VanDerWaalsContact CE-O 3.26Å; K315-W321 WeakPolarHBondContact CE-O 3.41Å
322	E	94.6	Very high	94.4	Very high	44 Å²	44	47.6 Å²	47.6	21%	0.206	24%	0.24	C	C	.	.	S	Bend	trans	-88.6	153.5	175.3	-149.7	179.2	164.9	0	0	110.8	Y314 D320 R346 R347	Y314-E322 WeakPolarHBondContact CE1-O 3.4Å; D320-E322 PolarHBondContact OD1-N 2.92Å; E322-R346 WeakPolarHBondContact OE1-CD 3.27Å; E322-R347 IonicContact OE2-CZ 3.48Å; E322-R347 IonicContact OE2-NE 3.49Å; E322-R347 PolarHBondContact OE2-NE 2.77Å; E322-R347 IonicContact OE2-NH2 2.68Å; E322-R347 PolarHBondContact OE2-NH2 2.83Å
323	D	96.4	Very high	94.1	Very high	64 Å²	64	48.5 Å²	48.5	34%	0.342	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-71.8	160.6	172.2	-68.9	-45.8	0	0	0	111.4	K315 R346	K315-D323 WeakPolarHBondContact CE-OD1 3.26Å; K315-D323 IonicContact NZ-OD1 2.61Å; K315-D323 PolarHBondContact NZ-OD1 3.47Å; K315-D323 IonicContact NZ-OD2 2.81Å; K315-D323 PolarHBondContact NZ-OD2 2.92Å; D323-R346 WeakPolarHBondContact O-CD 3.27Å; D323-R346 WeakPolarHBondContact O-CG 3.44Å; D323-R346 PolarHBondContact O-NE 2.86Å
324	H	97.1	Very high	93.6	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.032	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-64	158.6	171.1	62.2	78.6	0	0	0	111.9	N307 Y310 Y314 F343 R346	N307-H324 PolarHBondContact OD1-CE1 3.17Å; Y310-H324 WeakPolarHBondContact CB-NE2 3.06Å; Y314-H324 HydrophobicContact CD1-CB 3.95Å; Y314-H324 HydrophobicContact CD2-CB 3.97Å; Y314-H324 HydrophobicContact CE1-CB 4.16Å; Y314-H324 HydrophobicContact CE2-CB 4.18Å; Y314-H324 HydrophobicContact CG-CB 3.84Å; H324-F343 HydrophobicContact CB-CB 4.37Å; H324-F343 HydrophobicContact CB-CD1 3.94Å; H324-F343 AromaticContact CD2-CD1 3.54Å; H324-F343 AromaticContact CD2-CE1 3.67Å; H324-F343 AromaticContact CG-CD1 3.71Å; H324-F343 AromaticContact NE2-CE1 3.99Å; H324-R346 PolarHBondContact O-NE 2.74Å; H324-R346 VanDerWaalsContact O-NE 3.16Å; H324-R346 PolarHBondContact O-NH2 2.96Å
325	L	97.3	Very high	92.7	Very high	17 Å²	17	60.9 Å²	60.9	9%	0.089	32%	0.32	C	S	.	.	S	Bend	trans	-79.4	-44.7	172.6	-175.9	62.1	0	0	0	110.9	V344 R346 L428 N434 F438	L325-V344 HydrophobicContact CB-CB 4.45Å; L325-V344 HydrophobicContact CB-CG1 4.21Å; L325-V344 WeakPolarHBondContact CB-O 3.35Å; L325-V344 HydrophobicContact CD2-CG1 4.13Å; L325-V344 PolarHBondContact N-O 3.36Å; L325-R346 HydrophobicContact CB-CG 3.86Å; L325-R346 HydrophobicContact CD1-CG 4.31Å; L325-L428 HydrophobicContact CD2-CD2 4.32Å; L325-N434 HydrophobicContact CD1-CB 4.36Å; L325-F438 HydrophobicContact CD2-CB 3.64Å; L325-F438 HydrophobicContact CD2-CD2 4.32Å; L325-F438 HydrophobicContact CD2-CG 4.48Å
326	A	97.8	Very high	92.3	Very high	14 Å²	14	59 Å²	59	12%	0.116	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	153.6	-178.5	0	0	0	0	0	110.4	F343 V344 L424 L428	A326-F343 WeakPolarHBondContact O-CA 3.45Å; A326-V344 HydrophobicContact CB-CB 4.26Å; A326-V344 HydrophobicContact CB-CG2 4.41Å; A326-V344 PolarHBondContact N-O 3.42Å; A326-V344 PolarHBondContact O-N 3.49Å; A326-L424 HydrophobicContact CB-CD1 4.07Å; A326-L424 HydrophobicContact CB-CD2 4.48Å; A326-L428 HydrophobicContact CB-CD1 4.12Å; A326-L428 HydrophobicContact CB-CD2 4.46Å
327	V	97.9	Very high	92.4	Very high	32 Å²	32	61.8 Å²	61.8	19%	0.194	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.9	179.5	60.3	0	0	0	0	110.2	Y310 L342 F343	Y310-V327 HydrophobicContact CD1-CG2 3.98Å; Y310-V327 HydrophobicContact CD2-CG1 4.22Å; Y310-V327 HydrophobicContact CE1-CG2 4.28Å; Y310-V327 HydrophobicContact CG-CG1 4.2Å; Y310-V327 HydrophobicContact CG-CG2 4.34Å; V327-L342 CarbonylContact C-O 3.37Å; V327-L342 VanDerWaalsContact CA-O 3.31Å; V327-L342 WeakPolarHBondContact CA-O 3.31Å; V327-F343 HydrophobicContact CB-CD1 3.81Å; V327-F343 HydrophobicContact CB-CE1 3.86Å; V327-F343 HydrophobicContact CG2-CD1 3.64Å; V327-F343 HydrophobicContact CG2-CE1 3.34Å; V327-F343 HydrophobicContact CG2-CG 4.39Å; V327-F343 HydrophobicContact CG2-CZ 3.86Å
328	K	97.9	Very high	92.6	Very high	32 Å²	32	61.2 Å²	61.2	14%	0.139	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.4	169.8	-163.8	65.1	166.4	179.9	0	109.8	F330 L342 L424 E427	K328-F330 HydrophobicContact CG-CD1 4.22Å; K328-L342 HydrophobicContact CB-CB 4.49Å; K328-L342 PolarHBondContact N-O 3.42Å; K328-L342 PolarHBondContact O-N 2.75Å; K328-L424 HydrophobicContact CB-CB 4.23Å; K328-L424 HydrophobicContact CB-CD1 4.15Å; K328-L424 HydrophobicContact CB-CD2 4.02Å; K328-L424 HydrophobicContact CB-CG 4.35Å; K328-L424 HydrophobicContact CD-CB 4.4Å; K328-L424 HydrophobicContact CD-CD1 4.34Å; K328-L424 HydrophobicContact CG-CB 4.42Å; K328-E427 IonicContact NZ-OE1 3.21Å; K328-E427 PolarHBondContact NZ-OE1 3.06Å; K328-E427 IonicContact NZ-OE2 2.73Å; K328-E427 PolarHBondContact NZ-OE2 3.13Å
329	H	97.8	Very high	92.9	Very high	31 Å²	31	64.2 Å²	64.2	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.7	169.9	-169.3	173.6	0	0	0	109	W298 Y310 L341	W298-H329 WeakPolarHBondContact CA-NE2 3.33Å; Y310-H329 PolarHBondContact OH-ND1 3.01Å; H329-L341 HydrophobicContact CB-CD2 3.47Å; H329-L341 VanDerWaalsContact CB-CD2 3.47Å
330	F	96.7	Very high	93.2	Very high	14 Å²	14	58.5 Å²	58.5	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	156.7	173.6	64.9	-81	0	0	0	112.2	K328 V332 F338 A340 L342 L417 K420	K328-F330 HydrophobicContact CG-CD1 4.22Å; F330-V332 HydrophobicContact CD2-CG2 4.04Å; F330-V332 HydrophobicContact CE2-CG2 4.04Å; F330-F338 AromaticContact CE2-CE2 3.78Å; F330-F338 HydrophobicContact CE2-CE2 3.78Å; F330-F338 HydrophobicContact CE2-CZ 4.26Å; F330-F338 HydrophobicContact CZ-CE2 4.35Å; F330-A340 HydrophobicContact CD1-CB 4.38Å; F330-A340 HydrophobicContact CE1-CB 3.76Å; F330-A340 HydrophobicContact CE2-CB 4.09Å; F330-A340 HydrophobicContact CZ-CB 3.61Å; F330-A340 PolarHBondContact N-O 3.49Å; F330-A340 VanDerWaalsContact N-O 3.13Å; F330-A340 PolarHBondContact O-N 3.39Å; F330-L342 HydrophobicContact CE1-CD1 3.64Å; F330-L342 HydrophobicContact CE1-CG 3.94Å; F330-L342 HydrophobicContact CZ-CD1 4.13Å; F330-L417 HydrophobicContact CE2-CD2 4.42Å; F330-L417 HydrophobicContact CZ-CD2 3.65Å; F330-K420 HydrophobicContact CB-CD 4.34Å; F330-K420 HydrophobicContact CD1-CB 3.96Å; F330-K420 HydrophobicContact CD1-CD 4.33Å; F330-K420 HydrophobicContact CD1-CG 3.85Å; F330-K420 HydrophobicContact CD2-CD 4.31Å; F330-K420 HydrophobicContact CD2-CG 3.74Å; F330-K420 HydrophobicContact CE1-CB 3.65Å; F330-K420 HydrophobicContact CE1-CG 3.83Å; F330-K420 HydrophobicContact CE2-CB 4.35Å; F330-K420 HydrophobicContact CE2-CG 3.72Å; F330-K420 HydrophobicContact CG-CB 4.42Å; F330-K420 HydrophobicContact CG-CD 4.08Å; F330-K420 HydrophobicContact CG-CG 3.79Å; F330-K420 HydrophobicContact CZ-CB 3.84Å; F330-K420 HydrophobicContact CZ-CG 3.74Å
331	S	95.2	Very high	93.5	Very high	60 Å²	60	56.4 Å²	56.4	42%	0.42	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	155.3	164.7	64.2	0	0	0	0	110.2	F338	S331-F338 CarbonylContact C-O 3.55Å; S331-F338 WeakPolarHBondContact CA-O 3.47Å
332	V	93.7	Very high	93.8	Very high	29 Å²	29	47.3 Å²	47.3	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.4	166.6	178.9	0	0	0	0	106.7	F330 E337 F338 N416	F330-V332 HydrophobicContact CD2-CG2 4.04Å; F330-V332 HydrophobicContact CE2-CG2 4.04Å; V332-E337 VanDerWaalsContact O-CA 3.3Å; V332-E337 WeakPolarHBondContact O-CA 3.27Å; V332-F338 HydrophobicContact CB-CD1 3.98Å; V332-F338 HydrophobicContact CB-CE1 3.66Å; V332-F338 HydrophobicContact CB-CZ 3.98Å; V332-F338 HydrophobicContact CG1-CE1 4.07Å; V332-F338 HydrophobicContact CG2-CD1 4.41Å; V332-F338 HydrophobicContact CG2-CE1 3.71Å; V332-F338 HydrophobicContact CG2-CE2 4.03Å; V332-F338 HydrophobicContact CG2-CZ 3.49Å; V332-F338 VanDerWaalsContact CG2-CZ 3.49Å; V332-F338 PolarHBondContact N-O 3.24Å; V332-F338 PolarHBondContact O-N 2.8Å; V332-F338 VanDerWaalsContact O-N 3.13Å; V332-N416 HydrophobicContact CG2-CB 4.28Å
333	E	87.9	Confident	94	Very high	158 Å²	158	45.2 Å²	45.2	74%	0.738	24%	0.24	S	C	*	.			trans	-107.7	152.1	177.5	-64.2	174.7	-170.7	0	0	109.8
334	G	83.8	Confident	94.1	Very high	64 Å²	64	42.1 Å²	42.1	66%	0.66	22%	0.223	S	C	*	.	S	Bend	trans	132	-141.9	177.4	0	0	0	0	0	112.4	L336	G334-L336 PolarHBondContact O-N 3.49Å
335	Q	77.6	Confident	94.1	Very high	205 Å²	205	42 Å²	42	96%	0.958	22%	0.223	S	C	*	.	S	Bend	trans	-64.2	-27	179.8	-173.7	178	8.8	0	0	113
336	L	85.6	Confident	94.1	Very high	28 Å²	28	45.1 Å²	45.1	15%	0.147	23%	0.234	C	C	.	.	S	Bend	trans	-126.6	104.9	175.1	179.5	69.8	0	0	0	108	G334 F338 L395 I409 V412 I413	G334-L336 PolarHBondContact O-N 3.49Å; L336-F338 HydrophobicContact CD2-CD1 4.18Å; L336-F338 HydrophobicContact CD2-CE1 4.25Å; L336-F338 HydrophobicContact CG-CD1 4.13Å; L336-L395 HydrophobicContact CD1-CD2 3.54Å; L336-I409 HydrophobicContact CD1-CG2 3.69Å; L336-I409 HydrophobicContact CD2-CG2 3.76Å; L336-I409 HydrophobicContact CG-CG2 4.39Å; L336-V412 HydrophobicContact CD2-CB 4.39Å; L336-V412 HydrophobicContact CD2-CG1 4.17Å; L336-I413 HydrophobicContact CD2-CD1 4.21Å; L336-I413 HydrophobicContact CD2-CG1 3.55Å
337	E	90.4	Very high	94	Very high	93 Å²	93	51 Å²	51	44%	0.435	25%	0.253	S	S	.	.			trans	-93	125.6	178.3	-168.1	179	167.3	0	0	110.9	V332 S392	V332-E337 VanDerWaalsContact O-CA 3.3Å; V332-E337 WeakPolarHBondContact O-CA 3.27Å; E337-S392 WeakPolarHBondContact O-CB 3.1Å; E337-S392 PolarHBondContact O-OG 3.35Å
338	F	94.4	Very high	93.8	Very high	2 Å²	2	51 Å²	51	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	156.5	171.6	70.2	-89.5	0	0	0	111.6	F330 S331 V332 L336 A340 V390 D391 I413 N416 L417	F330-F338 AromaticContact CE2-CE2 3.78Å; F330-F338 HydrophobicContact CE2-CE2 3.78Å; F330-F338 HydrophobicContact CE2-CZ 4.26Å; F330-F338 HydrophobicContact CZ-CE2 4.35Å; S331-F338 CarbonylContact C-O 3.55Å; S331-F338 WeakPolarHBondContact CA-O 3.47Å; V332-F338 HydrophobicContact CB-CD1 3.98Å; V332-F338 HydrophobicContact CB-CE1 3.66Å; V332-F338 HydrophobicContact CB-CZ 3.98Å; V332-F338 HydrophobicContact CG1-CE1 4.07Å; V332-F338 HydrophobicContact CG2-CD1 4.41Å; V332-F338 HydrophobicContact CG2-CE1 3.71Å; V332-F338 HydrophobicContact CG2-CE2 4.03Å; V332-F338 HydrophobicContact CG2-CZ 3.49Å; V332-F338 VanDerWaalsContact CG2-CZ 3.49Å; V332-F338 PolarHBondContact N-O 3.24Å; V332-F338 PolarHBondContact O-N 2.8Å; V332-F338 VanDerWaalsContact O-N 3.13Å; L336-F338 HydrophobicContact CD2-CD1 4.18Å; L336-F338 HydrophobicContact CD2-CE1 4.25Å; L336-F338 HydrophobicContact CG-CD1 4.13Å; F338-A340 HydrophobicContact CD2-CB 4.31Å; F338-A340 HydrophobicContact CE2-CB 4.26Å; F338-V390 HydrophobicContact CB-CG1 4.4Å; F338-V390 HydrophobicContact CD2-CG1 3.72Å; F338-V390 HydrophobicContact CE2-CG1 4.29Å; F338-V390 HydrophobicContact CG-CG1 4.26Å; F338-D391 CarbonylContact C-O 3.58Å; F338-D391 VanDerWaalsContact CA-O 3.25Å; F338-D391 WeakPolarHBondContact CA-O 3.37Å; F338-D391 VanDerWaalsContact CB-O 3.28Å; F338-D391 WeakPolarHBondContact CB-O 3.49Å; F338-I413 HydrophobicContact CD1-CG1 4.41Å; F338-I413 HydrophobicContact CE1-CG1 4.18Å; F338-I413 HydrophobicContact CE2-CG2 4.48Å; F338-I413 HydrophobicContact CZ-CG2 4.3Å; F338-N416 HydrophobicContact CZ-CB 3.87Å; F338-L417 HydrophobicContact CE2-CD2 4.17Å
339	R	95.9	Very high	93.6	Very high	99 Å²	99	51.2 Å²	51.2	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.5	171	-55.6	-172.2	-172.9	-178.9	4.3	109.3	W298 T299 D391	W298-R339 HydrophobicContact CB-CB 4.23Å; W298-R339 WeakPolarHBondContact O-CD 3.48Å; W298-R339 PolarHBondContact O-NH1 3.14Å; T299-R339 PolarHBondContact O-NH1 3.38Å; R339-D391 PolarHBondContact N-O 3.3Å; R339-D391 PolarHBondContact O-N 2.93Å
340	A	96.8	Very high	93.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146	-178.6	0	0	0	0	0	112.7	F330 F338 V389 V390 L417	F330-A340 HydrophobicContact CD1-CB 4.38Å; F330-A340 HydrophobicContact CE1-CB 3.76Å; F330-A340 HydrophobicContact CE2-CB 4.09Å; F330-A340 HydrophobicContact CZ-CB 3.61Å; F330-A340 PolarHBondContact N-O 3.49Å; F330-A340 VanDerWaalsContact N-O 3.13Å; F330-A340 PolarHBondContact O-N 3.39Å; F338-A340 HydrophobicContact CD2-CB 4.31Å; F338-A340 HydrophobicContact CE2-CB 4.26Å; A340-V389 VanDerWaalsContact CA-O 3.23Å; A340-V389 WeakPolarHBondContact CA-O 3.32Å; A340-V390 HydrophobicContact CB-CG2 4.09Å; A340-L417 HydrophobicContact CB-CD2 4.31Å
341	L	97.8	Very high	93	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.2	168.3	-68.2	176.4	0	0	0	108.7	L297 W298 Y310 F313 H329 F343 G388 V389	L297-L341 HydrophobicContact CB-CD1 3.79Å; W298-L341 HydrophobicContact CB-CD1 4.16Å; W298-L341 HydrophobicContact CB-CG 4.06Å; W298-L341 HydrophobicContact CE3-CD1 4.13Å; Y310-L341 HydrophobicContact CD1-CD2 4.43Å; Y310-L341 HydrophobicContact CE1-CD1 4.44Å; Y310-L341 HydrophobicContact CE1-CD2 3.66Å; F313-L341 HydrophobicContact CD1-CD1 4.37Å; F313-L341 HydrophobicContact CE1-CD1 4.02Å; F313-L341 HydrophobicContact CZ-CD1 4.39Å; H329-L341 HydrophobicContact CB-CD2 3.47Å; H329-L341 VanDerWaalsContact CB-CD2 3.47Å; L341-F343 HydrophobicContact CB-CE2 3.74Å; L341-F343 HydrophobicContact CB-CZ 4.21Å; L341-F343 HydrophobicContact CD1-CZ 4.46Å; L341-G388 CarbonylContact O-C 3.56Å; L341-G388 WeakPolarHBondContact O-CA 3.5Å; L341-V389 PolarHBondContact N-O 3.39Å; L341-V389 PolarHBondContact O-N 2.96Å
342	L	98	Very high	92.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.2	177.9	-57.4	-180	0	0	0	109.5	V327 K328 F330 I362 I386 R387 L417	V327-L342 CarbonylContact C-O 3.37Å; V327-L342 VanDerWaalsContact CA-O 3.31Å; V327-L342 WeakPolarHBondContact CA-O 3.31Å; K328-L342 HydrophobicContact CB-CB 4.49Å; K328-L342 PolarHBondContact N-O 3.42Å; K328-L342 PolarHBondContact O-N 2.75Å; F330-L342 HydrophobicContact CE1-CD1 3.64Å; F330-L342 HydrophobicContact CE1-CG 3.94Å; F330-L342 HydrophobicContact CZ-CD1 4.13Å; L342-I362 HydrophobicContact CD2-CD1 3.88Å; L342-I386 HydrophobicContact CB-CG2 3.95Å; L342-I386 HydrophobicContact CD2-CG2 4.08Å; L342-I386 HydrophobicContact CG-CG2 4.46Å; L342-R387 CarbonylContact C-O 3.13Å; L342-L417 HydrophobicContact CD1-CD2 4.37Å; L342-L417 HydrophobicContact CD2-CD2 4.45Å
343	F	98.4	Very high	92.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.5	-176.4	-62.1	-88.5	0	0	0	110.3	Y310 F313 Y314 L317 H324 A326 V327 L341 R387	Y310-F343 HydrophobicContact CD1-CE1 4.37Å; Y310-F343 HydrophobicContact CD1-CZ 4.32Å; F313-F343 AromaticContact CD1-CE2 3.95Å; F313-F343 HydrophobicContact CD1-CE2 3.95Å; F313-F343 AromaticContact CD1-CZ 3.7Å; F313-F343 HydrophobicContact CD1-CZ 3.7Å; F313-F343 AromaticContact CE1-CE2 3.92Å; F313-F343 HydrophobicContact CE1-CE2 3.92Å; F313-F343 HydrophobicContact CE1-CZ 4.12Å; Y314-F343 HydrophobicContact CD2-CB 3.63Å; Y314-F343 AromaticContact CD2-CD1 3.84Å; Y314-F343 HydrophobicContact CD2-CD1 3.84Å; Y314-F343 HydrophobicContact CD2-CD2 4.24Å; Y314-F343 AromaticContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CE2-CB 3.83Å; Y314-F343 HydrophobicContact CE2-CG 4.36Å; Y314-F343 HydrophobicContact CG-CD1 4.26Å; Y314-F343 HydrophobicContact CG-CG 4.48Å; L317-F343 HydrophobicContact CD2-CE2 4.45Å; H324-F343 HydrophobicContact CB-CB 4.37Å; H324-F343 HydrophobicContact CB-CD1 3.94Å; H324-F343 AromaticContact CD2-CD1 3.54Å; H324-F343 AromaticContact CD2-CE1 3.67Å; H324-F343 AromaticContact CG-CD1 3.71Å; H324-F343 AromaticContact NE2-CE1 3.99Å; A326-F343 WeakPolarHBondContact O-CA 3.45Å; V327-F343 HydrophobicContact CB-CD1 3.81Å; V327-F343 HydrophobicContact CB-CE1 3.86Å; V327-F343 HydrophobicContact CG2-CD1 3.64Å; V327-F343 HydrophobicContact CG2-CE1 3.34Å; V327-F343 HydrophobicContact CG2-CG 4.39Å; V327-F343 HydrophobicContact CG2-CZ 3.86Å; L341-F343 HydrophobicContact CB-CE2 3.74Å; L341-F343 HydrophobicContact CB-CZ 4.21Å; L341-F343 HydrophobicContact CD1-CZ 4.46Å; F343-R387 HydrophobicContact CB-CB 4.37Å; F343-R387 PolarHBondContact N-O 3.27Å; F343-R387 PolarHBondContact O-N 2.98Å
344	V	98.1	Very high	92.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.7	167.3	179.1	0	0	0	0	107.4	L325 A326 F385 I386 L424 F425 F438 F442	L325-V344 HydrophobicContact CB-CB 4.45Å; L325-V344 HydrophobicContact CB-CG1 4.21Å; L325-V344 WeakPolarHBondContact CB-O 3.35Å; L325-V344 HydrophobicContact CD2-CG1 4.13Å; L325-V344 PolarHBondContact N-O 3.36Å; A326-V344 HydrophobicContact CB-CB 4.26Å; A326-V344 HydrophobicContact CB-CG2 4.41Å; A326-V344 PolarHBondContact N-O 3.42Å; A326-V344 PolarHBondContact O-N 3.49Å; V344-F385 HydrophobicContact CG1-CE2 4.3Å; V344-I386 HydrophobicContact CG2-CD1 3.63Å; V344-L424 HydrophobicContact CG2-CD2 3.63Å; V344-F425 HydrophobicContact CG2-CE1 3.9Å; V344-F438 HydrophobicContact CG1-CD2 3.66Å; V344-F438 HydrophobicContact CG1-CE2 3.86Å; V344-F442 HydrophobicContact CG1-CD2 4.46Å; V344-F442 HydrophobicContact CG1-CE2 4.11Å
345	P	97.6	Very high	92.5	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.032	29%	0.293	C	S	.	.			trans	-61.2	154	173.5	-22.4	34.5	0	0	0	111.9	Y314 R347 F385 R387 F442	Y314-P345 WeakPolarHBondContact OH-CA 3.35Å; Y314-P345 WeakPolarHBondContact OH-CB 3.26Å; P345-R347 VanDerWaalsContact C-N 3.32Å; P345-R347 WeakPolarHBondContact CB-O 3.01Å; P345-F385 WeakPolarHBondContact CD-O 3.27Å; P345-F385 WeakPolarHBondContact CG-O 3.31Å; P345-R387 HydrophobicContact CG-CG 4.08Å; P345-F442 HydrophobicContact CB-CZ 4.31Å; P345-F442 VanDerWaalsContact O-CE2 3.31Å; P345-F442 WeakPolarHBondContact O-CE2 3.01Å
346	R	96.8	Very high	92.8	Very high	81 Å²	81	62.9 Å²	62.9	31%	0.306	29%	0.289	S	S	.	.	S	Bend	trans	-71.7	-26.9	172.9	-77.6	179.9	-172.8	-92.1	-6.5	113.7	E322 D323 H324 L325 Q441	E322-R346 WeakPolarHBondContact OE1-CD 3.27Å; D323-R346 WeakPolarHBondContact O-CD 3.27Å; D323-R346 WeakPolarHBondContact O-CG 3.44Å; D323-R346 PolarHBondContact O-NE 2.86Å; H324-R346 PolarHBondContact O-NE 2.74Å; H324-R346 VanDerWaalsContact O-NE 3.16Å; H324-R346 PolarHBondContact O-NH2 2.96Å; L325-R346 HydrophobicContact CB-CG 3.86Å; L325-R346 HydrophobicContact CD1-CG 4.31Å; R346-Q441 WeakPolarHBondContact O-CG 3.4Å
347	R	95.3	Very high	92.8	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	30%	0.298	S	S	.	.	S	Bend	trans	-130.7	143.9	-178.3	-58.5	-177.6	-162.5	-159.5	-2.3	110.1	E322 P345	E322-R347 IonicContact OE2-CZ 3.48Å; E322-R347 IonicContact OE2-NE 3.49Å; E322-R347 PolarHBondContact OE2-NE 2.77Å; E322-R347 IonicContact OE2-NH2 2.68Å; E322-R347 PolarHBondContact OE2-NH2 2.83Å; P345-R347 VanDerWaalsContact C-N 3.32Å; P345-R347 WeakPolarHBondContact CB-O 3.01Å
348	A	94.9	Very high	92.5	Very high	32 Å²	32	66.4 Å²	66.4	26%	0.264	30%	0.302	S	S	.	.			trans	-67.5	135.1	168.7	0	0	0	0	0	109.5	L352 F442	A348-L352 HydrophobicContact CB-CD2 3.98Å; A348-F442 HydrophobicContact CB-CD1 4.37Å; A348-F442 HydrophobicContact CB-CE1 3.84Å; A348-F442 HydrophobicContact CB-CZ 4.39Å
349	P	92.1	Very high	92	Very high	36 Å²	36	68.5 Å²	68.5	23%	0.234	31%	0.31	C	S	.	.			trans	-65.9	145.8	172.5	28	-32.1	0	0	0	109.8	D351 L352	P349-D351 PolarHBondContact O-N 2.89Å; P349-D351 VanDerWaalsContact O-N 3.11Å; P349-L352 HydrophobicContact CG-CB 3.96Å; P349-L352 HydrophobicContact CG-CD1 4.13Å; P349-L352 VanDerWaalsContact O-CB 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.11Å; P349-L352 PolarHBondContact O-N 3.35Å; P349-L352 VanDerWaalsContact O-N 3.08Å
350	F	91.4	Very high	91.6	Very high	198 Å²	198	67 Å²	67	87%	0.868	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.8	-176.6	69.8	-90	0	0	0	113
351	D	90.9	Very high	91.4	Very high	29 Å²	29	67.7 Å²	67.7	16%	0.155	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	18.2	-179	60.2	13.4	0	0	0	113.5	P349 F353 E354 K357	P349-D351 PolarHBondContact O-N 2.89Å; P349-D351 VanDerWaalsContact O-N 3.11Å; D351-F353 PolarHBondContact O-N 2.68Å; D351-F353 VanDerWaalsContact O-N 3.13Å; D351-E354 HydrophobicContact CB-CB 4.34Å; D351-E354 WeakPolarHBondContact O-CB 3.45Å; D351-E354 PolarHBondContact O-N 2.85Å; D351-K357 HydrophobicContact CB-CD 4.4Å; D351-K357 IonicContact OD1-NZ 3.43Å; D351-K357 PolarHBondContact OD1-NZ 3.24Å; D351-K357 WeakPolarHBondContact OD2-CE 3.44Å; D351-K357 IonicContact OD2-NZ 2.78Å; D351-K357 PolarHBondContact OD2-NZ 3.43Å
352	L	90.9	Very high	91.2	Very high	17 Å²	17	67.7 Å²	67.7	9%	0.089	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.8	-174.7	-179	57.6	0	0	0	114.2	A348 P349 F385 F442 N445	A348-L352 HydrophobicContact CB-CD2 3.98Å; P349-L352 HydrophobicContact CG-CB 3.96Å; P349-L352 HydrophobicContact CG-CD1 4.13Å; P349-L352 VanDerWaalsContact O-CB 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.11Å; P349-L352 PolarHBondContact O-N 3.35Å; P349-L352 VanDerWaalsContact O-N 3.08Å; L352-F385 HydrophobicContact CD1-CB 3.81Å; L352-F385 HydrophobicContact CD2-CB 4.48Å; L352-F442 HydrophobicContact CD2-CD1 4.34Å; L352-F442 HydrophobicContact CD2-CE1 4.41Å; L352-N445 WeakPolarHBondContact CD2-OD1 3.36Å
353	F	89.9	Confident	90.9	Very high	108 Å²	108	70.2 Å²	70.2	47%	0.474	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	18.5	-177.1	-60.6	-70.1	0	0	0	113	D351 N355 K444 N445	D351-F353 PolarHBondContact O-N 2.68Å; D351-F353 VanDerWaalsContact O-N 3.13Å; F353-N355 PolarHBondContact O-N 2.88Å; F353-K444 HydrophobicContact CE2-CB 4.38Å; F353-K444 HydrophobicContact CE2-CD 4.16Å; F353-K444 HydrophobicContact CZ-CB 3.8Å; F353-K444 HydrophobicContact CZ-CD 4.4Å; F353-N445 WeakPolarHBondContact CZ-OD1 3.35Å
354	E	90.5	Very high	90.6	Very high	110 Å²	110	70.2 Å²	70.2	51%	0.514	32%	0.324	S	S	.	.			trans	-80.3	97.8	175	-169.6	179.4	170.1	0	0	111.1	D351 K356 K357	D351-E354 HydrophobicContact CB-CB 4.34Å; D351-E354 WeakPolarHBondContact O-CB 3.45Å; D351-E354 PolarHBondContact O-N 2.85Å; E354-K356 PolarHBondContact O-N 2.9Å; E354-K357 HydrophobicContact CB-CB 4.36Å; E354-K357 WeakPolarHBondContact O-CB 3.49Å; E354-K357 PolarHBondContact O-N 3.41Å
355	N	79.4	Confident	90.3	Very high	145 Å²	145	70.3 Å²	70.3	78%	0.775	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	-174.1	-67.6	-16	0	0	0	115.4	F353	F353-N355 PolarHBondContact O-N 2.88Å
356	K	84.4	Confident	90	Very high	199 Å²	199	70.5 Å²	70.5	87%	0.865	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.9	178.8	-67.9	-174.9	-179.6	179.3	0	112.9	E354	E354-K356 PolarHBondContact O-N 2.9Å
357	K	84.1	Confident	89.6	Confident	76 Å²	76	68.5 Å²	68.5	33%	0.33	32%	0.318	S	S	.	.	S	Bend	trans	-71.7	135.1	-176.8	-175	174.2	172	175.3	0	110.3	D351 E354 K359	D351-K357 HydrophobicContact CB-CD 4.4Å; D351-K357 IonicContact OD1-NZ 3.43Å; D351-K357 PolarHBondContact OD1-NZ 3.24Å; D351-K357 WeakPolarHBondContact OD2-CE 3.44Å; D351-K357 IonicContact OD2-NZ 2.78Å; D351-K357 PolarHBondContact OD2-NZ 3.43Å; E354-K357 HydrophobicContact CB-CB 4.36Å; E354-K357 WeakPolarHBondContact O-CB 3.49Å; E354-K357 PolarHBondContact O-N 3.41Å; K357-K359 PolarHBondContact O-N 3.1Å
358	K	83.9	Confident	89.3	Confident	119 Å²	119	64 Å²	64	52%	0.517	30%	0.302	S	S	.	.			trans	-61.6	124.7	171.8	-172.4	-172.9	179.2	-159.1	0	109.4	N360 D373	K358-N360 PolarHBondContact O-N 3.11Å; K358-D373 VanDerWaalsContact CE-OD1 3.28Å; K358-D373 WeakPolarHBondContact CE-OD1 3.42Å; K358-D373 IonicContact NZ-OD1 3.47Å; K358-D373 PolarHBondContact NZ-OD1 3.2Å; K358-D373 IonicContact NZ-OD2 2.86Å; K358-D373 PolarHBondContact NZ-OD2 3.38Å
359	K	85.9	Confident	89	Confident	45 Å²	45	62.7 Å²	62.7	20%	0.196	29%	0.29	C	S	.	.			trans	-81.3	106	177.6	-53.5	-177.6	-161.2	152.8	0	109.3	K357 C375 D376 E381 N384	K357-K359 PolarHBondContact O-N 3.1Å; K359-C375 HydrophobicContact CB-CB 3.91Å; K359-C375 PolarHBondContact O-N 3.1Å; K359-D376 WeakPolarHBondContact CD-OD1 3.46Å; K359-D376 VanDerWaalsContact CE-OD1 3.26Å; K359-D376 WeakPolarHBondContact CE-OD1 3.18Å; K359-D376 IonicContact NZ-OD1 3.85Å; K359-D376 PolarHBondContact NZ-OD1 3.4Å; K359-E381 WeakPolarHBondContact CE-OE2 3.35Å; K359-E381 IonicContact NZ-OE2 2.75Å; K359-E381 PolarHBondContact NZ-OE2 3.05Å; K359-N384 WeakPolarHBondContact CD-ND2 3.47Å
360	N	87.6	Confident	88.9	Confident	69 Å²	69	61.7 Å²	61.7	37%	0.369	28%	0.282	S	S	.	.			trans	-128.5	25.2	-173.8	65.1	-10.6	0	0	0	113.3	K358 D373	K358-N360 PolarHBondContact O-N 3.11Å; N360-D373 WeakPolarHBondContact CA-O 3.49Å; N360-D373 HydrophobicContact CB-CB 3.97Å; N360-D373 WeakPolarHBondContact CB-OD2 3.39Å
361	N	92.2	Very high	88.8	Confident	13 Å²	13	52.8 Å²	52.8	7%	0.07	24%	0.244	C	C	.	.	S	Bend	trans	-77.5	-34.2	-168.9	-64.2	-31.2	0	0	0	113.1	C375 N384 I386 R387 G388	N361-C375 PolarHBondContact N-SG 3.32Å; N361-N384 PolarHBondContact ND2-O 2.99Å; N361-N384 PolarHBondContact ND2-OD1 3.4Å; N361-I386 VanDerWaalsContact CB-O 3.29Å; N361-I386 WeakPolarHBondContact CB-O 3.15Å; N361-R387 PolarHBondContact ND2-NH1 3.08Å; N361-R387 VanDerWaalsContact ND2-NH1 3.17Å; N361-R387 CarbonylContact O-C 3.49Å; N361-R387 VanDerWaalsContact O-CA 3.31Å; N361-R387 WeakPolarHBondContact O-CA 3.41Å; N361-R387 PolarHBondContact OD1-NE 2.93Å; N361-R387 PolarHBondContact OD1-NH1 3.02Å; N361-R387 PolarHBondContact OD1-NH2 3.16Å; N361-R387 VanDerWaalsContact OD1-NH2 3.09Å; N361-G388 PolarHBondContact O-N 2.76Å
362	I	93.6	Very high	88.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.4	174.2	-61.2	-174.4	0	0	0	108.6	L342 C375 I379 I386 G388 V390 L417	L342-I362 HydrophobicContact CD2-CD1 3.88Å; I362-C375 PolarHBondContact N-SG 3.15Å; I362-C375 PolarHBondContact O-SG 3.36Å; I362-I379 HydrophobicContact CD1-CD1 4.04Å; I362-I379 HydrophobicContact CD1-CG1 4.4Å; I362-I379 HydrophobicContact CD1-CG2 3.42Å; I362-I379 VanDerWaalsContact CD1-CG2 3.42Å; I362-I379 HydrophobicContact CG1-CD1 4.26Å; I362-I386 HydrophobicContact CD1-CG2 4.36Å; I362-G388 WeakPolarHBondContact CA-O 3.31Å; I362-V390 HydrophobicContact CG2-CG2 3.74Å; I362-L417 HydrophobicContact CD1-CD1 4.07Å
363	K	91.8	Very high	88	Confident	53 Å²	53	53.1 Å²	53.1	23%	0.23	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.9	178.6	-64.6	179	-173.9	172.4	0	109.6	L317 Y365 F370 D373 G388 V389 V390	L317-K363 HydrophobicContact CD1-CD 4.2Å; K363-Y365 HydrophobicContact CB-CD2 4.21Å; K363-Y365 HydrophobicContact CB-CE2 3.44Å; K363-Y365 VanDerWaalsContact CB-CE2 3.44Å; K363-Y365 HydrophobicContact CD-CE2 4.38Å; K363-F370 HydrophobicContact CB-CD2 4.37Å; K363-F370 HydrophobicContact CB-CE2 4.1Å; K363-F370 HydrophobicContact CD-CE2 4.33Å; K363-F370 HydrophobicContact CG-CE2 4.13Å; K363-D373 HydrophobicContact CG-CB 4.36Å; K363-G388 PolarHBondContact N-O 3.47Å; K363-V389 WeakPolarHBondContact O-CA 3.45Å; K363-V390 PolarHBondContact O-N 3.08Å
364	L	91.8	Very high	87.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.1	175.8	-177.4	65.4	0	0	0	110	I371 M372 L378 V390 L395 L404 L410	L364-I371 PolarHBondContact O-N 3.41Å; L364-M372 HydrophobicContact CB-CG 3.87Å; L364-M372 WeakPolarHBondContact CB-O 3.43Å; L364-M372 HydrophobicContact CD2-CE 4.43Å; L364-M372 HydrophobicContact CD2-CG 3.87Å; L364-M372 HydrophobicContact CD2-SD 4.05Å; L364-M372 HydrophobicContact CG-CG 4.44Å; L364-M372 PolarHBondContact N-O 2.93Å; L364-M372 PolarHBondContact O-N 3.28Å; L364-L378 HydrophobicContact CB-CD1 4.23Å; L364-V390 CarbonylContact C-O 3.53Å; L364-V390 WeakPolarHBondContact CA-O 3.46Å; L364-V390 HydrophobicContact CD1-CB 3.98Å; L364-V390 HydrophobicContact CD1-CG1 3.81Å; L364-L395 HydrophobicContact CD1-CD1 4Å; L364-L395 HydrophobicContact CD2-CD1 4.12Å; L364-L395 HydrophobicContact CG-CD1 4.39Å; L364-L404 HydrophobicContact CD2-CD1 3.7Å; L364-L410 HydrophobicContact CD2-CD2 4.08Å
365	Y	91.9	Very high	86	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.2	174.7	-65.3	-102	0	0	0	109.4	F209 K363 V369 F370 V389 V390 D391 S392	F209-Y365 HydrophobicContact CD2-CD1 4.1Å; F209-Y365 AromaticContact CD2-CE1 3.52Å; F209-Y365 HydrophobicContact CD2-CE1 3.52Å; F209-Y365 HydrophobicContact CD2-CE2 4.47Å; F209-Y365 AromaticContact CD2-CZ 3.74Å; F209-Y365 AromaticContact CE2-CE1 3.91Å; F209-Y365 HydrophobicContact CE2-CE1 3.91Å; F209-Y365 HydrophobicContact CE2-CE2 4.21Å; F209-Y365 AromaticContact CE2-CZ 3.61Å; F209-Y365 WeakPolarHBondContact CE2-OH 3.32Å; K363-Y365 HydrophobicContact CB-CD2 4.21Å; K363-Y365 HydrophobicContact CB-CE2 3.44Å; K363-Y365 VanDerWaalsContact CB-CE2 3.44Å; K363-Y365 HydrophobicContact CD-CE2 4.38Å; Y365-V369 CarbonylContact C-O 3.53Å; Y365-V369 WeakPolarHBondContact CA-O 3.34Å; Y365-V369 VanDerWaalsContact CD1-C 3.48Å; Y365-F370 HydrophobicContact CD1-CB 4.05Å; Y365-F370 HydrophobicContact CE1-CB 3.63Å; Y365-F370 HydrophobicContact CE1-CD2 4.13Å; Y365-F370 HydrophobicContact CE1-CG 4.39Å; Y365-F370 HydrophobicContact CE2-CD2 4.33Å; Y365-F370 AromaticContact CZ-CD2 3.9Å; Y365-V389 HydrophobicContact CD2-CG1 3.5Å; Y365-V389 HydrophobicContact CE2-CG1 3.76Å; Y365-V389 HydrophobicContact CE2-CG2 4.12Å; Y365-V389 HydrophobicContact CG-CG1 4.42Å; Y365-V390 PolarHBondContact N-O 3.11Å; Y365-D391 VanDerWaalsContact C-OD1 3.29Å; Y365-D391 WeakPolarHBondContact CB-OD1 3.49Å; Y365-D391 WeakPolarHBondContact O-CA 3.45Å; Y365-S392 PolarHBondContact O-N 3.21Å
366	V	89.9	Confident	85.8	Confident	10 Å²	10	43.8 Å²	43.8	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.5	168.7	173.7	0	0	0	0	107.5	R368 V369 I371 S392 L395 L397	V366-R368 PolarHBondContact O-N 2.64Å; V366-V369 PolarHBondContact N-O 2.79Å; V366-V369 WeakPolarHBondContact O-CB 3.19Å; V366-V369 PolarHBondContact O-N 2.92Å; V366-I371 HydrophobicContact CB-CD1 4.15Å; V366-I371 HydrophobicContact CB-CG1 3.81Å; V366-I371 HydrophobicContact CG2-CD1 4.46Å; V366-I371 HydrophobicContact CG2-CG1 3.7Å; V366-S392 CarbonylContact C-O 3.5Å; V366-S392 WeakPolarHBondContact CA-O 3.03Å; V366-L395 HydrophobicContact CG2-CB 3.7Å; V366-L395 HydrophobicContact CG2-CD1 3.63Å; V366-L395 HydrophobicContact CG2-CG 3.97Å; V366-L397 HydrophobicContact CB-CD1 4.16Å; V366-L397 HydrophobicContact CG1-CD1 4.03Å; V366-L397 HydrophobicContact CG1-CG 4.48Å; V366-L397 HydrophobicContact CG2-CD1 4.46Å; V366-L397 HydrophobicContact CG2-CD2 4.08Å
367	R	88.3	Confident	85.6	Confident	38 Å²	38	38.2 Å²	38.2	14%	0.143	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	42.9	-174.7	-51.9	-174.1	172.5	-133.8	-14.2	111.2	S125 M126 I127 V369 D391 S392 E393	S125-R367 WeakPolarHBondContact OG-CD 3.47Å; S125-R367 WeakPolarHBondContact OG-CG 2.85Å; S125-R367 PolarHBondContact OG-NE 3.43Å; S125-R367 PolarHBondContact OG-NH1 3.44Å; M126-R367 WeakPolarHBondContact O-CD 3.41Å; M126-R367 PolarHBondContact O-NH1 3.45Å; I127-R367 HydrophobicContact CG1-CB 4.18Å; R367-V369 PolarHBondContact O-N 3.37Å; R367-V369 VanDerWaalsContact O-N 3.16Å; R367-D391 PolarHBondContact N-OD1 3.35Å; R367-S392 PolarHBondContact N-O 2.98Å; R367-E393 WeakPolarHBondContact CG-OE2 3.12Å; R367-E393 VanDerWaalsContact CZ-O 3.31Å; R367-E393 PolarHBondContact NE-O 3.08Å; R367-E393 PolarHBondContact NH2-O 3.34Å
368	R	90.1	Very high	85.8	Confident	45 Å²	45	34.6 Å²	34.6	17%	0.17	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	6.9	-177.1	-51.5	170	-69.4	-80.3	3.2	115.9	F209 W298 V366 D391 E393	F209-R368 HydrophobicContact CB-CB 4.13Å; F209-R368 WeakPolarHBondContact O-CB 3.44Å; F209-R368 WeakPolarHBondContact O-CD 3.43Å; W298-R368 HydrophobicContact CZ2-CG 4.47Å; V366-R368 PolarHBondContact O-N 2.64Å; R368-D391 WeakPolarHBondContact CG-OD2 3.34Å; R368-D391 PolarHBondContact N-OD1 2.87Å; R368-D391 PolarHBondContact N-OD2 3.35Å; R368-E393 IonicContact NH1-OE1 3.51Å
369	V	87.9	Confident	86.2	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.2	173.2	-177.7	0	0	0	0	109.9	R42 I127 I210 Y365 V366 R367 I371	R42-V369 HydrophobicContact CG-CG1 4.04Å; I127-V369 HydrophobicContact CD1-CG2 3.46Å; I127-V369 VanDerWaalsContact CD1-CG2 3.46Å; I127-V369 HydrophobicContact CG1-CG2 4.1Å; I127-V369 HydrophobicContact CG2-CG2 3.98Å; I210-V369 HydrophobicContact CD1-CG2 4.24Å; Y365-V369 CarbonylContact C-O 3.53Å; Y365-V369 WeakPolarHBondContact CA-O 3.34Å; Y365-V369 VanDerWaalsContact CD1-C 3.48Å; V366-V369 PolarHBondContact N-O 2.79Å; V366-V369 WeakPolarHBondContact O-CB 3.19Å; V366-V369 PolarHBondContact O-N 2.92Å; R367-V369 PolarHBondContact O-N 3.37Å; R367-V369 VanDerWaalsContact O-N 3.16Å; V369-I371 PolarHBondContact O-N 2.9Å
370	F	90.4	Very high	86.5	Confident	15 Å²	15	28.3 Å²	28.3	7%	0.066	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.9	178.1	177.5	-103.7	0	0	0	111	K205 H206 K363 Y365 D373	K205-F370 HydrophobicContact CG-CD1 4.34Å; K205-F370 HydrophobicContact CG-CE1 4.39Å; K205-F370 VanDerWaalsContact O-CB 3.29Å; K205-F370 WeakPolarHBondContact O-CB 3.37Å; K205-F370 WeakPolarHBondContact O-CG 3.35Å; H206-F370 AromaticContact ND1-CD1 3.7Å; K363-F370 HydrophobicContact CB-CD2 4.37Å; K363-F370 HydrophobicContact CB-CE2 4.1Å; K363-F370 HydrophobicContact CD-CE2 4.33Å; K363-F370 HydrophobicContact CG-CE2 4.13Å; Y365-F370 HydrophobicContact CD1-CB 4.05Å; Y365-F370 HydrophobicContact CE1-CB 3.63Å; Y365-F370 HydrophobicContact CE1-CD2 4.13Å; Y365-F370 HydrophobicContact CE1-CG 4.39Å; Y365-F370 HydrophobicContact CE2-CD2 4.33Å; Y365-F370 AromaticContact CZ-CD2 3.9Å; F370-D373 HydrophobicContact CE2-CB 4Å; F370-D373 HydrophobicContact CZ-CB 3.81Å
371	I	88.5	Confident	86.8	Confident	10 Å²	10	27.6 Å²	27.6	5%	0.051	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-58.4	178.9	-56.8	-55.5	0	0	0	110.5	L364 V366 V369 L397 R401	L364-I371 PolarHBondContact O-N 3.41Å; V366-I371 HydrophobicContact CB-CD1 4.15Å; V366-I371 HydrophobicContact CB-CG1 3.81Å; V366-I371 HydrophobicContact CG2-CD1 4.46Å; V366-I371 HydrophobicContact CG2-CG1 3.7Å; V369-I371 PolarHBondContact O-N 2.9Å; I371-L397 HydrophobicContact CD1-CD1 3.6Å; I371-L397 HydrophobicContact CD1-CD2 4.06Å; I371-L397 HydrophobicContact CD1-CG 4.5Å; I371-L397 HydrophobicContact CG1-CD1 4.37Å; I371-L397 HydrophobicContact CG1-CD2 4.06Å; I371-L397 HydrophobicContact CG2-CD2 3.8Å; I371-R401 WeakPolarHBondContact CD1-O 3.38Å
372	M	85.4	Confident	86.9	Confident	26 Å²	26	27 Å²	27	13%	0.128	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	153	-176	65.1	179	71.8	0	0	111.8	L364 L404	L364-M372 HydrophobicContact CB-CG 3.87Å; L364-M372 WeakPolarHBondContact CB-O 3.43Å; L364-M372 HydrophobicContact CD2-CE 4.43Å; L364-M372 HydrophobicContact CD2-CG 3.87Å; L364-M372 HydrophobicContact CD2-SD 4.05Å; L364-M372 HydrophobicContact CG-CG 4.44Å; L364-M372 PolarHBondContact N-O 2.93Å; L364-M372 PolarHBondContact O-N 3.28Å; M372-L404 HydrophobicContact CE-CB 4.31Å; M372-L404 HydrophobicContact CE-CD1 3.84Å
373	D	79.6	Confident	87.1	Confident	27 Å²	27	27 Å²	27	14%	0.144	13%	0.132	C	C	.	.			trans	-115.4	0	171.4	60.2	-9.2	0	0	0	111.9	K358 N360 K363 F370 C375	K358-D373 VanDerWaalsContact CE-OD1 3.28Å; K358-D373 WeakPolarHBondContact CE-OD1 3.42Å; K358-D373 IonicContact NZ-OD1 3.47Å; K358-D373 PolarHBondContact NZ-OD1 3.2Å; K358-D373 IonicContact NZ-OD2 2.86Å; K358-D373 PolarHBondContact NZ-OD2 3.38Å; N360-D373 WeakPolarHBondContact CA-O 3.49Å; N360-D373 HydrophobicContact CB-CB 3.97Å; N360-D373 WeakPolarHBondContact CB-OD2 3.39Å; K363-D373 HydrophobicContact CG-CB 4.36Å; F370-D373 HydrophobicContact CE2-CB 4Å; F370-D373 HydrophobicContact CZ-CB 3.81Å; D373-C375 PolarHBondContact O-N 3.43Å; D373-C375 PolarHBondContact O-SG 2.86Å
374	N	74.1	Confident	87.1	Confident	82 Å²	82	25.2 Å²	25.2	44%	0.439	13%	0.125	S	C	.	.			trans	-69.7	100.2	-178.1	-172.1	4	0	0	0	111.2	D376	N374-D376 PolarHBondContact O-N 3.24Å; N374-D376 PolarHBondContact OD1-N 3.18Å; N374-D376 PolarHBondContact OD1-OD2 3.06Å
375	C	64.7	Low	87.3	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.2	-171.1	-67.6	0	0	0	0	115.1	K359 N361 I362 D373 E377 L378 I379	K359-C375 HydrophobicContact CB-CB 3.91Å; K359-C375 PolarHBondContact O-N 3.1Å; N361-C375 PolarHBondContact N-SG 3.32Å; I362-C375 PolarHBondContact N-SG 3.15Å; I362-C375 PolarHBondContact O-SG 3.36Å; D373-C375 PolarHBondContact O-N 3.43Å; D373-C375 PolarHBondContact O-SG 2.86Å; C375-E377 PolarHBondContact O-N 2.93Å; C375-L378 PolarHBondContact O-N 3.3Å; C375-I379 HydrophobicContact CB-CD1 4.2Å; C375-I379 HydrophobicContact CB-CG1 3.87Å; C375-I379 PolarHBondContact O-N 2.68Å
376	D	75.2	Confident	87.5	Confident	84 Å²	84	25.1 Å²	25.1	45%	0.449	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.1	-172.6	-78	-25.7	0	0	0	113	K359 N374	K359-D376 WeakPolarHBondContact CD-OD1 3.46Å; K359-D376 VanDerWaalsContact CE-OD1 3.26Å; K359-D376 WeakPolarHBondContact CE-OD1 3.18Å; K359-D376 IonicContact NZ-OD1 3.85Å; K359-D376 PolarHBondContact NZ-OD1 3.4Å; N374-D376 PolarHBondContact O-N 3.24Å; N374-D376 PolarHBondContact OD1-N 3.18Å; N374-D376 PolarHBondContact OD1-OD2 3.06Å
377	E	81.8	Confident	87.8	Confident	82 Å²	82	26.5 Å²	26.5	38%	0.383	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-20.3	177.7	-63.6	-160.5	173.1	0	0	114	C375 S407 L410 R414	C375-E377 PolarHBondContact O-N 2.93Å; E377-S407 WeakPolarHBondContact OE2-CB 3.31Å; E377-L410 HydrophobicContact CB-CB 4.19Å; E377-L410 HydrophobicContact CB-CD1 4.11Å; E377-L410 WeakPolarHBondContact OE2-CD1 3.33Å; E377-R414 WeakPolarHBondContact O-CD 3.41Å
378	L	87.3	Confident	88.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-34.1	-174	-79	172.2	0	0	0	113.2	L364 C375 L410 I413 R414	L364-L378 HydrophobicContact CB-CD1 4.23Å; C375-L378 PolarHBondContact O-N 3.3Å; L378-L410 HydrophobicContact CD2-CD2 3.66Å; L378-L410 HydrophobicContact CG-CD2 4.19Å; L378-I413 HydrophobicContact CD2-CB 4.21Å; L378-I413 HydrophobicContact CD2-CG2 3.75Å; L378-R414 VanDerWaalsContact O-CA 3.23Å; L378-R414 WeakPolarHBondContact O-CA 3.34Å; L378-R414 WeakPolarHBondContact O-CB 3.46Å; L378-R414 VanDerWaalsContact O-CG 3.25Å; L378-R414 WeakPolarHBondContact O-CG 3.23Å
379	I	91.6	Very high	88.4	Confident	7 Å²	7	22.6 Å²	22.6	4%	0.036	11%	0.114	C	C	.	.	S	Bend	trans	-138.1	147.2	179.1	47.7	166.6	0	0	0	111.6	I362 C375 L417	I362-I379 HydrophobicContact CD1-CD1 4.04Å; I362-I379 HydrophobicContact CD1-CG1 4.4Å; I362-I379 HydrophobicContact CD1-CG2 3.42Å; I362-I379 VanDerWaalsContact CD1-CG2 3.42Å; I362-I379 HydrophobicContact CG1-CD1 4.26Å; C375-I379 HydrophobicContact CB-CD1 4.2Å; C375-I379 HydrophobicContact CB-CG1 3.87Å; C375-I379 PolarHBondContact O-N 2.68Å; I379-L417 HydrophobicContact CG2-CD1 4.02Å
380	P	93.6	Very high	88.8	Confident	26 Å²	26	22.3 Å²	22.3	17%	0.169	11%	0.112	C	C	.	.			trans	-70.7	156.7	172.4	32.2	-35.9	0	0	0	111.2	Y382 L383 V418	P380-Y382 VanDerWaalsContact C-N 3.27Å; P380-Y382 HydrophobicContact CB-CD1 3.65Å; P380-Y382 HydrophobicContact CB-CE1 3.5Å; P380-Y382 VanDerWaalsContact CB-CE1 3.5Å; P380-Y382 HydrophobicContact CG-CD1 3.79Å; P380-Y382 HydrophobicContact CG-CE1 3.33Å; P380-Y382 PolarHBondContact O-N 3.04Å; P380-L383 HydrophobicContact CG-CB 4.18Å; P380-L383 HydrophobicContact CG-CD1 3.82Å; P380-L383 HydrophobicContact CG-CG 3.92Å; P380-L383 PolarHBondContact O-N 3.13Å; P380-V418 HydrophobicContact CG-CG2 3.74Å
381	E	92.4	Very high	89	Confident	53 Å²	53	21.8 Å²	21.8	25%	0.248	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-56.6	-40.9	-175.7	-167.3	58.5	-139.8	0	0	112.7	K359 L383 N384 L448	K359-E381 WeakPolarHBondContact CE-OE2 3.35Å; K359-E381 IonicContact NZ-OE2 2.75Å; K359-E381 PolarHBondContact NZ-OE2 3.05Å; E381-L383 PolarHBondContact O-N 2.94Å; E381-N384 WeakPolarHBondContact O-CB 3.38Å; E381-N384 PolarHBondContact O-N 3.03Å; E381-N384 PolarHBondContact OE1-ND2 3.37Å; E381-L448 HydrophobicContact CG-CD2 4.48Å
382	Y	95.8	Very high	89.1	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.008	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-63.6	-15.5	179.2	77.6	-94.9	0	0	0	113.9	P380 F385 V418 N445 G449 D453 L460	P380-Y382 VanDerWaalsContact C-N 3.27Å; P380-Y382 HydrophobicContact CB-CD1 3.65Å; P380-Y382 HydrophobicContact CB-CE1 3.5Å; P380-Y382 VanDerWaalsContact CB-CE1 3.5Å; P380-Y382 HydrophobicContact CG-CD1 3.79Å; P380-Y382 HydrophobicContact CG-CE1 3.33Å; P380-Y382 PolarHBondContact O-N 3.04Å; Y382-F385 WeakPolarHBondContact O-CE1 3.34Å; Y382-V418 WeakPolarHBondContact OH-CG1 3.41Å; Y382-N445 WeakPolarHBondContact CB-O 3.44Å; Y382-N445 VanDerWaalsContact O-CB 3.31Å; Y382-N445 WeakPolarHBondContact O-CB 3.46Å; Y382-N445 PolarHBondContact O-ND2 2.94Å; Y382-G449 VanDerWaalsContact CG-CA 3.41Å; Y382-D453 HydrophobicContact CD1-CB 4.44Å; Y382-D453 HydrophobicContact CE1-CB 3.69Å; Y382-D453 WeakPolarHBondContact CE1-OD2 3.31Å; Y382-D453 PolarHBondContact OH-OD2 3.33Å; Y382-L460 HydrophobicContact CE2-CD1 4.24Å; Y382-L460 HydrophobicContact CE2-CD2 4.19Å
383	L	96.3	Very high	89.1	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-103.1	10.3	174	-62.5	-178.7	0	0	0	113.3	P380 E381 F385 I386 V418 C421 F425	P380-L383 HydrophobicContact CG-CB 4.18Å; P380-L383 HydrophobicContact CG-CD1 3.82Å; P380-L383 HydrophobicContact CG-CG 3.92Å; P380-L383 PolarHBondContact O-N 3.13Å; E381-L383 PolarHBondContact O-N 2.94Å; L383-F385 HydrophobicContact CD2-CE1 4.28Å; L383-F385 HydrophobicContact CD2-CZ 4.47Å; L383-F385 PolarHBondContact O-N 3.48Å; L383-I386 HydrophobicContact CB-CG1 4.39Å; L383-I386 PolarHBondContact O-N 3.39Å; L383-V418 HydrophobicContact CD1-CB 4.42Å; L383-V418 HydrophobicContact CD1-CG1 4.49Å; L383-V418 HydrophobicContact CD1-CG2 3.94Å; L383-C421 HydrophobicContact CD1-CB 3.95Å; L383-C421 HydrophobicContact CD2-CB 4.47Å; L383-F425 HydrophobicContact CD2-CE2 3.62Å; L383-F425 HydrophobicContact CD2-CZ 3.84Å
384	N	93.3	Very high	89.1	Confident	15 Å²	15	27.4 Å²	27.4	8%	0.08	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	20.5	-176.8	-166	25.3	0	0	0	114.6	K359 N361 E381	K359-N384 WeakPolarHBondContact CD-ND2 3.47Å; N361-N384 PolarHBondContact ND2-O 2.99Å; N361-N384 PolarHBondContact ND2-OD1 3.4Å; E381-N384 WeakPolarHBondContact O-CB 3.38Å; E381-N384 PolarHBondContact O-N 3.03Å; E381-N384 PolarHBondContact OE1-ND2 3.37Å
385	F	95.3	Very high	89.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-20.7	166.9	63.8	-86.6	0	0	0	112.3	V344 P345 L352 Y382 L383 R387 F425 F438 F442 N445	V344-F385 HydrophobicContact CG1-CE2 4.3Å; P345-F385 WeakPolarHBondContact CD-O 3.27Å; P345-F385 WeakPolarHBondContact CG-O 3.31Å; L352-F385 HydrophobicContact CD1-CB 3.81Å; L352-F385 HydrophobicContact CD2-CB 4.48Å; Y382-F385 WeakPolarHBondContact O-CE1 3.34Å; L383-F385 HydrophobicContact CD2-CE1 4.28Å; L383-F385 HydrophobicContact CD2-CZ 4.47Å; L383-F385 PolarHBondContact O-N 3.48Å; F385-R387 PolarHBondContact O-N 3.01Å; F385-R387 PolarHBondContact O-NH1 2.97Å; F385-F425 HydrophobicContact CE2-CE1 4.33Å; F385-F425 HydrophobicContact CE2-CZ 4.18Å; F385-F425 HydrophobicContact CZ-CE1 4.14Å; F385-F425 HydrophobicContact CZ-CE2 4.45Å; F385-F425 AromaticContact CZ-CZ 3.61Å; F385-F425 HydrophobicContact CZ-CZ 3.61Å; F385-F438 AromaticContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CZ-CE2 4.07Å; F385-F438 HydrophobicContact CZ-CZ 4.33Å; F385-F442 HydrophobicContact CB-CD1 3.86Å; F385-F442 HydrophobicContact CB-CE1 3.54Å; F385-F442 HydrophobicContact CB-CZ 4.41Å; F385-F442 AromaticContact CD1-CD1 3.99Å; F385-F442 HydrophobicContact CD1-CD1 3.99Å; F385-F442 HydrophobicContact CD1-CE1 4.5Å; F385-F442 AromaticContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD2 4.29Å; F385-F442 AromaticContact CD2-CE1 3.59Å; F385-F442 HydrophobicContact CD2-CE1 3.59Å; F385-F442 HydrophobicContact CD2-CE2 4.26Å; F385-F442 AromaticContact CD2-CG 3.97Å; F385-F442 HydrophobicContact CD2-CG 3.97Å; F385-F442 AromaticContact CD2-CZ 3.93Å; F385-F442 HydrophobicContact CD2-CZ 3.93Å; F385-F442 HydrophobicContact CE1-CB 4.5Å; F385-F442 HydrophobicContact CE1-CD1 4.43Å; F385-F442 HydrophobicContact CE2-CB 4.46Å; F385-F442 HydrophobicContact CE2-CD1 4.09Å; F385-F442 HydrophobicContact CE2-CD2 4.22Å; F385-F442 HydrophobicContact CE2-CE1 4.41Å; F385-F442 AromaticContact CE2-CG 3.99Å; F385-F442 HydrophobicContact CE2-CG 3.99Å; F385-F442 AromaticContact CG-CD1 3.54Å; F385-F442 HydrophobicContact CG-CD1 3.54Å; F385-F442 AromaticContact CG-CE1 3.63Å; F385-F442 HydrophobicContact CG-CE1 3.63Å; F385-F442 HydrophobicContact CG-CG 4.26Å; F385-F442 HydrophobicContact CG-CZ 4.41Å; F385-F442 HydrophobicContact CZ-CB 4.3Å; F385-F442 HydrophobicContact CZ-CD1 4.46Å; F385-F442 HydrophobicContact CZ-CG 4.3Å; F385-N445 HydrophobicContact CD1-CB 3.93Å; F385-N445 HydrophobicContact CE1-CB 3.71Å
386	I	96.7	Very high	90.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.			trans	-65.4	124.7	179.8	-61.6	-64.5	0	0	0	109.6	L342 V344 N361 I362 L383 F425	L342-I386 HydrophobicContact CB-CG2 3.95Å; L342-I386 HydrophobicContact CD2-CG2 4.08Å; L342-I386 HydrophobicContact CG-CG2 4.46Å; V344-I386 HydrophobicContact CG2-CD1 3.63Å; N361-I386 VanDerWaalsContact CB-O 3.29Å; N361-I386 WeakPolarHBondContact CB-O 3.15Å; I362-I386 HydrophobicContact CD1-CG2 4.36Å; L383-I386 HydrophobicContact CB-CG1 4.39Å; L383-I386 PolarHBondContact O-N 3.39Å; I386-F425 HydrophobicContact CD1-CE1 4.03Å; I386-F425 HydrophobicContact CD1-CZ 3.97Å
387	R	96.4	Very high	90.8	Very high	38 Å²	38	23.1 Å²	23.1	14%	0.143	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	147.3	175	-61.5	-66.1	-174.9	-95.7	14.5	109.1	Y314 T318 L342 F343 P345 N361 F385	Y314-R387 HydrophobicContact CE2-CB 4.27Å; Y314-R387 HydrophobicContact CE2-CG 4.43Å; T318-R387 HydrophobicContact CG2-CB 3.9Å; T318-R387 HydrophobicContact CG2-CG 3.86Å; L342-R387 CarbonylContact C-O 3.13Å; F343-R387 HydrophobicContact CB-CB 4.37Å; F343-R387 PolarHBondContact N-O 3.27Å; F343-R387 PolarHBondContact O-N 2.98Å; P345-R387 HydrophobicContact CG-CG 4.08Å; N361-R387 PolarHBondContact ND2-NH1 3.08Å; N361-R387 VanDerWaalsContact ND2-NH1 3.17Å; N361-R387 CarbonylContact O-C 3.49Å; N361-R387 VanDerWaalsContact O-CA 3.31Å; N361-R387 WeakPolarHBondContact O-CA 3.41Å; N361-R387 PolarHBondContact OD1-NE 2.93Å; N361-R387 PolarHBondContact OD1-NH1 3.02Å; N361-R387 PolarHBondContact OD1-NH2 3.16Å; N361-R387 VanDerWaalsContact OD1-NH2 3.09Å; F385-R387 PolarHBondContact O-N 3.01Å; F385-R387 PolarHBondContact O-NH1 2.97Å
388	G	95.5	Very high	90.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-178.5	178.8	0	0	0	0	0	116.7	L341 N361 I362 K363	L341-G388 CarbonylContact O-C 3.56Å; L341-G388 WeakPolarHBondContact O-CA 3.5Å; N361-G388 PolarHBondContact O-N 2.76Å; I362-G388 WeakPolarHBondContact CA-O 3.31Å; K363-G388 PolarHBondContact N-O 3.47Å
389	V	95.4	Very high	90.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137	176.8	174.4	0	0	0	0	108.3	W298 F313 L317 A340 L341 K363 Y365	W298-V389 HydrophobicContact CD2-CG1 4.32Å; W298-V389 HydrophobicContact CE3-CB 4.4Å; W298-V389 HydrophobicContact CE3-CG1 4Å; W298-V389 HydrophobicContact CH2-CG1 3.77Å; W298-V389 HydrophobicContact CZ2-CG1 4.12Å; W298-V389 HydrophobicContact CZ3-CB 4.24Å; W298-V389 HydrophobicContact CZ3-CG1 3.74Å; W298-V389 HydrophobicContact CZ3-CG2 4.36Å; F313-V389 HydrophobicContact CZ-CG2 4.22Å; L317-V389 HydrophobicContact CD1-CG2 3.8Å; L317-V389 HydrophobicContact CD2-CG2 3.96Å; A340-V389 VanDerWaalsContact CA-O 3.23Å; A340-V389 WeakPolarHBondContact CA-O 3.32Å; L341-V389 PolarHBondContact N-O 3.39Å; L341-V389 PolarHBondContact O-N 2.96Å; K363-V389 WeakPolarHBondContact O-CA 3.45Å; Y365-V389 HydrophobicContact CD2-CG1 3.5Å; Y365-V389 HydrophobicContact CE2-CG1 3.76Å; Y365-V389 HydrophobicContact CE2-CG2 4.12Å; Y365-V389 HydrophobicContact CG-CG1 4.42Å
390	V	95.3	Very high	90.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.7	168.3	179.1	0	0	0	0	106.6	F338 A340 I362 K363 L364 Y365 I413 L417	F338-V390 HydrophobicContact CB-CG1 4.4Å; F338-V390 HydrophobicContact CD2-CG1 3.72Å; F338-V390 HydrophobicContact CE2-CG1 4.29Å; F338-V390 HydrophobicContact CG-CG1 4.26Å; A340-V390 HydrophobicContact CB-CG2 4.09Å; I362-V390 HydrophobicContact CG2-CG2 3.74Å; K363-V390 PolarHBondContact O-N 3.08Å; L364-V390 CarbonylContact C-O 3.53Å; L364-V390 WeakPolarHBondContact CA-O 3.46Å; L364-V390 HydrophobicContact CD1-CB 3.98Å; L364-V390 HydrophobicContact CD1-CG1 3.81Å; Y365-V390 PolarHBondContact N-O 3.11Å; V390-I413 HydrophobicContact CG1-CG2 4.21Å; V390-L417 HydrophobicContact CG2-CD1 4.07Å; V390-L417 HydrophobicContact CG2-CD2 3.93Å
391	D	94.2	Very high	89.5	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.1	177.5	-169.7	25.7	0	0	0	110	W298 F338 R339 Y365 R367 R368	W298-D391 HydrophobicContact CZ2-CB 4.13Å; W298-D391 PolarHBondContact NE1-OD2 2.93Å; F338-D391 CarbonylContact C-O 3.58Å; F338-D391 VanDerWaalsContact CA-O 3.25Å; F338-D391 WeakPolarHBondContact CA-O 3.37Å; F338-D391 VanDerWaalsContact CB-O 3.28Å; F338-D391 WeakPolarHBondContact CB-O 3.49Å; R339-D391 PolarHBondContact N-O 3.3Å; R339-D391 PolarHBondContact O-N 2.93Å; Y365-D391 VanDerWaalsContact C-OD1 3.29Å; Y365-D391 WeakPolarHBondContact CB-OD1 3.49Å; Y365-D391 WeakPolarHBondContact O-CA 3.45Å; R367-D391 PolarHBondContact N-OD1 3.35Å; R368-D391 WeakPolarHBondContact CG-OD2 3.34Å; R368-D391 PolarHBondContact N-OD1 2.87Å; R368-D391 PolarHBondContact N-OD2 3.35Å
392	S	91.3	Very high	89	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.6	-177.6	-178.8	0	0	0	0	110.6	E337 Y365 V366 R367 L395	E337-S392 WeakPolarHBondContact O-CB 3.1Å; E337-S392 PolarHBondContact O-OG 3.35Å; Y365-S392 PolarHBondContact O-N 3.21Å; V366-S392 CarbonylContact C-O 3.5Å; V366-S392 WeakPolarHBondContact CA-O 3.03Å; R367-S392 PolarHBondContact N-O 2.98Å; S392-L395 WeakPolarHBondContact OG-CG 3.2Å
393	E	85	Confident	88.2	Confident	58 Å²	58	29 Å²	29	27%	0.271	15%	0.148	S	C	.	.	S	Bend	trans	-90.7	-17.7	-177.1	-62.2	-65.2	160.3	0	0	112.6	S125 R367 R368	S125-E393 VanDerWaalsContact CB-OE2 3.24Å; S125-E393 WeakPolarHBondContact CB-OE2 3.39Å; S125-E393 PolarHBondContact OG-OE2 3.4Å; R367-E393 WeakPolarHBondContact CG-OE2 3.12Å; R367-E393 VanDerWaalsContact CZ-O 3.31Å; R367-E393 PolarHBondContact NE-O 3.08Å; R367-E393 PolarHBondContact NH2-O 3.34Å; R368-E393 IonicContact NH1-OE1 3.51Å
394	D	80.4	Confident	87.4	Confident	121 Å²	121	30 Å²	30	65%	0.647	15%	0.153	S	C	*	.			trans	-137.3	47.3	-166	-164.2	23.3	0	0	0	113.7
395	L	84.7	Confident	86.5	Confident	12 Å²	12	35.2 Å²	35.2	6%	0.063	18%	0.177	C	C	.	.			trans	-91.8	132.2	172.7	-65.9	-175	0	0	0	111.9	L336 L364 V366 S392 L397 L404 I409	L336-L395 HydrophobicContact CD1-CD2 3.54Å; L364-L395 HydrophobicContact CD1-CD1 4Å; L364-L395 HydrophobicContact CD2-CD1 4.12Å; L364-L395 HydrophobicContact CG-CD1 4.39Å; V366-L395 HydrophobicContact CG2-CB 3.7Å; V366-L395 HydrophobicContact CG2-CD1 3.63Å; V366-L395 HydrophobicContact CG2-CG 3.97Å; S392-L395 WeakPolarHBondContact OG-CG 3.2Å; L395-L397 PolarHBondContact O-N 3.38Å; L395-L404 HydrophobicContact CB-CD1 4.44Å; L395-L404 HydrophobicContact CB-CD2 4.44Å; L395-L404 HydrophobicContact CD1-CD1 4.04Å; L395-L404 HydrophobicContact CD1-CD2 4.19Å; L395-L404 HydrophobicContact CD2-CD2 4.2Å; L395-I409 HydrophobicContact CD2-CG2 3.65Å
396	P	82.8	Confident	85.6	Confident	44 Å²	44	40.4 Å²	40.4	29%	0.286	20%	0.201	S	C	.	.			trans	-73.8	97.1	174.5	29.8	-33.5	0	0	0	110.3	Q405 I409	P396-Q405 PolarHBondContact O-N 2.9Å; P396-Q405 VanDerWaalsContact O-N 3.07Å; P396-I409 HydrophobicContact CG-CD1 3.55Å
397	L	82.9	Confident	84.5	Confident	21 Å²	21	43.2 Å²	43.2	11%	0.11	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-80.7	149.2	177.7	-63.9	180	0	0	0	112.1	V366 I371 L395 R401 L404 Q405	V366-L397 HydrophobicContact CB-CD1 4.16Å; V366-L397 HydrophobicContact CG1-CD1 4.03Å; V366-L397 HydrophobicContact CG1-CG 4.48Å; V366-L397 HydrophobicContact CG2-CD1 4.46Å; V366-L397 HydrophobicContact CG2-CD2 4.08Å; I371-L397 HydrophobicContact CD1-CD1 3.6Å; I371-L397 HydrophobicContact CD1-CD2 4.06Å; I371-L397 HydrophobicContact CD1-CG 4.5Å; I371-L397 HydrophobicContact CG1-CD1 4.37Å; I371-L397 HydrophobicContact CG1-CD2 4.06Å; I371-L397 HydrophobicContact CG2-CD2 3.8Å; L395-L397 PolarHBondContact O-N 3.38Å; L397-R401 HydrophobicContact CD1-CB 4.23Å; L397-R401 HydrophobicContact CD1-CG 4.2Å; L397-L404 HydrophobicContact CD2-CD1 3.96Å; L397-Q405 PolarHBondContact O-NE2 3.07Å
398	N	82.6	Confident	83.9	Confident	36 Å²	36	49.2 Å²	49.2	19%	0.193	25%	0.248	C	C	.	.			trans	-70	171.9	167.8	75.9	-17.5	0	0	0	111.1	S400 R401 E402 M403 Q405	N398-S400 PolarHBondContact ND2-OG 2.66Å; N398-S400 PolarHBondContact O-N 3.31Å; N398-S400 PolarHBondContact OD1-OG 3.24Å; N398-R401 PolarHBondContact O-N 2.87Å; N398-R401 WeakPolarHBondContact OD1-CA 3.46Å; N398-R401 PolarHBondContact OD1-N 3.44Å; N398-E402 PolarHBondContact OD1-N 3.48Å; N398-E402 VanDerWaalsContact OD1-N 3.14Å; N398-M403 WeakPolarHBondContact CB-O 3.42Å; N398-M403 PolarHBondContact N-O 3Å; N398-M403 PolarHBondContact OD1-N 3.49Å; N398-M403 PolarHBondContact OD1-O 2.94Å; N398-Q405 HydrophobicContact CB-CG 4.16Å
399	I	81	Confident	83.5	Confident	69 Å²	69	50.5 Å²	50.5	35%	0.354	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-31.2	-177.7	-163	154.7	0	0	0	113.2	F33 V132 R401	F33-I399 HydrophobicContact CD2-CD1 3.77Å; F33-I399 HydrophobicContact CD2-CG1 4.01Å; F33-I399 HydrophobicContact CD2-CG2 4.35Å; F33-I399 HydrophobicContact CE2-CD1 3.36Å; F33-I399 HydrophobicContact CE2-CG1 4.13Å; F33-I399 HydrophobicContact CG-CG2 4.44Å; F33-I399 HydrophobicContact CZ-CD1 4.09Å; V132-I399 HydrophobicContact CG2-CG1 4.22Å; I399-R401 VanDerWaalsContact C-N 3.3Å
400	S	80.4	Confident	83.1	Confident	9 Å²	9	51 Å²	51	6%	0.063	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.6	177.5	76.8	0	0	0	0	113.6	F33 R42 N398 E402	F33-S400 VanDerWaalsContact O-CB 3.25Å; F33-S400 WeakPolarHBondContact O-CB 3.32Å; R42-S400 PolarHBondContact NH2-O 2.92Å; N398-S400 PolarHBondContact ND2-OG 2.66Å; N398-S400 PolarHBondContact O-N 3.31Å; N398-S400 PolarHBondContact OD1-OG 3.24Å; S400-E402 PolarHBondContact O-N 2.98Å; S400-E402 WeakPolarHBondContact OG-CB 3.31Å; S400-E402 PolarHBondContact OG-N 2.95Å
401	R	81.8	Confident	82.8	Confident	13 Å²	13	56.1 Å²	56.1	5%	0.049	28%	0.28	C	S	.	.	S	Bend	trans	56.2	26.4	-171.9	-56.3	175.8	169.8	-168.9	-4.1	114.1	E43 I127 F130 I371 L397 N398 I399	E43-R401 IonicContact OE2-NH1 3.58Å; I127-R401 VanDerWaalsContact CG2-NH1 3.31Å; I127-R401 PolarHBondContact O-NH2 3.37Å; F130-R401 HydrophobicContact CE2-CG 4.12Å; I371-R401 WeakPolarHBondContact CD1-O 3.38Å; L397-R401 HydrophobicContact CD1-CB 4.23Å; L397-R401 HydrophobicContact CD1-CG 4.2Å; N398-R401 PolarHBondContact O-N 2.87Å; N398-R401 WeakPolarHBondContact OD1-CA 3.46Å; N398-R401 PolarHBondContact OD1-N 3.44Å; I399-R401 VanDerWaalsContact C-N 3.3Å
402	E	81.3	Confident	82.7	Confident	40 Å²	40	59.4 Å²	59.4	19%	0.187	30%	0.299	C	S	.	.	S	Bend	trans	-106.4	-17.8	176.7	-60.9	-178	145.8	0	0	111.9	S35 I39 N398 S400	S35-E402 PolarHBondContact OG-OE2 3.44Å; I39-E402 WeakPolarHBondContact CG2-OE1 3.32Å; N398-E402 PolarHBondContact OD1-N 3.48Å; N398-E402 VanDerWaalsContact OD1-N 3.14Å; S400-E402 PolarHBondContact O-N 2.98Å; S400-E402 WeakPolarHBondContact OG-CB 3.31Å; S400-E402 PolarHBondContact OG-N 2.95Å
403	M	78.8	Confident	82.8	Confident	126 Å²	126	59.3 Å²	59.3	62%	0.621	30%	0.299	S	S	*	.	S	Bend	trans	-136.1	149.3	-179.2	-62.6	-174.9	173.6	0	0	111.7	N398	N398-M403 WeakPolarHBondContact CB-O 3.42Å; N398-M403 PolarHBondContact N-O 3Å; N398-M403 PolarHBondContact OD1-N 3.49Å; N398-M403 PolarHBondContact OD1-O 2.94Å
404	L	79.8	Confident	83.2	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.11	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-77.4	140.6	168.5	-105	80.7	0	0	0	110	L364 M372 L395 L397 Q406 I409 L410	L364-L404 HydrophobicContact CD2-CD1 3.7Å; M372-L404 HydrophobicContact CE-CB 4.31Å; M372-L404 HydrophobicContact CE-CD1 3.84Å; L395-L404 HydrophobicContact CB-CD1 4.44Å; L395-L404 HydrophobicContact CB-CD2 4.44Å; L395-L404 HydrophobicContact CD1-CD1 4.04Å; L395-L404 HydrophobicContact CD1-CD2 4.19Å; L395-L404 HydrophobicContact CD2-CD2 4.2Å; L397-L404 HydrophobicContact CD2-CD1 3.96Å; L404-Q406 VanDerWaalsContact C-N 3.33Å; L404-Q406 PolarHBondContact O-N 3.31Å; L404-I409 HydrophobicContact CD2-CB 4.19Å; L404-I409 HydrophobicContact CD2-CG2 4.21Å; L404-L410 HydrophobicContact CD2-CD2 4.15Å; L404-L410 HydrophobicContact CD2-CG 4.31Å
405	Q	75.4	Confident	83.8	Confident	125 Å²	125	61.7 Å²	61.7	58%	0.584	30%	0.3	S	S	*	.	S	Bend	trans	-71	-28.4	176.8	-62	-175.6	2	0	0	112.8	P396 L397 N398	P396-Q405 PolarHBondContact O-N 2.9Å; P396-Q405 VanDerWaalsContact O-N 3.07Å; L397-Q405 PolarHBondContact O-NE2 3.07Å; N398-Q405 HydrophobicContact CB-CG 4.16Å
406	Q	75.2	Confident	84.3	Confident	109 Å²	109	63.2 Å²	63.2	51%	0.509	31%	0.308	S	S	.	.			trans	-123.4	103.9	-174.2	-63.4	-171.9	0.7	0	0	112.5	L404 K408 I409	L404-Q406 VanDerWaalsContact C-N 3.33Å; L404-Q406 PolarHBondContact O-N 3.31Å; Q406-K408 PolarHBondContact O-N 2.99Å; Q406-K408 VanDerWaalsContact O-N 3.14Å; Q406-I409 HydrophobicContact CB-CD1 4.14Å; Q406-I409 HydrophobicContact CB-CG1 4.34Å; Q406-I409 PolarHBondContact O-N 2.73Å
407	S	74.2	Confident	85	Confident	59 Å²	59	61.1 Å²	61.1	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-18.8	177.4	61.1	0	0	0	0	114.5	E377 I409 L410 K411	E377-S407 WeakPolarHBondContact OE2-CB 3.31Å; S407-I409 PolarHBondContact O-N 2.97Å; S407-L410 PolarHBondContact O-N 3.35Å; S407-K411 PolarHBondContact O-N 2.84Å
408	K	84.7	Confident	85.7	Confident	163 Å²	163	60.6 Å²	60.6	71%	0.709	29%	0.292	S	S	*	.	H	α-helix	trans	-61.2	-32.8	176.3	-69.3	-178	-178	175.1	0	112.4	Q406 K411 V412	Q406-K408 PolarHBondContact O-N 2.99Å; Q406-K408 VanDerWaalsContact O-N 3.14Å; K408-K411 PolarHBondContact O-N 3.18Å; K408-V412 PolarHBondContact O-N 3Å
409	I	86.8	Confident	86.3	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.138	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-43.4	179.2	-63.9	173.1	0	0	0	110.3	L336 L395 P396 L404 Q406 S407 K411 V412 I413	L336-I409 HydrophobicContact CD1-CG2 3.69Å; L336-I409 HydrophobicContact CD2-CG2 3.76Å; L336-I409 HydrophobicContact CG-CG2 4.39Å; L395-I409 HydrophobicContact CD2-CG2 3.65Å; P396-I409 HydrophobicContact CG-CD1 3.55Å; L404-I409 HydrophobicContact CD2-CB 4.19Å; L404-I409 HydrophobicContact CD2-CG2 4.21Å; Q406-I409 HydrophobicContact CB-CD1 4.14Å; Q406-I409 HydrophobicContact CB-CG1 4.34Å; Q406-I409 PolarHBondContact O-N 2.73Å; S407-I409 PolarHBondContact O-N 2.97Å; I409-K411 PolarHBondContact O-N 3.26Å; I409-V412 WeakPolarHBondContact O-CA 3.43Å; I409-V412 WeakPolarHBondContact O-CB 3.29Å; I409-V412 PolarHBondContact O-N 2.94Å; I409-I413 HydrophobicContact CG2-CD1 4.1Å; I409-I413 HydrophobicContact CG2-CG1 4.43Å; I409-I413 PolarHBondContact O-N 3.16Å
410	L	87.3	Confident	87.2	Confident	12 Å²	12	63.1 Å²	63.1	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-37.1	177.3	-62.4	176.5	0	0	0	111.9	L364 E377 L378 L404 S407 V412 I413 R414	L364-L410 HydrophobicContact CD2-CD2 4.08Å; E377-L410 HydrophobicContact CB-CB 4.19Å; E377-L410 HydrophobicContact CB-CD1 4.11Å; E377-L410 WeakPolarHBondContact OE2-CD1 3.33Å; L378-L410 HydrophobicContact CD2-CD2 3.66Å; L378-L410 HydrophobicContact CG-CD2 4.19Å; L404-L410 HydrophobicContact CD2-CD2 4.15Å; L404-L410 HydrophobicContact CD2-CG 4.31Å; S407-L410 PolarHBondContact O-N 3.35Å; L410-V412 VanDerWaalsContact C-N 3.33Å; L410-V412 PolarHBondContact O-N 2.92Å; L410-I413 PolarHBondContact O-N 3.3Å; L410-R414 WeakPolarHBondContact O-CB 3.34Å; L410-R414 PolarHBondContact O-N 2.95Å
411	K	89	Confident	88	Confident	108 Å²	108	62.7 Å²	62.7	47%	0.47	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-33.7	174.8	-64.8	-179.6	-177.7	177.2	0	113.2	S407 K408 I409 K415	S407-K411 PolarHBondContact O-N 2.84Å; K408-K411 PolarHBondContact O-N 3.18Å; I409-K411 PolarHBondContact O-N 3.26Å; K411-K415 WeakPolarHBondContact O-CG 3.48Å; K411-K415 PolarHBondContact O-N 2.93Å
412	V	91.3	Very high	88.8	Confident	72 Å²	72	62.1 Å²	62.1	44%	0.436	29%	0.294	S	S	.	.	H	α-helix	trans	-71.6	-46.3	176	177.4	0	0	0	0	110	L336 K408 I409 L410 R414 K415 N416	L336-V412 HydrophobicContact CD2-CB 4.39Å; L336-V412 HydrophobicContact CD2-CG1 4.17Å; K408-V412 PolarHBondContact O-N 3Å; I409-V412 WeakPolarHBondContact O-CA 3.43Å; I409-V412 WeakPolarHBondContact O-CB 3.29Å; I409-V412 PolarHBondContact O-N 2.94Å; L410-V412 VanDerWaalsContact C-N 3.33Å; L410-V412 PolarHBondContact O-N 2.92Å; V412-R414 VanDerWaalsContact C-N 3.33Å; V412-R414 PolarHBondContact O-N 3.31Å; V412-K415 PolarHBondContact O-N 3.41Å; V412-N416 PolarHBondContact O-N 3.02Å; V412-N416 PolarHBondContact O-ND2 3.29Å
413	I	92.6	Very high	89.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-54.4	-52.3	173.3	-63.7	175.4	0	0	0	109.2	L336 F338 L378 V390 I409 L410 K415 N416 L417	L336-I413 HydrophobicContact CD2-CD1 4.21Å; L336-I413 HydrophobicContact CD2-CG1 3.55Å; F338-I413 HydrophobicContact CD1-CG1 4.41Å; F338-I413 HydrophobicContact CE1-CG1 4.18Å; F338-I413 HydrophobicContact CE2-CG2 4.48Å; F338-I413 HydrophobicContact CZ-CG2 4.3Å; L378-I413 HydrophobicContact CD2-CB 4.21Å; L378-I413 HydrophobicContact CD2-CG2 3.75Å; V390-I413 HydrophobicContact CG1-CG2 4.21Å; I409-I413 HydrophobicContact CG2-CD1 4.1Å; I409-I413 HydrophobicContact CG2-CG1 4.43Å; I409-I413 PolarHBondContact O-N 3.16Å; L410-I413 PolarHBondContact O-N 3.3Å; I413-K415 VanDerWaalsContact C-N 3.32Å; I413-K415 PolarHBondContact O-N 3.16Å; I413-N416 WeakPolarHBondContact O-CA 3.31Å; I413-N416 WeakPolarHBondContact O-CB 3.49Å; I413-N416 PolarHBondContact O-N 3.18Å; I413-L417 HydrophobicContact CG2-CD1 3.97Å; I413-L417 HydrophobicContact CG2-CD2 4.26Å; I413-L417 HydrophobicContact CG2-CG 3.89Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 2.83Å
414	R	93.9	Very high	90.5	Very high	88 Å²	88	57 Å²	57	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-51.4	-46.9	178.2	-179	175.2	73.3	-174.1	10.8	113	E377 L378 L410 V412 N416 L417 V418	E377-R414 WeakPolarHBondContact O-CD 3.41Å; L378-R414 VanDerWaalsContact O-CA 3.23Å; L378-R414 WeakPolarHBondContact O-CA 3.34Å; L378-R414 WeakPolarHBondContact O-CB 3.46Å; L378-R414 VanDerWaalsContact O-CG 3.25Å; L378-R414 WeakPolarHBondContact O-CG 3.23Å; L410-R414 WeakPolarHBondContact O-CB 3.34Å; L410-R414 PolarHBondContact O-N 2.95Å; V412-R414 VanDerWaalsContact C-N 3.33Å; V412-R414 PolarHBondContact O-N 3.31Å; R414-N416 VanDerWaalsContact C-N 3.3Å; R414-N416 PolarHBondContact O-N 3.49Å; R414-L417 PolarHBondContact O-N 3.38Å; R414-V418 HydrophobicContact CG-CG2 4.23Å; R414-V418 WeakPolarHBondContact O-CB 3.45Å; R414-V418 VanDerWaalsContact O-CG2 3.23Å; R414-V418 WeakPolarHBondContact O-CG2 3.44Å; R414-V418 PolarHBondContact O-N 2.83Å
415	K	94	Very high	91.3	Very high	142 Å²	142	56 Å²	56	62%	0.617	26%	0.263	S	S	*	.	H	α-helix	trans	-59.6	-41.6	178.6	-77.4	-179.6	176.7	-175.4	0	112	K411 V412 I413 K419	K411-K415 WeakPolarHBondContact O-CG 3.48Å; K411-K415 PolarHBondContact O-N 2.93Å; V412-K415 PolarHBondContact O-N 3.41Å; I413-K415 VanDerWaalsContact C-N 3.32Å; I413-K415 PolarHBondContact O-N 3.16Å; K415-K419 WeakPolarHBondContact O-CB 3.41Å; K415-K419 PolarHBondContact O-N 3.13Å
416	N	95.4	Very high	92.4	Very high	44 Å²	44	52.9 Å²	52.9	24%	0.235	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-43.6	177.5	-74	-37.9	0	0	0	112	V332 F338 V412 I413 R414 V418 K419 K420	V332-N416 HydrophobicContact CG2-CB 4.28Å; F338-N416 HydrophobicContact CZ-CB 3.87Å; V412-N416 PolarHBondContact O-N 3.02Å; V412-N416 PolarHBondContact O-ND2 3.29Å; I413-N416 WeakPolarHBondContact O-CA 3.31Å; I413-N416 WeakPolarHBondContact O-CB 3.49Å; I413-N416 PolarHBondContact O-N 3.18Å; R414-N416 VanDerWaalsContact C-N 3.3Å; R414-N416 PolarHBondContact O-N 3.49Å; N416-V418 PolarHBondContact O-N 3.26Å; N416-K419 PolarHBondContact O-N 2.9Å; N416-K420 WeakPolarHBondContact O-CG 3.41Å; N416-K420 PolarHBondContact O-N 2.84Å
417	L	96.2	Very high	93.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-49.8	175.3	-61	-169.8	0	0	0	110.8	F330 F338 A340 L342 I362 I379 V390 I413 R414 K419 K420 C421	F330-L417 HydrophobicContact CE2-CD2 4.42Å; F330-L417 HydrophobicContact CZ-CD2 3.65Å; F338-L417 HydrophobicContact CE2-CD2 4.17Å; A340-L417 HydrophobicContact CB-CD2 4.31Å; L342-L417 HydrophobicContact CD1-CD2 4.37Å; L342-L417 HydrophobicContact CD2-CD2 4.45Å; I362-L417 HydrophobicContact CD1-CD1 4.07Å; I379-L417 HydrophobicContact CG2-CD1 4.02Å; V390-L417 HydrophobicContact CG2-CD1 4.07Å; V390-L417 HydrophobicContact CG2-CD2 3.93Å; I413-L417 HydrophobicContact CG2-CD1 3.97Å; I413-L417 HydrophobicContact CG2-CD2 4.26Å; I413-L417 HydrophobicContact CG2-CG 3.89Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 2.83Å; R414-L417 PolarHBondContact O-N 3.38Å; L417-K419 VanDerWaalsContact C-N 3.35Å; L417-K419 PolarHBondContact O-N 3.3Å; L417-K420 PolarHBondContact O-N 3.36Å; L417-K420 VanDerWaalsContact O-N 3.16Å; L417-C421 PolarHBondContact O-N 2.99Å; L417-C421 PolarHBondContact O-SG 3.06Å
418	V	97.3	Very high	94.4	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-47	178.3	171.7	0	0	0	0	110.9	P380 Y382 L383 R414 N416 K420 C421 L422 N456	P380-V418 HydrophobicContact CG-CG2 3.74Å; Y382-V418 WeakPolarHBondContact OH-CG1 3.41Å; L383-V418 HydrophobicContact CD1-CB 4.42Å; L383-V418 HydrophobicContact CD1-CG1 4.49Å; L383-V418 HydrophobicContact CD1-CG2 3.94Å; R414-V418 HydrophobicContact CG-CG2 4.23Å; R414-V418 WeakPolarHBondContact O-CB 3.45Å; R414-V418 VanDerWaalsContact O-CG2 3.23Å; R414-V418 WeakPolarHBondContact O-CG2 3.44Å; R414-V418 PolarHBondContact O-N 2.83Å; N416-V418 PolarHBondContact O-N 3.26Å; V418-K420 VanDerWaalsContact C-N 3.3Å; V418-K420 PolarHBondContact O-N 3.16Å; V418-C421 PolarHBondContact O-N 3.41Å; V418-L422 HydrophobicContact CG1-CD1 4.11Å; V418-L422 HydrophobicContact CG1-CG 4.47Å; V418-L422 WeakPolarHBondContact O-CG 3.48Å; V418-L422 PolarHBondContact O-N 3.49Å; V418-N456 WeakPolarHBondContact CG1-ND2 3.48Å
419	K	97.1	Very high	94.9	Very high	106 Å²	106	43.7 Å²	43.7	46%	0.461	21%	0.21	S	C	.	.	H	α-helix	trans	-56.4	-46	177.5	-176.3	-175	175.6	-171.2	0	111.3	K415 N416 L417 L422 E423	K415-K419 WeakPolarHBondContact O-CB 3.41Å; K415-K419 PolarHBondContact O-N 3.13Å; N416-K419 PolarHBondContact O-N 2.9Å; L417-K419 VanDerWaalsContact C-N 3.35Å; L417-K419 PolarHBondContact O-N 3.3Å; K419-L422 PolarHBondContact O-N 2.89Å; K419-E423 WeakPolarHBondContact CE-OE1 3.39Å; K419-E423 WeakPolarHBondContact O-CG 3.2Å; K419-E423 PolarHBondContact O-N 2.8Å
420	K	97.9	Very high	95.3	Very high	53 Å²	53	50.1 Å²	50.1	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-71.6	-33.5	-179.3	-68.6	-63.7	-178.1	-171.6	0	113.6	F330 N416 L417 V418 E423 L424	F330-K420 HydrophobicContact CB-CD 4.34Å; F330-K420 HydrophobicContact CD1-CB 3.96Å; F330-K420 HydrophobicContact CD1-CD 4.33Å; F330-K420 HydrophobicContact CD1-CG 3.85Å; F330-K420 HydrophobicContact CD2-CD 4.31Å; F330-K420 HydrophobicContact CD2-CG 3.74Å; F330-K420 HydrophobicContact CE1-CB 3.65Å; F330-K420 HydrophobicContact CE1-CG 3.83Å; F330-K420 HydrophobicContact CE2-CB 4.35Å; F330-K420 HydrophobicContact CE2-CG 3.72Å; F330-K420 HydrophobicContact CG-CB 4.42Å; F330-K420 HydrophobicContact CG-CD 4.08Å; F330-K420 HydrophobicContact CG-CG 3.79Å; F330-K420 HydrophobicContact CZ-CB 3.84Å; F330-K420 HydrophobicContact CZ-CG 3.74Å; N416-K420 WeakPolarHBondContact O-CG 3.41Å; N416-K420 PolarHBondContact O-N 2.84Å; L417-K420 PolarHBondContact O-N 3.36Å; L417-K420 VanDerWaalsContact O-N 3.16Å; V418-K420 VanDerWaalsContact C-N 3.3Å; V418-K420 PolarHBondContact O-N 3.16Å; K420-E423 VanDerWaalsContact CD-OE2 3.23Å; K420-E423 WeakPolarHBondContact CD-OE2 3.29Å; K420-E423 IonicContact NZ-OE2 3.82Å; K420-E423 PolarHBondContact NZ-OE2 2.78Å; K420-E423 PolarHBondContact O-N 3.36Å; K420-L424 WeakPolarHBondContact O-CB 3Å; K420-L424 PolarHBondContact O-N 2.97Å
421	C	98.1	Very high	95.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-44.7	169.7	-70.2	0	0	0	0	111.7	L383 L417 V418 L424 F425	L383-C421 HydrophobicContact CD1-CB 3.95Å; L383-C421 HydrophobicContact CD2-CB 4.47Å; L417-C421 PolarHBondContact O-N 2.99Å; L417-C421 PolarHBondContact O-SG 3.06Å; V418-C421 PolarHBondContact O-N 3.41Å; C421-L424 WeakPolarHBondContact O-CB 3.31Å; C421-L424 PolarHBondContact O-N 3.3Å; C421-F425 HydrophobicContact CB-CE2 4.23Å; C421-F425 HydrophobicContact CB-CZ 4.19Å; C421-F425 WeakPolarHBondContact O-CD1 3.06Å; C421-F425 WeakPolarHBondContact O-CD2 3.48Å; C421-F425 WeakPolarHBondContact O-CG 3.29Å; C421-F425 PolarHBondContact O-N 3.11Å
422	L	97.9	Very high	95.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-36.9	179.4	-63.9	176.1	0	0	0	112.3	V418 K419 F425 T426 N456 K459 L460	V418-L422 HydrophobicContact CG1-CD1 4.11Å; V418-L422 HydrophobicContact CG1-CG 4.47Å; V418-L422 WeakPolarHBondContact O-CG 3.48Å; V418-L422 PolarHBondContact O-N 3.49Å; K419-L422 PolarHBondContact O-N 2.89Å; L422-F425 HydrophobicContact CD2-CD2 4.12Å; L422-F425 HydrophobicContact CD2-CE2 4.48Å; L422-F425 PolarHBondContact O-N 3.37Å; L422-T426 PolarHBondContact O-N 3.35Å; L422-T426 PolarHBondContact O-OG1 2.84Å; L422-N456 HydrophobicContact CD1-CB 3.67Å; L422-K459 HydrophobicContact CD1-CB 4.41Å; L422-K459 HydrophobicContact CD1-CD 4.22Å; L422-L460 HydrophobicContact CD2-CD2 3.51Å; L422-L460 HydrophobicContact CD2-CG 4.07Å
423	E	97.9	Very high	96	Very high	50 Å²	50	56.1 Å²	56.1	23%	0.234	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-48.1	169.8	-74.4	171.4	-160.8	0	0	110.6	K419 K420 F425 T426 E427	K419-E423 WeakPolarHBondContact CE-OE1 3.39Å; K419-E423 WeakPolarHBondContact O-CG 3.2Å; K419-E423 PolarHBondContact O-N 2.8Å; K420-E423 VanDerWaalsContact CD-OE2 3.23Å; K420-E423 WeakPolarHBondContact CD-OE2 3.29Å; K420-E423 IonicContact NZ-OE2 3.82Å; K420-E423 PolarHBondContact NZ-OE2 2.78Å; K420-E423 PolarHBondContact O-N 3.36Å; E423-F425 VanDerWaalsContact C-N 3.35Å; E423-F425 PolarHBondContact O-N 3.3Å; E423-T426 WeakPolarHBondContact O-CB 3.47Å; E423-T426 PolarHBondContact O-N 2.9Å; E423-T426 VanDerWaalsContact O-N 3.1Å; E423-E427 WeakPolarHBondContact O-CG 3.23Å; E423-E427 PolarHBondContact O-N 3.4Å
424	L	97.9	Very high	96.1	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-42.8	176.1	178.5	65.1	0	0	0	112.5	A326 K328 V344 K420 C421 T426 E427 L428	A326-L424 HydrophobicContact CB-CD1 4.07Å; A326-L424 HydrophobicContact CB-CD2 4.48Å; K328-L424 HydrophobicContact CB-CB 4.23Å; K328-L424 HydrophobicContact CB-CD1 4.15Å; K328-L424 HydrophobicContact CB-CD2 4.02Å; K328-L424 HydrophobicContact CB-CG 4.35Å; K328-L424 HydrophobicContact CD-CB 4.4Å; K328-L424 HydrophobicContact CD-CD1 4.34Å; K328-L424 HydrophobicContact CG-CB 4.42Å; V344-L424 HydrophobicContact CG2-CD2 3.63Å; K420-L424 WeakPolarHBondContact O-CB 3Å; K420-L424 PolarHBondContact O-N 2.97Å; C421-L424 WeakPolarHBondContact O-CB 3.31Å; C421-L424 PolarHBondContact O-N 3.3Å; L424-T426 VanDerWaalsContact C-N 3.29Å; L424-T426 PolarHBondContact O-N 3.4Å; L424-E427 PolarHBondContact O-N 2.83Å; L424-L428 VanDerWaalsContact O-CB 3.29Å; L424-L428 WeakPolarHBondContact O-CB 3.44Å; L424-L428 PolarHBondContact O-N 3.22Å
425	F	98.2	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.8	-30.1	177.8	-57.2	-27.1	0	0	0	112.8	V344 L383 F385 I386 C421 L422 E423 S429 F438 I446 L463	V344-F425 HydrophobicContact CG2-CE1 3.9Å; L383-F425 HydrophobicContact CD2-CE2 3.62Å; L383-F425 HydrophobicContact CD2-CZ 3.84Å; F385-F425 HydrophobicContact CE2-CE1 4.33Å; F385-F425 HydrophobicContact CE2-CZ 4.18Å; F385-F425 HydrophobicContact CZ-CE1 4.14Å; F385-F425 HydrophobicContact CZ-CE2 4.45Å; F385-F425 AromaticContact CZ-CZ 3.61Å; F385-F425 HydrophobicContact CZ-CZ 3.61Å; I386-F425 HydrophobicContact CD1-CE1 4.03Å; I386-F425 HydrophobicContact CD1-CZ 3.97Å; C421-F425 HydrophobicContact CB-CE2 4.23Å; C421-F425 HydrophobicContact CB-CZ 4.19Å; C421-F425 WeakPolarHBondContact O-CD1 3.06Å; C421-F425 WeakPolarHBondContact O-CD2 3.48Å; C421-F425 WeakPolarHBondContact O-CG 3.29Å; C421-F425 PolarHBondContact O-N 3.11Å; L422-F425 HydrophobicContact CD2-CD2 4.12Å; L422-F425 HydrophobicContact CD2-CE2 4.48Å; L422-F425 PolarHBondContact O-N 3.37Å; E423-F425 VanDerWaalsContact C-N 3.35Å; E423-F425 PolarHBondContact O-N 3.3Å; F425-S429 WeakPolarHBondContact O-CB 3.04Å; F425-S429 PolarHBondContact O-N 3.45Å; F425-F438 HydrophobicContact CD1-CE1 4.22Å; F425-F438 HydrophobicContact CD1-CE2 4.01Å; F425-F438 AromaticContact CD1-CZ 3.57Å; F425-F438 HydrophobicContact CD1-CZ 3.57Å; F425-F438 HydrophobicContact CD2-CZ 4.4Å; F425-F438 AromaticContact CE1-CE2 3.82Å; F425-F438 HydrophobicContact CE1-CE2 3.82Å; F425-F438 AromaticContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE2-CZ 4.46Å; F425-F438 HydrophobicContact CG-CE1 4.36Å; F425-F438 AromaticContact CG-CZ 3.99Å; F425-F438 HydrophobicContact CG-CZ 3.99Å; F425-F438 HydrophobicContact CZ-CE2 4.48Å; F425-F438 HydrophobicContact CZ-CZ 4.13Å; F425-I446 HydrophobicContact CD2-CD1 4.12Å; F425-I446 HydrophobicContact CE2-CD1 4.12Å; F425-L463 HydrophobicContact CB-CD1 3.65Å; F425-L463 HydrophobicContact CB-CD2 4.1Å; F425-L463 HydrophobicContact CD2-CD1 3.98Å; F425-L463 HydrophobicContact CG-CD1 4.29Å
426	T	96.8	Very high	96.4	Very high	60 Å²	60	53.6 Å²	53.6	37%	0.368	26%	0.261	S	S	.	.	H	α-helix	trans	-69	-47.8	174.9	-54.3	0	0	0	0	109.9	L422 E423 L424 L428 S429 E430	L422-T426 PolarHBondContact O-N 3.35Å; L422-T426 PolarHBondContact O-OG1 2.84Å; E423-T426 WeakPolarHBondContact O-CB 3.47Å; E423-T426 PolarHBondContact O-N 2.9Å; E423-T426 VanDerWaalsContact O-N 3.1Å; L424-T426 VanDerWaalsContact C-N 3.29Å; L424-T426 PolarHBondContact O-N 3.4Å; T426-L428 VanDerWaalsContact C-N 3.32Å; T426-L428 PolarHBondContact O-N 3.16Å; T426-S429 WeakPolarHBondContact O-CB 3.48Å; T426-S429 PolarHBondContact O-N 3.24Å; T426-S429 PolarHBondContact O-OG 3.4Å; T426-E430 PolarHBondContact O-N 3.2Å
427	E	96.4	Very high	96.4	Very high	88 Å²	88	56.3 Å²	56.3	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-45	173.5	-70.2	164.2	-167.9	0	0	111	K328 E423 L424 S429 E430	K328-E427 IonicContact NZ-OE1 3.21Å; K328-E427 PolarHBondContact NZ-OE1 3.06Å; K328-E427 IonicContact NZ-OE2 2.73Å; K328-E427 PolarHBondContact NZ-OE2 3.13Å; E423-E427 WeakPolarHBondContact O-CG 3.23Å; E423-E427 PolarHBondContact O-N 3.4Å; L424-E427 PolarHBondContact O-N 2.83Å; E427-S429 PolarHBondContact O-N 2.97Å; E427-E430 WeakPolarHBondContact O-CB 3.39Å; E427-E430 PolarHBondContact O-N 3.48Å; E427-E430 VanDerWaalsContact O-N 3.08Å
428	L	95.8	Very high	96.5	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-30.1	176.9	-167	62	0	0	0	112	L325 A326 L424 T426 E430 D431 N434 Y435 F438	L325-L428 HydrophobicContact CD2-CD2 4.32Å; A326-L428 HydrophobicContact CB-CD1 4.12Å; A326-L428 HydrophobicContact CB-CD2 4.46Å; L424-L428 VanDerWaalsContact O-CB 3.29Å; L424-L428 WeakPolarHBondContact O-CB 3.44Å; L424-L428 PolarHBondContact O-N 3.22Å; T426-L428 VanDerWaalsContact C-N 3.32Å; T426-L428 PolarHBondContact O-N 3.16Å; L428-E430 PolarHBondContact O-N 3.34Å; L428-D431 PolarHBondContact O-N 3.36Å; L428-D431 VanDerWaalsContact O-O 3.11Å; L428-N434 HydrophobicContact CD1-CB 3.98Å; L428-Y435 HydrophobicContact CB-CD2 4.38Å; L428-Y435 HydrophobicContact CG-CD2 4.25Å; L428-Y435 WeakPolarHBondContact O-CB 3.23Å; L428-F438 HydrophobicContact CD2-CB 3.62Å; L428-F438 HydrophobicContact CD2-CD1 4.08Å; L428-F438 HydrophobicContact CD2-CD2 3.91Å; L428-F438 HydrophobicContact CD2-CG 3.59Å
429	S	95.3	Very high	96.5	Very high	35 Å²	35	56.2 Å²	56.2	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-71.8	-15.6	178.6	82.2	0	0	0	0	114.4	F425 T426 E427 D431	F425-S429 WeakPolarHBondContact O-CB 3.04Å; F425-S429 PolarHBondContact O-N 3.45Å; T426-S429 WeakPolarHBondContact O-CB 3.48Å; T426-S429 PolarHBondContact O-N 3.24Å; T426-S429 PolarHBondContact O-OG 3.4Å; E427-S429 PolarHBondContact O-N 2.97Å; S429-D431 VanDerWaalsContact C-N 3.32Å
430	E	94.8	Very high	96.5	Very high	163 Å²	163	56.8 Å²	56.8	76%	0.762	27%	0.274	S	S	*	.	H	α-helix	trans	-74.2	-26.5	172.4	-57.6	-178.7	168.8	0	0	111.4	T426 E427 L428	T426-E430 PolarHBondContact O-N 3.2Å; E427-E430 WeakPolarHBondContact O-CB 3.39Å; E427-E430 PolarHBondContact O-N 3.48Å; E427-E430 VanDerWaalsContact O-N 3.08Å; L428-E430 PolarHBondContact O-N 3.34Å
431	D	94.6	Very high	96.5	Very high	66 Å²	66	57.8 Å²	57.8	35%	0.353	28%	0.28	S	S	.	.	S	Bend	trans	-93.1	95.8	171	-177.2	-23.6	0	0	0	110.5	L428 S429 D433 N434 Y435	L428-D431 PolarHBondContact O-N 3.36Å; L428-D431 VanDerWaalsContact O-O 3.11Å; S429-D431 VanDerWaalsContact C-N 3.32Å; D431-D433 VanDerWaalsContact C-N 3.25Å; D431-D433 PolarHBondContact O-N 2.89Å; D431-D433 PolarHBondContact OD1-N 3.2Å; D431-D433 VanDerWaalsContact OD1-N 3.15Å; D431-N434 HydrophobicContact CB-CB 4.36Å; D431-N434 PolarHBondContact O-N 3.48Å; D431-N434 PolarHBondContact OD1-N 2.85Å; D431-N434 PolarHBondContact OD2-ND2 2.74Å; D431-Y435 WeakPolarHBondContact O-CB 3.48Å; D431-Y435 PolarHBondContact O-N 2.97Å
432	K	92.9	Very high	96.5	Very high	133 Å²	133	57.8 Å²	57.8	58%	0.578	28%	0.28	S	S	*	.	H	α-helix	trans	-55.5	-37.8	-175.6	-167.8	-178.6	178.3	-170.4	0	113	K436 E474	K432-K436 WeakPolarHBondContact O-CB 3.25Å; K432-K436 PolarHBondContact O-N 3.29Å; K432-E474 IonicContact NZ-OE1 2.68Å; K432-E474 IonicContact NZ-OE2 3.35Å; K432-E474 PolarHBondContact NZ-OE2 3.36Å
433	D	94.6	Very high	96.5	Very high	118 Å²	118	58.2 Å²	58.2	63%	0.631	28%	0.283	S	S	*	.	H	α-helix	trans	-76.5	-45.5	-173.7	-72.9	-21.5	0	0	0	111.6	D431 K436 K437	D431-D433 VanDerWaalsContact C-N 3.25Å; D431-D433 PolarHBondContact O-N 2.89Å; D431-D433 PolarHBondContact OD1-N 3.2Å; D431-D433 VanDerWaalsContact OD1-N 3.15Å; D433-K436 PolarHBondContact O-N 3.29Å; D433-K437 PolarHBondContact O-N 3.09Å
434	N	95	Very high	96.5	Very high	42 Å²	42	60.8 Å²	60.8	23%	0.225	29%	0.293	C	S	.	.	H	α-helix	trans	-72.5	-32.5	176	-75.2	-38.1	0	0	0	111.9	L325 L428 D431 K437 F438	L325-N434 HydrophobicContact CD1-CB 4.36Å; L428-N434 HydrophobicContact CD1-CB 3.98Å; D431-N434 HydrophobicContact CB-CB 4.36Å; D431-N434 PolarHBondContact O-N 3.48Å; D431-N434 PolarHBondContact OD1-N 2.85Å; D431-N434 PolarHBondContact OD2-ND2 2.74Å; N434-K437 PolarHBondContact O-N 2.92Å; N434-F438 WeakPolarHBondContact O-CB 3.23Å; N434-F438 PolarHBondContact O-N 2.79Å
435	Y	97.5	Very high	96.5	Very high	8 Å²	8	60.6 Å²	60.6	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-39.7	173.7	-165.5	-105.6	0	0	0	112.8	L428 D431 K437 F438 Y439 L463 R465	L428-Y435 HydrophobicContact CB-CD2 4.38Å; L428-Y435 HydrophobicContact CG-CD2 4.25Å; L428-Y435 WeakPolarHBondContact O-CB 3.23Å; D431-Y435 WeakPolarHBondContact O-CB 3.48Å; D431-Y435 PolarHBondContact O-N 2.97Å; Y435-K437 VanDerWaalsContact C-N 3.33Å; Y435-K437 PolarHBondContact O-N 3.17Å; Y435-F438 AromaticContact CD2-CD1 4Å; Y435-F438 HydrophobicContact CD2-CD1 4Å; Y435-F438 AromaticContact CE2-CD1 3.77Å; Y435-F438 HydrophobicContact CE2-CD1 3.77Å; Y435-F438 HydrophobicContact CE2-CE1 4.12Å; Y435-F438 WeakPolarHBondContact O-CB 3.3Å; Y435-F438 PolarHBondContact O-N 3.07Å; Y435-Y439 HydrophobicContact CE1-CD2 4.23Å; Y435-Y439 WeakPolarHBondContact O-CB 3.12Å; Y435-Y439 PolarHBondContact O-N 3.01Å; Y435-L463 HydrophobicContact CE2-CD2 4.3Å; Y435-L463 VanDerWaalsContact OH-C 3.29Å; Y435-L463 WeakPolarHBondContact OH-CA 3.47Å; Y435-L463 WeakPolarHBondContact OH-CB 3.43Å; Y435-L463 PolarHBondContact OH-O 3.2Å; Y435-R465 HydrophobicContact CD1-CG 4.35Å; Y435-R465 HydrophobicContact CE1-CG 3.69Å; Y435-R465 VanDerWaalsContact CE1-CZ 3.43Å
436	K	96.3	Very high	96.5	Very high	127 Å²	127	60.6 Å²	60.6	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-58.2	-47.9	175.1	-178.6	178.7	175.3	-179.2	0	110.8	K432 D433 F438 Y439 E440	K432-K436 WeakPolarHBondContact O-CB 3.25Å; K432-K436 PolarHBondContact O-N 3.29Å; D433-K436 PolarHBondContact O-N 3.29Å; K436-F438 PolarHBondContact O-N 3.25Å; K436-Y439 PolarHBondContact O-N 2.94Å; K436-E440 WeakPolarHBondContact CE-OE1 3.46Å; K436-E440 WeakPolarHBondContact O-CB 3.48Å; K436-E440 VanDerWaalsContact O-CG 3.31Å; K436-E440 WeakPolarHBondContact O-CG 3.38Å; K436-E440 PolarHBondContact O-N 2.94Å
437	K	96.6	Very high	96.5	Very high	101 Å²	101	58 Å²	58	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-44.2	176.2	-65	172	-172.3	166.3	0	111.9	D433 N434 Y435 Q441	D433-K437 PolarHBondContact O-N 3.09Å; N434-K437 PolarHBondContact O-N 2.92Å; Y435-K437 VanDerWaalsContact C-N 3.33Å; Y435-K437 PolarHBondContact O-N 3.17Å; K437-Q441 WeakPolarHBondContact O-CG 3.45Å; K437-Q441 PolarHBondContact O-N 2.79Å
438	F	98.1	Very high	96.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-50.1	174.9	170	-108.7	0	0	0	112	L325 V344 F385 F425 L428 N434 Y435 K436 E440 Q441 F442 I446	L325-F438 HydrophobicContact CD2-CB 3.64Å; L325-F438 HydrophobicContact CD2-CD2 4.32Å; L325-F438 HydrophobicContact CD2-CG 4.48Å; V344-F438 HydrophobicContact CG1-CD2 3.66Å; V344-F438 HydrophobicContact CG1-CE2 3.86Å; F385-F438 AromaticContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CZ-CE2 4.07Å; F385-F438 HydrophobicContact CZ-CZ 4.33Å; F425-F438 HydrophobicContact CD1-CE1 4.22Å; F425-F438 HydrophobicContact CD1-CE2 4.01Å; F425-F438 AromaticContact CD1-CZ 3.57Å; F425-F438 HydrophobicContact CD1-CZ 3.57Å; F425-F438 HydrophobicContact CD2-CZ 4.4Å; F425-F438 AromaticContact CE1-CE2 3.82Å; F425-F438 HydrophobicContact CE1-CE2 3.82Å; F425-F438 AromaticContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE2-CZ 4.46Å; F425-F438 HydrophobicContact CG-CE1 4.36Å; F425-F438 AromaticContact CG-CZ 3.99Å; F425-F438 HydrophobicContact CG-CZ 3.99Å; F425-F438 HydrophobicContact CZ-CE2 4.48Å; F425-F438 HydrophobicContact CZ-CZ 4.13Å; L428-F438 HydrophobicContact CD2-CB 3.62Å; L428-F438 HydrophobicContact CD2-CD1 4.08Å; L428-F438 HydrophobicContact CD2-CD2 3.91Å; L428-F438 HydrophobicContact CD2-CG 3.59Å; N434-F438 WeakPolarHBondContact O-CB 3.23Å; N434-F438 PolarHBondContact O-N 2.79Å; Y435-F438 AromaticContact CD2-CD1 4Å; Y435-F438 HydrophobicContact CD2-CD1 4Å; Y435-F438 AromaticContact CE2-CD1 3.77Å; Y435-F438 HydrophobicContact CE2-CD1 3.77Å; Y435-F438 HydrophobicContact CE2-CE1 4.12Å; Y435-F438 WeakPolarHBondContact O-CB 3.3Å; Y435-F438 PolarHBondContact O-N 3.07Å; K436-F438 PolarHBondContact O-N 3.25Å; F438-E440 PolarHBondContact O-N 3.24Å; F438-Q441 PolarHBondContact O-N 3.41Å; F438-F442 HydrophobicContact CD2-CB 4.41Å; F438-F442 AromaticContact CD2-CD2 3.58Å; F438-F442 HydrophobicContact CD2-CD2 3.58Å; F438-F442 HydrophobicContact CD2-CE2 4.35Å; F438-F442 HydrophobicContact CD2-CG 4.4Å; F438-F442 HydrophobicContact CE2-CB 4.02Å; F438-F442 AromaticContact CE2-CD2 3.75Å; F438-F442 HydrophobicContact CE2-CD2 3.75Å; F438-F442 HydrophobicContact CE2-CG 4.2Å; F438-F442 HydrophobicContact CZ-CB 4.35Å; F438-F442 WeakPolarHBondContact O-CD2 3.44Å; F438-F442 PolarHBondContact O-N 3.15Å; F438-I446 HydrophobicContact CE1-CD1 4.31Å; F438-I446 HydrophobicContact CE1-CG1 4.33Å; F438-I446 HydrophobicContact CZ-CD1 4.11Å; F438-I446 HydrophobicContact CZ-CG1 4.42Å
439	Y	97.8	Very high	96.6	Very high	8 Å²	8	54.8 Å²	54.8	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-39.6	-175.6	-162.9	-98.3	0	0	0	111.3	Y435 K436 Q441 F442 S443 K447 L463 R465 M475	Y435-Y439 HydrophobicContact CE1-CD2 4.23Å; Y435-Y439 WeakPolarHBondContact O-CB 3.12Å; Y435-Y439 PolarHBondContact O-N 3.01Å; K436-Y439 PolarHBondContact O-N 2.94Å; Y439-Q441 PolarHBondContact O-N 2.81Å; Y439-F442 PolarHBondContact O-N 2.95Å; Y439-S443 WeakPolarHBondContact O-CA 3.31Å; Y439-S443 WeakPolarHBondContact O-CB 3.5Å; Y439-S443 PolarHBondContact O-N 3.05Å; Y439-K447 WeakPolarHBondContact OH-CE 3.46Å; Y439-L463 WeakPolarHBondContact CE2-O 3.32Å; Y439-R465 HydrophobicContact CD1-CB 3.9Å; Y439-R465 HydrophobicContact CD1-CG 4.38Å; Y439-R465 HydrophobicContact CD2-CB 4.44Å; Y439-R465 HydrophobicContact CD2-CG 4.24Å; Y439-R465 HydrophobicContact CE1-CB 3.67Å; Y439-R465 HydrophobicContact CE1-CG 4.47Å; Y439-R465 WeakPolarHBondContact CE1-O 3.32Å; Y439-R465 HydrophobicContact CE2-CB 4.26Å; Y439-R465 HydrophobicContact CE2-CG 4.35Å; Y439-R465 HydrophobicContact CG-CB 4.28Å; Y439-R465 HydrophobicContact CG-CG 4.27Å; Y439-R465 VanDerWaalsContact CZ-N 3.32Å; Y439-R465 PolarHBondContact OH-N 2.75Å; Y439-R465 VanDerWaalsContact OH-N 3.14Å; Y439-R465 PolarHBondContact OH-O 2.76Å; Y439-M475 HydrophobicContact CD1-SD 4.07Å; Y439-M475 HydrophobicContact CE1-SD 3.99Å
440	E	96.3	Very high	96.7	Very high	118 Å²	118	53.1 Å²	53.1	55%	0.551	25%	0.25	S	C	*	.	H	α-helix	trans	-58.5	-35.7	174.6	-76.1	171.9	-176.8	0	0	112.7	K436 F438	K436-E440 WeakPolarHBondContact CE-OE1 3.46Å; K436-E440 WeakPolarHBondContact O-CB 3.48Å; K436-E440 VanDerWaalsContact O-CG 3.31Å; K436-E440 WeakPolarHBondContact O-CG 3.38Å; K436-E440 PolarHBondContact O-N 2.94Å; F438-E440 PolarHBondContact O-N 3.24Å
441	Q	97.3	Very high	96.8	Very high	74 Å²	74	48.4 Å²	48.4	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-85.6	-35.6	-178.9	-62.5	-62.3	-51.4	0	0	113.2	R346 K437 F438 Y439	R346-Q441 WeakPolarHBondContact O-CG 3.4Å; K437-Q441 WeakPolarHBondContact O-CG 3.45Å; K437-Q441 PolarHBondContact O-N 2.79Å; F438-Q441 PolarHBondContact O-N 3.41Å; Y439-Q441 PolarHBondContact O-N 2.81Å
442	F	98.2	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-125.7	13.7	-167.1	-55	-69.9	0	0	0	114.5	V344 P345 A348 L352 F385 F438 Y439 K444 N445 I446	V344-F442 HydrophobicContact CG1-CD2 4.46Å; V344-F442 HydrophobicContact CG1-CE2 4.11Å; P345-F442 HydrophobicContact CB-CZ 4.31Å; P345-F442 VanDerWaalsContact O-CE2 3.31Å; P345-F442 WeakPolarHBondContact O-CE2 3.01Å; A348-F442 HydrophobicContact CB-CD1 4.37Å; A348-F442 HydrophobicContact CB-CE1 3.84Å; A348-F442 HydrophobicContact CB-CZ 4.39Å; L352-F442 HydrophobicContact CD2-CD1 4.34Å; L352-F442 HydrophobicContact CD2-CE1 4.41Å; F385-F442 HydrophobicContact CB-CD1 3.86Å; F385-F442 HydrophobicContact CB-CE1 3.54Å; F385-F442 HydrophobicContact CB-CZ 4.41Å; F385-F442 AromaticContact CD1-CD1 3.99Å; F385-F442 HydrophobicContact CD1-CD1 3.99Å; F385-F442 HydrophobicContact CD1-CE1 4.5Å; F385-F442 AromaticContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD2 4.29Å; F385-F442 AromaticContact CD2-CE1 3.59Å; F385-F442 HydrophobicContact CD2-CE1 3.59Å; F385-F442 HydrophobicContact CD2-CE2 4.26Å; F385-F442 AromaticContact CD2-CG 3.97Å; F385-F442 HydrophobicContact CD2-CG 3.97Å; F385-F442 AromaticContact CD2-CZ 3.93Å; F385-F442 HydrophobicContact CD2-CZ 3.93Å; F385-F442 HydrophobicContact CE1-CB 4.5Å; F385-F442 HydrophobicContact CE1-CD1 4.43Å; F385-F442 HydrophobicContact CE2-CB 4.46Å; F385-F442 HydrophobicContact CE2-CD1 4.09Å; F385-F442 HydrophobicContact CE2-CD2 4.22Å; F385-F442 HydrophobicContact CE2-CE1 4.41Å; F385-F442 AromaticContact CE2-CG 3.99Å; F385-F442 HydrophobicContact CE2-CG 3.99Å; F385-F442 AromaticContact CG-CD1 3.54Å; F385-F442 HydrophobicContact CG-CD1 3.54Å; F385-F442 AromaticContact CG-CE1 3.63Å; F385-F442 HydrophobicContact CG-CE1 3.63Å; F385-F442 HydrophobicContact CG-CG 4.26Å; F385-F442 HydrophobicContact CG-CZ 4.41Å; F385-F442 HydrophobicContact CZ-CB 4.3Å; F385-F442 HydrophobicContact CZ-CD1 4.46Å; F385-F442 HydrophobicContact CZ-CG 4.3Å; F438-F442 HydrophobicContact CD2-CB 4.41Å; F438-F442 AromaticContact CD2-CD2 3.58Å; F438-F442 HydrophobicContact CD2-CD2 3.58Å; F438-F442 HydrophobicContact CD2-CE2 4.35Å; F438-F442 HydrophobicContact CD2-CG 4.4Å; F438-F442 HydrophobicContact CE2-CB 4.02Å; F438-F442 AromaticContact CE2-CD2 3.75Å; F438-F442 HydrophobicContact CE2-CD2 3.75Å; F438-F442 HydrophobicContact CE2-CG 4.2Å; F438-F442 HydrophobicContact CZ-CB 4.35Å; F438-F442 WeakPolarHBondContact O-CD2 3.44Å; F438-F442 PolarHBondContact O-N 3.15Å; Y439-F442 PolarHBondContact O-N 2.95Å; F442-K444 PolarHBondContact O-N 3.29Å; F442-N445 HydrophobicContact CB-CB 4.42Å; F442-N445 WeakPolarHBondContact O-CB 3.26Å; F442-N445 PolarHBondContact O-N 3.28Å; F442-I446 PolarHBondContact O-N 3.25Å; F442-I446 VanDerWaalsContact O-N 3.1Å
443	S	97.8	Very high	97	Very high	10 Å²	10	45 Å²	45	7%	0.07	21%	0.213	C	C	.	.	H	α-helix	trans	-53.4	-42	176.5	60.8	0	0	0	0	112.2	Y439 N445 I446 K447 E524	Y439-S443 WeakPolarHBondContact O-CA 3.31Å; Y439-S443 WeakPolarHBondContact O-CB 3.5Å; Y439-S443 PolarHBondContact O-N 3.05Å; S443-N445 VanDerWaalsContact C-N 3.3Å; S443-N445 PolarHBondContact O-N 3.45Å; S443-I446 PolarHBondContact O-N 2.89Å; S443-K447 WeakPolarHBondContact O-CB 3.22Å; S443-K447 VanDerWaalsContact O-CG 3.27Å; S443-K447 WeakPolarHBondContact O-CG 3.49Å; S443-K447 PolarHBondContact O-N 2.85Å; S443-E524 PolarHBondContact OG-OE2 3.2Å
444	K	97.6	Very high	97.1	Very high	104 Å²	104	43.3 Å²	43.3	45%	0.452	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-40.4	178.3	-68.4	176	-177.3	171	0	111.8	F353 F442 K447 L448 E524 I526	F353-K444 HydrophobicContact CE2-CB 4.38Å; F353-K444 HydrophobicContact CE2-CD 4.16Å; F353-K444 HydrophobicContact CZ-CB 3.8Å; F353-K444 HydrophobicContact CZ-CD 4.4Å; F442-K444 PolarHBondContact O-N 3.29Å; K444-K447 PolarHBondContact O-N 3.39Å; K444-L448 WeakPolarHBondContact O-CB 3.25Å; K444-L448 PolarHBondContact O-N 2.95Å; K444-E524 WeakPolarHBondContact CE-OE1 3.42Å; K444-I526 HydrophobicContact CG-CG2 4.47Å; K444-I526 WeakPolarHBondContact O-CD1 3.41Å
445	N	97.8	Very high	97.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.011	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-45.7	175.3	-70.5	87.3	0	0	0	111.4	L352 F353 Y382 F385 F442 S443 K447 L448 G449	L352-N445 WeakPolarHBondContact CD2-OD1 3.36Å; F353-N445 WeakPolarHBondContact CZ-OD1 3.35Å; Y382-N445 WeakPolarHBondContact CB-O 3.44Å; Y382-N445 VanDerWaalsContact O-CB 3.31Å; Y382-N445 WeakPolarHBondContact O-CB 3.46Å; Y382-N445 PolarHBondContact O-ND2 2.94Å; F385-N445 HydrophobicContact CD1-CB 3.93Å; F385-N445 HydrophobicContact CE1-CB 3.71Å; F442-N445 HydrophobicContact CB-CB 4.42Å; F442-N445 WeakPolarHBondContact O-CB 3.26Å; F442-N445 PolarHBondContact O-N 3.28Å; S443-N445 VanDerWaalsContact C-N 3.3Å; S443-N445 PolarHBondContact O-N 3.45Å; N445-K447 VanDerWaalsContact C-N 3.33Å; N445-K447 PolarHBondContact O-N 2.99Å; N445-L448 PolarHBondContact O-N 2.97Å; N445-G449 PolarHBondContact O-N 2.97Å
446	I	98.3	Very high	97.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-43.9	176.1	-59.8	-56.9	0	0	0	111.3	F425 F438 F442 S443 G449 I450 L460 L463 L464	F425-I446 HydrophobicContact CD2-CD1 4.12Å; F425-I446 HydrophobicContact CE2-CD1 4.12Å; F438-I446 HydrophobicContact CE1-CD1 4.31Å; F438-I446 HydrophobicContact CE1-CG1 4.33Å; F438-I446 HydrophobicContact CZ-CD1 4.11Å; F438-I446 HydrophobicContact CZ-CG1 4.42Å; F442-I446 PolarHBondContact O-N 3.25Å; F442-I446 VanDerWaalsContact O-N 3.1Å; S443-I446 PolarHBondContact O-N 2.89Å; I446-G449 WeakPolarHBondContact O-CA 3.43Å; I446-G449 PolarHBondContact O-N 2.85Å; I446-I450 PolarHBondContact O-N 3.33Å; I446-L460 HydrophobicContact CD1-CD2 4.33Å; I446-L460 HydrophobicContact CG2-CD2 4.39Å; I446-L463 HydrophobicContact CD1-CD1 4.39Å; I446-L463 HydrophobicContact CG2-CB 4.15Å; I446-L464 HydrophobicContact CG2-CD2 4.11Å
447	K	98.3	Very high	97.1	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-37	178.4	-67.6	172.2	-174.4	-172.1	0	112.4	Y439 S443 K444 N445 G449 I450 H451 L464 E524 I526 D527 C530	Y439-K447 WeakPolarHBondContact OH-CE 3.46Å; S443-K447 WeakPolarHBondContact O-CB 3.22Å; S443-K447 VanDerWaalsContact O-CG 3.27Å; S443-K447 WeakPolarHBondContact O-CG 3.49Å; S443-K447 PolarHBondContact O-N 2.85Å; K444-K447 PolarHBondContact O-N 3.39Å; N445-K447 VanDerWaalsContact C-N 3.33Å; N445-K447 PolarHBondContact O-N 2.99Å; K447-G449 VanDerWaalsContact C-N 3.32Å; K447-I450 WeakPolarHBondContact O-CB 3.28Å; K447-I450 PolarHBondContact O-N 3.24Å; K447-H451 PolarHBondContact O-N 2.84Å; K447-L464 HydrophobicContact CG-CD2 3.91Å; K447-E524 IonicContact NZ-OE2 2.88Å; K447-E524 PolarHBondContact NZ-OE2 3.31Å; K447-I526 HydrophobicContact CB-CD1 4.03Å; K447-I526 HydrophobicContact CB-CG1 4.04Å; K447-I526 HydrophobicContact CB-CG2 4.07Å; K447-I526 HydrophobicContact CD-CG2 3.63Å; K447-I526 HydrophobicContact CG-CG2 4.49Å; K447-D527 VanDerWaalsContact CD-OD1 3.24Å; K447-D527 WeakPolarHBondContact CD-OD1 3.47Å; K447-D527 WeakPolarHBondContact CE-OD1 3.42Å; K447-D527 IonicContact NZ-OD1 3.68Å; K447-D527 PolarHBondContact NZ-OD1 3.13Å; K447-D527 IonicContact NZ-OD2 3.64Å; K447-D527 PolarHBondContact NZ-OD2 3.48Å; K447-C530 HydrophobicContact CB-CB 4.46Å
448	L	96.7	Very high	97.1	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.188	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-41.3	170.8	-177	62.4	0	0	0	111	E381 K444 N445 I450 H451 E452 I526	E381-L448 HydrophobicContact CG-CD2 4.48Å; K444-L448 WeakPolarHBondContact O-CB 3.25Å; K444-L448 PolarHBondContact O-N 2.95Å; N445-L448 PolarHBondContact O-N 2.97Å; L448-I450 VanDerWaalsContact C-N 3.31Å; L448-I450 PolarHBondContact O-N 3.23Å; L448-H451 WeakPolarHBondContact O-CA 3.38Å; L448-H451 WeakPolarHBondContact O-CB 3.33Å; L448-H451 PolarHBondContact O-N 3.35Å; L448-E452 HydrophobicContact CD1-CG 4.04Å; L448-E452 HydrophobicContact CG-CG 4.36Å; L448-E452 PolarHBondContact O-N 3.25Å; L448-I526 HydrophobicContact CB-CD1 4.13Å
449	G	97.4	Very high	97	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-40	173.9	0	0	0	0	0	112.9	Y382 N445 I446 K447 H451 E452 D453 L460	Y382-G449 VanDerWaalsContact CG-CA 3.41Å; N445-G449 PolarHBondContact O-N 2.97Å; I446-G449 WeakPolarHBondContact O-CA 3.43Å; I446-G449 PolarHBondContact O-N 2.85Å; K447-G449 VanDerWaalsContact C-N 3.32Å; G449-H451 VanDerWaalsContact C-N 3.27Å; G449-H451 PolarHBondContact O-N 2.94Å; G449-E452 PolarHBondContact O-N 2.61Å; G449-D453 WeakPolarHBondContact O-CA 3.42Å; G449-D453 WeakPolarHBondContact O-CB 3.35Å; G449-D453 PolarHBondContact O-N 3.21Å; G449-L460 VanDerWaalsContact C-CD1 3.48Å
450	I	97.9	Very high	97	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-40.5	173.1	-65.5	-71.6	0	0	0	111.3	I446 K447 L448 R457 L460 L464 C530 Q533 L534	I446-I450 PolarHBondContact O-N 3.33Å; K447-I450 WeakPolarHBondContact O-CB 3.28Å; K447-I450 PolarHBondContact O-N 3.24Å; L448-I450 VanDerWaalsContact C-N 3.31Å; L448-I450 PolarHBondContact O-N 3.23Å; I450-R457 HydrophobicContact CD1-CG 3.88Å; I450-R457 WeakPolarHBondContact CD1-O 3.19Å; I450-R457 HydrophobicContact CG2-CG 4.1Å; I450-R457 PolarHBondContact O-NE 3.18Å; I450-R457 PolarHBondContact O-NH2 3.1Å; I450-L460 HydrophobicContact CD1-CB 3.41Å; I450-L460 VanDerWaalsContact CD1-CB 3.41Å; I450-L460 HydrophobicContact CG1-CB 4.09Å; I450-L464 HydrophobicContact CD1-CD1 4.46Å; I450-L464 HydrophobicContact CG1-CD1 4.39Å; I450-C530 VanDerWaalsContact CG2-SG 3.53Å; I450-Q533 HydrophobicContact CG2-CB 4.45Å; I450-L534 HydrophobicContact CG2-CB 4.3Å
451	H	96.3	Very high	97.1	Very high	64 Å²	64	47.9 Å²	47.9	30%	0.296	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-49.1	-179.4	-171.8	72.1	0	0	0	111.7	K447 L448 G449 Y529	K447-H451 PolarHBondContact O-N 2.84Å; L448-H451 WeakPolarHBondContact O-CA 3.38Å; L448-H451 WeakPolarHBondContact O-CB 3.33Å; L448-H451 PolarHBondContact O-N 3.35Å; G449-H451 VanDerWaalsContact C-N 3.27Å; G449-H451 PolarHBondContact O-N 2.94Å; H451-Y529 PolarHBondContact ND1-O 2.98Å
452	E	95.3	Very high	97.1	Very high	104 Å²	104	48.5 Å²	48.5	49%	0.486	23%	0.232	S	C	.	.	H	α-helix	trans	-89.9	-41.3	-170.9	-63.1	-176.6	160.6	0	0	114.3	L448 G449 S454	L448-E452 HydrophobicContact CD1-CG 4.04Å; L448-E452 HydrophobicContact CG-CG 4.36Å; L448-E452 PolarHBondContact O-N 3.25Å; G449-E452 PolarHBondContact O-N 2.61Å; E452-S454 PolarHBondContact O-N 3.3Å
453	D	96.3	Very high	97	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.134	23%	0.233	C	C	.	.			trans	-98.1	87.2	-169.8	-169.1	-20	0	0	0	111.9	Y382 G449 Q455 N456 R457 L460	Y382-D453 HydrophobicContact CD1-CB 4.44Å; Y382-D453 HydrophobicContact CE1-CB 3.69Å; Y382-D453 WeakPolarHBondContact CE1-OD2 3.31Å; Y382-D453 PolarHBondContact OH-OD2 3.33Å; G449-D453 WeakPolarHBondContact O-CA 3.42Å; G449-D453 WeakPolarHBondContact O-CB 3.35Å; G449-D453 PolarHBondContact O-N 3.21Å; D453-Q455 PolarHBondContact O-N 3.38Å; D453-Q455 PolarHBondContact OD1-N 3.31Å; D453-Q455 VanDerWaalsContact OD1-N 3.11Å; D453-N456 PolarHBondContact OD1-N 3.48Å; D453-N456 PolarHBondContact OD1-ND2 3.05Å; D453-N456 PolarHBondContact OD2-ND2 2.84Å; D453-R457 WeakPolarHBondContact O-CB 3.44Å; D453-R457 PolarHBondContact O-N 3.47Å; D453-L460 HydrophobicContact CB-CD1 4.45Å
454	S	95.9	Very high	97.1	Very high	82 Å²	82	48.2 Å²	48.2	57%	0.573	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.3	178.2	62	0	0	0	0	114.2	E452	E452-S454 PolarHBondContact O-N 3.3Å
455	Q	96.1	Very high	97.1	Very high	157 Å²	157	45.1 Å²	45.1	73%	0.734	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-41.1	-177.3	-65.4	-175.3	-8.9	0	0	111.3	D453	D453-Q455 PolarHBondContact O-N 3.38Å; D453-Q455 PolarHBondContact OD1-N 3.31Å; D453-Q455 VanDerWaalsContact OD1-N 3.11Å
456	N	97.4	Very high	97.1	Very high	36 Å²	36	45.3 Å²	45.3	19%	0.193	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-1.6	-178.6	-64.4	-61.5	0	0	0	113.8	V418 L422 D453 K458 K459 L460	V418-N456 WeakPolarHBondContact CG1-ND2 3.48Å; L422-N456 HydrophobicContact CD1-CB 3.67Å; D453-N456 PolarHBondContact OD1-N 3.48Å; D453-N456 PolarHBondContact OD1-ND2 3.05Å; D453-N456 PolarHBondContact OD2-ND2 2.84Å; N456-K458 PolarHBondContact O-N 3.29Å; N456-K458 VanDerWaalsContact O-N 3.08Å; N456-K459 PolarHBondContact O-N 3.27Å; N456-L460 HydrophobicContact CB-CD1 4.3Å; N456-L460 PolarHBondContact O-N 3.01Å
457	R	96.6	Very high	97.1	Very high	49 Å²	49	48 Å²	48	19%	0.185	23%	0.227	C	C	.	.	H	α-helix	trans	-47.4	-41.5	-178.8	-169.8	174.4	-63.9	140.6	-1.9	114.1	I450 D453 L460 S461	I450-R457 HydrophobicContact CD1-CG 3.88Å; I450-R457 WeakPolarHBondContact CD1-O 3.19Å; I450-R457 HydrophobicContact CG2-CG 4.1Å; I450-R457 PolarHBondContact O-NE 3.18Å; I450-R457 PolarHBondContact O-NH2 3.1Å; D453-R457 WeakPolarHBondContact O-CB 3.44Å; D453-R457 PolarHBondContact O-N 3.47Å; R457-L460 PolarHBondContact O-N 3.23Å; R457-S461 WeakPolarHBondContact O-CB 3.5Å; R457-S461 PolarHBondContact O-N 3.14Å; R457-S461 PolarHBondContact O-OG 3.49Å
458	K	95.5	Very high	97	Very high	161 Å²	161	48 Å²	48	70%	0.7	23%	0.227	S	C	*	.	H	α-helix	trans	-62.3	-42.1	178.8	-175.7	179.9	177	-178.1	0	112.4	N456 S461	N456-K458 PolarHBondContact O-N 3.29Å; N456-K458 VanDerWaalsContact O-N 3.08Å; K458-S461 PolarHBondContact O-OG 2.95Å
459	K	96.3	Very high	97	Very high	93 Å²	93	48.2 Å²	48.2	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-72.4	-41.1	177.1	-70.1	-174.9	172.8	-171.8	0	111.3	L422 N456 S461 E462	L422-K459 HydrophobicContact CD1-CB 4.41Å; L422-K459 HydrophobicContact CD1-CD 4.22Å; N456-K459 PolarHBondContact O-N 3.27Å; K459-S461 VanDerWaalsContact C-N 3.26Å; K459-S461 PolarHBondContact O-N 3.2Å; K459-E462 PolarHBondContact O-N 3.18Å
460	L	97.8	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-32.2	177.7	-72.5	169.3	0	0	0	112.2	Y382 L422 I446 G449 I450 D453 N456 R457 E462 L463	Y382-L460 HydrophobicContact CE2-CD1 4.24Å; Y382-L460 HydrophobicContact CE2-CD2 4.19Å; L422-L460 HydrophobicContact CD2-CD2 3.51Å; L422-L460 HydrophobicContact CD2-CG 4.07Å; I446-L460 HydrophobicContact CD1-CD2 4.33Å; I446-L460 HydrophobicContact CG2-CD2 4.39Å; G449-L460 VanDerWaalsContact C-CD1 3.48Å; I450-L460 HydrophobicContact CD1-CB 3.41Å; I450-L460 VanDerWaalsContact CD1-CB 3.41Å; I450-L460 HydrophobicContact CG1-CB 4.09Å; D453-L460 HydrophobicContact CB-CD1 4.45Å; N456-L460 HydrophobicContact CB-CD1 4.3Å; N456-L460 PolarHBondContact O-N 3.01Å; R457-L460 PolarHBondContact O-N 3.23Å; L460-E462 VanDerWaalsContact C-N 3.31Å; L460-E462 PolarHBondContact O-N 3.14Å; L460-L463 HydrophobicContact CD2-CD1 4.36Å; L460-L463 WeakPolarHBondContact O-CB 3.47Å; L460-L463 PolarHBondContact O-N 2.97Å; L460-L463 VanDerWaalsContact O-N 3.12Å
461	S	97.7	Very high	96.7	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.028	27%	0.267	C	S	.	.	H	α-helix	trans	-70.8	-28.1	-178.6	59.7	0	0	0	0	112.6	R457 K458 K459 L463 L464	R457-S461 WeakPolarHBondContact O-CB 3.5Å; R457-S461 PolarHBondContact O-N 3.14Å; R457-S461 PolarHBondContact O-OG 3.49Å; K458-S461 PolarHBondContact O-OG 2.95Å; K459-S461 VanDerWaalsContact C-N 3.26Å; K459-S461 PolarHBondContact O-N 3.2Å; S461-L463 PolarHBondContact O-N 2.72Å; S461-L464 WeakPolarHBondContact O-CB 3.46Å; S461-L464 PolarHBondContact O-N 2.6Å
462	E	97.2	Very high	96.4	Very high	87 Å²	87	51.7 Å²	51.7	41%	0.407	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-22.8	172.6	-62.9	171.4	-162.2	0	0	112.1	K459 L460 R465 F537	K459-E462 PolarHBondContact O-N 3.18Å; L460-E462 VanDerWaalsContact C-N 3.31Å; L460-E462 PolarHBondContact O-N 3.14Å; E462-R465 PolarHBondContact O-NH1 2.93Å; E462-F537 HydrophobicContact CG-CE2 4.18Å; E462-F537 HydrophobicContact CG-CZ 4.38Å
463	L	97.8	Very high	96.3	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.6	176.7	-58.2	177.3	0	0	0	113.2	F425 Y435 Y439 I446 L460 S461	F425-L463 HydrophobicContact CB-CD1 3.65Å; F425-L463 HydrophobicContact CB-CD2 4.1Å; F425-L463 HydrophobicContact CD2-CD1 3.98Å; F425-L463 HydrophobicContact CG-CD1 4.29Å; Y435-L463 HydrophobicContact CE2-CD2 4.3Å; Y435-L463 VanDerWaalsContact OH-C 3.29Å; Y435-L463 WeakPolarHBondContact OH-CA 3.47Å; Y435-L463 WeakPolarHBondContact OH-CB 3.43Å; Y435-L463 PolarHBondContact OH-O 3.2Å; Y439-L463 WeakPolarHBondContact CE2-O 3.32Å; I446-L463 HydrophobicContact CD1-CD1 4.39Å; I446-L463 HydrophobicContact CG2-CB 4.15Å; L460-L463 HydrophobicContact CD2-CD1 4.36Å; L460-L463 WeakPolarHBondContact O-CB 3.47Å; L460-L463 PolarHBondContact O-N 2.97Å; L460-L463 VanDerWaalsContact O-N 3.12Å; S461-L463 PolarHBondContact O-N 2.72Å
464	L	98.2	Very high	96.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.304	C	S	.	.			trans	-74.6	142.9	179.3	-64.6	171.1	0	0	0	111.2	I446 K447 I450 S461 Y466 S477 L478 L534	I446-L464 HydrophobicContact CG2-CD2 4.11Å; K447-L464 HydrophobicContact CG-CD2 3.91Å; I450-L464 HydrophobicContact CD1-CD1 4.46Å; I450-L464 HydrophobicContact CG1-CD1 4.39Å; S461-L464 WeakPolarHBondContact O-CB 3.46Å; S461-L464 PolarHBondContact O-N 2.6Å; L464-Y466 HydrophobicContact CB-CD2 4.3Å; L464-Y466 HydrophobicContact CB-CE2 3.59Å; L464-Y466 HydrophobicContact CD1-CE2 4.07Å; L464-Y466 HydrophobicContact CG-CE2 4.29Å; L464-S477 WeakPolarHBondContact O-CA 3.49Å; L464-L478 HydrophobicContact CB-CD1 4.38Å; L464-L478 HydrophobicContact CD1-CD1 4.07Å; L464-L534 HydrophobicContact CD1-CD2 3.77Å
465	R	97.9	Very high	96.1	Very high	38 Å²	38	56.8 Å²	56.8	14%	0.143	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.1	174.6	-59.8	-67.4	-180	-85.2	0.1	108.9	Y435 Y439 E462 M475 V476	Y435-R465 HydrophobicContact CD1-CG 4.35Å; Y435-R465 HydrophobicContact CE1-CG 3.69Å; Y435-R465 VanDerWaalsContact CE1-CZ 3.43Å; Y439-R465 HydrophobicContact CD1-CB 3.9Å; Y439-R465 HydrophobicContact CD1-CG 4.38Å; Y439-R465 HydrophobicContact CD2-CB 4.44Å; Y439-R465 HydrophobicContact CD2-CG 4.24Å; Y439-R465 HydrophobicContact CE1-CB 3.67Å; Y439-R465 HydrophobicContact CE1-CG 4.47Å; Y439-R465 WeakPolarHBondContact CE1-O 3.32Å; Y439-R465 HydrophobicContact CE2-CB 4.26Å; Y439-R465 HydrophobicContact CE2-CG 4.35Å; Y439-R465 HydrophobicContact CG-CB 4.28Å; Y439-R465 HydrophobicContact CG-CG 4.27Å; Y439-R465 VanDerWaalsContact CZ-N 3.32Å; Y439-R465 PolarHBondContact OH-N 2.75Å; Y439-R465 VanDerWaalsContact OH-N 3.14Å; Y439-R465 PolarHBondContact OH-O 2.76Å; E462-R465 PolarHBondContact O-NH1 2.93Å; R465-M475 HydrophobicContact CB-CB 3.86Å; R465-M475 HydrophobicContact CB-SD 4.15Å; R465-V476 WeakPolarHBondContact CA-O 3.37Å
466	Y	98.1	Very high	96.1	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.2	-178.1	-64.6	-75.6	0	0	0	111	L464 M475 V476 L478 I520 M522 D527	L464-Y466 HydrophobicContact CB-CD2 4.3Å; L464-Y466 HydrophobicContact CB-CE2 3.59Å; L464-Y466 HydrophobicContact CD1-CE2 4.07Å; L464-Y466 HydrophobicContact CG-CE2 4.29Å; Y466-M475 CarbonylContact O-C 3.59Å; Y466-M475 VanDerWaalsContact O-CA 3.27Å; Y466-M475 WeakPolarHBondContact O-CA 3.3Å; Y466-V476 PolarHBondContact N-O 3.33Å; Y466-V476 PolarHBondContact O-N 3.25Å; Y466-L478 HydrophobicContact CD2-CD2 4.28Å; Y466-L478 HydrophobicContact CE2-CD2 4.39Å; Y466-I520 VanDerWaalsContact CB-CG2 3.44Å; Y466-I520 HydrophobicContact CD1-CG2 4.23Å; Y466-I520 HydrophobicContact CD2-CG2 3.97Å; Y466-I520 HydrophobicContact CG-CG2 3.64Å; Y466-M522 HydrophobicContact CD1-CG 3.92Å; Y466-M522 HydrophobicContact CE1-CE 4.22Å; Y466-M522 HydrophobicContact CE1-CG 3.77Å; Y466-M522 HydrophobicContact CE2-CE 4.24Å; Y466-D527 WeakPolarHBondContact CE1-OD1 3.23Å
467	Y	97.8	Very high	96.1	Very high	57 Å²	57	49.2 Å²	49.2	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	149.7	162.9	-61.6	-68.5	0	0	0	109.6	D473 M475 K500 Y521 I523	Y467-D473 WeakPolarHBondContact CE1-O 3.3Å; Y467-M475 HydrophobicContact CD1-CG 3.85Å; Y467-M475 HydrophobicContact CD2-CE 4.07Å; Y467-M475 HydrophobicContact CD2-CG 4.24Å; Y467-M475 HydrophobicContact CE1-CE 4.4Å; Y467-M475 HydrophobicContact CE1-CG 3.6Å; Y467-M475 HydrophobicContact CE2-CE 3.33Å; Y467-M475 HydrophobicContact CE2-CG 4.04Å; Y467-M475 HydrophobicContact CG-CG 4.15Å; Y467-K500 HydrophobicContact CD2-CD 4.38Å; Y467-K500 HydrophobicContact CG-CD 4.27Å; Y467-Y521 PolarHBondContact O-N 2.82Å; Y467-I523 HydrophobicContact CD2-CD1 4.17Å; Y467-I523 HydrophobicContact CE2-CD1 4.13Å
468	T	97.8	Very high	96.1	Very high	4 Å²	4	47 Å²	47	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	168.4	173.6	77.3	0	0	0	0	110.9	A470 S471 V476 Y481 E518 V519 I520 Y521	T468-A470 PolarHBondContact O-N 3.06Å; T468-A470 VanDerWaalsContact O-N 3.12Å; T468-A470 PolarHBondContact OG1-N 3.28Å; T468-S471 PolarHBondContact N-OG 3.38Å; T468-S471 PolarHBondContact O-N 3.19Å; T468-S471 PolarHBondContact O-OG 3.42Å; T468-S471 WeakPolarHBondContact OG1-CB 3.44Å; T468-S471 PolarHBondContact OG1-N 2.83Å; T468-S471 VanDerWaalsContact OG1-N 3.11Å; T468-S471 PolarHBondContact OG1-OG 2.67Å; T468-V476 HydrophobicContact CG2-CG2 3.47Å; T468-V476 VanDerWaalsContact CG2-CG2 3.47Å; T468-Y481 HydrophobicContact CG2-CD2 4.49Å; T468-E518 WeakPolarHBondContact CB-OE1 3.41Å; T468-E518 HydrophobicContact CG2-CG 4.46Å; T468-E518 WeakPolarHBondContact CG2-OE1 3.49Å; T468-E518 PolarHBondContact OG1-OE1 3.26Å; T468-V519 CarbonylContact C-O 3.58Å; T468-V519 WeakPolarHBondContact CA-O 3.27Å; T468-V519 WeakPolarHBondContact CB-O 3.26Å; T468-I520 HydrophobicContact CG2-CG1 4.17Å; T468-Y521 VanDerWaalsContact C-CE2 3.46Å
469	S	96.3	Very high	96.2	Very high	40 Å²	40	45 Å²	45	28%	0.28	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.3	173.9	64	0	0	0	0	114	E518 V519 Y521	S469-E518 WeakPolarHBondContact OG-CA 3.41Å; S469-V519 PolarHBondContact N-O 2.94Å; S469-V519 PolarHBondContact OG-N 3.06Å; S469-Y521 VanDerWaalsContact CA-OH 3.32Å; S469-Y521 WeakPolarHBondContact CA-OH 3.39Å; S469-Y521 WeakPolarHBondContact CB-OH 3.49Å
470	A	94.8	Very high	96.2	Very high	70 Å²	70	43.8 Å²	43.8	58%	0.579	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-17.2	-178.1	0	0	0	0	0	113.4	T468 E518	T468-A470 PolarHBondContact O-N 3.06Å; T468-A470 VanDerWaalsContact O-N 3.12Å; T468-A470 PolarHBondContact OG1-N 3.28Å; A470-E518 HydrophobicContact CB-CG 3.94Å
471	S	92.9	Very high	96.2	Very high	24 Å²	24	43.9 Å²	43.9	17%	0.168	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.9	-171.2	75	0	0	0	0	114.8	T468 D473 E474	T468-S471 PolarHBondContact N-OG 3.38Å; T468-S471 PolarHBondContact O-N 3.19Å; T468-S471 PolarHBondContact O-OG 3.42Å; T468-S471 WeakPolarHBondContact OG1-CB 3.44Å; T468-S471 PolarHBondContact OG1-N 2.83Å; T468-S471 VanDerWaalsContact OG1-N 3.11Å; T468-S471 PolarHBondContact OG1-OG 2.67Å; S471-D473 PolarHBondContact O-N 2.98Å; S471-E474 WeakPolarHBondContact CB-O 3.24Å; S471-E474 PolarHBondContact O-N 3.43Å; S471-E474 PolarHBondContact OG-O 2.97Å
472	G	91.5	Very high	96.1	Very high	43 Å²	43	45 Å²	45	44%	0.443	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-126.3	-176.1	0	0	0	0	0	110.7	K500	G472-K500 WeakPolarHBondContact O-CE 3.38Å; G472-K500 PolarHBondContact O-NZ 3.18Å
473	D	91.4	Very high	96	Very high	136 Å²	136	46 Å²	46	73%	0.727	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	8.6	-179.4	-63.2	-37.7	0	0	0	114.3	Y467 S471 K500	Y467-D473 WeakPolarHBondContact CE1-O 3.3Å; S471-D473 PolarHBondContact O-N 2.98Å; D473-K500 IonicContact OD1-NZ 3.5Å; D473-K500 PolarHBondContact OD1-NZ 2.85Å
474	E	93.7	Very high	95.9	Very high	112 Å²	112	51 Å²	51	52%	0.523	28%	0.278	S	S	.	.	S	Bend	trans	-98.2	140.8	170.2	-65	-161.4	176.3	0	0	111	K432 S471	K432-E474 IonicContact NZ-OE1 2.68Å; K432-E474 IonicContact NZ-OE2 3.35Å; K432-E474 PolarHBondContact NZ-OE2 3.36Å; S471-E474 WeakPolarHBondContact CB-O 3.24Å; S471-E474 PolarHBondContact O-N 3.43Å; S471-E474 PolarHBondContact OG-O 2.97Å
475	M	95.1	Very high	95.8	Very high	71 Å²	71	52.1 Å²	52.1	35%	0.35	28%	0.284	S	S	.	.			trans	-83.9	141.5	166.9	-62.3	-173.7	-177	0	0	110.1	Y439 R465 Y466 Y467	Y439-M475 HydrophobicContact CD1-SD 4.07Å; Y439-M475 HydrophobicContact CE1-SD 3.99Å; R465-M475 HydrophobicContact CB-CB 3.86Å; R465-M475 HydrophobicContact CB-SD 4.15Å; Y466-M475 CarbonylContact O-C 3.59Å; Y466-M475 VanDerWaalsContact O-CA 3.27Å; Y466-M475 WeakPolarHBondContact O-CA 3.3Å; Y467-M475 HydrophobicContact CD1-CG 3.85Å; Y467-M475 HydrophobicContact CD2-CE 4.07Å; Y467-M475 HydrophobicContact CD2-CG 4.24Å; Y467-M475 HydrophobicContact CE1-CE 4.4Å; Y467-M475 HydrophobicContact CE1-CG 3.6Å; Y467-M475 HydrophobicContact CE2-CE 3.33Å; Y467-M475 HydrophobicContact CE2-CG 4.04Å; Y467-M475 HydrophobicContact CG-CG 4.15Å
476	V	96.5	Very high	95.5	Very high	23 Å²	23	54.5 Å²	54.5	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.4	-179.7	-64.1	0	0	0	0	110.6	R465 Y466 T468 D480	R465-V476 WeakPolarHBondContact CA-O 3.37Å; Y466-V476 PolarHBondContact N-O 3.33Å; Y466-V476 PolarHBondContact O-N 3.25Å; T468-V476 HydrophobicContact CG2-CG2 3.47Å; T468-V476 VanDerWaalsContact CG2-CG2 3.47Å; V476-D480 HydrophobicContact CB-CB 4.3Å
477	S	97.4	Very high	95	Very high	10 Å²	10	62.6 Å²	62.6	7%	0.07	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	161.8	177.2	73.3	0	0	0	0	112.2	L464 K479 D480 Y481	L464-S477 WeakPolarHBondContact O-CA 3.49Å; S477-K479 PolarHBondContact O-N 3.43Å; S477-K479 PolarHBondContact OG-N 3.07Å; S477-D480 WeakPolarHBondContact CB-OD2 3.14Å; S477-D480 PolarHBondContact N-OD2 3.35Å; S477-D480 PolarHBondContact O-N 3.29Å; S477-D480 PolarHBondContact OG-N 3.04Å; S477-D480 PolarHBondContact OG-OD2 2.92Å; S477-Y481 PolarHBondContact O-N 2.88Å; S477-Y481 VanDerWaalsContact O-N 3.11Å
478	L	97.3	Very high	94.5	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-60.8	-33.5	170.1	-68.3	175	0	0	0	111.7	L464 Y466 Y481 V482 I520 L534 F537	L464-L478 HydrophobicContact CB-CD1 4.38Å; L464-L478 HydrophobicContact CD1-CD1 4.07Å; Y466-L478 HydrophobicContact CD2-CD2 4.28Å; Y466-L478 HydrophobicContact CE2-CD2 4.39Å; L478-Y481 WeakPolarHBondContact O-CB 3.16Å; L478-Y481 PolarHBondContact O-N 2.8Å; L478-V482 WeakPolarHBondContact O-CG2 3.28Å; L478-V482 PolarHBondContact O-N 2.97Å; L478-I520 HydrophobicContact CD2-CD1 3.45Å; L478-I520 VanDerWaalsContact CD2-CD1 3.45Å; L478-L534 HydrophobicContact CD1-CD2 3.89Å; L478-F537 HydrophobicContact CB-CD1 3.81Å; L478-F537 HydrophobicContact CB-CD2 4.21Å; L478-F537 HydrophobicContact CB-CE1 3.62Å; L478-F537 HydrophobicContact CB-CE2 4.04Å; L478-F537 HydrophobicContact CB-CG 4.11Å; L478-F537 HydrophobicContact CB-CZ 3.74Å; L478-F537 HydrophobicContact CD1-CD2 3.81Å; L478-F537 HydrophobicContact CD1-CE2 4.15Å; L478-F537 HydrophobicContact CD1-CG 4.08Å
479	K	96.3	Very high	94.2	Very high	121 Å²	121	64.4 Å²	64.4	53%	0.526	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-46.1	175.8	-169.7	176.1	-176.7	177.7	0	111.3	S477 Y481 V482 T483 F537	S477-K479 PolarHBondContact O-N 3.43Å; S477-K479 PolarHBondContact OG-N 3.07Å; K479-Y481 VanDerWaalsContact C-N 3.28Å; K479-Y481 PolarHBondContact O-N 3.36Å; K479-V482 PolarHBondContact O-N 2.67Å; K479-V482 VanDerWaalsContact O-N 3.08Å; K479-T483 WeakPolarHBondContact O-CG2 3.4Å; K479-T483 PolarHBondContact O-N 2.61Å; K479-F537 HydrophobicContact CB-CE1 4.48Å; K479-F537 HydrophobicContact CB-CZ 4.45Å
480	D	95.9	Very high	93.9	Very high	66 Å²	66	69.6 Å²	69.6	35%	0.353	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176.9	-57.5	-42.1	0	0	0	111.1	V476 S477 T483 R484	V476-D480 HydrophobicContact CB-CB 4.3Å; S477-D480 WeakPolarHBondContact CB-OD2 3.14Å; S477-D480 PolarHBondContact N-OD2 3.35Å; S477-D480 PolarHBondContact O-N 3.29Å; S477-D480 PolarHBondContact OG-N 3.04Å; S477-D480 PolarHBondContact OG-OD2 2.92Å; D480-T483 PolarHBondContact O-N 3.01Å; D480-T483 PolarHBondContact O-OG1 3.04Å; D480-R484 PolarHBondContact O-N 3.16Å; D480-R484 PolarHBondContact O-NH1 3.43Å
481	Y	97.6	Very high	93.9	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-58.2	-48.5	172.6	177.4	-76.1	0	0	0	111.4	T468 S477 L478 K479 T483 R484 M485 Q489 I492 Y493 E518 I520	T468-Y481 HydrophobicContact CG2-CD2 4.49Å; S477-Y481 PolarHBondContact O-N 2.88Å; S477-Y481 VanDerWaalsContact O-N 3.11Å; L478-Y481 WeakPolarHBondContact O-CB 3.16Å; L478-Y481 PolarHBondContact O-N 2.8Å; K479-Y481 VanDerWaalsContact C-N 3.28Å; K479-Y481 PolarHBondContact O-N 3.36Å; Y481-T483 VanDerWaalsContact C-N 3.28Å; Y481-T483 PolarHBondContact O-N 3.38Å; Y481-R484 CarbonylContact O-C 3.48Å; Y481-R484 PolarHBondContact O-N 2.86Å; Y481-M485 HydrophobicContact CD1-CG 3.94Å; Y481-M485 HydrophobicContact CD1-SD 4.26Å; Y481-M485 HydrophobicContact CE1-CG 3.64Å; Y481-M485 HydrophobicContact CE1-SD 3.98Å; Y481-M485 PolarHBondContact O-N 2.73Å; Y481-M485 VanDerWaalsContact O-N 3.16Å; Y481-Q489 PolarHBondContact OH-NE2 2.83Å; Y481-I492 HydrophobicContact CD1-CG1 4.09Å; Y481-I492 HydrophobicContact CD1-CG2 4.07Å; Y481-I492 HydrophobicContact CE1-CB 3.97Å; Y481-I492 HydrophobicContact CE1-CG1 3.79Å; Y481-I492 HydrophobicContact CE1-CG2 3.74Å; Y481-Y493 PolarHBondContact OH-N 2.96Å; Y481-E518 HydrophobicContact CD2-CB 4.14Å; Y481-E518 HydrophobicContact CD2-CG 3.79Å; Y481-E518 HydrophobicContact CE2-CB 3.65Å; Y481-E518 HydrophobicContact CE2-CG 3.7Å; Y481-E518 WeakPolarHBondContact CE2-O 3.33Å; Y481-E518 PolarHBondContact OH-O 2.68Å; Y481-I520 HydrophobicContact CD2-CD1 3.99Å; Y481-I520 HydrophobicContact CD2-CG1 3.68Å; Y481-I520 HydrophobicContact CE2-CD1 4.27Å; Y481-I520 HydrophobicContact CE2-CG1 3.78Å; Y481-I520 HydrophobicContact CG-CD1 4.23Å; Y481-I520 HydrophobicContact CG-CG1 4.42Å
482	V	96.6	Very high	94.1	Very high	29 Å²	29	67 Å²	67	18%	0.176	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-39.4	-179.7	171.9	0	0	0	0	111.5	L478 K479 R484 M485 I492 F537	L478-V482 WeakPolarHBondContact O-CG2 3.28Å; L478-V482 PolarHBondContact O-N 2.97Å; K479-V482 PolarHBondContact O-N 2.67Å; K479-V482 VanDerWaalsContact O-N 3.08Å; V482-R484 PolarHBondContact O-N 2.98Å; V482-M485 HydrophobicContact CB-SD 4.28Å; V482-M485 HydrophobicContact CG1-SD 4.29Å; V482-M485 HydrophobicContact CG2-SD 4.04Å; V482-M485 WeakPolarHBondContact O-CB 3.41Å; V482-M485 PolarHBondContact O-N 2.81Å; V482-I492 HydrophobicContact CG2-CD1 4.09Å; V482-F537 HydrophobicContact CG2-CD1 3.94Å; V482-F537 HydrophobicContact CG2-CE1 4.18Å
483	T	96.1	Very high	94.4	Very high	108 Å²	108	65.2 Å²	65.2	66%	0.663	32%	0.323	S	S	*	.	H	α-helix	trans	-65	-21.6	176.7	66.4	0	0	0	0	114.3	K479 D480 Y481	K479-T483 WeakPolarHBondContact O-CG2 3.4Å; K479-T483 PolarHBondContact O-N 2.61Å; D480-T483 PolarHBondContact O-N 3.01Å; D480-T483 PolarHBondContact O-OG1 3.04Å; Y481-T483 VanDerWaalsContact C-N 3.28Å; Y481-T483 PolarHBondContact O-N 3.38Å
484	R	95.4	Very high	94.7	Very high	107 Å²	107	59.6 Å²	59.6	40%	0.404	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.2	177.9	-65.8	-171.9	-61.1	-86.5	-0.1	113.5	D480 Y481 V482 E518	D480-R484 PolarHBondContact O-N 3.16Å; D480-R484 PolarHBondContact O-NH1 3.43Å; Y481-R484 CarbonylContact O-C 3.48Å; Y481-R484 PolarHBondContact O-N 2.86Å; V482-R484 PolarHBondContact O-N 2.98Å; R484-E518 IonicContact CZ-OE1 3.23Å; R484-E518 IonicContact CZ-OE2 2.68Å; R484-E518 IonicContact NE-OE1 3.92Å; R484-E518 IonicContact NE-OE2 2.66Å; R484-E518 PolarHBondContact NE-OE2 3.44Å; R484-E518 IonicContact NH2-OE1 2.85Å; R484-E518 PolarHBondContact NH2-OE1 3.34Å; R484-E518 IonicContact NH2-OE2 2.76Å; R484-E518 PolarHBondContact NH2-OE2 3.43Å
485	M	94.9	Very high	94.9	Very high	25 Å²	25	54.5 Å²	54.5	12%	0.123	27%	0.268	C	S	.	.			trans	-62	140.9	175.8	-73.3	178.4	71.1	0	0	110.5	Y481 V482 Q489 H491 I492 K540	Y481-M485 HydrophobicContact CD1-CG 3.94Å; Y481-M485 HydrophobicContact CD1-SD 4.26Å; Y481-M485 HydrophobicContact CE1-CG 3.64Å; Y481-M485 HydrophobicContact CE1-SD 3.98Å; Y481-M485 PolarHBondContact O-N 2.73Å; Y481-M485 VanDerWaalsContact O-N 3.16Å; V482-M485 HydrophobicContact CB-SD 4.28Å; V482-M485 HydrophobicContact CG1-SD 4.29Å; V482-M485 HydrophobicContact CG2-SD 4.04Å; V482-M485 WeakPolarHBondContact O-CB 3.41Å; V482-M485 PolarHBondContact O-N 2.81Å; M485-Q489 HydrophobicContact CB-CB 4.47Å; M485-Q489 HydrophobicContact CE-CB 4.15Å; M485-Q489 HydrophobicContact CE-CG 3.69Å; M485-Q489 WeakPolarHBondContact CE-O 3.36Å; M485-H491 WeakPolarHBondContact CE-O 3.29Å; M485-I492 HydrophobicContact SD-CG1 4.28Å; M485-K540 HydrophobicContact CE-CD 3.96Å; M485-K540 HydrophobicContact CE-CG 4.13Å; M485-K540 HydrophobicContact SD-CD 4.45Å; M485-K540 HydrophobicContact SD-CG 4.09Å
486	K	92.3	Very high	95	Very high	87 Å²	87	51.7 Å²	51.7	38%	0.378	26%	0.255	S	S	.	.			trans	-69.8	154.2	174.1	-60.1	-171	175.2	-175.2	0	111.1	N488 Q489 A515 G516 L517	K486-N488 WeakPolarHBondContact CB-OD1 3.29Å; K486-N488 PolarHBondContact O-N 2.83Å; K486-Q489 HydrophobicContact CB-CB 4.12Å; K486-Q489 WeakPolarHBondContact O-CB 3.46Å; K486-Q489 PolarHBondContact O-N 2.87Å; K486-A515 PolarHBondContact NZ-O 3.41Å; K486-G516 WeakPolarHBondContact CE-O 3.45Å; K486-G516 PolarHBondContact NZ-O 2.65Å; K486-L517 HydrophobicContact CD-CD2 4.02Å; K486-L517 HydrophobicContact CG-CD2 4.42Å
487	D	87.8	Confident	94.8	Very high	178 Å²	178	50.9 Å²	50.9	95%	0.952	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.8	179.6	-64.6	-23.8	0	0	0	113.3	Q489	D487-Q489 VanDerWaalsContact C-N 3.33Å
488	N	86.3	Confident	94.5	Very high	94 Å²	94	54.9 Å²	54.9	50%	0.503	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.8	177.4	66	-12	0	0	0	113.9	K486 P553	K486-N488 WeakPolarHBondContact CB-OD1 3.29Å; K486-N488 PolarHBondContact O-N 2.83Å; N488-P553 HydrophobicContact CB-CB 4.31Å; N488-P553 VanDerWaalsContact ND2-CB 3.28Å; N488-P553 WeakPolarHBondContact ND2-CB 3.46Å
489	Q	91.4	Very high	94.4	Very high	5 Å²	5	58.1 Å²	58.1	2%	0.023	29%	0.289	C	S	.	.			trans	-89.4	116.3	-178.2	-170.3	-179.8	-14.8	0	0	111.5	Y481 M485 K486 D487 H491 Y493 L517	Y481-Q489 PolarHBondContact OH-NE2 2.83Å; M485-Q489 HydrophobicContact CB-CB 4.47Å; M485-Q489 HydrophobicContact CE-CB 4.15Å; M485-Q489 HydrophobicContact CE-CG 3.69Å; M485-Q489 WeakPolarHBondContact CE-O 3.36Å; K486-Q489 HydrophobicContact CB-CB 4.12Å; K486-Q489 WeakPolarHBondContact O-CB 3.46Å; K486-Q489 PolarHBondContact O-N 2.87Å; D487-Q489 VanDerWaalsContact C-N 3.33Å; Q489-H491 WeakPolarHBondContact CG-O 3.19Å; Q489-H491 PolarHBondContact NE2-O 2.9Å; Q489-Y493 HydrophobicContact CG-CE2 3.93Å; Q489-L517 HydrophobicContact CB-CD2 4.39Å; Q489-L517 HydrophobicContact CG-CD2 4.18Å
490	K	89.7	Confident	94.4	Very high	149 Å²	149	54.4 Å²	54.4	65%	0.648	27%	0.272	S	S	*	.			trans	-93.6	-20.9	-179.4	-64.5	-179.8	-177.6	174.2	0	114	K540	K490-K540 WeakPolarHBondContact O-CD 3.46Å
491	H	95.2	Very high	94.3	Very high	40 Å²	40	56.8 Å²	56.8	19%	0.185	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.1	-167.7	-58.4	-49.4	0	0	0	112.7	M485 Q489 Y493 N541 V543	M485-H491 WeakPolarHBondContact CE-O 3.29Å; Q489-H491 WeakPolarHBondContact CG-O 3.19Å; Q489-H491 PolarHBondContact NE2-O 2.9Å; H491-Y493 HydrophobicContact CB-CE1 4.27Å; H491-N541 WeakPolarHBondContact CA-O 3.48Å; H491-V543 HydrophobicContact CB-CB 4.25Å; H491-V543 HydrophobicContact CB-CG2 3.71Å
492	I	97.1	Very high	94.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117	169.1	-61.7	172.6	0	0	0	107	Y481 V482 M485 I520 F537 K540 N541 L542 V543	Y481-I492 HydrophobicContact CD1-CG1 4.09Å; Y481-I492 HydrophobicContact CD1-CG2 4.07Å; Y481-I492 HydrophobicContact CE1-CB 3.97Å; Y481-I492 HydrophobicContact CE1-CG1 3.79Å; Y481-I492 HydrophobicContact CE1-CG2 3.74Å; V482-I492 HydrophobicContact CG2-CD1 4.09Å; M485-I492 HydrophobicContact SD-CG1 4.28Å; I492-I520 HydrophobicContact CG2-CD1 3.47Å; I492-I520 VanDerWaalsContact CG2-CD1 3.47Å; I492-I520 HydrophobicContact CG2-CG1 4.34Å; I492-F537 HydrophobicContact CD1-CB 3.93Å; I492-F537 HydrophobicContact CD1-CD1 4.29Å; I492-K540 HydrophobicContact CD1-CB 4.04Å; I492-K540 HydrophobicContact CG1-CB 3.95Å; I492-N541 PolarHBondContact N-O 3.03Å; I492-L542 HydrophobicContact CB-CG 4.25Å; I492-L542 HydrophobicContact CD1-CD1 4.32Å; I492-L542 HydrophobicContact CG2-CG 4.36Å; I492-L542 WeakPolarHBondContact O-CA 3.42Å; I492-V543 PolarHBondContact O-N 3.47Å
493	Y	97.6	Very high	94.1	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.1	-178.4	-60.9	-69.8	0	0	0	109.9	Y481 Q489 H491 L512 L517 V519 I520 V543 V545 L550 E551	Y481-Y493 PolarHBondContact OH-N 2.96Å; Q489-Y493 HydrophobicContact CG-CE2 3.93Å; H491-Y493 HydrophobicContact CB-CE1 4.27Å; Y493-L512 HydrophobicContact CD1-CD2 3.83Å; Y493-L512 HydrophobicContact CD2-CD2 3.79Å; Y493-L512 HydrophobicContact CE1-CD2 4.36Å; Y493-L512 HydrophobicContact CE2-CD2 4.33Å; Y493-L512 HydrophobicContact CG-CD2 3.51Å; Y493-L517 HydrophobicContact CD2-CB 4.47Å; Y493-L517 HydrophobicContact CE2-CD1 3.98Å; Y493-L517 HydrophobicContact CE2-CD2 4.39Å; Y493-V519 WeakPolarHBondContact O-CA 3.35Å; Y493-I520 PolarHBondContact O-N 2.96Å; Y493-V543 WeakPolarHBondContact CA-O 3.33Å; Y493-V543 HydrophobicContact CD1-CB 4.41Å; Y493-V545 HydrophobicContact CD1-CG1 4.36Å; Y493-L550 HydrophobicContact CD1-CD1 3.85Å; Y493-L550 HydrophobicContact CE1-CD1 3.7Å; Y493-E551 PolarHBondContact OH-O 2.84Å
494	Y	97.9	Very high	94.1	Very high	19 Å²	19	54.9 Å²	54.9	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159	177	74.1	-89.8	0	0	0	112	T496 I520 M522 V531 L542 V543 S544 V545	Y494-T496 HydrophobicContact CD2-CG2 4.16Å; Y494-T496 HydrophobicContact CE2-CG2 4.06Å; Y494-I520 CarbonylContact C-O 3.45Å; Y494-I520 WeakPolarHBondContact CA-O 3.49Å; Y494-M522 HydrophobicContact CD2-CE 4.24Å; Y494-M522 HydrophobicContact CD2-SD 3.61Å; Y494-M522 HydrophobicContact CE2-SD 4.23Å; Y494-M522 HydrophobicContact CG-CE 4.15Å; Y494-M522 HydrophobicContact CG-SD 4.12Å; Y494-V531 HydrophobicContact CD2-CG1 4.49Å; Y494-V531 HydrophobicContact CE2-CB 4.23Å; Y494-V531 HydrophobicContact CE2-CG1 4.18Å; Y494-V531 HydrophobicContact CE2-CG2 3.93Å; Y494-L542 HydrophobicContact CD1-CB 4.01Å; Y494-L542 HydrophobicContact CE1-CB 3.81Å; Y494-V543 WeakPolarHBondContact CD1-O 3.32Å; Y494-V543 VanDerWaalsContact CE1-C 3.44Å; Y494-V543 PolarHBondContact N-O 3.17Å; Y494-S544 VanDerWaalsContact CE1-N 3.33Å; Y494-S544 WeakPolarHBondContact O-CA 3.47Å; Y494-V545 WeakPolarHBondContact O-CG2 3.37Å; Y494-V545 PolarHBondContact O-N 2.66Å
495	I	97.6	Very high	94	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.3	171	-176.6	166.3	0	0	0	109.3	V503 F508 V509 V519 I520 Y521 M522 V545 T546	I495-V503 HydrophobicContact CD1-CB 4.1Å; I495-V503 HydrophobicContact CD1-CG1 4.33Å; I495-V503 HydrophobicContact CG1-CB 4.12Å; I495-V503 HydrophobicContact CG1-CG1 4.06Å; I495-V503 HydrophobicContact CG2-CB 3.75Å; I495-V503 HydrophobicContact CG2-CG1 4.38Å; I495-V503 HydrophobicContact CG2-CG2 4.24Å; I495-F508 HydrophobicContact CD1-CB 4.23Å; I495-F508 HydrophobicContact CD1-CD2 4.3Å; I495-V509 HydrophobicContact CB-CG1 4.43Å; I495-V509 HydrophobicContact CD1-CG1 4.13Å; I495-V509 HydrophobicContact CG2-CG1 4.04Å; I495-V519 HydrophobicContact CB-CG1 4.47Å; I495-V519 HydrophobicContact CG2-CG1 3.94Å; I495-I520 PolarHBondContact N-O 2.89Å; I495-Y521 HydrophobicContact CG2-CD1 3.47Å; I495-Y521 VanDerWaalsContact CG2-CD1 3.47Å; I495-Y521 HydrophobicContact CG2-CE1 3.85Å; I495-M522 PolarHBondContact O-N 3.38Å; I495-V545 HydrophobicContact CB-CG2 3.68Å; I495-V545 HydrophobicContact CD1-CG2 4.11Å; I495-V545 HydrophobicContact CG1-CG2 4.14Å; I495-T546 HydrophobicContact CD1-CG2 4.21Å; I495-T546 HydrophobicContact CG1-CG2 3.9Å
496	T	97.1	Very high	94.1	Very high	12 Å²	12	55.5 Å²	55.5	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.6	173.5	53	0	0	0	0	110.3	Y494 M522 E528	Y494-T496 HydrophobicContact CD2-CG2 4.16Å; Y494-T496 HydrophobicContact CE2-CG2 4.06Å; T496-M522 CarbonylContact C-O 3.54Å; T496-M522 VanDerWaalsContact CA-O 3.27Å; T496-M522 WeakPolarHBondContact CA-O 3.47Å; T496-M522 HydrophobicContact CG2-CB 3.76Å; T496-M522 HydrophobicContact CG2-SD 4.02Å; T496-E528 VanDerWaalsContact CB-OE1 3.23Å; T496-E528 WeakPolarHBondContact CB-OE1 3.23Å; T496-E528 HydrophobicContact CG2-CG 4.21Å; T496-E528 PolarHBondContact OG1-OE1 3.46Å
497	G	93.9	Very high	94.2	Very high	6 Å²	6	52 Å²	52	6%	0.062	27%	0.27	C	S	.	.			trans	-171.7	-167.6	176.3	0	0	0	0	0	112.8	M522 I523	G497-M522 PolarHBondContact N-O 3.45Å; G497-I523 WeakPolarHBondContact O-CA 3.23Å
498	E	90.8	Very high	94.5	Very high	95 Å²	95	43.9 Å²	43.9	44%	0.444	23%	0.226	S	C	.	.	S	Bend	trans	-85.8	-38	-176.9	-62.3	-171.2	151.7	0	0	112.8	R613	E498-R613 WeakPolarHBondContact OE1-CD 3.21Å; E498-R613 IonicContact OE1-CZ 2.83Å; E498-R613 IonicContact OE1-NE 2.67Å; E498-R613 PolarHBondContact OE1-NE 2.81Å; E498-R613 VanDerWaalsContact OE1-NE 3.11Å; E498-R613 IonicContact OE1-NH1 2.68Å; E498-R613 PolarHBondContact OE1-NH1 2.9Å; E498-R613 IonicContact OE1-NH2 3.75Å
499	T	95.1	Very high	94.9	Very high	70 Å²	70	39.4 Å²	39.4	43%	0.429	20%	0.202	S	C	.	.			trans	-140.5	157.1	-176	69.8	0	0	0	0	111.1	D501 Q502 V503	T499-D501 VanDerWaalsContact C-N 3.31Å; T499-D501 PolarHBondContact O-N 3.28Å; T499-Q502 PolarHBondContact O-N 3.38Å; T499-Q502 VanDerWaalsContact OG1-CB 3.3Å; T499-Q502 WeakPolarHBondContact OG1-CB 3.18Å; T499-Q502 PolarHBondContact OG1-N 2.91Å; T499-V503 WeakPolarHBondContact O-CG2 3.34Å; T499-V503 PolarHBondContact O-N 3.45Å
500	K	95.3	Very high	95	Very high	43 Å²	43	41.3 Å²	41.3	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-45.1	176.2	-177.3	-178	176.1	-180	0	111.3	Y467 G472 D473 Q502 V503 A504 Y521 I523	Y467-K500 HydrophobicContact CD2-CD 4.38Å; Y467-K500 HydrophobicContact CG-CD 4.27Å; G472-K500 WeakPolarHBondContact O-CE 3.38Å; G472-K500 PolarHBondContact O-NZ 3.18Å; D473-K500 IonicContact OD1-NZ 3.5Å; D473-K500 PolarHBondContact OD1-NZ 2.85Å; K500-Q502 PolarHBondContact O-N 3.33Å; K500-V503 WeakPolarHBondContact O-CG2 3.43Å; K500-V503 PolarHBondContact O-N 3.24Å; K500-A504 WeakPolarHBondContact O-CB 3.33Å; K500-A504 PolarHBondContact O-N 2.87Å; K500-Y521 HydrophobicContact CG-CD2 4.46Å; K500-I523 HydrophobicContact CB-CG2 4.45Å
501	D	95.1	Very high	95.1	Very high	115 Å²	115	37 Å²	37	62%	0.615	19%	0.191	S	C	*	.	H	α-helix	trans	-66.1	-37.8	-178.1	-65.5	-24.4	0	0	0	112.4	T499 N505	T499-D501 VanDerWaalsContact C-N 3.31Å; T499-D501 PolarHBondContact O-N 3.28Å; D501-N505 WeakPolarHBondContact O-CB 3.32Å; D501-N505 PolarHBondContact O-N 2.66Å; D501-N505 PolarHBondContact O-ND2 3Å
502	Q	94.6	Very high	95	Very high	83 Å²	83	35.1 Å²	35.1	39%	0.388	18%	0.182	S	C	.	.	H	α-helix	trans	-61.9	-52.1	176.4	-179.2	-171.1	53.2	0	0	111	T499 K500 A504 N505 S506	T499-Q502 PolarHBondContact O-N 3.38Å; T499-Q502 VanDerWaalsContact OG1-CB 3.3Å; T499-Q502 WeakPolarHBondContact OG1-CB 3.18Å; T499-Q502 PolarHBondContact OG1-N 2.91Å; K500-Q502 PolarHBondContact O-N 3.33Å; Q502-A504 VanDerWaalsContact C-N 3.33Å; Q502-A504 PolarHBondContact O-N 2.66Å; Q502-N505 PolarHBondContact O-N 2.91Å; Q502-S506 PolarHBondContact O-N 2.77Å; Q502-S506 VanDerWaalsContact O-N 3.17Å
503	V	95.3	Very high	94.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-72.3	-30.3	-177.9	-60.2	0	0	0	0	112.2	I495 T499 K500 S506 Y521 I523	I495-V503 HydrophobicContact CD1-CB 4.1Å; I495-V503 HydrophobicContact CD1-CG1 4.33Å; I495-V503 HydrophobicContact CG1-CB 4.12Å; I495-V503 HydrophobicContact CG1-CG1 4.06Å; I495-V503 HydrophobicContact CG2-CB 3.75Å; I495-V503 HydrophobicContact CG2-CG1 4.38Å; I495-V503 HydrophobicContact CG2-CG2 4.24Å; T499-V503 WeakPolarHBondContact O-CG2 3.34Å; T499-V503 PolarHBondContact O-N 3.45Å; K500-V503 WeakPolarHBondContact O-CG2 3.43Å; K500-V503 PolarHBondContact O-N 3.24Å; V503-S506 WeakPolarHBondContact O-CB 3.49Å; V503-S506 PolarHBondContact O-N 3.36Å; V503-Y521 HydrophobicContact CB-CD1 4.31Å; V503-Y521 HydrophobicContact CG2-CD1 3.59Å; V503-Y521 HydrophobicContact CG2-CE1 4.33Å; V503-Y521 HydrophobicContact CG2-CG 3.75Å; V503-I523 HydrophobicContact CG2-CG2 4.3Å
504	A	95.3	Very high	94.4	Very high	14 Å²	14	46.6 Å²	46.6	12%	0.116	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-35.2	174.1	0	0	0	0	0	111.8	K500 Q502 S506 R513 Y521	K500-A504 WeakPolarHBondContact O-CB 3.33Å; K500-A504 PolarHBondContact O-N 2.87Å; Q502-A504 VanDerWaalsContact C-N 3.33Å; Q502-A504 PolarHBondContact O-N 2.66Å; A504-S506 VanDerWaalsContact C-N 3.31Å; A504-R513 VanDerWaalsContact C-NH2 3.29Å; A504-R513 VanDerWaalsContact CB-NH2 3.33Å; A504-R513 PolarHBondContact O-NH1 2.66Å; A504-R513 PolarHBondContact O-NH2 3.23Å; A504-Y521 HydrophobicContact CB-CE2 4.29Å
505	N	94.3	Very high	94	Very high	127 Å²	127	47.8 Å²	47.8	68%	0.679	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	10.9	178.1	-64.5	-51.1	0	0	0	113	D501 Q502	D501-N505 WeakPolarHBondContact O-CB 3.32Å; D501-N505 PolarHBondContact O-N 2.66Å; D501-N505 PolarHBondContact O-ND2 3Å; Q502-N505 PolarHBondContact O-N 2.91Å
506	S	95.4	Very high	93.7	Very high	17 Å²	17	49.7 Å²	49.7	12%	0.119	26%	0.264	C	S	.	.			trans	-70.8	139.4	-179.4	-175.7	0	0	0	0	112.3	Q502 V503 A504 F508 V509	Q502-S506 PolarHBondContact O-N 2.77Å; Q502-S506 VanDerWaalsContact O-N 3.17Å; V503-S506 WeakPolarHBondContact O-CB 3.49Å; V503-S506 PolarHBondContact O-N 3.36Å; A504-S506 VanDerWaalsContact C-N 3.31Å; S506-F508 PolarHBondContact O-N 2.95Å; S506-F508 VanDerWaalsContact O-N 3.09Å; S506-F508 WeakPolarHBondContact OG-CD2 3.24Å; S506-F508 PolarHBondContact OG-N 3.18Å; S506-V509 VanDerWaalsContact O-CG2 3.25Å; S506-V509 WeakPolarHBondContact O-CG2 3.26Å; S506-V509 PolarHBondContact O-N 3.43Å; S506-V509 VanDerWaalsContact O-N 3.15Å
507	A	94.3	Very high	93.6	Very high	15 Å²	15	49.3 Å²	49.3	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-25.8	172.6	0	0	0	0	0	112.9	V509 L593	A507-V509 VanDerWaalsContact C-N 3.27Å; A507-V509 PolarHBondContact O-N 3.49Å; A507-L593 HydrophobicContact CB-CD2 3.93Å
508	F	95.6	Very high	93.7	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-23.1	-179.6	-63.9	-60.2	0	0	0	114.3	I495 S506 L512 V545 T546 C599 I600 V601 S675	I495-F508 HydrophobicContact CD1-CB 4.23Å; I495-F508 HydrophobicContact CD1-CD2 4.3Å; S506-F508 PolarHBondContact O-N 2.95Å; S506-F508 VanDerWaalsContact O-N 3.09Å; S506-F508 WeakPolarHBondContact OG-CD2 3.24Å; S506-F508 PolarHBondContact OG-N 3.18Å; F508-L512 WeakPolarHBondContact O-CD1 3.37Å; F508-V545 HydrophobicContact CB-CB 4.27Å; F508-V545 HydrophobicContact CB-CG2 3.72Å; F508-V545 WeakPolarHBondContact CD1-O 3.43Å; F508-T546 HydrophobicContact CD2-CG2 3.86Å; F508-T546 HydrophobicContact CE2-CG2 4.15Å; F508-T546 HydrophobicContact CG-CG2 4.35Å; F508-C599 HydrophobicContact CE1-CB 3.99Å; F508-C599 VanDerWaalsContact CE1-SG 3.56Å; F508-C599 HydrophobicContact CZ-CB 4.18Å; F508-I600 WeakPolarHBondContact CZ-O 3.44Å; F508-V601 HydrophobicContact CD1-CG1 4.45Å; F508-V601 HydrophobicContact CE1-CG1 3.59Å; F508-V601 HydrophobicContact CZ-CG1 4.36Å; F508-S675 WeakPolarHBondContact CZ-OG 3.4Å
509	V	95	Very high	94	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-101.5	-8.8	-175.8	-59.8	0	0	0	0	113.5	I495 S506 A507 R511 L512 R513 V519 Y521 V545	I495-V509 HydrophobicContact CB-CG1 4.43Å; I495-V509 HydrophobicContact CD1-CG1 4.13Å; I495-V509 HydrophobicContact CG2-CG1 4.04Å; S506-V509 VanDerWaalsContact O-CG2 3.25Å; S506-V509 WeakPolarHBondContact O-CG2 3.26Å; S506-V509 PolarHBondContact O-N 3.43Å; S506-V509 VanDerWaalsContact O-N 3.15Å; A507-V509 VanDerWaalsContact C-N 3.27Å; A507-V509 PolarHBondContact O-N 3.49Å; V509-R511 PolarHBondContact O-N 3.02Å; V509-L512 PolarHBondContact O-N 3.45Å; V509-R513 WeakPolarHBondContact O-CG 3.49Å; V509-R513 PolarHBondContact O-N 2.78Å; V509-V519 HydrophobicContact CB-CG2 4.49Å; V509-V519 HydrophobicContact CG1-CB 4.36Å; V509-V519 HydrophobicContact CG1-CG1 3.92Å; V509-V519 HydrophobicContact CG1-CG2 4.3Å; V509-Y521 HydrophobicContact CG1-CE1 4.49Å; V509-V545 HydrophobicContact CG1-CG2 4.13Å
510	E	93.1	Very high	94.2	Very high	45 Å²	45	42.1 Å²	42.1	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-51.6	-173.6	-63.6	-177.7	152.5	0	0	112.8	L512 R513 K514 V594 S595	E510-L512 VanDerWaalsContact C-N 3.34Å; E510-L512 PolarHBondContact O-N 2.8Å; E510-R513 PolarHBondContact O-N 3.04Å; E510-K514 WeakPolarHBondContact O-CB 3.26Å; E510-K514 PolarHBondContact O-N 3.3Å; E510-V594 HydrophobicContact CB-CB 3.91Å; E510-V594 HydrophobicContact CB-CG2 3.74Å; E510-V594 WeakPolarHBondContact OE2-CB 3.5Å; E510-V594 PolarHBondContact OE2-N 2.91Å; E510-V594 VanDerWaalsContact OE2-N 3.11Å; E510-S595 WeakPolarHBondContact OE1-CB 3.35Å; E510-S595 PolarHBondContact OE1-OG 2.86Å; E510-S595 PolarHBondContact OE2-N 2.82Å; E510-S595 PolarHBondContact OE2-OG 3.24Å
511	R	92.4	Very high	94.3	Very high	58 Å²	58	40.3 Å²	40.3	22%	0.219	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-38.4	-179.8	-177.5	66.2	60.7	173	-0.5	111.6	V509 K514 A515 L552 N591 R592 L593 V594	V509-R511 PolarHBondContact O-N 3.02Å; R511-K514 PolarHBondContact O-N 3.26Å; R511-A515 VanDerWaalsContact O-CB 3.31Å; R511-A515 WeakPolarHBondContact O-CB 3.45Å; R511-A515 PolarHBondContact O-N 3.04Å; R511-L552 HydrophobicContact CB-CD1 4.26Å; R511-L552 HydrophobicContact CG-CD1 3.46Å; R511-L552 VanDerWaalsContact CG-CD1 3.46Å; R511-N591 WeakPolarHBondContact CG-O 3.38Å; R511-N591 PolarHBondContact NE-O 3.27Å; R511-R592 WeakPolarHBondContact CB-O 3.47Å; R511-L593 PolarHBondContact NH2-O 3.29Å; R511-V594 HydrophobicContact CB-CG2 4.06Å
512	L	92.3	Very high	94.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-46.9	177.9	-69.5	96.3	0	0	0	110.5	Y493 F508 V509 E510 K514 A515 G516 L517 V519 V545 L550 L552	Y493-L512 HydrophobicContact CD1-CD2 3.83Å; Y493-L512 HydrophobicContact CD2-CD2 3.79Å; Y493-L512 HydrophobicContact CE1-CD2 4.36Å; Y493-L512 HydrophobicContact CE2-CD2 4.33Å; Y493-L512 HydrophobicContact CG-CD2 3.51Å; F508-L512 WeakPolarHBondContact O-CD1 3.37Å; V509-L512 PolarHBondContact O-N 3.45Å; E510-L512 VanDerWaalsContact C-N 3.34Å; E510-L512 PolarHBondContact O-N 2.8Å; L512-K514 PolarHBondContact O-N 3.4Å; L512-A515 CarbonylContact O-C 3.38Å; L512-A515 PolarHBondContact O-N 2.97Å; L512-G516 PolarHBondContact O-N 3.26Å; L512-L517 HydrophobicContact CB-CB 4.18Å; L512-L517 PolarHBondContact O-N 2.91Å; L512-V519 HydrophobicContact CB-CG2 3.82Å; L512-V519 HydrophobicContact CD2-CG2 3.82Å; L512-V519 HydrophobicContact CG-CG2 4.33Å; L512-V545 HydrophobicContact CD1-CB 4.45Å; L512-V545 HydrophobicContact CD1-CG1 4.02Å; L512-V545 HydrophobicContact CD2-CG1 3.75Å; L512-L550 HydrophobicContact CD1-CD2 4.04Å; L512-L552 HydrophobicContact CD1-CD2 4.37Å; L512-L552 HydrophobicContact CD2-CD2 4.2Å; L512-L552 HydrophobicContact CG-CD2 3.85Å
513	R	91.6	Very high	94.5	Very high	98 Å²	98	33.2 Å²	33.2	37%	0.37	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-42.9	174.9	-72.4	178.9	178.7	171.1	-3	112.5	A504 V509 E510 A515 G516 Y521	A504-R513 VanDerWaalsContact C-NH2 3.29Å; A504-R513 VanDerWaalsContact CB-NH2 3.33Å; A504-R513 PolarHBondContact O-NH1 2.66Å; A504-R513 PolarHBondContact O-NH2 3.23Å; V509-R513 WeakPolarHBondContact O-CG 3.49Å; V509-R513 PolarHBondContact O-N 2.78Å; E510-R513 PolarHBondContact O-N 3.04Å; R513-A515 VanDerWaalsContact C-N 3.26Å; R513-A515 PolarHBondContact O-N 3.42Å; R513-G516 WeakPolarHBondContact O-CA 3.33Å; R513-G516 PolarHBondContact O-N 3.26Å; R513-Y521 PolarHBondContact NE-OH 2.97Å; R513-Y521 PolarHBondContact NH2-OH 3.16Å
514	K	90.4	Very high	94.5	Very high	147 Å²	147	35.3 Å²	35.3	64%	0.639	19%	0.187	S	C	*	.	H	α-helix	trans	-62	-36.1	176.1	-171.4	175.5	179.1	177.9	0	111.8	E510 R511 L512 G516 V594	E510-K514 WeakPolarHBondContact O-CB 3.26Å; E510-K514 PolarHBondContact O-N 3.3Å; R511-K514 PolarHBondContact O-N 3.26Å; L512-K514 PolarHBondContact O-N 3.4Å; K514-G516 PolarHBondContact O-N 3.09Å; K514-V594 HydrophobicContact CD-CG1 4.41Å; K514-V594 HydrophobicContact CD-CG2 4.39Å
515	A	89.6	Confident	94.5	Very high	44 Å²	44	38 Å²	38	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.9	172.7	0	0	0	0	0	113.1	K486 R511 L512 R513 L517	K486-A515 PolarHBondContact NZ-O 3.41Å; R511-A515 VanDerWaalsContact O-CB 3.31Å; R511-A515 WeakPolarHBondContact O-CB 3.45Å; R511-A515 PolarHBondContact O-N 3.04Å; L512-A515 CarbonylContact O-C 3.38Å; L512-A515 PolarHBondContact O-N 2.97Å; R513-A515 VanDerWaalsContact C-N 3.26Å; R513-A515 PolarHBondContact O-N 3.42Å; A515-L517 VanDerWaalsContact C-N 3.25Å; A515-L517 HydrophobicContact CB-CD1 4.17Å; A515-L517 HydrophobicContact CB-CG 4.26Å; A515-L517 PolarHBondContact O-N 3.46Å
516	G	91.3	Very high	94.6	Very high	44 Å²	44	33.6 Å²	33.6	45%	0.454	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	24.2	-177.9	0	0	0	0	0	114.5	K486 L512 R513 K514	K486-G516 WeakPolarHBondContact CE-O 3.45Å; K486-G516 PolarHBondContact NZ-O 2.65Å; L512-G516 PolarHBondContact O-N 3.26Å; R513-G516 WeakPolarHBondContact O-CA 3.33Å; R513-G516 PolarHBondContact O-N 3.26Å; K514-G516 PolarHBondContact O-N 3.09Å
517	L	94.3	Very high	94.6	Very high	5 Å²	5	33 Å²	33	3%	0.026	18%	0.175	C	C	.	.			trans	-86.4	132	174.8	-63.9	167.7	0	0	0	109.6	K486 Q489 Y493 L512 A515 L552 P553	K486-L517 HydrophobicContact CD-CD2 4.02Å; K486-L517 HydrophobicContact CG-CD2 4.42Å; Q489-L517 HydrophobicContact CB-CD2 4.39Å; Q489-L517 HydrophobicContact CG-CD2 4.18Å; Y493-L517 HydrophobicContact CD2-CB 4.47Å; Y493-L517 HydrophobicContact CE2-CD1 3.98Å; Y493-L517 HydrophobicContact CE2-CD2 4.39Å; L512-L517 HydrophobicContact CB-CB 4.18Å; L512-L517 PolarHBondContact O-N 2.91Å; A515-L517 VanDerWaalsContact C-N 3.25Å; A515-L517 HydrophobicContact CB-CD1 4.17Å; A515-L517 HydrophobicContact CB-CG 4.26Å; A515-L517 PolarHBondContact O-N 3.46Å; L517-L552 HydrophobicContact CD1-CD2 4.21Å; L517-P553 HydrophobicContact CD1-CG 4.24Å; L517-P553 HydrophobicContact CD2-CG 4.4Å
518	E	96.4	Very high	94.7	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.075	17%	0.17	C	C	.	.			trans	-73.8	141.5	177.8	-168	172.8	166.3	0	0	110.4	T468 S469 A470 Y481 R484	T468-E518 WeakPolarHBondContact CB-OE1 3.41Å; T468-E518 HydrophobicContact CG2-CG 4.46Å; T468-E518 WeakPolarHBondContact CG2-OE1 3.49Å; T468-E518 PolarHBondContact OG1-OE1 3.26Å; S469-E518 WeakPolarHBondContact OG-CA 3.41Å; A470-E518 HydrophobicContact CB-CG 3.94Å; Y481-E518 HydrophobicContact CD2-CB 4.14Å; Y481-E518 HydrophobicContact CD2-CG 3.79Å; Y481-E518 HydrophobicContact CE2-CB 3.65Å; Y481-E518 HydrophobicContact CE2-CG 3.7Å; Y481-E518 WeakPolarHBondContact CE2-O 3.33Å; Y481-E518 PolarHBondContact OH-O 2.68Å; R484-E518 IonicContact CZ-OE1 3.23Å; R484-E518 IonicContact CZ-OE2 2.68Å; R484-E518 IonicContact NE-OE1 3.92Å; R484-E518 IonicContact NE-OE2 2.66Å; R484-E518 PolarHBondContact NE-OE2 3.44Å; R484-E518 IonicContact NH2-OE1 2.85Å; R484-E518 PolarHBondContact NH2-OE1 3.34Å; R484-E518 IonicContact NH2-OE2 2.76Å; R484-E518 PolarHBondContact NH2-OE2 3.43Å
519	V	97.6	Very high	94.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.			trans	-126.7	132.8	176.5	-173.7	0	0	0	0	109.9	T468 S469 Y493 I495 V509 L512 Y521	T468-V519 CarbonylContact C-O 3.58Å; T468-V519 WeakPolarHBondContact CA-O 3.27Å; T468-V519 WeakPolarHBondContact CB-O 3.26Å; S469-V519 PolarHBondContact N-O 2.94Å; S469-V519 PolarHBondContact OG-N 3.06Å; Y493-V519 WeakPolarHBondContact O-CA 3.35Å; I495-V519 HydrophobicContact CB-CG1 4.47Å; I495-V519 HydrophobicContact CG2-CG1 3.94Å; V509-V519 HydrophobicContact CB-CG2 4.49Å; V509-V519 HydrophobicContact CG1-CB 4.36Å; V509-V519 HydrophobicContact CG1-CG1 3.92Å; V509-V519 HydrophobicContact CG1-CG2 4.3Å; L512-V519 HydrophobicContact CB-CG2 3.82Å; L512-V519 HydrophobicContact CD2-CG2 3.82Å; L512-V519 HydrophobicContact CG-CG2 4.33Å; V519-Y521 HydrophobicContact CB-CE1 4.31Å; V519-Y521 HydrophobicContact CG1-CE1 4.27Å
520	I	98.4	Very high	94.6	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.4	176.1	-58.1	-178.3	0	0	0	110.5	Y466 T468 L478 Y481 I492 Y493 Y494 I495 M522	Y466-I520 VanDerWaalsContact CB-CG2 3.44Å; Y466-I520 HydrophobicContact CD1-CG2 4.23Å; Y466-I520 HydrophobicContact CD2-CG2 3.97Å; Y466-I520 HydrophobicContact CG-CG2 3.64Å; T468-I520 HydrophobicContact CG2-CG1 4.17Å; L478-I520 HydrophobicContact CD2-CD1 3.45Å; L478-I520 VanDerWaalsContact CD2-CD1 3.45Å; Y481-I520 HydrophobicContact CD2-CD1 3.99Å; Y481-I520 HydrophobicContact CD2-CG1 3.68Å; Y481-I520 HydrophobicContact CE2-CD1 4.27Å; Y481-I520 HydrophobicContact CE2-CG1 3.78Å; Y481-I520 HydrophobicContact CG-CD1 4.23Å; Y481-I520 HydrophobicContact CG-CG1 4.42Å; I492-I520 HydrophobicContact CG2-CD1 3.47Å; I492-I520 VanDerWaalsContact CG2-CD1 3.47Å; I492-I520 HydrophobicContact CG2-CG1 4.34Å; Y493-I520 PolarHBondContact O-N 2.96Å; Y494-I520 CarbonylContact C-O 3.45Å; Y494-I520 WeakPolarHBondContact CA-O 3.49Å; I495-I520 PolarHBondContact N-O 2.89Å; I520-M522 HydrophobicContact CG2-CE 4.07Å; I520-M522 HydrophobicContact CG2-CG 4.33Å
521	Y	98.1	Very high	94.7	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.6	177.2	-58.3	-35.4	0	0	0	111.2	Y467 T468 S469 I495 K500 V503 A504 V509 R513 V519	Y467-Y521 PolarHBondContact O-N 2.82Å; T468-Y521 VanDerWaalsContact C-CE2 3.46Å; S469-Y521 VanDerWaalsContact CA-OH 3.32Å; S469-Y521 WeakPolarHBondContact CA-OH 3.39Å; S469-Y521 WeakPolarHBondContact CB-OH 3.49Å; I495-Y521 HydrophobicContact CG2-CD1 3.47Å; I495-Y521 VanDerWaalsContact CG2-CD1 3.47Å; I495-Y521 HydrophobicContact CG2-CE1 3.85Å; K500-Y521 HydrophobicContact CG-CD2 4.46Å; V503-Y521 HydrophobicContact CB-CD1 4.31Å; V503-Y521 HydrophobicContact CG2-CD1 3.59Å; V503-Y521 HydrophobicContact CG2-CE1 4.33Å; V503-Y521 HydrophobicContact CG2-CG 3.75Å; A504-Y521 HydrophobicContact CB-CE2 4.29Å; V509-Y521 HydrophobicContact CG1-CE1 4.49Å; R513-Y521 PolarHBondContact NE-OH 2.97Å; R513-Y521 PolarHBondContact NH2-OH 3.16Å; V519-Y521 HydrophobicContact CB-CE1 4.31Å; V519-Y521 HydrophobicContact CG1-CE1 4.27Å
522	M	98.1	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.3	178.4	-71.5	172.9	-178.1	0	0	109	Y466 Y494 I495 T496 G497 I520 D527 V531	Y466-M522 HydrophobicContact CD1-CG 3.92Å; Y466-M522 HydrophobicContact CE1-CE 4.22Å; Y466-M522 HydrophobicContact CE1-CG 3.77Å; Y466-M522 HydrophobicContact CE2-CE 4.24Å; Y494-M522 HydrophobicContact CD2-CE 4.24Å; Y494-M522 HydrophobicContact CD2-SD 3.61Å; Y494-M522 HydrophobicContact CE2-SD 4.23Å; Y494-M522 HydrophobicContact CG-CE 4.15Å; Y494-M522 HydrophobicContact CG-SD 4.12Å; I495-M522 PolarHBondContact O-N 3.38Å; T496-M522 CarbonylContact C-O 3.54Å; T496-M522 VanDerWaalsContact CA-O 3.27Å; T496-M522 WeakPolarHBondContact CA-O 3.47Å; T496-M522 HydrophobicContact CG2-CB 3.76Å; T496-M522 HydrophobicContact CG2-SD 4.02Å; G497-M522 PolarHBondContact N-O 3.45Å; I520-M522 HydrophobicContact CG2-CE 4.07Å; I520-M522 HydrophobicContact CG2-CG 4.33Å; M522-D527 HydrophobicContact CB-CB 3.71Å; M522-D527 HydrophobicContact CG-CB 4.13Å; M522-D527 HydrophobicContact SD-CB 4.38Å; M522-V531 HydrophobicContact CE-CG1 3.36Å; M522-V531 HydrophobicContact SD-CG1 3.28Å; M522-V531 WeakPolarHBondContact SD-CG1 3.49Å
523	I	96.2	Very high	94.8	Very high	48 Å²	48	37.8 Å²	37.8	25%	0.246	20%	0.196	C	C	.	.			trans	-124.4	-1.5	-164.4	62.5	171.8	0	0	0	112.8	Y467 G497 K500 V503 D527	Y467-I523 HydrophobicContact CD2-CD1 4.17Å; Y467-I523 HydrophobicContact CE2-CD1 4.13Å; G497-I523 WeakPolarHBondContact O-CA 3.23Å; K500-I523 HydrophobicContact CB-CG2 4.45Å; V503-I523 HydrophobicContact CG2-CG2 4.3Å; I523-D527 PolarHBondContact N-OD2 2.64Å; I523-D527 VanDerWaalsContact N-OD2 3.13Å
524	E	95.9	Very high	94.9	Very high	47 Å²	47	33.4 Å²	33.4	22%	0.22	18%	0.18	C	C	.	.	S	Bend	trans	-101.8	143.6	175.1	-63	-170.3	94.1	0	0	110.5	S443 K444 K447 I526 D527	S443-E524 PolarHBondContact OG-OE2 3.2Å; K444-E524 WeakPolarHBondContact CE-OE1 3.42Å; K447-E524 IonicContact NZ-OE2 2.88Å; K447-E524 PolarHBondContact NZ-OE2 3.31Å; E524-I526 HydrophobicContact CB-CG2 4.06Å; E524-I526 PolarHBondContact O-N 2.91Å; E524-I526 VanDerWaalsContact O-N 3.14Å; E524-D527 PolarHBondContact N-OD2 2.77Å; E524-D527 VanDerWaalsContact O-CB 3.23Å; E524-D527 WeakPolarHBondContact O-CB 3.47Å; E524-D527 PolarHBondContact O-N 2.97Å
525	P	94.6	Very high	95	Very high	70 Å²	70	34 Å²	34	46%	0.455	18%	0.182	S	C	.	.	H	α-helix	trans	-54.9	-34.8	176.7	-29	36	0	0	0	114	D527 E528 I614	P525-D527 PolarHBondContact O-N 3.06Å; P525-E528 PolarHBondContact O-N 3.02Å; P525-I614 HydrophobicContact CB-CD1 3.84Å; P525-I614 HydrophobicContact CB-CG1 4.1Å; P525-I614 HydrophobicContact CB-CG2 4.45Å
526	I	95.6	Very high	95.3	Very high	36 Å²	36	37 Å²	37	19%	0.185	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-19.9	178.4	-165.2	166.8	0	0	0	112.9	K444 K447 L448 E524 E528 Y529 C530	K444-I526 HydrophobicContact CG-CG2 4.47Å; K444-I526 WeakPolarHBondContact O-CD1 3.41Å; K447-I526 HydrophobicContact CB-CD1 4.03Å; K447-I526 HydrophobicContact CB-CG1 4.04Å; K447-I526 HydrophobicContact CB-CG2 4.07Å; K447-I526 HydrophobicContact CD-CG2 3.63Å; K447-I526 HydrophobicContact CG-CG2 4.49Å; L448-I526 HydrophobicContact CB-CD1 4.13Å; E524-I526 HydrophobicContact CB-CG2 4.06Å; E524-I526 PolarHBondContact O-N 2.91Å; E524-I526 VanDerWaalsContact O-N 3.14Å; I526-E528 VanDerWaalsContact C-N 3.26Å; I526-E528 PolarHBondContact O-N 2.75Å; I526-Y529 PolarHBondContact O-N 2.95Å; I526-Y529 VanDerWaalsContact O-N 3.15Å; I526-C530 PolarHBondContact O-N 3.22Å
527	D	97	Very high	95.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-36.4	177.5	-70.2	-37.6	0	0	0	111.8	K447 Y466 M522 I523 E524 P525 Y529 C530 V531	K447-D527 VanDerWaalsContact CD-OD1 3.24Å; K447-D527 WeakPolarHBondContact CD-OD1 3.47Å; K447-D527 WeakPolarHBondContact CE-OD1 3.42Å; K447-D527 IonicContact NZ-OD1 3.68Å; K447-D527 PolarHBondContact NZ-OD1 3.13Å; K447-D527 IonicContact NZ-OD2 3.64Å; K447-D527 PolarHBondContact NZ-OD2 3.48Å; Y466-D527 WeakPolarHBondContact CE1-OD1 3.23Å; M522-D527 HydrophobicContact CB-CB 3.71Å; M522-D527 HydrophobicContact CG-CB 4.13Å; M522-D527 HydrophobicContact SD-CB 4.38Å; I523-D527 PolarHBondContact N-OD2 2.64Å; I523-D527 VanDerWaalsContact N-OD2 3.13Å; E524-D527 PolarHBondContact N-OD2 2.77Å; E524-D527 VanDerWaalsContact O-CB 3.23Å; E524-D527 WeakPolarHBondContact O-CB 3.47Å; E524-D527 PolarHBondContact O-N 2.97Å; P525-D527 PolarHBondContact O-N 3.06Å; D527-Y529 VanDerWaalsContact C-N 3.3Å; D527-Y529 PolarHBondContact O-N 3.2Å; D527-C530 WeakPolarHBondContact O-CB 3.39Å; D527-C530 PolarHBondContact O-N 2.97Å; D527-C530 VanDerWaalsContact O-N 3.11Å; D527-V531 WeakPolarHBondContact O-CG2 3.48Å; D527-V531 PolarHBondContact O-N 3.08Å
528	E	94.6	Very high	95.6	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-38.6	175.8	-80.5	-76.7	-178.3	0	0	111.9	T496 P525 I526 Q532 T608 N610 M611 I614	T496-E528 VanDerWaalsContact CB-OE1 3.23Å; T496-E528 WeakPolarHBondContact CB-OE1 3.23Å; T496-E528 HydrophobicContact CG2-CG 4.21Å; T496-E528 PolarHBondContact OG1-OE1 3.46Å; P525-E528 PolarHBondContact O-N 3.02Å; I526-E528 VanDerWaalsContact C-N 3.26Å; I526-E528 PolarHBondContact O-N 2.75Å; E528-Q532 VanDerWaalsContact O-CG 3.27Å; E528-Q532 WeakPolarHBondContact O-CG 3.35Å; E528-Q532 PolarHBondContact O-N 3.1Å; E528-T608 VanDerWaalsContact CD-OG1 3.27Å; E528-T608 PolarHBondContact OE1-OG1 3.35Å; E528-T608 PolarHBondContact OE2-OG1 3.47Å; E528-N610 WeakPolarHBondContact CG-ND2 3.49Å; E528-N610 WeakPolarHBondContact OE1-CB 3.32Å; E528-N610 PolarHBondContact OE1-ND2 3.06Å; E528-M611 HydrophobicContact CB-CE 3.49Å; E528-M611 VanDerWaalsContact CB-CE 3.49Å; E528-M611 HydrophobicContact CB-SD 4.29Å; E528-M611 HydrophobicContact CG-CB 4.49Å; E528-I614 HydrophobicContact CB-CD1 4.2Å; E528-I614 HydrophobicContact CG-CD1 3.92Å
529	Y	93.8	Very high	95.4	Very high	57 Å²	57	41.9 Å²	41.9	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-73.6	-31.8	174.5	-64.5	-92.7	0	0	0	112.5	H451 I526 D527 M611 I614 M615	H451-Y529 PolarHBondContact ND1-O 2.98Å; I526-Y529 PolarHBondContact O-N 2.95Å; I526-Y529 VanDerWaalsContact O-N 3.15Å; D527-Y529 VanDerWaalsContact C-N 3.3Å; D527-Y529 PolarHBondContact O-N 3.2Å; Y529-M611 HydrophobicContact CD1-CE 4.34Å; Y529-M611 HydrophobicContact CD2-CE 4.3Å; Y529-M611 HydrophobicContact CE1-CE 4.43Å; Y529-M611 HydrophobicContact CE2-CE 4.38Å; Y529-M611 HydrophobicContact CG-CE 4.31Å; Y529-I614 HydrophobicContact CE2-CG2 4.2Å; Y529-M615 HydrophobicContact CD1-CE 4.44Å; Y529-M615 HydrophobicContact CE1-CE 3.38Å; Y529-M615 HydrophobicContact CE2-CE 4.33Å; Y529-M615 WeakPolarHBondContact OH-CE 3.45Å
530	C	95.4	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-51.5	178	-176.3	0	0	0	0	111.2	K447 I450 I526 D527 Q532 Q533 L534	K447-C530 HydrophobicContact CB-CB 4.46Å; I450-C530 VanDerWaalsContact CG2-SG 3.53Å; I526-C530 PolarHBondContact O-N 3.22Å; D527-C530 WeakPolarHBondContact O-CB 3.39Å; D527-C530 PolarHBondContact O-N 2.97Å; D527-C530 VanDerWaalsContact O-N 3.11Å; C530-Q532 VanDerWaalsContact C-N 3.28Å; C530-Q532 PolarHBondContact O-N 2.52Å; C530-Q533 PolarHBondContact O-N 2.68Å; C530-Q533 VanDerWaalsContact O-N 3.1Å; C530-L534 WeakPolarHBondContact O-CB 3.39Å; C530-L534 PolarHBondContact O-N 3.36Å
531	V	94.4	Very high	95.2	Very high	10 Å²	10	48.5 Å²	48.5	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-71.7	-18	-178.2	-64.5	0	0	0	0	114.4	Y494 M522 D527 Q533	Y494-V531 HydrophobicContact CD2-CG1 4.49Å; Y494-V531 HydrophobicContact CE2-CB 4.23Å; Y494-V531 HydrophobicContact CE2-CG1 4.18Å; Y494-V531 HydrophobicContact CE2-CG2 3.93Å; M522-V531 HydrophobicContact CE-CG1 3.36Å; M522-V531 HydrophobicContact SD-CG1 3.28Å; M522-V531 WeakPolarHBondContact SD-CG1 3.49Å; D527-V531 WeakPolarHBondContact O-CG2 3.48Å; D527-V531 PolarHBondContact O-N 3.08Å; V531-Q533 PolarHBondContact O-N 3.47Å
532	Q	92	Very high	95.1	Very high	82 Å²	82	49.1 Å²	49.1	38%	0.383	25%	0.25	S	S	.	.	H	α-helix	trans	-63.3	-33.3	169.3	-79.1	178.4	5.4	0	0	112.4	E528 C530	E528-Q532 VanDerWaalsContact O-CG 3.27Å; E528-Q532 WeakPolarHBondContact O-CG 3.35Å; E528-Q532 PolarHBondContact O-N 3.1Å; C530-Q532 VanDerWaalsContact C-N 3.28Å; C530-Q532 PolarHBondContact O-N 2.52Å
533	Q	94.9	Very high	95	Very high	72 Å²	72	50.9 Å²	50.9	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-94.9	-33.4	179.7	-60.1	-56.9	-37.8	0	0	112.3	I450 C530 V531 K535	I450-Q533 HydrophobicContact CG2-CB 4.45Å; C530-Q533 PolarHBondContact O-N 2.68Å; C530-Q533 VanDerWaalsContact O-N 3.1Å; V531-Q533 PolarHBondContact O-N 3.47Å; Q533-K535 PolarHBondContact O-N 2.88Å; Q533-K535 VanDerWaalsContact O-N 3.16Å
534	L	94.9	Very high	95	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.25	C	S	.	.			trans	-85	80.1	177.9	-172.8	65.3	0	0	0	111.2	I450 L464 L478 C530 L542	I450-L534 HydrophobicContact CG2-CB 4.3Å; L464-L534 HydrophobicContact CD1-CD2 3.77Å; L478-L534 HydrophobicContact CD1-CD2 3.89Å; C530-L534 WeakPolarHBondContact O-CB 3.39Å; C530-L534 PolarHBondContact O-N 3.36Å; L534-L542 HydrophobicContact CD2-CD2 3.91Å; L534-L542 HydrophobicContact CG-CD1 4.29Å; L534-L542 HydrophobicContact CG-CD2 4.03Å
535	K	91.9	Very high	95	Very high	158 Å²	158	46.6 Å²	46.6	69%	0.687	24%	0.24	S	C	*	.			trans	-78.8	-32.3	-179.1	-63.2	-176	178.8	-179.3	0	113.7	Q533 N541 L542	Q533-K535 PolarHBondContact O-N 2.88Å; Q533-K535 VanDerWaalsContact O-N 3.16Å; K535-N541 WeakPolarHBondContact O-CA 3.44Å; K535-L542 PolarHBondContact O-N 2.75Å
536	E	95.4	Very high	95	Very high	108 Å²	108	44 Å²	44	51%	0.505	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.5	-173.6	-168.9	-165.4	116	0	0	110.1	G539 K540	E536-G539 WeakPolarHBondContact OE1-CA 3.3Å; E536-G539 PolarHBondContact OE1-N 2.91Å; E536-G539 VanDerWaalsContact OE1-N 3.13Å; E536-K540 WeakPolarHBondContact CA-O 3.31Å; E536-K540 WeakPolarHBondContact CG-O 3.46Å
537	F	97.1	Very high	94.9	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.7	170	-176.2	-93.5	0	0	0	109.1	E462 L478 K479 V482 I492 G539 K540 L542	E462-F537 HydrophobicContact CG-CE2 4.18Å; E462-F537 HydrophobicContact CG-CZ 4.38Å; L478-F537 HydrophobicContact CB-CD1 3.81Å; L478-F537 HydrophobicContact CB-CD2 4.21Å; L478-F537 HydrophobicContact CB-CE1 3.62Å; L478-F537 HydrophobicContact CB-CE2 4.04Å; L478-F537 HydrophobicContact CB-CG 4.11Å; L478-F537 HydrophobicContact CB-CZ 3.74Å; L478-F537 HydrophobicContact CD1-CD2 3.81Å; L478-F537 HydrophobicContact CD1-CE2 4.15Å; L478-F537 HydrophobicContact CD1-CG 4.08Å; K479-F537 HydrophobicContact CB-CE1 4.48Å; K479-F537 HydrophobicContact CB-CZ 4.45Å; V482-F537 HydrophobicContact CG2-CD1 3.94Å; V482-F537 HydrophobicContact CG2-CE1 4.18Å; I492-F537 HydrophobicContact CD1-CB 3.93Å; I492-F537 HydrophobicContact CD1-CD1 4.29Å; F537-G539 VanDerWaalsContact C-N 3.3Å; F537-G539 PolarHBondContact O-N 3.27Å; F537-K540 PolarHBondContact N-O 3.14Å; F537-K540 WeakPolarHBondContact O-CB 3.48Å; F537-K540 PolarHBondContact O-N 3.3Å; F537-L542 HydrophobicContact CB-CD1 4.08Å
538	E	94.4	Very high	94.7	Very high	107 Å²	107	47.2 Å²	47.2	50%	0.5	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	42.5	-178.3	-64.3	-172.8	161.6	0	0	114.8	K540	E538-K540 VanDerWaalsContact C-N 3.26Å; E538-K540 PolarHBondContact O-N 3.24Å
539	G	93.1	Very high	94.3	Very high	53 Å²	53	49.9 Å²	49.9	55%	0.546	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-0.9	-178.9	0	0	0	0	0	114.7	E536 F537	E536-G539 WeakPolarHBondContact OE1-CA 3.3Å; E536-G539 PolarHBondContact OE1-N 2.91Å; E536-G539 VanDerWaalsContact OE1-N 3.13Å; F537-G539 VanDerWaalsContact C-N 3.3Å; F537-G539 PolarHBondContact O-N 3.27Å
540	K	95.4	Very high	94.1	Very high	67 Å²	67	47.9 Å²	47.9	29%	0.291	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.5	-178.8	-54.4	-64.1	-172	166.9	0	110.4	M485 K490 I492 E536 F537 E538	M485-K540 HydrophobicContact CE-CD 3.96Å; M485-K540 HydrophobicContact CE-CG 4.13Å; M485-K540 HydrophobicContact SD-CD 4.45Å; M485-K540 HydrophobicContact SD-CG 4.09Å; K490-K540 WeakPolarHBondContact O-CD 3.46Å; I492-K540 HydrophobicContact CD1-CB 4.04Å; I492-K540 HydrophobicContact CG1-CB 3.95Å; E536-K540 WeakPolarHBondContact CA-O 3.31Å; E536-K540 WeakPolarHBondContact CG-O 3.46Å; F537-K540 PolarHBondContact N-O 3.14Å; F537-K540 WeakPolarHBondContact O-CB 3.48Å; F537-K540 PolarHBondContact O-N 3.3Å; E538-K540 VanDerWaalsContact C-N 3.26Å; E538-K540 PolarHBondContact O-N 3.24Å
541	N	96	Very high	93.7	Very high	76 Å²	76	54.5 Å²	54.5	41%	0.406	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.8	175.5	-65.2	-34.6	0	0	0	111.2	H491 I492 K535	H491-N541 WeakPolarHBondContact CA-O 3.48Å; I492-N541 PolarHBondContact N-O 3.03Å; K535-N541 WeakPolarHBondContact O-CA 3.44Å
542	L	96.6	Very high	93.2	Very high	19 Å²	19	55 Å²	55	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.6	170.9	-73.5	78.3	0	0	0	109.1	I492 Y494 L534 K535 F537	I492-L542 HydrophobicContact CB-CG 4.25Å; I492-L542 HydrophobicContact CD1-CD1 4.32Å; I492-L542 HydrophobicContact CG2-CG 4.36Å; I492-L542 WeakPolarHBondContact O-CA 3.42Å; Y494-L542 HydrophobicContact CD1-CB 4.01Å; Y494-L542 HydrophobicContact CE1-CB 3.81Å; L534-L542 HydrophobicContact CD2-CD2 3.91Å; L534-L542 HydrophobicContact CG-CD1 4.29Å; L534-L542 HydrophobicContact CG-CD2 4.03Å; K535-L542 PolarHBondContact O-N 2.75Å; F537-L542 HydrophobicContact CB-CD1 4.08Å
543	V	95.9	Very high	92.7	Very high	37 Å²	37	53.1 Å²	53.1	22%	0.224	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.1	-177.3	177.3	0	0	0	0	109.6	H491 I492 Y493 Y494 L550	H491-V543 HydrophobicContact CB-CB 4.25Å; H491-V543 HydrophobicContact CB-CG2 3.71Å; I492-V543 PolarHBondContact O-N 3.47Å; Y493-V543 WeakPolarHBondContact CA-O 3.33Å; Y493-V543 HydrophobicContact CD1-CB 4.41Å; Y494-V543 WeakPolarHBondContact CD1-O 3.32Å; Y494-V543 VanDerWaalsContact CE1-C 3.44Å; Y494-V543 PolarHBondContact N-O 3.17Å; V543-L550 HydrophobicContact CG1-CD1 3.95Å
544	S	96.2	Very high	91.9	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.028	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.3	172.7	174.2	0	0	0	0	110.2	Y494 T546 K547	Y494-S544 VanDerWaalsContact CE1-N 3.33Å; Y494-S544 WeakPolarHBondContact O-CA 3.47Å; S544-T546 PolarHBondContact O-N 3.11Å; S544-T546 PolarHBondContact OG-N 3.42Å; S544-T546 VanDerWaalsContact OG-N 3.13Å; S544-T546 PolarHBondContact OG-OG1 3.16Å; S544-K547 PolarHBondContact O-N 2.83Å
545	V	95.9	Very high	91.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.6	174.7	-56.2	0	0	0	0	113.3	Y493 Y494 I495 F508 V509 L512 L550 R592	Y493-V545 HydrophobicContact CD1-CG1 4.36Å; Y494-V545 WeakPolarHBondContact O-CG2 3.37Å; Y494-V545 PolarHBondContact O-N 2.66Å; I495-V545 HydrophobicContact CB-CG2 3.68Å; I495-V545 HydrophobicContact CD1-CG2 4.11Å; I495-V545 HydrophobicContact CG1-CG2 4.14Å; F508-V545 HydrophobicContact CB-CB 4.27Å; F508-V545 HydrophobicContact CB-CG2 3.72Å; F508-V545 WeakPolarHBondContact CD1-O 3.43Å; V509-V545 HydrophobicContact CG1-CG2 4.13Å; L512-V545 HydrophobicContact CD1-CB 4.45Å; L512-V545 HydrophobicContact CD1-CG1 4.02Å; L512-V545 HydrophobicContact CD2-CG1 3.75Å; V545-L550 HydrophobicContact CB-CD2 4.19Å; V545-L550 HydrophobicContact CG1-CD1 4.32Å; V545-L550 HydrophobicContact CG1-CD2 4.31Å; V545-R592 PolarHBondContact O-NH1 3.24Å
546	T	95.1	Very high	90.7	Very high	16 Å²	16	55.2 Å²	55.2	10%	0.098	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.7	177.8	73.2	0	0	0	0	113	I495 F508 S544 T602	I495-T546 HydrophobicContact CD1-CG2 4.21Å; I495-T546 HydrophobicContact CG1-CG2 3.9Å; F508-T546 HydrophobicContact CD2-CG2 3.86Å; F508-T546 HydrophobicContact CE2-CG2 4.15Å; F508-T546 HydrophobicContact CG-CG2 4.35Å; S544-T546 PolarHBondContact O-N 3.11Å; S544-T546 PolarHBondContact OG-N 3.42Å; S544-T546 VanDerWaalsContact OG-N 3.13Å; S544-T546 PolarHBondContact OG-OG1 3.16Å; T546-T602 PolarHBondContact O-N 2.77Å; T546-T602 VanDerWaalsContact O-N 3.14Å; T546-T602 PolarHBondContact O-OG1 3.24Å
547	K	93.3	Very high	90.3	Very high	55 Å²	55	55.8 Å²	55.8	24%	0.239	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-89.6	154.1	179.1	-70.7	-173.8	170.9	-164.4	0	111.8	S544 R592 T602 T604	S544-K547 PolarHBondContact O-N 2.83Å; K547-R592 PolarHBondContact O-NH1 3.48Å; K547-R592 PolarHBondContact O-NH2 3.09Å; K547-T602 CarbonylContact C-O 3.6Å; K547-T602 WeakPolarHBondContact CA-O 3.33Å; K547-T604 PolarHBondContact NZ-O 2.84Å
548	E	92.5	Very high	89.6	Confident	51 Å²	51	60.2 Å²	60.2	24%	0.238	33%	0.325	C	S	.	.	S	Bend	trans	-60.9	159.6	171.4	73.5	179.3	150.2	0	0	111.8	V601 T602 S603 T604 H634	E548-V601 HydrophobicContact CB-CG2 4.16Å; E548-T602 PolarHBondContact N-O 2.86Å; E548-S603 VanDerWaalsContact OE1-CA 3.29Å; E548-S603 WeakPolarHBondContact OE1-CA 3.43Å; E548-S603 WeakPolarHBondContact OE1-CB 3.46Å; E548-S603 PolarHBondContact OE1-OG 2.86Å; E548-T604 HydrophobicContact CG-CG2 3.83Å; E548-T604 PolarHBondContact OE1-N 3Å; E548-H634 IonicContact OE1-NE2 2.66Å; E548-H634 IonicContact OE2-CD2 3.48Å; E548-H634 IonicContact OE2-CE1 2.7Å; E548-H634 IonicContact OE2-NE2 2.71Å; E548-H634 PolarHBondContact OE2-NE2 2.97Å
549	G	86.9	Confident	89.2	Confident	63 Å²	63	59.7 Å²	59.7	65%	0.649	32%	0.321	S	S	*	.			trans	73.7	29.3	175.1	0	0	0	0	0	114.4	E551	G549-E551 PolarHBondContact O-N 3.42Å; G549-E551 VanDerWaalsContact O-N 3.1Å
550	L	89.6	Confident	89	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.073	32%	0.323	C	S	.	.			trans	-68.5	107.8	174.9	-178.8	65.9	0	0	0	110.1	Y493 L512 V543 V545 L552 R592	Y493-L550 HydrophobicContact CD1-CD1 3.85Å; Y493-L550 HydrophobicContact CE1-CD1 3.7Å; L512-L550 HydrophobicContact CD1-CD2 4.04Å; V543-L550 HydrophobicContact CG1-CD1 3.95Å; V545-L550 HydrophobicContact CB-CD2 4.19Å; V545-L550 HydrophobicContact CG1-CD1 4.32Å; V545-L550 HydrophobicContact CG1-CD2 4.31Å; L550-L552 HydrophobicContact CD2-CD2 4.18Å; L550-L552 HydrophobicContact CG-CD2 4.17Å; L550-L552 HydrophobicContact CG-CG 4.48Å; L550-R592 HydrophobicContact CD2-CB 4.2Å
551	E	85.4	Confident	88.6	Confident	139 Å²	139	65.2 Å²	65.2	65%	0.65	33%	0.33	S	S	*	.			trans	-84.9	119.1	174.3	-65.8	-174.8	180	0	0	110.5	Y493 G549	Y493-E551 PolarHBondContact OH-O 2.84Å; G549-E551 PolarHBondContact O-N 3.42Å; G549-E551 VanDerWaalsContact O-N 3.1Å
552	L	85.1	Confident	88.1	Confident	20 Å²	20	62.9 Å²	62.9	11%	0.105	32%	0.317	C	S	.	.			trans	-100.6	148.7	172.2	-59.5	175.1	0	0	0	109.8	R511 L512 L517 L550 E554	R511-L552 HydrophobicContact CB-CD1 4.26Å; R511-L552 HydrophobicContact CG-CD1 3.46Å; R511-L552 VanDerWaalsContact CG-CD1 3.46Å; L512-L552 HydrophobicContact CD1-CD2 4.37Å; L512-L552 HydrophobicContact CD2-CD2 4.2Å; L512-L552 HydrophobicContact CG-CD2 3.85Å; L517-L552 HydrophobicContact CD1-CD2 4.21Å; L550-L552 HydrophobicContact CD2-CD2 4.18Å; L550-L552 HydrophobicContact CG-CD2 4.17Å; L550-L552 HydrophobicContact CG-CG 4.48Å; L552-E554 HydrophobicContact CB-CG 4.41Å; L552-E554 PolarHBondContact O-N 3.23Å
553	P	81.1	Confident	87.7	Confident	43 Å²	43	67.2 Å²	67.2	28%	0.279	34%	0.337	S	S	.	.			trans	-66.8	103.6	171.5	-13.5	29	0	0	0	109.5	N488 L517	N488-P553 HydrophobicContact CB-CB 4.31Å; N488-P553 VanDerWaalsContact ND2-CB 3.28Å; N488-P553 WeakPolarHBondContact ND2-CB 3.46Å; L517-P553 HydrophobicContact CD1-CG 4.24Å; L517-P553 HydrophobicContact CD2-CG 4.4Å
554	E	77.6	Confident	87.5	Confident	45 Å²	45	70.8 Å²	70.8	21%	0.21	35%	0.351	C	S	.	.			trans	-120.2	148.1	-178.5	-73.3	161.6	-146.1	0	0	110.5	L552 E558 K559 Q562 N591	L552-E554 HydrophobicContact CB-CG 4.41Å; L552-E554 PolarHBondContact O-N 3.23Å; E554-E558 HydrophobicContact CB-CB 4.47Å; E554-K559 HydrophobicContact CB-CG 4.17Å; E554-Q562 PolarHBondContact OE2-OE1 2.96Å; E554-N591 VanDerWaalsContact CD-ND2 3.28Å; E554-N591 PolarHBondContact OE1-ND2 2.97Å; E554-N591 PolarHBondContact OE2-ND2 3.19Å
555	D	80.1	Confident	87.3	Confident	86 Å²	86	73.4 Å²	73.4	46%	0.46	36%	0.361	S	S	.	.			trans	-79.4	166.5	169.3	68.5	31.3	0	0	0	111.7	E557 E558 K559	D555-E557 PolarHBondContact O-N 3.01Å; D555-E557 PolarHBondContact OD1-N 3.39Å; D555-E557 VanDerWaalsContact OD1-N 3.07Å; D555-E558 PolarHBondContact O-N 2.84Å; D555-E558 WeakPolarHBondContact OD1-CB 3.46Å; D555-E558 WeakPolarHBondContact OD1-CG 3.45Å; D555-E558 PolarHBondContact OD1-N 3.36Å; D555-K559 WeakPolarHBondContact O-CG 3.4Å; D555-K559 PolarHBondContact O-N 3.41Å
556	E	82.8	Confident	87.1	Confident	150 Å²	150	76.6 Å²	76.6	70%	0.701	38%	0.376	S	S	*	.	H	α-helix	trans	-63.7	-25.5	179.8	-78.1	-70.5	143.2	0	0	112.8	K560	E556-K560 WeakPolarHBondContact O-CB 3.44Å; E556-K560 PolarHBondContact O-N 3.07Å; E556-K560 VanDerWaalsContact O-N 3.13Å
557	E	85.9	Confident	87	Confident	120 Å²	120	78.9 Å²	78.9	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-76.9	-42.7	-178.8	-160	-168.9	141.4	0	0	111.5	D555 K560 K561	D555-E557 PolarHBondContact O-N 3.01Å; D555-E557 PolarHBondContact OD1-N 3.39Å; D555-E557 VanDerWaalsContact OD1-N 3.07Å; E557-K560 PolarHBondContact O-N 3.34Å; E557-K561 WeakPolarHBondContact O-CG 3.42Å; E557-K561 PolarHBondContact O-N 2.9Å; E557-K561 VanDerWaalsContact OE1-CE 3.28Å; E557-K561 WeakPolarHBondContact OE1-CE 3.22Å; E557-K561 IonicContact OE1-NZ 2.69Å; E557-K561 PolarHBondContact OE1-NZ 3.29Å
558	E	83	Confident	86.9	Confident	99 Å²	99	80.7 Å²	80.7	46%	0.463	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-44	173.7	-74.8	-174.3	155	0	0	111.1	E554 D555 K560 K561 Q562	E554-E558 HydrophobicContact CB-CB 4.47Å; D555-E558 PolarHBondContact O-N 2.84Å; D555-E558 WeakPolarHBondContact OD1-CB 3.46Å; D555-E558 WeakPolarHBondContact OD1-CG 3.45Å; D555-E558 PolarHBondContact OD1-N 3.36Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 3.48Å; E558-K561 PolarHBondContact O-N 2.97Å; E558-Q562 WeakPolarHBondContact O-CB 3.28Å; E558-Q562 PolarHBondContact O-N 3.28Å
559	K	84.9	Confident	87	Confident	96 Å²	96	78.3 Å²	78.3	42%	0.417	39%	0.394	S	S	.	.	H	α-helix	trans	-57.9	-45.1	173.8	-76.1	-177.5	-177	176.6	0	112	E554 D555 Q562 E563	E554-K559 HydrophobicContact CB-CG 4.17Å; D555-K559 WeakPolarHBondContact O-CG 3.4Å; D555-K559 PolarHBondContact O-N 3.41Å; K559-Q562 WeakPolarHBondContact O-CB 3.44Å; K559-Q562 PolarHBondContact O-N 3.43Å; K559-E563 PolarHBondContact O-N 2.69Å
560	K	89	Confident	87.3	Confident	136 Å²	136	80.2 Å²	80.2	59%	0.591	39%	0.386	S	S	*	.	H	α-helix	trans	-63.2	-46	178.3	-170.1	-177.6	175.4	-172.1	0	111.8	E556 E557 E558 Q562 E563 E564	E556-K560 WeakPolarHBondContact O-CB 3.44Å; E556-K560 PolarHBondContact O-N 3.07Å; E556-K560 VanDerWaalsContact O-N 3.13Å; E557-K560 PolarHBondContact O-N 3.34Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 3.48Å; K560-Q562 PolarHBondContact O-N 2.79Å; K560-E563 PolarHBondContact O-N 3.1Å; K560-E564 WeakPolarHBondContact O-CG 3.44Å; K560-E564 PolarHBondContact O-N 3.42Å
561	K	87.7	Confident	87.4	Confident	101 Å²	101	82.8 Å²	82.8	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-59	-34.6	175.1	-74.4	173.1	-174.2	161	0	112	E557 E558 K565	E557-K561 WeakPolarHBondContact O-CG 3.42Å; E557-K561 PolarHBondContact O-N 2.9Å; E557-K561 VanDerWaalsContact OE1-CE 3.28Å; E557-K561 WeakPolarHBondContact OE1-CE 3.22Å; E557-K561 IonicContact OE1-NZ 2.69Å; E557-K561 PolarHBondContact OE1-NZ 3.29Å; E558-K561 PolarHBondContact O-N 2.97Å; K561-K565 WeakPolarHBondContact O-CG 3.41Å; K561-K565 PolarHBondContact O-N 2.98Å
562	Q	85.6	Confident	87.7	Confident	27 Å²	27	76.3 Å²	76.3	13%	0.126	37%	0.37	C	S	.	.	H	α-helix	trans	-73.5	-37.9	178.5	-173.9	168.5	-9.6	0	0	113.1	E554 E558 K559 K560 E564 K565 K566 N591	E554-Q562 PolarHBondContact OE2-OE1 2.96Å; E558-Q562 WeakPolarHBondContact O-CB 3.28Å; E558-Q562 PolarHBondContact O-N 3.28Å; K559-Q562 WeakPolarHBondContact O-CB 3.44Å; K559-Q562 PolarHBondContact O-N 3.43Å; K560-Q562 PolarHBondContact O-N 2.79Å; Q562-E564 VanDerWaalsContact C-N 3.33Å; Q562-K565 PolarHBondContact O-N 3.26Å; Q562-K566 WeakPolarHBondContact O-CB 3.44Å; Q562-K566 VanDerWaalsContact O-CG 3.31Å; Q562-K566 WeakPolarHBondContact O-CG 3.38Å; Q562-K566 PolarHBondContact O-N 3.41Å; Q562-N591 VanDerWaalsContact NE2-CG 3.27Å; Q562-N591 PolarHBondContact NE2-ND2 3.01Å; Q562-N591 PolarHBondContact OE1-ND2 2.99Å
563	E	88.4	Confident	88.2	Confident	110 Å²	110	76 Å²	76	51%	0.514	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-38.9	171.7	-69.8	-56.6	134.1	0	0	111.5	K559 K560 K566 A567	K559-E563 PolarHBondContact O-N 2.69Å; K560-E563 PolarHBondContact O-N 3.1Å; E563-K566 PolarHBondContact O-N 3.25Å; E563-K566 WeakPolarHBondContact OE1-CD 3.2Å; E563-K566 IonicContact OE1-NZ 2.83Å; E563-K566 PolarHBondContact OE1-NZ 3.18Å; E563-A567 PolarHBondContact O-N 2.72Å
564	E	91.8	Very high	88.7	Confident	112 Å²	112	79.1 Å²	79.1	52%	0.523	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-46.4	172.9	-70.9	171.2	-173.7	0	0	111.8	K560 Q562 A567 Q568	K560-E564 WeakPolarHBondContact O-CG 3.44Å; K560-E564 PolarHBondContact O-N 3.42Å; Q562-E564 VanDerWaalsContact C-N 3.33Å; E564-A567 PolarHBondContact O-N 2.87Å; E564-Q568 PolarHBondContact O-N 3.36Å
565	K	91.4	Very high	89.4	Confident	58 Å²	58	77.7 Å²	77.7	25%	0.252	37%	0.372	S	S	.	.	H	α-helix	trans	-65	-38.5	175.4	-74.6	175.4	176.6	179.2	0	112.5	K561 Q562 A567 Q568 F569 P639 D640	K561-K565 WeakPolarHBondContact O-CG 3.41Å; K561-K565 PolarHBondContact O-N 2.98Å; Q562-K565 PolarHBondContact O-N 3.26Å; K565-A567 VanDerWaalsContact C-N 3.31Å; K565-A567 PolarHBondContact O-N 3.33Å; K565-Q568 PolarHBondContact O-N 3.46Å; K565-F569 WeakPolarHBondContact O-CD2 3.46Å; K565-F569 PolarHBondContact O-N 2.99Å; K565-P639 HydrophobicContact CB-CB 4.17Å; K565-P639 HydrophobicContact CB-CG 4.2Å; K565-P639 HydrophobicContact CD-CB 4.11Å; K565-P639 HydrophobicContact CD-CG 3.73Å; K565-P639 HydrophobicContact CG-CB 4.38Å; K565-P639 HydrophobicContact CG-CG 4.42Å; K565-D640 VanDerWaalsContact CE-OD1 3.28Å; K565-D640 WeakPolarHBondContact CE-OD1 3.49Å; K565-D640 IonicContact NZ-OD1 3.76Å; K565-D640 PolarHBondContact NZ-OD1 2.79Å; K565-D640 IonicContact NZ-OD2 2.69Å; K565-D640 PolarHBondContact NZ-OD2 2.97Å
566	K	91.6	Very high	90.1	Very high	68 Å²	68	73.6 Å²	73.6	30%	0.296	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-45.3	174	-80.9	171.6	-175.5	172.6	0	111.1	Q562 E563 F569 E570 V589	Q562-K566 WeakPolarHBondContact O-CB 3.44Å; Q562-K566 VanDerWaalsContact O-CG 3.31Å; Q562-K566 WeakPolarHBondContact O-CG 3.38Å; Q562-K566 PolarHBondContact O-N 3.41Å; E563-K566 PolarHBondContact O-N 3.25Å; E563-K566 WeakPolarHBondContact OE1-CD 3.2Å; E563-K566 IonicContact OE1-NZ 2.83Å; E563-K566 PolarHBondContact OE1-NZ 3.18Å; K566-F569 PolarHBondContact O-N 2.91Å; K566-E570 PolarHBondContact O-N 3.37Å; K566-V589 HydrophobicContact CG-CB 3.91Å; K566-V589 HydrophobicContact CG-CG1 4.25Å
567	A	92.3	Very high	90.6	Very high	64 Å²	64	69.4 Å²	69.4	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-43.7	176.8	0	0	0	0	0	111.8	E563 E564 K565 F569 E570	E563-A567 PolarHBondContact O-N 2.72Å; E564-A567 PolarHBondContact O-N 2.87Å; K565-A567 VanDerWaalsContact C-N 3.31Å; K565-A567 PolarHBondContact O-N 3.33Å; A567-F569 VanDerWaalsContact C-N 3.32Å; A567-F569 PolarHBondContact O-N 3.14Å; A567-E570 WeakPolarHBondContact O-CB 3.35Å; A567-E570 PolarHBondContact O-N 3.34Å
568	Q	92.5	Very high	90.9	Very high	92 Å²	92	69 Å²	69	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-38.4	179.3	-173.7	-177.8	10.5	0	0	112.9	E564 K565	E564-Q568 PolarHBondContact O-N 3.36Å; K565-Q568 PolarHBondContact O-N 3.46Å
569	F	94.2	Very high	91.3	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.009	32%	0.318	C	S	.	.	H	α-helix	trans	-97.9	3.9	-177.3	-74.4	-97.3	0	0	0	113.7	K565 K566 A567 N571 L572 C573 V589 I637 P639 M644 E645 R648	K565-F569 WeakPolarHBondContact O-CD2 3.46Å; K565-F569 PolarHBondContact O-N 2.99Å; K566-F569 PolarHBondContact O-N 2.91Å; A567-F569 VanDerWaalsContact C-N 3.32Å; A567-F569 PolarHBondContact O-N 3.14Å; F569-N571 VanDerWaalsContact C-N 3.32Å; F569-N571 PolarHBondContact O-N 3.01Å; F569-L572 HydrophobicContact CD1-CD2 3.9Å; F569-L572 HydrophobicContact CE1-CD2 4.37Å; F569-L572 PolarHBondContact O-N 2.97Å; F569-L572 VanDerWaalsContact O-N 3.14Å; F569-C573 PolarHBondContact O-N 3.47Å; F569-C573 PolarHBondContact O-SG 3.49Å; F569-V589 HydrophobicContact CB-CG2 3.66Å; F569-V589 HydrophobicContact CG-CG2 4.43Å; F569-I637 HydrophobicContact CB-CD1 4.27Å; F569-I637 HydrophobicContact CD1-CD1 4.21Å; F569-P639 HydrophobicContact CD2-CB 3.76Å; F569-P639 HydrophobicContact CE2-CB 3.57Å; F569-P639 HydrophobicContact CG-CB 4.37Å; F569-P639 HydrophobicContact CZ-CB 4.02Å; F569-P639 WeakPolarHBondContact CZ-O 3.45Å; F569-M644 HydrophobicContact CE1-CB 4.21Å; F569-E645 WeakPolarHBondContact CZ-OE2 3.24Å; F569-R648 HydrophobicContact CD1-CB 4.28Å; F569-R648 HydrophobicContact CD1-CG 4.33Å; F569-R648 HydrophobicContact CE1-CB 3.98Å; F569-R648 HydrophobicContact CE1-CG 4.35Å
570	E	92.8	Very high	91.5	Very high	102 Å²	102	61.7 Å²	61.7	48%	0.477	30%	0.3	S	S	.	.	H	α-helix	trans	-57.7	-43.5	-175.9	-167.8	-168.9	156.2	0	0	112.2	K566 A567 C573 K574	K566-E570 PolarHBondContact O-N 3.37Å; A567-E570 WeakPolarHBondContact O-CB 3.35Å; A567-E570 PolarHBondContact O-N 3.34Å; E570-C573 PolarHBondContact O-N 3.24Å; E570-K574 PolarHBondContact O-N 2.88Å; E570-K574 VanDerWaalsContact O-N 3.14Å; E570-K574 VanDerWaalsContact OE1-CE 3.28Å; E570-K574 WeakPolarHBondContact OE1-CE 3.17Å; E570-K574 IonicContact OE1-NZ 2.72Å; E570-K574 PolarHBondContact OE1-NZ 3.3Å
571	N	91.8	Very high	91.3	Very high	69 Å²	69	61.5 Å²	61.5	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-39.9	179.1	-171.7	41.2	0	0	0	111.9	F569 K574 I575	F569-N571 VanDerWaalsContact C-N 3.32Å; F569-N571 PolarHBondContact O-N 3.01Å; N571-K574 PolarHBondContact O-N 2.87Å; N571-I575 WeakPolarHBondContact O-CG1 3.37Å; N571-I575 PolarHBondContact O-N 3.19Å
572	L	92.8	Very high	91.1	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-43.9	175.3	-179.9	64.9	0	0	0	110.9	F569 K574 I575 M576 I637 L647 R648 A651	F569-L572 HydrophobicContact CD1-CD2 3.9Å; F569-L572 HydrophobicContact CE1-CD2 4.37Å; F569-L572 PolarHBondContact O-N 2.97Å; F569-L572 VanDerWaalsContact O-N 3.14Å; L572-K574 VanDerWaalsContact C-N 3.29Å; L572-K574 PolarHBondContact O-N 3.24Å; L572-I575 PolarHBondContact O-N 3.04Å; L572-M576 HydrophobicContact CD1-CG 4.17Å; L572-M576 HydrophobicContact CD1-SD 4.39Å; L572-M576 HydrophobicContact CD2-SD 4.37Å; L572-M576 HydrophobicContact CG-CG 4.25Å; L572-M576 HydrophobicContact CG-SD 4.01Å; L572-M576 WeakPolarHBondContact O-CG 3.33Å; L572-M576 PolarHBondContact O-N 3.05Å; L572-I637 HydrophobicContact CD2-CD1 4.4Å; L572-L647 HydrophobicContact CD1-CB 4.19Å; L572-L647 HydrophobicContact CD2-CB 4.16Å; L572-R648 HydrophobicContact CD2-CB 4.15Å; L572-A651 HydrophobicContact CD1-CB 3.9Å
573	C	94.1	Very high	91.2	Very high	13 Å²	13	68.8 Å²	68.8	9%	0.088	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-41.2	176.6	-71.5	0	0	0	0	112.2	F569 E570 K577 V587	F569-C573 PolarHBondContact O-N 3.47Å; F569-C573 PolarHBondContact O-SG 3.49Å; E570-C573 PolarHBondContact O-N 3.24Å; C573-K577 VanDerWaalsContact O-CB 3.29Å; C573-K577 WeakPolarHBondContact O-CB 3.4Å; C573-K577 PolarHBondContact O-N 3.08Å; C573-V587 HydrophobicContact CB-CB 4.32Å; C573-V587 HydrophobicContact CB-CG1 4.14Å
574	K	93.1	Very high	91.3	Very high	109 Å²	109	63.8 Å²	63.8	47%	0.474	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-48.4	175.6	-70.9	173.6	-173.9	165.9	0	111.4	E570 N571 L572 M576 K577 D578	E570-K574 PolarHBondContact O-N 2.88Å; E570-K574 VanDerWaalsContact O-N 3.14Å; E570-K574 VanDerWaalsContact OE1-CE 3.28Å; E570-K574 WeakPolarHBondContact OE1-CE 3.17Å; E570-K574 IonicContact OE1-NZ 2.72Å; E570-K574 PolarHBondContact OE1-NZ 3.3Å; N571-K574 PolarHBondContact O-N 2.87Å; L572-K574 VanDerWaalsContact C-N 3.29Å; L572-K574 PolarHBondContact O-N 3.24Å; K574-M576 PolarHBondContact O-N 3.45Å; K574-K577 WeakPolarHBondContact O-CB 3.43Å; K574-K577 PolarHBondContact O-N 2.72Å; K574-K577 VanDerWaalsContact O-N 3.13Å; K574-D578 VanDerWaalsContact O-CG 3.29Å; K574-D578 PolarHBondContact O-N 3.32Å
575	I	91.6	Very high	91.3	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-45.2	178.3	-67.2	168.4	0	0	0	111.3	N571 L572 K577 D578 I579 A651 K655	N571-I575 WeakPolarHBondContact O-CG1 3.37Å; N571-I575 PolarHBondContact O-N 3.19Å; L572-I575 PolarHBondContact O-N 3.04Å; I575-K577 VanDerWaalsContact C-N 3.31Å; I575-K577 PolarHBondContact O-N 3.03Å; I575-D578 PolarHBondContact O-N 3.19Å; I575-I579 HydrophobicContact CG2-CD1 3.8Å; I575-I579 VanDerWaalsContact O-CG1 3.28Å; I575-I579 WeakPolarHBondContact O-CG1 3.45Å; I575-I579 PolarHBondContact O-N 3.29Å; I575-A651 HydrophobicContact CD1-CB 3.8Å; I575-K655 HydrophobicContact CD1-CB 4.36Å
576	M	93.7	Very high	91.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-38.7	176.4	-68.9	-179.1	81.5	0	0	111.9	L572 K574 D578 I579 L580 V587 L635 I637 M644 V664	L572-M576 HydrophobicContact CD1-CG 4.17Å; L572-M576 HydrophobicContact CD1-SD 4.39Å; L572-M576 HydrophobicContact CD2-SD 4.37Å; L572-M576 HydrophobicContact CG-CG 4.25Å; L572-M576 HydrophobicContact CG-SD 4.01Å; L572-M576 WeakPolarHBondContact O-CG 3.33Å; L572-M576 PolarHBondContact O-N 3.05Å; K574-M576 PolarHBondContact O-N 3.45Å; M576-D578 VanDerWaalsContact C-N 3.34Å; M576-I579 PolarHBondContact O-N 2.81Å; M576-L580 VanDerWaalsContact O-CB 3.28Å; M576-L580 WeakPolarHBondContact O-CB 3.3Å; M576-L580 WeakPolarHBondContact O-CG 3.27Å; M576-L580 PolarHBondContact O-N 3.49Å; M576-V587 HydrophobicContact CB-CG1 4.1Å; M576-V587 HydrophobicContact CB-CG2 4.23Å; M576-V587 HydrophobicContact SD-CG1 4.31Å; M576-L635 HydrophobicContact CE-CD2 3.53Å; M576-I637 HydrophobicContact CE-CG2 4.2Å; M576-I637 HydrophobicContact SD-CG2 4.08Å; M576-M644 HydrophobicContact CE-CE 4.37Å; M576-V664 HydrophobicContact CB-CG1 4.24Å; M576-V664 HydrophobicContact CE-CG1 4.07Å; M576-V664 HydrophobicContact CE-CG2 4.41Å; M576-V664 HydrophobicContact CG-CG1 4.05Å; M576-V664 HydrophobicContact CG-CG2 4.06Å
577	K	94.2	Very high	91.6	Very high	61 Å²	61	62.2 Å²	62.2	27%	0.265	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-39.2	176.2	176.5	55.5	-174.9	146.6	0	111.7	C573 K574 I575 L580 E581 V584 E585 V587	C573-K577 VanDerWaalsContact O-CB 3.29Å; C573-K577 WeakPolarHBondContact O-CB 3.4Å; C573-K577 PolarHBondContact O-N 3.08Å; K574-K577 WeakPolarHBondContact O-CB 3.43Å; K574-K577 PolarHBondContact O-N 2.72Å; K574-K577 VanDerWaalsContact O-N 3.13Å; I575-K577 VanDerWaalsContact C-N 3.31Å; I575-K577 PolarHBondContact O-N 3.03Å; K577-L580 PolarHBondContact O-N 3.14Å; K577-E581 PolarHBondContact NZ-O 3Å; K577-E581 WeakPolarHBondContact O-CA 3.39Å; K577-E581 PolarHBondContact O-N 2.95Å; K577-V584 HydrophobicContact CD-CG2 4.14Å; K577-V584 PolarHBondContact NZ-O 3.01Å; K577-E585 WeakPolarHBondContact CE-O 3.44Å; K577-E585 PolarHBondContact NZ-O 3.18Å; K577-V587 HydrophobicContact CB-CB 4.38Å; K577-V587 HydrophobicContact CB-CG2 3.81Å; K577-V587 HydrophobicContact CD-CG2 4.46Å
578	D	91.8	Very high	91.7	Very high	113 Å²	113	61 Å²	61	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-69.2	-36.2	176.3	-65.8	-18.4	0	0	0	111.7	K574 I575 M576 E581	K574-D578 VanDerWaalsContact O-CG 3.29Å; K574-D578 PolarHBondContact O-N 3.32Å; I575-D578 PolarHBondContact O-N 3.19Å; M576-D578 VanDerWaalsContact C-N 3.34Å; D578-E581 WeakPolarHBondContact O-CG 3.31Å
579	I	91.2	Very high	91.7	Very high	37 Å²	37	56.9 Å²	56.9	19%	0.19	27%	0.27	C	S	.	.	H	α-helix	trans	-68.7	-39.5	174.9	-67.3	162.1	0	0	0	111.3	I575 M576 K661 V664 I665	I575-I579 HydrophobicContact CG2-CD1 3.8Å; I575-I579 VanDerWaalsContact O-CG1 3.28Å; I575-I579 WeakPolarHBondContact O-CG1 3.45Å; I575-I579 PolarHBondContact O-N 3.29Å; M576-I579 PolarHBondContact O-N 2.81Å; I579-K661 HydrophobicContact CD1-CB 4.48Å; I579-K661 HydrophobicContact CD1-CG 3.96Å; I579-K661 HydrophobicContact CG1-CG 4.03Å; I579-V664 HydrophobicContact CB-CG1 4.21Å; I579-V664 HydrophobicContact CD1-CB 4.15Å; I579-V664 HydrophobicContact CD1-CG1 4.19Å; I579-V664 HydrophobicContact CD1-CG2 4.1Å; I579-V664 HydrophobicContact CG2-CB 4.3Å; I579-V664 HydrophobicContact CG2-CG1 3.93Å; I579-I665 HydrophobicContact CG2-CD1 4.34Å; I579-I665 HydrophobicContact CG2-CG1 3.92Å
580	L	90.5	Very high	91.4	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	27%	0.273	C	S	.	.	S	Bend	trans	-91.4	3.3	-174.7	-61.6	173.7	0	0	0	113.1	M576 K577 K582 K583 V584 L635 V664 I665 F668	M576-L580 VanDerWaalsContact O-CB 3.28Å; M576-L580 WeakPolarHBondContact O-CB 3.3Å; M576-L580 WeakPolarHBondContact O-CG 3.27Å; M576-L580 PolarHBondContact O-N 3.49Å; K577-L580 PolarHBondContact O-N 3.14Å; L580-K582 PolarHBondContact O-N 3.07Å; L580-K583 WeakPolarHBondContact O-CA 3.35Å; L580-K583 VanDerWaalsContact O-CB 3.26Å; L580-K583 WeakPolarHBondContact O-CB 3.37Å; L580-K583 PolarHBondContact O-N 3.27Å; L580-V584 HydrophobicContact CB-CG2 3.76Å; L580-V584 HydrophobicContact CD1-CG1 4.48Å; L580-V584 HydrophobicContact CD1-CG2 4.15Å; L580-L635 HydrophobicContact CD1-CD2 3.65Å; L580-V664 HydrophobicContact CD1-CG1 4.22Å; L580-V664 HydrophobicContact CD2-CG1 4.29Å; L580-V664 HydrophobicContact CG-CG1 4.09Å; L580-I665 HydrophobicContact CD2-CG1 4.46Å; L580-F668 HydrophobicContact CD1-CB 3.97Å; L580-F668 HydrophobicContact CD1-CD2 3.96Å; L580-F668 HydrophobicContact CD1-CG 4.09Å; L580-F668 HydrophobicContact CD2-CB 3.62Å; L580-F668 HydrophobicContact CD2-CD1 3.98Å; L580-F668 HydrophobicContact CD2-CD2 4.25Å; L580-F668 HydrophobicContact CD2-CG 3.66Å; L580-F668 HydrophobicContact CG-CB 4.48Å
581	E	83.5	Confident	91	Very high	132 Å²	132	54 Å²	54	62%	0.617	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	8.6	-87.5	-176.1	-62.5	-169.3	166.5	0	0	116	K577 D578	K577-E581 PolarHBondContact NZ-O 3Å; K577-E581 WeakPolarHBondContact O-CA 3.39Å; K577-E581 PolarHBondContact O-N 2.95Å; D578-E581 WeakPolarHBondContact O-CG 3.31Å
582	K	84.3	Confident	90.9	Very high	200 Å²	200	50.8 Å²	50.8	87%	0.87	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.4	-172.9	-64.7	-177.5	179.8	177	0	114.1	L580	L580-K582 PolarHBondContact O-N 3.07Å
583	K	86.9	Confident	90.9	Very high	80 Å²	80	50.7 Å²	50.7	35%	0.348	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-30.1	-175.8	-57.8	-166.8	172.4	-163.2	0	113.6	L580 F668	L580-K583 WeakPolarHBondContact O-CA 3.35Å; L580-K583 VanDerWaalsContact O-CB 3.26Å; L580-K583 WeakPolarHBondContact O-CB 3.37Å; L580-K583 PolarHBondContact O-N 3.27Å; K583-F668 HydrophobicContact CB-CE1 3.93Å; K583-F668 HydrophobicContact CB-CE2 4.38Å; K583-F668 HydrophobicContact CB-CZ 3.72Å; K583-F668 HydrophobicContact CD-CD1 4.1Å; K583-F668 HydrophobicContact CD-CE1 3.63Å; K583-F668 HydrophobicContact CD-CZ 4.31Å; K583-F668 HydrophobicContact CG-CE1 4.38Å
584	V	91.5	Very high	90.8	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.036	25%	0.251	C	S	.	.			trans	-131.8	150.4	177.3	-62.8	0	0	0	0	110.2	K577 L580 V587 I600 K633 L635 F668	K577-V584 HydrophobicContact CD-CG2 4.14Å; K577-V584 PolarHBondContact NZ-O 3.01Å; L580-V584 HydrophobicContact CB-CG2 3.76Å; L580-V584 HydrophobicContact CD1-CG1 4.48Å; L580-V584 HydrophobicContact CD1-CG2 4.15Å; V584-V587 HydrophobicContact CG2-CG2 3.92Å; V584-I600 HydrophobicContact CG1-CD1 4.43Å; V584-K633 CarbonylContact C-O 3.56Å; V584-K633 WeakPolarHBondContact CA-O 3.31Å; V584-L635 HydrophobicContact CG1-CB 4.25Å; V584-F668 HydrophobicContact CG1-CD2 3.75Å; V584-F668 HydrophobicContact CG1-CE2 3.25Å; V584-F668 HydrophobicContact CG1-CZ 4.17Å
585	E	91.3	Very high	90.7	Very high	83 Å²	83	50.9 Å²	50.9	39%	0.388	25%	0.254	S	S	.	.	S	Bend	trans	-84.3	-39.1	174.9	-179.1	173.5	-143.4	0	0	112	K577 K632 K633 H634	K577-E585 WeakPolarHBondContact CE-O 3.44Å; K577-E585 PolarHBondContact NZ-O 3.18Å; E585-K632 HydrophobicContact CB-CB 4.23Å; E585-K632 HydrophobicContact CG-CD 4.35Å; E585-K632 WeakPolarHBondContact OE1-CD 3.47Å; E585-K632 WeakPolarHBondContact OE1-CE 3.37Å; E585-K632 IonicContact OE1-NZ 3.34Å; E585-K632 PolarHBondContact OE1-NZ 3.08Å; E585-K632 WeakPolarHBondContact OE2-CB 3.32Å; E585-K632 WeakPolarHBondContact OE2-CD 3.46Å; E585-K632 IonicContact OE2-NZ 2.83Å; E585-K633 PolarHBondContact N-O 2.99Å; E585-H634 IonicContact OE2-CE1 3.4Å; E585-H634 PolarHBondContact OE2-CE1 3.37Å; E585-H634 IonicContact OE2-ND1 2.91Å; E585-H634 IonicContact OE2-NE2 3.58Å
586	K	93.3	Very high	90.9	Very high	107 Å²	107	51.2 Å²	51.2	47%	0.465	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.1	-176.5	-169.3	-179.5	176.2	-176.7	0	110.3	H634 L635	K586-H634 HydrophobicContact CB-CB 4.31Å; K586-H634 VanDerWaalsContact CB-ND1 3.28Å; K586-H634 WeakPolarHBondContact CB-ND1 3.25Å; K586-H634 PolarHBondContact N-ND1 3.09Å; K586-H634 CarbonylContact O-C 3.58Å; K586-H634 VanDerWaalsContact O-CA 3.31Å; K586-H634 WeakPolarHBondContact O-CA 3.35Å; K586-L635 PolarHBondContact O-N 3.38Å
587	V	95.4	Very high	90.9	Very high	14 Å²	14	52.3 Å²	52.3	9%	0.085	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.8	166.5	-174	0	0	0	0	108	C573 M576 K577 V584 L635 I637	C573-V587 HydrophobicContact CB-CB 4.32Å; C573-V587 HydrophobicContact CB-CG1 4.14Å; M576-V587 HydrophobicContact CB-CG1 4.1Å; M576-V587 HydrophobicContact CB-CG2 4.23Å; M576-V587 HydrophobicContact SD-CG1 4.31Å; K577-V587 HydrophobicContact CB-CB 4.38Å; K577-V587 HydrophobicContact CB-CG2 3.81Å; K577-V587 HydrophobicContact CD-CG2 4.46Å; V584-V587 HydrophobicContact CG2-CG2 3.92Å; V587-L635 CarbonylContact C-O 3.52Å; V587-L635 VanDerWaalsContact CA-O 3.28Å; V587-L635 WeakPolarHBondContact CA-O 3.41Å; V587-L635 HydrophobicContact CG1-CB 4.32Å; V587-L635 HydrophobicContact CG1-CD2 4.1Å; V587-L635 HydrophobicContact CG1-CG 4.33Å; V587-L635 HydrophobicContact CG2-CB 4.17Å; V587-L635 HydrophobicContact CG2-CD2 4.3Å; V587-I637 HydrophobicContact CG1-CG2 4.2Å
588	T	94.8	Very high	91	Very high	38 Å²	38	49.5 Å²	49.5	23%	0.233	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157.8	-176.3	-160.1	0	0	0	0	112.6	L635 E636 I637	T588-L635 PolarHBondContact N-O 2.93Å; T588-E636 HydrophobicContact CG2-CG 4Å; T588-E636 CarbonylContact O-C 3.54Å; T588-E636 VanDerWaalsContact O-CA 3.28Å; T588-E636 WeakPolarHBondContact O-CA 3.38Å; T588-I637 PolarHBondContact O-N 3.06Å
589	V	92.9	Very high	91.2	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.9	174.7	172.4	0	0	0	0	109.3	K566 F569 I637 P639	K566-V589 HydrophobicContact CG-CB 3.91Å; K566-V589 HydrophobicContact CG-CG1 4.25Å; F569-V589 HydrophobicContact CB-CG2 3.66Å; F569-V589 HydrophobicContact CG-CG2 4.43Å; V589-I637 HydrophobicContact CB-CG1 4.45Å; V589-I637 HydrophobicContact CG2-CD1 3.99Å; V589-I637 HydrophobicContact CG2-CG1 3.88Å; V589-P639 HydrophobicContact CG1-CB 4.16Å; V589-P639 HydrophobicContact CG1-CG 3.68Å
590	S	88.8	Confident	91.4	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.063	22%	0.215	C	C	.	.			trans	-126.8	147.5	178.9	-174.4	0	0	0	0	111.9	R592 E636 I637	S590-R592 WeakPolarHBondContact OG-CG 3.36Å; S590-R592 PolarHBondContact OG-N 3.28Å; S590-E636 WeakPolarHBondContact CB-OE2 3.08Å; S590-E636 PolarHBondContact OG-OE2 3.03Å; S590-I637 PolarHBondContact N-O 3.37Å
591	N	84.6	Confident	91.6	Very high	33 Å²	33	42.3 Å²	42.3	18%	0.176	21%	0.214	C	C	.	.	S	Bend	trans	-94.2	-10	175.1	58.1	14.4	0	0	0	112.9	R511 E554 Q562 L593	R511-N591 WeakPolarHBondContact CG-O 3.38Å; R511-N591 PolarHBondContact NE-O 3.27Å; E554-N591 VanDerWaalsContact CD-ND2 3.28Å; E554-N591 PolarHBondContact OE1-ND2 2.97Å; E554-N591 PolarHBondContact OE2-ND2 3.19Å; Q562-N591 VanDerWaalsContact NE2-CG 3.27Å; Q562-N591 PolarHBondContact NE2-ND2 3.01Å; Q562-N591 PolarHBondContact OE1-ND2 2.99Å; N591-L593 PolarHBondContact O-N 3.13Å
592	R	89.3	Confident	92	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.011	19%	0.186	C	C	.	.	S	Bend	trans	-70.3	-16.3	-176.9	83.9	176.5	73.4	-163.3	8	113.3	R511 V545 K547 L550 S590 E636	R511-R592 WeakPolarHBondContact CB-O 3.47Å; V545-R592 PolarHBondContact O-NH1 3.24Å; K547-R592 PolarHBondContact O-NH1 3.48Å; K547-R592 PolarHBondContact O-NH2 3.09Å; L550-R592 HydrophobicContact CD2-CB 4.2Å; S590-R592 WeakPolarHBondContact OG-CG 3.36Å; S590-R592 PolarHBondContact OG-N 3.28Å; R592-E636 WeakPolarHBondContact CD-OE2 3.25Å; R592-E636 IonicContact CZ-OE1 3.78Å; R592-E636 IonicContact CZ-OE2 2.94Å; R592-E636 IonicContact NE-OE1 2.72Å; R592-E636 IonicContact NE-OE2 3.84Å; R592-E636 PolarHBondContact NE-OE2 3.07Å; R592-E636 IonicContact NH2-OE1 2.6Å; R592-E636 PolarHBondContact NH2-OE1 3.34Å; R592-E636 IonicContact NH2-OE2 2.61Å; R592-E636 PolarHBondContact NH2-OE2 3.21Å
593	L	91.6	Very high	92.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.			trans	-90	147.5	-177.8	-60.5	179.4	0	0	0	111.3	A507 R511 N591 C599 N638	A507-L593 HydrophobicContact CB-CD2 3.93Å; R511-L593 PolarHBondContact NH2-O 3.29Å; N591-L593 PolarHBondContact O-N 3.13Å; L593-C599 HydrophobicContact CD1-CB 4.43Å; L593-C599 HydrophobicContact CD2-CB 3.96Å; L593-N638 HydrophobicContact CB-CB 3.83Å; L593-N638 HydrophobicContact CD1-CB 4.03Å
594	V	92.3	Very high	92.2	Very high	50 Å²	50	26.6 Å²	26.6	30%	0.303	15%	0.152	S	C	.	.	S	Bend	trans	-126.3	-64.4	175	-175.7	0	0	0	0	110.5	E510 R511 K514 N638	E510-V594 HydrophobicContact CB-CB 3.91Å; E510-V594 HydrophobicContact CB-CG2 3.74Å; E510-V594 WeakPolarHBondContact OE2-CB 3.5Å; E510-V594 PolarHBondContact OE2-N 2.91Å; E510-V594 VanDerWaalsContact OE2-N 3.11Å; R511-V594 HydrophobicContact CB-CG2 4.06Å; K514-V594 HydrophobicContact CD-CG1 4.41Å; K514-V594 HydrophobicContact CD-CG2 4.39Å; V594-N638 PolarHBondContact O-ND2 3.31Å
595	S	92.4	Very high	91.8	Very high	76 Å²	76	35.6 Å²	35.6	53%	0.531	19%	0.187	S	C	.	.	S	Bend	trans	-92.4	-32.6	-175.8	84.5	0	0	0	0	112.3	E510 H641	E510-S595 WeakPolarHBondContact OE1-CB 3.35Å; E510-S595 PolarHBondContact OE1-OG 2.86Å; E510-S595 PolarHBondContact OE2-N 2.82Å; E510-S595 PolarHBondContact OE2-OG 3.24Å; S595-H641 PolarHBondContact O-CD2 3.2Å; S595-H641 PolarHBondContact O-NE2 2.96Å
596	S	94.1	Very high	91.5	Very high	22 Å²	22	33.6 Å²	33.6	15%	0.154	19%	0.188	C	C	.	.			trans	-74.6	141.1	-178.4	-170.6	0	0	0	0	112.1	C598 N638	S596-C598 PolarHBondContact OG-N 3.49Å; S596-C598 PolarHBondContact OG-O 2.83Å; S596-N638 WeakPolarHBondContact O-CB 3.19Å; S596-N638 PolarHBondContact O-ND2 3.23Å
597	P	94.6	Very high	91.3	Very high	23 Å²	23	29.6 Å²	29.6	15%	0.149	17%	0.17	C	C	.	.	S	Bend	trans	-67.5	-35.9	172.2	26.1	-34.3	0	0	0	112.8	N638 H641 M644 L667	P597-N638 WeakPolarHBondContact O-CB 3.39Å; P597-N638 PolarHBondContact O-N 3.07Å; P597-H641 HydrophobicContact CB-CB 4.31Å; P597-M644 HydrophobicContact CB-CE 4.06Å; P597-M644 HydrophobicContact CB-CG 4.38Å; P597-M644 WeakPolarHBondContact O-CE 3.39Å; P597-L667 HydrophobicContact CB-CD2 4.48Å; P597-L667 HydrophobicContact CG-CD2 4.05Å
598	C	95.5	Very high	91.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	168	178.1	52.7	0	0	0	0	112.2	S596 L635 E636 I637 M644	S596-C598 PolarHBondContact OG-N 3.49Å; S596-C598 PolarHBondContact OG-O 2.83Å; C598-L635 HydrophobicContact CB-CD1 3.78Å; C598-E636 CarbonylContact C-O 3.49Å; C598-E636 WeakPolarHBondContact CA-O 3.22Å; C598-E636 WeakPolarHBondContact CB-O 3.32Å; C598-I637 HydrophobicContact CB-CG2 4.2Å; C598-M644 HydrophobicContact CB-CE 3.64Å
599	C	96.1	Very high	91	Very high	1 Å²	1	28 Å²	28	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.8	170.5	70.1	0	0	0	0	111.4	F508 L593 E636	F508-C599 HydrophobicContact CE1-CB 3.99Å; F508-C599 VanDerWaalsContact CE1-SG 3.56Å; F508-C599 HydrophobicContact CZ-CB 4.18Å; L593-C599 HydrophobicContact CD1-CB 4.43Å; L593-C599 HydrophobicContact CD2-CB 3.96Å; C599-E636 PolarHBondContact N-O 2.99Å; C599-E636 PolarHBondContact O-N 3.38Å
600	I	95.4	Very high	90.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.7	171	-56.7	-60.1	0	0	0	109.5	F508 V584 K633 H634 L635 F668 A671 L672 S675 F677	F508-I600 WeakPolarHBondContact CZ-O 3.44Å; V584-I600 HydrophobicContact CG1-CD1 4.43Å; I600-K633 HydrophobicContact CG2-CB 3.85Å; I600-K633 HydrophobicContact CG2-CD 4.34Å; I600-K633 HydrophobicContact CG2-CG 4.17Å; I600-H634 CarbonylContact C-O 3.56Å; I600-H634 WeakPolarHBondContact CA-O 3.46Å; I600-L635 HydrophobicContact CD1-CB 4.11Å; I600-L635 HydrophobicContact CD1-CD1 3.52Å; I600-L635 HydrophobicContact CD1-CG 4.41Å; I600-F668 HydrophobicContact CD1-CD2 3.64Å; I600-F668 HydrophobicContact CD1-CE2 3.58Å; I600-F668 HydrophobicContact CG1-CE2 4.38Å; I600-A671 HydrophobicContact CD1-CB 4.44Å; I600-A671 HydrophobicContact CG1-CB 4.07Å; I600-L672 HydrophobicContact CG1-CB 4.13Å; I600-S675 PolarHBondContact N-OG 2.71Å; I600-S675 WeakPolarHBondContact O-CB 3.37Å; I600-S675 PolarHBondContact O-OG 3.44Å; I600-F677 HydrophobicContact CB-CD2 4.31Å; I600-F677 HydrophobicContact CB-CE2 3.99Å; I600-F677 HydrophobicContact CG2-CD2 4.04Å; I600-F677 HydrophobicContact CG2-CE2 3.46Å; I600-F677 VanDerWaalsContact CG2-CE2 3.46Å; I600-F677 HydrophobicContact CG2-CZ 4.12Å
601	V	94.8	Very high	90.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	153.8	171.7	-64.7	0	0	0	0	110.9	F508 E548 H634 E636	F508-V601 HydrophobicContact CD1-CG1 4.45Å; F508-V601 HydrophobicContact CE1-CG1 3.59Å; F508-V601 HydrophobicContact CZ-CG1 4.36Å; E548-V601 HydrophobicContact CB-CG2 4.16Å; V601-H634 HydrophobicContact CG2-CB 3.74Å; V601-H634 PolarHBondContact N-O 2.81Å; V601-H634 PolarHBondContact O-N 2.66Å; V601-E636 HydrophobicContact CG1-CG 4.22Å; V601-E636 HydrophobicContact CG2-CG 3.94Å
602	T	92.6	Very high	91.1	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	149.5	171.3	52.5	0	0	0	0	110.3	T546 K547 E548 A631 F677	T546-T602 PolarHBondContact O-N 2.77Å; T546-T602 VanDerWaalsContact O-N 3.14Å; T546-T602 PolarHBondContact O-OG1 3.24Å; K547-T602 CarbonylContact C-O 3.6Å; K547-T602 WeakPolarHBondContact CA-O 3.33Å; E548-T602 PolarHBondContact N-O 2.86Å; T602-A631 HydrophobicContact CG2-CB 4.42Å; T602-F677 HydrophobicContact CG2-CE1 4.12Å; T602-F677 HydrophobicContact CG2-CE2 4.41Å; T602-F677 HydrophobicContact CG2-CZ 3.45Å; T602-F677 VanDerWaalsContact CG2-CZ 3.45Å
603	S	89.6	Confident	91.1	Very high	18 Å²	18	30.8 Å²	30.8	13%	0.126	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-56.8	161.9	168.8	-174.8	0	0	0	0	112.1	E548 Y605 K632	E548-S603 VanDerWaalsContact OE1-CA 3.29Å; E548-S603 WeakPolarHBondContact OE1-CA 3.43Å; E548-S603 WeakPolarHBondContact OE1-CB 3.46Å; E548-S603 PolarHBondContact OE1-OG 2.86Å; S603-Y605 PolarHBondContact O-N 3.19Å; S603-K632 PolarHBondContact N-O 3.45Å
604	T	85.6	Confident	91	Very high	62 Å²	62	31.8 Å²	31.8	38%	0.38	18%	0.175	S	C	.	.	S	Bend	trans	-55.9	-35.9	173.9	47.7	0	0	0	0	112.4	K547 E548	K547-T604 PolarHBondContact NZ-O 2.84Å; E548-T604 HydrophobicContact CG-CG2 3.83Å; E548-T604 PolarHBondContact OE1-N 3Å
605	Y	83.9	Confident	90.7	Very high	195 Å²	195	30.4 Å²	30.4	77%	0.765	17%	0.165	S	C	*	.	S	Bend	trans	-104.8	151.5	177.8	-55.8	-79.7	0	0	0	111.9	S603	S603-Y605 PolarHBondContact O-N 3.19Å
606	G	85.1	Confident	90.3	Very high	41 Å²	41	31 Å²	31	42%	0.423	16%	0.158	S	C	.	.	S	Bend	trans	94	-175	-177.6	0	0	0	0	0	113.6
607	W	88.3	Confident	89.9	Confident	22 Å²	22	34 Å²	34	8%	0.083	18%	0.184	C	C	.	.			trans	-74.8	140.2	-178.1	-67.2	-22.4	0	0	0	113.5	M611 E612 M615 M626 M629 A631	W607-M611 HydrophobicContact CB-CB 4.08Å; W607-M611 HydrophobicContact CB-CG 4.01Å; W607-M611 HydrophobicContact CD2-CG 4.42Å; W607-M611 HydrophobicContact CG-CB 4.34Å; W607-M611 HydrophobicContact CG-CG 3.71Å; W607-E612 HydrophobicContact CB-CB 4.37Å; W607-E612 HydrophobicContact CE3-CB 4.48Å; W607-M615 HydrophobicContact CD2-CG 4.45Å; W607-M615 HydrophobicContact CE3-CB 4.47Å; W607-M615 HydrophobicContact CH2-CB 4.33Å; W607-M615 HydrophobicContact CZ2-CB 4.44Å; W607-M615 HydrophobicContact CZ2-CG 4.21Å; W607-M615 HydrophobicContact CZ2-SD 4.49Å; W607-M615 HydrophobicContact CZ3-CB 4.31Å; W607-M626 HydrophobicContact CH2-CG 4.27Å; W607-M626 HydrophobicContact CZ3-CB 4.47Å; W607-M626 HydrophobicContact CZ3-CG 4.02Å; W607-M629 HydrophobicContact CD2-CB 3.85Å; W607-M629 HydrophobicContact CE3-CB 4.18Å; W607-M629 HydrophobicContact CG-CB 4.42Å; W607-M629 HydrophobicContact CH2-CB 3.84Å; W607-M629 HydrophobicContact CH2-SD 4.43Å; W607-M629 HydrophobicContact CZ2-CB 3.57Å; W607-M629 HydrophobicContact CZ2-CG 4.06Å; W607-M629 HydrophobicContact CZ2-SD 3.47Å; W607-M629 WeakPolarHBondContact CZ2-SD 3.38Å; W607-M629 HydrophobicContact CZ3-CB 4.16Å; W607-M629 PolarHBondContact N-O 3.38Å; W607-M629 VanDerWaalsContact N-O 3.16Å; W607-A631 WeakPolarHBondContact O-CB 3.43Å
608	T	92.2	Very high	89.5	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.055	20%	0.197	C	C	.	.			trans	-66.5	166	164.8	61.6	0	0	0	0	109.9	E528 N610 M611 E612	E528-T608 VanDerWaalsContact CD-OG1 3.27Å; E528-T608 PolarHBondContact OE1-OG1 3.35Å; E528-T608 PolarHBondContact OE2-OG1 3.47Å; T608-N610 VanDerWaalsContact C-N 3.27Å; T608-N610 PolarHBondContact O-N 2.87Å; T608-M611 PolarHBondContact O-N 3.47Å; T608-M611 WeakPolarHBondContact OG1-CB 3.5Å; T608-M611 PolarHBondContact OG1-N 2.88Å; T608-E612 WeakPolarHBondContact O-CB 3.4Å; T608-E612 PolarHBondContact O-N 3.07Å
609	A	90.8	Very high	88.4	Confident	11 Å²	11	42 Å²	42	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-43.9	173.2	0	0	0	0	0	111.8	E612 R613 S675 F677	A609-E612 PolarHBondContact O-N 3.41Å; A609-R613 PolarHBondContact O-N 2.97Å; A609-S675 WeakPolarHBondContact CB-O 3.45Å; A609-F677 HydrophobicContact CB-CD1 3.71Å; A609-F677 HydrophobicContact CB-CD2 3.86Å; A609-F677 HydrophobicContact CB-CE1 3.64Å; A609-F677 HydrophobicContact CB-CE2 3.78Å; A609-F677 HydrophobicContact CB-CG 3.86Å; A609-F677 HydrophobicContact CB-CZ 3.71Å
610	N	91.4	Very high	87.6	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-68.7	-40	178.7	-173.8	42.2	0	0	0	112.4	E528 T608 R613 I614	E528-N610 WeakPolarHBondContact CG-ND2 3.49Å; E528-N610 WeakPolarHBondContact OE1-CB 3.32Å; E528-N610 PolarHBondContact OE1-ND2 3.06Å; T608-N610 VanDerWaalsContact C-N 3.27Å; T608-N610 PolarHBondContact O-N 2.87Å; N610-R613 WeakPolarHBondContact O-CB 3.23Å; N610-R613 PolarHBondContact O-N 3.39Å; N610-R613 PolarHBondContact OD1-NE 2.94Å; N610-R613 PolarHBondContact OD1-NH2 2.69Å; N610-I614 VanDerWaalsContact O-CG1 3.3Å; N610-I614 WeakPolarHBondContact O-CG1 3.42Å; N610-I614 PolarHBondContact O-N 2.92Å
611	M	89.9	Confident	86.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-41.7	174.2	-177.6	54.3	95.2	0	0	111.8	E528 Y529 W607 T608 R613 I614 M615	E528-M611 HydrophobicContact CB-CE 3.49Å; E528-M611 VanDerWaalsContact CB-CE 3.49Å; E528-M611 HydrophobicContact CB-SD 4.29Å; E528-M611 HydrophobicContact CG-CB 4.49Å; Y529-M611 HydrophobicContact CD1-CE 4.34Å; Y529-M611 HydrophobicContact CD2-CE 4.3Å; Y529-M611 HydrophobicContact CE1-CE 4.43Å; Y529-M611 HydrophobicContact CE2-CE 4.38Å; Y529-M611 HydrophobicContact CG-CE 4.31Å; W607-M611 HydrophobicContact CB-CB 4.08Å; W607-M611 HydrophobicContact CB-CG 4.01Å; W607-M611 HydrophobicContact CD2-CG 4.42Å; W607-M611 HydrophobicContact CG-CB 4.34Å; W607-M611 HydrophobicContact CG-CG 3.71Å; T608-M611 PolarHBondContact O-N 3.47Å; T608-M611 WeakPolarHBondContact OG1-CB 3.5Å; T608-M611 PolarHBondContact OG1-N 2.88Å; M611-R613 VanDerWaalsContact C-N 3.28Å; M611-R613 PolarHBondContact O-N 2.94Å; M611-I614 PolarHBondContact O-N 3.09Å; M611-M615 HydrophobicContact CE-CE 3.93Å; M611-M615 HydrophobicContact CG-CE 4.5Å; M611-M615 HydrophobicContact CG-CG 4.03Å; M611-M615 WeakPolarHBondContact O-CB 3.5Å; M611-M615 WeakPolarHBondContact O-CG 3.41Å; M611-M615 PolarHBondContact O-N 3.05Å; M611-M615 HydrophobicContact SD-CE 3.29Å; M611-M615 WeakPolarHBondContact SD-CE 3.4Å; M611-M615 HydrophobicContact SD-CG 3.54Å; M611-M615 VanDerWaalsContact SD-CG 3.54Å; M611-M615 HydrophobicContact SD-SD 4.32Å
612	E	88.8	Confident	85.6	Confident	21 Å²	21	56.6 Å²	56.6	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-43.4	175.1	-174.9	-179.1	166.5	0	0	111	W607 T608 A609 K616 K633	W607-E612 HydrophobicContact CB-CB 4.37Å; W607-E612 HydrophobicContact CE3-CB 4.48Å; T608-E612 WeakPolarHBondContact O-CB 3.4Å; T608-E612 PolarHBondContact O-N 3.07Å; A609-E612 PolarHBondContact O-N 3.41Å; E612-K616 HydrophobicContact CG-CD 4.21Å; E612-K616 WeakPolarHBondContact O-CB 3.42Å; E612-K616 VanDerWaalsContact O-CG 3.27Å; E612-K616 WeakPolarHBondContact O-CG 3.49Å; E612-K616 PolarHBondContact O-N 2.79Å; E612-K616 WeakPolarHBondContact OE1-CE 3.23Å; E612-K616 IonicContact OE1-NZ 2.8Å; E612-K616 PolarHBondContact OE1-NZ 3.1Å; E612-K633 IonicContact OE2-NZ 2.66Å
613	R	88.4	Confident	84.5	Confident	76 Å²	76	61.9 Å²	61.9	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-51.4	176.4	-177	-168.6	67.5	90.3	8.6	112.4	E498 A609 N610 M611 M615 K616 A617	E498-R613 WeakPolarHBondContact OE1-CD 3.21Å; E498-R613 IonicContact OE1-CZ 2.83Å; E498-R613 IonicContact OE1-NE 2.67Å; E498-R613 PolarHBondContact OE1-NE 2.81Å; E498-R613 VanDerWaalsContact OE1-NE 3.11Å; E498-R613 IonicContact OE1-NH1 2.68Å; E498-R613 PolarHBondContact OE1-NH1 2.9Å; E498-R613 IonicContact OE1-NH2 3.75Å; A609-R613 PolarHBondContact O-N 2.97Å; N610-R613 WeakPolarHBondContact O-CB 3.23Å; N610-R613 PolarHBondContact O-N 3.39Å; N610-R613 PolarHBondContact OD1-NE 2.94Å; N610-R613 PolarHBondContact OD1-NH2 2.69Å; M611-R613 VanDerWaalsContact C-N 3.28Å; M611-R613 PolarHBondContact O-N 2.94Å; R613-M615 VanDerWaalsContact C-N 3.29Å; R613-M615 PolarHBondContact O-N 3.48Å; R613-K616 PolarHBondContact O-N 2.99Å; R613-A617 PolarHBondContact O-N 3.35Å; R613-A617 VanDerWaalsContact O-N 3.08Å
614	I	89.3	Confident	83.7	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.108	36%	0.358	C	S	.	.	H	α-helix	trans	-57.5	-47	178.7	-67.9	161.9	0	0	0	110.2	P525 E528 Y529 N610 M611 A617 Q618	P525-I614 HydrophobicContact CB-CD1 3.84Å; P525-I614 HydrophobicContact CB-CG1 4.1Å; P525-I614 HydrophobicContact CB-CG2 4.45Å; E528-I614 HydrophobicContact CB-CD1 4.2Å; E528-I614 HydrophobicContact CG-CD1 3.92Å; Y529-I614 HydrophobicContact CE2-CG2 4.2Å; N610-I614 VanDerWaalsContact O-CG1 3.3Å; N610-I614 WeakPolarHBondContact O-CG1 3.42Å; N610-I614 PolarHBondContact O-N 2.92Å; M611-I614 PolarHBondContact O-N 3.09Å; I614-A617 PolarHBondContact O-N 2.98Å; I614-Q618 PolarHBondContact O-N 2.94Å
615	M	86.1	Confident	82.6	Confident	21 Å²	21	64.5 Å²	64.5	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-68.3	-38.4	-176.7	-70.7	-74.3	167.5	0	0	112.2	Y529 W607 M611 R613 A617 Q618 R621	Y529-M615 HydrophobicContact CD1-CE 4.44Å; Y529-M615 HydrophobicContact CE1-CE 3.38Å; Y529-M615 HydrophobicContact CE2-CE 4.33Å; Y529-M615 WeakPolarHBondContact OH-CE 3.45Å; W607-M615 HydrophobicContact CD2-CG 4.45Å; W607-M615 HydrophobicContact CE3-CB 4.47Å; W607-M615 HydrophobicContact CH2-CB 4.33Å; W607-M615 HydrophobicContact CZ2-CB 4.44Å; W607-M615 HydrophobicContact CZ2-CG 4.21Å; W607-M615 HydrophobicContact CZ2-SD 4.49Å; W607-M615 HydrophobicContact CZ3-CB 4.31Å; M611-M615 HydrophobicContact CE-CE 3.93Å; M611-M615 HydrophobicContact CG-CE 4.5Å; M611-M615 HydrophobicContact CG-CG 4.03Å; M611-M615 WeakPolarHBondContact O-CB 3.5Å; M611-M615 WeakPolarHBondContact O-CG 3.41Å; M611-M615 PolarHBondContact O-N 3.05Å; M611-M615 HydrophobicContact SD-CE 3.29Å; M611-M615 WeakPolarHBondContact SD-CE 3.4Å; M611-M615 HydrophobicContact SD-CG 3.54Å; M611-M615 VanDerWaalsContact SD-CG 3.54Å; M611-M615 HydrophobicContact SD-SD 4.32Å; R613-M615 VanDerWaalsContact C-N 3.29Å; R613-M615 PolarHBondContact O-N 3.48Å; M615-A617 VanDerWaalsContact C-N 3.28Å; M615-A617 PolarHBondContact O-N 3.02Å; M615-Q618 PolarHBondContact O-N 2.92Å; M615-R621 VanDerWaalsContact C-CZ 3.43Å; M615-R621 VanDerWaalsContact CB-NH1 3.26Å; M615-R621 PolarHBondContact O-NE 3.02Å; M615-R621 PolarHBondContact O-NH2 3.41Å
616	K	84.2	Confident	81.7	Confident	89 Å²	89	57.4 Å²	57.4	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-31.3	173	-79.1	177.2	-178.6	172.5	0	113	E612 R613 Q618 M626	E612-K616 HydrophobicContact CG-CD 4.21Å; E612-K616 WeakPolarHBondContact O-CB 3.42Å; E612-K616 VanDerWaalsContact O-CG 3.27Å; E612-K616 WeakPolarHBondContact O-CG 3.49Å; E612-K616 PolarHBondContact O-N 2.79Å; E612-K616 WeakPolarHBondContact OE1-CE 3.23Å; E612-K616 IonicContact OE1-NZ 2.8Å; E612-K616 PolarHBondContact OE1-NZ 3.1Å; R613-K616 PolarHBondContact O-N 2.99Å; K616-Q618 VanDerWaalsContact C-N 3.3Å; K616-M626 HydrophobicContact CD-CE 3.96Å; K616-M626 HydrophobicContact CG-CE 3.55Å; K616-M626 HydrophobicContact CG-SD 4.28Å
617	A	85.9	Confident	80.6	Confident	83 Å²	83	58.6 Å²	58.6	69%	0.686	34%	0.344	S	S	*	.	H	α-helix	trans	-78.5	-11.5	179.3	0	0	0	0	0	113.7	R613 I614 M615 A619	R613-A617 PolarHBondContact O-N 3.35Å; R613-A617 VanDerWaalsContact O-N 3.08Å; I614-A617 PolarHBondContact O-N 2.98Å; M615-A617 VanDerWaalsContact C-N 3.28Å; M615-A617 PolarHBondContact O-N 3.02Å; A617-A619 PolarHBondContact O-N 3.28Å
618	Q	85	Confident	79.4	Confident	92 Å²	92	68.3 Å²	68.3	43%	0.43	38%	0.383	S	S	.	.			trans	-80.2	110.6	-178.3	-171.7	175.8	-11.7	0	0	111.8	I614 M615 K616 L620 R621	I614-Q618 PolarHBondContact O-N 2.94Å; M615-Q618 PolarHBondContact O-N 2.92Å; K616-Q618 VanDerWaalsContact C-N 3.3Å; Q618-L620 PolarHBondContact O-N 3.27Å; Q618-R621 HydrophobicContact CB-CB 4.38Å; Q618-R621 HydrophobicContact CG-CB 4.42Å; Q618-R621 PolarHBondContact O-N 3.14Å
619	A	74.3	Confident	78.4	Confident	102 Å²	102	72.4 Å²	72.4	84%	0.843	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.4	-172.5	0	0	0	0	0	115.6	A617 R621	A617-A619 PolarHBondContact O-N 3.28Å; A619-R621 VanDerWaalsContact C-N 3.34Å
620	L	77.4	Confident	77.4	Confident	171 Å²	171	74.2 Å²	74.2	90%	0.895	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	9.9	-175.2	-64	175.8	0	0	0	113.9	Q618	Q618-L620 PolarHBondContact O-N 3.27Å
621	R	74.7	Confident	76.4	Confident	38 Å²	38	74 Å²	74	14%	0.143	42%	0.417	C	S	.	.	S	Bend	trans	-92.9	140.3	-174.6	-169.2	-170.8	63	149.6	-1.3	111.5	M615 Q618 A619 N623 M626	M615-R621 VanDerWaalsContact C-CZ 3.43Å; M615-R621 VanDerWaalsContact CB-NH1 3.26Å; M615-R621 PolarHBondContact O-NE 3.02Å; M615-R621 PolarHBondContact O-NH2 3.41Å; Q618-R621 HydrophobicContact CB-CB 4.38Å; Q618-R621 HydrophobicContact CG-CB 4.42Å; Q618-R621 PolarHBondContact O-N 3.14Å; A619-R621 VanDerWaalsContact C-N 3.34Å; R621-N623 PolarHBondContact O-N 3.37Å; R621-M626 VanDerWaalsContact NH2-CG 3.31Å; R621-M626 PolarHBondContact NH2-SD 3.04Å
622	D	74.1	Confident	76.2	Confident	101 Å²	101	79.7 Å²	79.7	54%	0.54	44%	0.442	S	S	.	.			trans	-74.2	121.2	171.2	-176.3	3.7	0	0	0	111.7	S624 T625	D622-S624 PolarHBondContact O-N 2.87Å; D622-S624 WeakPolarHBondContact OD1-CB 3.46Å; D622-S624 PolarHBondContact OD1-N 2.82Å; D622-S624 PolarHBondContact OD1-OG 2.91Å; D622-S624 PolarHBondContact OD2-OG 3.23Å; D622-T625 PolarHBondContact O-N 2.82Å; D622-T625 PolarHBondContact O-OG1 3.2Å
623	N	70.6	Confident	76.4	Confident	114 Å²	114	80.8 Å²	80.8	61%	0.61	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-67.6	-17.3	179.4	-73.1	-25.6	0	0	0	113.6	R621 T625 M626	R621-N623 PolarHBondContact O-N 3.37Å; N623-T625 PolarHBondContact O-N 3.06Å; N623-M626 WeakPolarHBondContact O-CB 3.37Å; N623-M626 PolarHBondContact O-N 3.26Å
624	S	71.2	Confident	76.7	Confident	75 Å²	75	77.6 Å²	77.6	52%	0.524	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-61.8	-29.8	178.2	76.4	0	0	0	0	112.8	D622 M626	D622-S624 PolarHBondContact O-N 2.87Å; D622-S624 WeakPolarHBondContact OD1-CB 3.46Å; D622-S624 PolarHBondContact OD1-N 2.82Å; D622-S624 PolarHBondContact OD1-OG 2.91Å; D622-S624 PolarHBondContact OD2-OG 3.23Å; S624-M626 VanDerWaalsContact C-N 3.31Å; S624-M626 PolarHBondContact O-N 3.28Å
625	T	64.3	Low	77	Confident	60 Å²	60	76.6 Å²	76.6	37%	0.368	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-76.1	-13.9	-178.6	57.6	0	0	0	0	114.2	D622 N623 G627	D622-T625 PolarHBondContact O-N 2.82Å; D622-T625 PolarHBondContact O-OG1 3.2Å; N623-T625 PolarHBondContact O-N 3.06Å; T625-G627 PolarHBondContact O-N 3.2Å
626	M	63.4	Low	77.4	Confident	45 Å²	45	76.1 Å²	76.1	22%	0.222	43%	0.427	C	S	.	.	H	α-helix	trans	-65.7	-36.3	-178.8	-75.1	-176.7	68.8	0	0	113.3	W607 K616 R621 N623 S624 Y628 M629 A630	W607-M626 HydrophobicContact CH2-CG 4.27Å; W607-M626 HydrophobicContact CZ3-CB 4.47Å; W607-M626 HydrophobicContact CZ3-CG 4.02Å; K616-M626 HydrophobicContact CD-CE 3.96Å; K616-M626 HydrophobicContact CG-CE 3.55Å; K616-M626 HydrophobicContact CG-SD 4.28Å; R621-M626 VanDerWaalsContact NH2-CG 3.31Å; R621-M626 PolarHBondContact NH2-SD 3.04Å; N623-M626 WeakPolarHBondContact O-CB 3.37Å; N623-M626 PolarHBondContact O-N 3.26Å; S624-M626 VanDerWaalsContact C-N 3.31Å; S624-M626 PolarHBondContact O-N 3.28Å; M626-Y628 VanDerWaalsContact C-N 3.26Å; M626-Y628 PolarHBondContact O-N 3.25Å; M626-M629 PolarHBondContact O-N 3.34Å; M626-A630 WeakPolarHBondContact O-CB 3.38Å; M626-A630 PolarHBondContact O-N 2.97Å
627	G	63.5	Low	78	Confident	67 Å²	67	71.9 Å²	71.9	69%	0.691	41%	0.409	S	S	*	.	H	α-helix	trans	-62.9	-32.2	-175	0	0	0	0	0	113.6	T625	T625-G627 PolarHBondContact O-N 3.2Å
628	Y	62.1	Low	78.4	Confident	225 Å²	225	68 Å²	68	88%	0.882	38%	0.376	S	S	*	.	H	α-helix	trans	-87.3	-22.5	-179.6	-66.9	-79.6	0	0	0	113.8	M626	M626-Y628 VanDerWaalsContact C-N 3.26Å; M626-Y628 PolarHBondContact O-N 3.25Å
629	M	70.6	Confident	78.8	Confident	95 Å²	95	64.2 Å²	64.2	47%	0.468	36%	0.36	S	S	.	.	H	α-helix	trans	-106.7	-5.7	-176.9	-64.9	-159.3	179.7	0	0	114.3	W607 M626 A631	W607-M629 HydrophobicContact CD2-CB 3.85Å; W607-M629 HydrophobicContact CE3-CB 4.18Å; W607-M629 HydrophobicContact CG-CB 4.42Å; W607-M629 HydrophobicContact CH2-CB 3.84Å; W607-M629 HydrophobicContact CH2-SD 4.43Å; W607-M629 HydrophobicContact CZ2-CB 3.57Å; W607-M629 HydrophobicContact CZ2-CG 4.06Å; W607-M629 HydrophobicContact CZ2-SD 3.47Å; W607-M629 WeakPolarHBondContact CZ2-SD 3.38Å; W607-M629 HydrophobicContact CZ3-CB 4.16Å; W607-M629 PolarHBondContact N-O 3.38Å; W607-M629 VanDerWaalsContact N-O 3.16Å; M626-M629 PolarHBondContact O-N 3.34Å; M629-A631 PolarHBondContact O-N 3.33Å
630	A	70.1	Confident	79.7	Confident	50 Å²	50	64 Å²	64	41%	0.413	34%	0.344	S	S	.	.			trans	-59.2	108	170.9	0	0	0	0	0	109.4	M626 K632	M626-A630 WeakPolarHBondContact O-CB 3.38Å; M626-A630 PolarHBondContact O-N 2.97Å; A630-K632 PolarHBondContact O-N 3.2Å
631	A	71.3	Confident	80.5	Confident	7 Å²	7	57.5 Å²	57.5	6%	0.058	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-64.1	139	176.7	0	0	0	0	0	109.6	T602 W607 M629	T602-A631 HydrophobicContact CG2-CB 4.42Å; W607-A631 WeakPolarHBondContact O-CB 3.43Å; M629-A631 PolarHBondContact O-N 3.33Å
632	K	85.4	Confident	81.5	Confident	120 Å²	120	60.2 Å²	60.2	52%	0.522	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-67.3	139.5	170.5	-57.2	-173.5	-178.2	174.2	0	108.7	E585 S603 A630	E585-K632 HydrophobicContact CB-CB 4.23Å; E585-K632 HydrophobicContact CG-CD 4.35Å; E585-K632 WeakPolarHBondContact OE1-CD 3.47Å; E585-K632 WeakPolarHBondContact OE1-CE 3.37Å; E585-K632 IonicContact OE1-NZ 3.34Å; E585-K632 PolarHBondContact OE1-NZ 3.08Å; E585-K632 WeakPolarHBondContact OE2-CB 3.32Å; E585-K632 WeakPolarHBondContact OE2-CD 3.46Å; E585-K632 IonicContact OE2-NZ 2.83Å; S603-K632 PolarHBondContact N-O 3.45Å; A630-K632 PolarHBondContact O-N 3.2Å
633	K	91.9	Very high	82.5	Confident	45 Å²	45	58.6 Å²	58.6	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.2	-175	-63.9	176.7	176.4	69.8	0	108.9	V584 E585 I600 E612 L672 F677	V584-K633 CarbonylContact C-O 3.56Å; V584-K633 WeakPolarHBondContact CA-O 3.31Å; E585-K633 PolarHBondContact N-O 2.99Å; I600-K633 HydrophobicContact CG2-CB 3.85Å; I600-K633 HydrophobicContact CG2-CD 4.34Å; I600-K633 HydrophobicContact CG2-CG 4.17Å; E612-K633 IonicContact OE2-NZ 2.66Å; K633-L672 HydrophobicContact CD-CD1 4.31Å; K633-F677 HydrophobicContact CD-CD1 4.47Å; K633-F677 HydrophobicContact CD-CE1 4.25Å; K633-F677 HydrophobicContact CD-CZ 4.34Å; K633-F677 VanDerWaalsContact CE-CE1 3.41Å; K633-F677 HydrophobicContact CG-CE1 4.28Å; K633-F677 HydrophobicContact CG-CZ 4.11Å
634	H	94.4	Very high	83.6	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.3	172.5	-46.5	-77.4	0	0	0	109.8	E548 E585 K586 I600 V601	E548-H634 IonicContact OE1-NE2 2.66Å; E548-H634 IonicContact OE2-CD2 3.48Å; E548-H634 IonicContact OE2-CE1 2.7Å; E548-H634 IonicContact OE2-NE2 2.71Å; E548-H634 PolarHBondContact OE2-NE2 2.97Å; E585-H634 IonicContact OE2-CE1 3.4Å; E585-H634 PolarHBondContact OE2-CE1 3.37Å; E585-H634 IonicContact OE2-ND1 2.91Å; E585-H634 IonicContact OE2-NE2 3.58Å; K586-H634 HydrophobicContact CB-CB 4.31Å; K586-H634 VanDerWaalsContact CB-ND1 3.28Å; K586-H634 WeakPolarHBondContact CB-ND1 3.25Å; K586-H634 PolarHBondContact N-ND1 3.09Å; K586-H634 CarbonylContact O-C 3.58Å; K586-H634 VanDerWaalsContact O-CA 3.31Å; K586-H634 WeakPolarHBondContact O-CA 3.35Å; I600-H634 CarbonylContact C-O 3.56Å; I600-H634 WeakPolarHBondContact CA-O 3.46Å; V601-H634 HydrophobicContact CG2-CB 3.74Å; V601-H634 PolarHBondContact N-O 2.81Å; V601-H634 PolarHBondContact O-N 2.66Å
635	L	95.8	Very high	84.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.5	174.5	-179.9	68.1	0	0	0	108.8	M576 L580 V584 K586 V587 T588 C598 I600 I637 A671	M576-L635 HydrophobicContact CE-CD2 3.53Å; L580-L635 HydrophobicContact CD1-CD2 3.65Å; V584-L635 HydrophobicContact CG1-CB 4.25Å; K586-L635 PolarHBondContact O-N 3.38Å; V587-L635 CarbonylContact C-O 3.52Å; V587-L635 VanDerWaalsContact CA-O 3.28Å; V587-L635 WeakPolarHBondContact CA-O 3.41Å; V587-L635 HydrophobicContact CG1-CB 4.32Å; V587-L635 HydrophobicContact CG1-CD2 4.1Å; V587-L635 HydrophobicContact CG1-CG 4.33Å; V587-L635 HydrophobicContact CG2-CB 4.17Å; V587-L635 HydrophobicContact CG2-CD2 4.3Å; T588-L635 PolarHBondContact N-O 2.93Å; C598-L635 HydrophobicContact CB-CD1 3.78Å; I600-L635 HydrophobicContact CD1-CB 4.11Å; I600-L635 HydrophobicContact CD1-CD1 3.52Å; I600-L635 HydrophobicContact CD1-CG 4.41Å; L635-I637 HydrophobicContact CG-CG2 4.31Å; L635-A671 HydrophobicContact CD1-CB 4.43Å
636	E	95.3	Very high	86	Confident	11 Å²	11	52.5 Å²	52.5	5%	0.051	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.4	172.2	-76	-172.4	-172.8	0	0	109.4	T588 S590 R592 C598 C599 V601	T588-E636 HydrophobicContact CG2-CG 4Å; T588-E636 CarbonylContact O-C 3.54Å; T588-E636 VanDerWaalsContact O-CA 3.28Å; T588-E636 WeakPolarHBondContact O-CA 3.38Å; S590-E636 WeakPolarHBondContact CB-OE2 3.08Å; S590-E636 PolarHBondContact OG-OE2 3.03Å; R592-E636 WeakPolarHBondContact CD-OE2 3.25Å; R592-E636 IonicContact CZ-OE1 3.78Å; R592-E636 IonicContact CZ-OE2 2.94Å; R592-E636 IonicContact NE-OE1 2.72Å; R592-E636 IonicContact NE-OE2 3.84Å; R592-E636 PolarHBondContact NE-OE2 3.07Å; R592-E636 IonicContact NH2-OE1 2.6Å; R592-E636 PolarHBondContact NH2-OE1 3.34Å; R592-E636 IonicContact NH2-OE2 2.61Å; R592-E636 PolarHBondContact NH2-OE2 3.21Å; C598-E636 CarbonylContact C-O 3.49Å; C598-E636 WeakPolarHBondContact CA-O 3.22Å; C598-E636 WeakPolarHBondContact CB-O 3.32Å; C599-E636 PolarHBondContact N-O 2.99Å; C599-E636 PolarHBondContact O-N 3.38Å; V601-E636 HydrophobicContact CG1-CG 4.22Å; V601-E636 HydrophobicContact CG2-CG 3.94Å
637	I	95.9	Very high	87.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.5	-179.8	68.7	170.6	0	0	0	111.8	F569 L572 M576 V587 T588 V589 S590 C598 L635 M644	F569-I637 HydrophobicContact CB-CD1 4.27Å; F569-I637 HydrophobicContact CD1-CD1 4.21Å; L572-I637 HydrophobicContact CD2-CD1 4.4Å; M576-I637 HydrophobicContact CE-CG2 4.2Å; M576-I637 HydrophobicContact SD-CG2 4.08Å; V587-I637 HydrophobicContact CG1-CG2 4.2Å; T588-I637 PolarHBondContact O-N 3.06Å; V589-I637 HydrophobicContact CB-CG1 4.45Å; V589-I637 HydrophobicContact CG2-CD1 3.99Å; V589-I637 HydrophobicContact CG2-CG1 3.88Å; S590-I637 PolarHBondContact N-O 3.37Å; C598-I637 HydrophobicContact CB-CG2 4.2Å; L635-I637 HydrophobicContact CG-CG2 4.31Å; I637-M644 HydrophobicContact CB-CE 3.99Å; I637-M644 HydrophobicContact CB-SD 4.14Å; I637-M644 HydrophobicContact CG2-CE 3.78Å; I637-M644 HydrophobicContact CG2-SD 4.21Å
638	N	95.1	Very high	88.6	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.011	25%	0.246	C	C	.	.			trans	-96.3	108.4	175.7	-178.2	-1.1	0	0	0	110.1	L593 V594 S596 P597 D640 H641 M644	L593-N638 HydrophobicContact CB-CB 3.83Å; L593-N638 HydrophobicContact CD1-CB 4.03Å; V594-N638 PolarHBondContact O-ND2 3.31Å; S596-N638 WeakPolarHBondContact O-CB 3.19Å; S596-N638 PolarHBondContact O-ND2 3.23Å; P597-N638 WeakPolarHBondContact O-CB 3.39Å; P597-N638 PolarHBondContact O-N 3.07Å; N638-D640 PolarHBondContact O-N 2.98Å; N638-D640 PolarHBondContact OD1-N 3.21Å; N638-D640 VanDerWaalsContact OD1-N 3.11Å; N638-H641 HydrophobicContact CB-CB 4.16Å; N638-H641 PolarHBondContact O-N 3.14Å; N638-M644 VanDerWaalsContact O-CB 3.29Å; N638-M644 WeakPolarHBondContact O-CB 3.18Å; N638-M644 VanDerWaalsContact O-CG 3.29Å; N638-M644 WeakPolarHBondContact O-CG 3.49Å
639	P	93.7	Very high	90	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.084	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.7	-175.7	30.7	-34.9	0	0	0	112.8	K565 F569 V589 H641	K565-P639 HydrophobicContact CB-CB 4.17Å; K565-P639 HydrophobicContact CB-CG 4.2Å; K565-P639 HydrophobicContact CD-CB 4.11Å; K565-P639 HydrophobicContact CD-CG 3.73Å; K565-P639 HydrophobicContact CG-CB 4.38Å; K565-P639 HydrophobicContact CG-CG 4.42Å; F569-P639 HydrophobicContact CD2-CB 3.76Å; F569-P639 HydrophobicContact CE2-CB 3.57Å; F569-P639 HydrophobicContact CG-CB 4.37Å; F569-P639 HydrophobicContact CZ-CB 4.02Å; F569-P639 WeakPolarHBondContact CZ-O 3.45Å; V589-P639 HydrophobicContact CG1-CB 4.16Å; V589-P639 HydrophobicContact CG1-CG 3.68Å; P639-H641 VanDerWaalsContact C-N 3.33Å
640	D	92.4	Very high	90.9	Very high	96 Å²	96	43.1 Å²	43.1	51%	0.513	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.6	179.9	-66.5	-40.5	0	0	0	113	K565 N638	K565-D640 VanDerWaalsContact CE-OD1 3.28Å; K565-D640 WeakPolarHBondContact CE-OD1 3.49Å; K565-D640 IonicContact NZ-OD1 3.76Å; K565-D640 PolarHBondContact NZ-OD1 2.79Å; K565-D640 IonicContact NZ-OD2 2.69Å; K565-D640 PolarHBondContact NZ-OD2 2.97Å; N638-D640 PolarHBondContact O-N 2.98Å; N638-D640 PolarHBondContact OD1-N 3.21Å; N638-D640 VanDerWaalsContact OD1-N 3.11Å
641	H	95.6	Very high	91.6	Very high	36 Å²	36	40.8 Å²	40.8	17%	0.167	21%	0.206	C	C	.	.	S	Bend	trans	-80.8	132.2	-177	-164.1	-80.8	0	0	0	111.4	S595 P597 N638 P639 I643 M644 E645	S595-H641 PolarHBondContact O-CD2 3.2Å; S595-H641 PolarHBondContact O-NE2 2.96Å; P597-H641 HydrophobicContact CB-CB 4.31Å; N638-H641 HydrophobicContact CB-CB 4.16Å; N638-H641 PolarHBondContact O-N 3.14Å; P639-H641 VanDerWaalsContact C-N 3.33Å; H641-I643 VanDerWaalsContact C-N 3.26Å; H641-I643 VanDerWaalsContact CE1-CD1 3.47Å; H641-I643 WeakPolarHBondContact CE1-CD1 3.46Å; H641-I643 VanDerWaalsContact CE1-CG1 3.48Å; H641-I643 WeakPolarHBondContact CE1-CG1 3.42Å; H641-I643 WeakPolarHBondContact ND1-CB 3.44Å; H641-I643 PolarHBondContact ND1-N 3.26Å; H641-I643 VanDerWaalsContact ND1-N 3.15Å; H641-I643 PolarHBondContact O-N 2.87Å; H641-I643 VanDerWaalsContact O-N 3.16Å; H641-M644 HydrophobicContact CB-CB 4.39Å; H641-M644 HydrophobicContact CB-CG 4.3Å; H641-M644 PolarHBondContact O-N 2.74Å; H641-E645 PolarHBondContact O-N 3.32Å; H641-E645 VanDerWaalsContact O-N 3.13Å
642	P	94.8	Very high	92.3	Very high	94 Å²	94	45.3 Å²	45.3	61%	0.61	23%	0.226	S	C	*	.	H	α-helix	trans	-55.6	-37.5	-178.6	-27.9	34.7	0	0	0	114.3	M644 E645 T646	P642-M644 VanDerWaalsContact C-N 3.33Å; P642-M644 PolarHBondContact O-N 3.36Å; P642-E645 PolarHBondContact O-N 3.14Å; P642-T646 WeakPolarHBondContact O-CB 3.45Å; P642-T646 PolarHBondContact O-N 2.78Å; P642-T646 PolarHBondContact O-OG1 2.63Å
643	I	94.1	Very high	92.4	Very high	67 Å²	67	44 Å²	44	34%	0.344	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-42.3	174.5	-62.5	174	0	0	0	111.2	H641 T646 L647 L667	H641-I643 VanDerWaalsContact C-N 3.26Å; H641-I643 VanDerWaalsContact CE1-CD1 3.47Å; H641-I643 WeakPolarHBondContact CE1-CD1 3.46Å; H641-I643 VanDerWaalsContact CE1-CG1 3.48Å; H641-I643 WeakPolarHBondContact CE1-CG1 3.42Å; H641-I643 WeakPolarHBondContact ND1-CB 3.44Å; H641-I643 PolarHBondContact ND1-N 3.26Å; H641-I643 VanDerWaalsContact ND1-N 3.15Å; H641-I643 PolarHBondContact O-N 2.87Å; H641-I643 VanDerWaalsContact O-N 3.16Å; I643-T646 PolarHBondContact O-N 3.17Å; I643-L647 HydrophobicContact CG2-CD1 4Å; I643-L647 HydrophobicContact CG2-CG 4.41Å; I643-L647 WeakPolarHBondContact O-CB 3.43Å; I643-L647 WeakPolarHBondContact O-CG 3.48Å; I643-L647 PolarHBondContact O-N 2.99Å; I643-L667 HydrophobicContact CG2-CD1 3.91Å; I643-L667 HydrophobicContact CG2-CD2 4.41Å
644	M	94.1	Very high	92	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-39.7	-177.9	-73	-59.3	175.6	0	0	111.8	F569 M576 P597 C598 I637 N638 H641 P642 L647 R648 L667	F569-M644 HydrophobicContact CE1-CB 4.21Å; M576-M644 HydrophobicContact CE-CE 4.37Å; P597-M644 HydrophobicContact CB-CE 4.06Å; P597-M644 HydrophobicContact CB-CG 4.38Å; P597-M644 WeakPolarHBondContact O-CE 3.39Å; C598-M644 HydrophobicContact CB-CE 3.64Å; I637-M644 HydrophobicContact CB-CE 3.99Å; I637-M644 HydrophobicContact CB-SD 4.14Å; I637-M644 HydrophobicContact CG2-CE 3.78Å; I637-M644 HydrophobicContact CG2-SD 4.21Å; N638-M644 VanDerWaalsContact O-CB 3.29Å; N638-M644 WeakPolarHBondContact O-CB 3.18Å; N638-M644 VanDerWaalsContact O-CG 3.29Å; N638-M644 WeakPolarHBondContact O-CG 3.49Å; H641-M644 HydrophobicContact CB-CB 4.39Å; H641-M644 HydrophobicContact CB-CG 4.3Å; H641-M644 PolarHBondContact O-N 2.74Å; P642-M644 VanDerWaalsContact C-N 3.33Å; P642-M644 PolarHBondContact O-N 3.36Å; M644-L647 PolarHBondContact O-N 3.2Å; M644-L647 HydrophobicContact SD-CD1 4.03Å; M644-R648 PolarHBondContact O-N 2.91Å; M644-L667 HydrophobicContact CE-CD1 4.46Å
645	E	92.9	Very high	91.2	Very high	48 Å²	48	51.6 Å²	51.6	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-40.6	174.4	179.9	53.5	-155.6	0	0	111.7	F569 H641 P642 L647 R648 Q649	F569-E645 WeakPolarHBondContact CZ-OE2 3.24Å; H641-E645 PolarHBondContact O-N 3.32Å; H641-E645 VanDerWaalsContact O-N 3.13Å; P642-E645 PolarHBondContact O-N 3.14Å; E645-L647 PolarHBondContact O-N 2.76Å; E645-R648 WeakPolarHBondContact O-CB 3.2Å; E645-R648 PolarHBondContact O-N 3Å; E645-R648 IonicContact OE1-CZ 3.11Å; E645-R648 IonicContact OE1-NE 2.73Å; E645-R648 PolarHBondContact OE1-NE 2.84Å; E645-R648 IonicContact OE1-NH2 3.5Å; E645-R648 PolarHBondContact OE1-NH2 3.09Å; E645-R648 IonicContact OE2-CZ 3.05Å; E645-R648 IonicContact OE2-NE 2.77Å; E645-R648 PolarHBondContact OE2-NE 3.18Å; E645-R648 IonicContact OE2-NH2 3.99Å; E645-Q649 WeakPolarHBondContact O-CG 3.38Å; E645-Q649 PolarHBondContact O-N 2.74Å; E645-Q649 PolarHBondContact OE1-NE2 3.37Å
646	T	92.6	Very high	90.5	Very high	73 Å²	73	57.2 Å²	57.2	45%	0.448	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-41.5	175.2	-54	0	0	0	0	111.5	P642 I643 R648 Q649 K650	P642-T646 WeakPolarHBondContact O-CB 3.45Å; P642-T646 PolarHBondContact O-N 2.78Å; P642-T646 PolarHBondContact O-OG1 2.63Å; I643-T646 PolarHBondContact O-N 3.17Å; T646-R648 VanDerWaalsContact C-N 3.34Å; T646-Q649 PolarHBondContact O-N 3.34Å; T646-K650 WeakPolarHBondContact O-CB 3.49Å; T646-K650 PolarHBondContact O-N 3.07Å
647	L	91.1	Very high	89.8	Confident	2 Å²	2	59 Å²	59	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-40.7	175.2	-82.3	172.2	0	0	0	112	L572 I643 M644 E645 K650 A651 V660 L663 V664 L667	L572-L647 HydrophobicContact CD1-CB 4.19Å; L572-L647 HydrophobicContact CD2-CB 4.16Å; I643-L647 HydrophobicContact CG2-CD1 4Å; I643-L647 HydrophobicContact CG2-CG 4.41Å; I643-L647 WeakPolarHBondContact O-CB 3.43Å; I643-L647 WeakPolarHBondContact O-CG 3.48Å; I643-L647 PolarHBondContact O-N 2.99Å; M644-L647 PolarHBondContact O-N 3.2Å; M644-L647 HydrophobicContact SD-CD1 4.03Å; E645-L647 PolarHBondContact O-N 2.76Å; L647-K650 PolarHBondContact O-N 3.28Å; L647-A651 WeakPolarHBondContact O-CB 3.41Å; L647-A651 PolarHBondContact O-N 2.66Å; L647-V660 HydrophobicContact CD2-CG1 4.13Å; L647-L663 HydrophobicContact CD2-CD2 3.85Å; L647-L663 HydrophobicContact CD2-CG 4.32Å; L647-L663 HydrophobicContact CG-CD2 4.37Å; L647-V664 HydrophobicContact CD2-CG2 4.31Å; L647-L667 HydrophobicContact CD1-CD1 3.43Å; L647-L667 VanDerWaalsContact CD1-CD1 3.43Å
648	R	92.4	Very high	89	Confident	34 Å²	34	66.6 Å²	66.6	13%	0.128	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-50.5	175.4	-168.6	-170.8	67.3	73.6	7.2	110.9	F569 L572 M644 E645 T646 A651 E652	F569-R648 HydrophobicContact CD1-CB 4.28Å; F569-R648 HydrophobicContact CD1-CG 4.33Å; F569-R648 HydrophobicContact CE1-CB 3.98Å; F569-R648 HydrophobicContact CE1-CG 4.35Å; L572-R648 HydrophobicContact CD2-CB 4.15Å; M644-R648 PolarHBondContact O-N 2.91Å; E645-R648 WeakPolarHBondContact O-CB 3.2Å; E645-R648 PolarHBondContact O-N 3Å; E645-R648 IonicContact OE1-CZ 3.11Å; E645-R648 IonicContact OE1-NE 2.73Å; E645-R648 PolarHBondContact OE1-NE 2.84Å; E645-R648 IonicContact OE1-NH2 3.5Å; E645-R648 PolarHBondContact OE1-NH2 3.09Å; E645-R648 IonicContact OE2-CZ 3.05Å; E645-R648 IonicContact OE2-NE 2.77Å; E645-R648 PolarHBondContact OE2-NE 3.18Å; E645-R648 IonicContact OE2-NH2 3.99Å; T646-R648 VanDerWaalsContact C-N 3.34Å; R648-A651 PolarHBondContact O-N 3.04Å; R648-E652 IonicContact CZ-OE1 2.97Å; R648-E652 IonicContact CZ-OE2 3.79Å; R648-E652 IonicContact NH1-OE1 3.71Å; R648-E652 PolarHBondContact NH1-OE1 3.08Å; R648-E652 IonicContact NH1-OE2 3.45Å; R648-E652 PolarHBondContact NH1-OE2 3.22Å; R648-E652 WeakPolarHBondContact O-CG 3.48Å; R648-E652 PolarHBondContact O-N 2.88Å
649	Q	91.4	Very high	88.2	Confident	105 Å²	105	69 Å²	69	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-43.4	179.8	-67.6	174.1	14.4	0	0	112.3	E645 T646 E652 A653	E645-Q649 WeakPolarHBondContact O-CG 3.38Å; E645-Q649 PolarHBondContact O-N 2.74Å; E645-Q649 PolarHBondContact OE1-NE2 3.37Å; T646-Q649 PolarHBondContact O-N 3.34Å; Q649-E652 PolarHBondContact O-N 3.11Å; Q649-A653 PolarHBondContact O-N 3.3Å
650	K	88.4	Confident	87.6	Confident	94 Å²	94	68.6 Å²	68.6	41%	0.409	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-42	176.4	-78.2	-164.4	168.4	-160.4	0	112.4	T646 L647 E652 A653 D654 V660	T646-K650 WeakPolarHBondContact O-CB 3.49Å; T646-K650 PolarHBondContact O-N 3.07Å; L647-K650 PolarHBondContact O-N 3.28Å; K650-E652 VanDerWaalsContact C-N 3.28Å; K650-E652 PolarHBondContact O-N 3.07Å; K650-A653 PolarHBondContact O-N 3.26Å; K650-D654 PolarHBondContact O-N 2.86Å; K650-V660 HydrophobicContact CB-CG2 3.73Å; K650-V660 HydrophobicContact CD-CG2 4.02Å
651	A	85.8	Confident	87.2	Confident	2 Å²	2	67.6 Å²	67.6	2%	0.017	35%	0.352	C	S	.	.	H	α-helix	trans	-67.4	-29.3	178	0	0	0	0	0	112.6	L572 I575 L647 R648	L572-A651 HydrophobicContact CD1-CB 3.9Å; I575-A651 HydrophobicContact CD1-CB 3.8Å; L647-A651 WeakPolarHBondContact O-CB 3.41Å; L647-A651 PolarHBondContact O-N 2.66Å; R648-A651 PolarHBondContact O-N 3.04Å
652	E	84.9	Confident	86.6	Confident	102 Å²	102	69.3 Å²	69.3	48%	0.477	36%	0.362	S	S	.	.	H	α-helix	trans	-71.1	-35.7	170.8	-77	173.7	177.4	0	0	112.5	R648 Q649 K650	R648-E652 IonicContact CZ-OE1 2.97Å; R648-E652 IonicContact CZ-OE2 3.79Å; R648-E652 IonicContact NH1-OE1 3.71Å; R648-E652 PolarHBondContact NH1-OE1 3.08Å; R648-E652 IonicContact NH1-OE2 3.45Å; R648-E652 PolarHBondContact NH1-OE2 3.22Å; R648-E652 WeakPolarHBondContact O-CG 3.48Å; R648-E652 PolarHBondContact O-N 2.88Å; Q649-E652 PolarHBondContact O-N 3.11Å; K650-E652 VanDerWaalsContact C-N 3.28Å; K650-E652 PolarHBondContact O-N 3.07Å
653	A	88	Confident	86.3	Confident	91 Å²	91	67.9 Å²	67.9	75%	0.752	35%	0.349	S	S	*	.	H	α-helix	trans	-72.5	-49.3	177.6	0	0	0	0	0	112.6	Q649 K650	Q649-A653 PolarHBondContact O-N 3.3Å; K650-A653 PolarHBondContact O-N 3.26Å
654	D	84.1	Confident	86.2	Confident	82 Å²	82	64.7 Å²	64.7	44%	0.439	33%	0.333	S	S	.	.			trans	-149.9	115.3	174.1	-174.6	3	0	0	0	111.6	K650 N656 D657	K650-D654 PolarHBondContact O-N 2.86Å; D654-N656 PolarHBondContact O-N 3.33Å; D654-N656 PolarHBondContact OD1-N 3.03Å; D654-D657 HydrophobicContact CB-CB 4.31Å
655	K	77	Confident	86	Confident	132 Å²	132	66.3 Å²	66.3	57%	0.574	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.8	-179.9	-30.2	-175.7	-171.7	-174.7	0	112.6	I575	I575-K655 HydrophobicContact CD1-CB 4.36Å
656	N	80.5	Confident	86	Confident	117 Å²	117	65 Å²	65	63%	0.626	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	5	-175.7	-73.6	-43	0	0	0	113.6	D654 K658	D654-N656 PolarHBondContact O-N 3.33Å; D654-N656 PolarHBondContact OD1-N 3.03Å; N656-K658 PolarHBondContact O-N 3.38Å; N656-K658 VanDerWaalsContact O-N 3.13Å
657	D	80.8	Confident	86	Confident	48 Å²	48	62.3 Å²	62.3	26%	0.257	32%	0.318	S	S	.	.			trans	-56.8	117.8	176.7	-176.2	-15.6	0	0	0	110.5	D654 S659 V660 K661	D654-D657 HydrophobicContact CB-CB 4.31Å; D657-S659 PolarHBondContact O-N 2.98Å; D657-S659 VanDerWaalsContact OD1-CB 3.3Å; D657-S659 WeakPolarHBondContact OD1-CB 3.49Å; D657-S659 PolarHBondContact OD1-N 3.46Å; D657-S659 PolarHBondContact OD1-OG 3.16Å; D657-S659 PolarHBondContact OD2-OG 3.32Å; D657-S659 VanDerWaalsContact OD2-OG 3.04Å; D657-V660 HydrophobicContact CB-CB 4.17Å; D657-V660 HydrophobicContact CB-CG2 3.79Å; D657-V660 WeakPolarHBondContact O-CB 3.32Å; D657-V660 PolarHBondContact O-N 3.08Å; D657-V660 VanDerWaalsContact O-N 3.15Å; D657-K661 PolarHBondContact O-N 2.82Å
658	K	78.7	Confident	86.2	Confident	160 Å²	160	62.6 Å²	62.6	70%	0.696	32%	0.32	S	S	*	.	H	α-helix	trans	-61.5	-34.5	-179.2	-168.8	177.7	177.9	-172.8	0	111.7	N656 V660 K661 D662	N656-K658 PolarHBondContact O-N 3.38Å; N656-K658 VanDerWaalsContact O-N 3.13Å; K658-V660 VanDerWaalsContact C-N 3.32Å; K658-V660 PolarHBondContact O-N 2.88Å; K658-K661 PolarHBondContact O-N 3.33Å; K658-D662 PolarHBondContact O-N 2.62Å
659	S	78	Confident	86.2	Confident	54 Å²	54	61.6 Å²	61.6	38%	0.378	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-35.3	177.4	75.7	0	0	0	0	112.2	D657 L663	D657-S659 PolarHBondContact O-N 2.98Å; D657-S659 VanDerWaalsContact OD1-CB 3.3Å; D657-S659 WeakPolarHBondContact OD1-CB 3.49Å; D657-S659 PolarHBondContact OD1-N 3.46Å; D657-S659 PolarHBondContact OD1-OG 3.16Å; D657-S659 PolarHBondContact OD2-OG 3.32Å; D657-S659 VanDerWaalsContact OD2-OG 3.04Å; S659-L663 VanDerWaalsContact O-CB 3.3Å; S659-L663 WeakPolarHBondContact O-CB 3.39Å; S659-L663 PolarHBondContact O-N 3.22Å
660	V	81.8	Confident	86.3	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-43.3	174.9	175.2	0	0	0	0	110.4	L647 K650 D657 K658 L663 V664	L647-V660 HydrophobicContact CD2-CG1 4.13Å; K650-V660 HydrophobicContact CB-CG2 3.73Å; K650-V660 HydrophobicContact CD-CG2 4.02Å; D657-V660 HydrophobicContact CB-CB 4.17Å; D657-V660 HydrophobicContact CB-CG2 3.79Å; D657-V660 WeakPolarHBondContact O-CB 3.32Å; D657-V660 PolarHBondContact O-N 3.08Å; D657-V660 VanDerWaalsContact O-N 3.15Å; K658-V660 VanDerWaalsContact C-N 3.32Å; K658-V660 PolarHBondContact O-N 2.88Å; V660-L663 PolarHBondContact O-N 3.42Å; V660-V664 HydrophobicContact CG1-CG2 4.4Å; V660-V664 WeakPolarHBondContact O-CB 3.15Å; V660-V664 VanDerWaalsContact O-CG2 3.27Å; V660-V664 WeakPolarHBondContact O-CG2 3.22Å; V660-V664 PolarHBondContact O-N 2.95Å
661	K	85.1	Confident	86.6	Confident	76 Å²	76	55.6 Å²	55.6	33%	0.33	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-47.9	176.9	-65	-174.7	178.1	173.8	0	112	I579 D657 K658 L663 V664 I665	I579-K661 HydrophobicContact CD1-CB 4.48Å; I579-K661 HydrophobicContact CD1-CG 3.96Å; I579-K661 HydrophobicContact CG1-CG 4.03Å; D657-K661 PolarHBondContact O-N 2.82Å; K658-K661 PolarHBondContact O-N 3.33Å; K661-L663 VanDerWaalsContact C-N 3.35Å; K661-L663 PolarHBondContact O-N 2.92Å; K661-V664 PolarHBondContact O-N 2.95Å; K661-I665 WeakPolarHBondContact O-CG1 3.37Å; K661-I665 PolarHBondContact O-N 3.25Å
662	D	83.2	Confident	86.9	Confident	72 Å²	72	56.1 Å²	56.1	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-39.6	179.4	-74.1	-30.3	0	0	0	112.1	K658 I665 L666	K658-D662 PolarHBondContact O-N 2.62Å; D662-I665 PolarHBondContact O-N 3.26Å; D662-L666 WeakPolarHBondContact O-CB 3.24Å; D662-L666 PolarHBondContact O-N 2.9Å
663	L	87.8	Confident	87.2	Confident	64 Å²	64	56 Å²	56	34%	0.335	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-39	177.2	-174.4	59.8	0	0	0	112.4	L647 S659 V660 K661 L666 L667	L647-L663 HydrophobicContact CD2-CD2 3.85Å; L647-L663 HydrophobicContact CD2-CG 4.32Å; L647-L663 HydrophobicContact CG-CD2 4.37Å; S659-L663 VanDerWaalsContact O-CB 3.3Å; S659-L663 WeakPolarHBondContact O-CB 3.39Å; S659-L663 PolarHBondContact O-N 3.22Å; V660-L663 PolarHBondContact O-N 3.42Å; K661-L663 VanDerWaalsContact C-N 3.35Å; K661-L663 PolarHBondContact O-N 2.92Å; L663-L666 HydrophobicContact CD1-CD2 4.11Å; L663-L666 PolarHBondContact O-N 2.85Å; L663-L667 HydrophobicContact CG-CD1 4.27Å; L663-L667 WeakPolarHBondContact O-CB 2.92Å; L663-L667 WeakPolarHBondContact O-CG 3.32Å; L663-L667 PolarHBondContact O-N 2.79Å
664	V	91.5	Very high	87.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-42.9	175.1	167.7	0	0	0	0	111	M576 I579 L580 L647 V660 K661 L667 F668	M576-V664 HydrophobicContact CB-CG1 4.24Å; M576-V664 HydrophobicContact CE-CG1 4.07Å; M576-V664 HydrophobicContact CE-CG2 4.41Å; M576-V664 HydrophobicContact CG-CG1 4.05Å; M576-V664 HydrophobicContact CG-CG2 4.06Å; I579-V664 HydrophobicContact CB-CG1 4.21Å; I579-V664 HydrophobicContact CD1-CB 4.15Å; I579-V664 HydrophobicContact CD1-CG1 4.19Å; I579-V664 HydrophobicContact CD1-CG2 4.1Å; I579-V664 HydrophobicContact CG2-CB 4.3Å; I579-V664 HydrophobicContact CG2-CG1 3.93Å; L580-V664 HydrophobicContact CD1-CG1 4.22Å; L580-V664 HydrophobicContact CD2-CG1 4.29Å; L580-V664 HydrophobicContact CG-CG1 4.09Å; L647-V664 HydrophobicContact CD2-CG2 4.31Å; V660-V664 HydrophobicContact CG1-CG2 4.4Å; V660-V664 WeakPolarHBondContact O-CB 3.15Å; V660-V664 VanDerWaalsContact O-CG2 3.27Å; V660-V664 WeakPolarHBondContact O-CG2 3.22Å; V660-V664 PolarHBondContact O-N 2.95Å; K661-V664 PolarHBondContact O-N 2.95Å; V664-L667 PolarHBondContact O-N 3.14Å; V664-F668 WeakPolarHBondContact O-CB 3.31Å; V664-F668 PolarHBondContact O-N 3.18Å
665	I	91	Very high	87.8	Confident	34 Å²	34	52 Å²	52	17%	0.174	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-43.9	177.1	-66.5	167.4	0	0	0	110.7	I579 L580 K661 D662 F668 E669	I579-I665 HydrophobicContact CG2-CD1 4.34Å; I579-I665 HydrophobicContact CG2-CG1 3.92Å; L580-I665 HydrophobicContact CD2-CG1 4.46Å; K661-I665 WeakPolarHBondContact O-CG1 3.37Å; K661-I665 PolarHBondContact O-N 3.25Å; D662-I665 PolarHBondContact O-N 3.26Å; I665-F668 WeakPolarHBondContact O-CB 3.16Å; I665-F668 PolarHBondContact O-N 3.48Å; I665-E669 HydrophobicContact CG2-CG 4.47Å; I665-E669 WeakPolarHBondContact CG2-OE1 3.42Å; I665-E669 WeakPolarHBondContact O-CG 3.25Å; I665-E669 PolarHBondContact O-N 2.85Å
666	L	91.4	Very high	88.3	Confident	21 Å²	21	47.1 Å²	47.1	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-48.9	176	176.8	76.2	0	0	0	111.8	D662 L663 F668 E669 T670 I689 M692	D662-L666 WeakPolarHBondContact O-CB 3.24Å; D662-L666 PolarHBondContact O-N 2.9Å; L663-L666 HydrophobicContact CD1-CD2 4.11Å; L663-L666 PolarHBondContact O-N 2.85Å; L666-F668 VanDerWaalsContact C-N 3.26Å; L666-F668 PolarHBondContact O-N 2.88Å; L666-E669 PolarHBondContact O-N 2.78Å; L666-T670 WeakPolarHBondContact O-CB 3.36Å; L666-T670 PolarHBondContact O-N 3.41Å; L666-T670 PolarHBondContact O-OG1 2.88Å; L666-I689 HydrophobicContact CD1-CG1 4.4Å; L666-M692 HydrophobicContact CD1-CE 3.44Å; L666-M692 VanDerWaalsContact CD1-CE 3.44Å; L666-M692 HydrophobicContact CD1-SD 4.48Å; L666-M692 HydrophobicContact CD2-CE 3.34Å; L666-M692 HydrophobicContact CD2-SD 3.38Å; L666-M692 WeakPolarHBondContact CD2-SD 3.31Å; L666-M692 HydrophobicContact CG-CE 3.96Å; L666-M692 HydrophobicContact CG-SD 4.43Å
667	L	93.7	Very high	88.8	Confident	16 Å²	16	42 Å²	42	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-41.6	178.4	-78	169.7	0	0	0	110.9	P597 I643 M644 L647 L663 V664 A671	P597-L667 HydrophobicContact CB-CD2 4.48Å; P597-L667 HydrophobicContact CG-CD2 4.05Å; I643-L667 HydrophobicContact CG2-CD1 3.91Å; I643-L667 HydrophobicContact CG2-CD2 4.41Å; M644-L667 HydrophobicContact CE-CD1 4.46Å; L647-L667 HydrophobicContact CD1-CD1 3.43Å; L647-L667 VanDerWaalsContact CD1-CD1 3.43Å; L663-L667 HydrophobicContact CG-CD1 4.27Å; L663-L667 WeakPolarHBondContact O-CB 2.92Å; L663-L667 WeakPolarHBondContact O-CG 3.32Å; L663-L667 PolarHBondContact O-N 2.79Å; V664-L667 PolarHBondContact O-N 3.14Å; L667-A671 WeakPolarHBondContact O-CB 3.24Å; L667-A671 PolarHBondContact O-N 3.24Å
668	F	94.5	Very high	89.1	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-51	175.7	167.1	-99.1	0	0	0	112.3	L580 K583 V584 I600 V664 I665 L666 T670 A671 L672	L580-F668 HydrophobicContact CD1-CB 3.97Å; L580-F668 HydrophobicContact CD1-CD2 3.96Å; L580-F668 HydrophobicContact CD1-CG 4.09Å; L580-F668 HydrophobicContact CD2-CB 3.62Å; L580-F668 HydrophobicContact CD2-CD1 3.98Å; L580-F668 HydrophobicContact CD2-CD2 4.25Å; L580-F668 HydrophobicContact CD2-CG 3.66Å; L580-F668 HydrophobicContact CG-CB 4.48Å; K583-F668 HydrophobicContact CB-CE1 3.93Å; K583-F668 HydrophobicContact CB-CE2 4.38Å; K583-F668 HydrophobicContact CB-CZ 3.72Å; K583-F668 HydrophobicContact CD-CD1 4.1Å; K583-F668 HydrophobicContact CD-CE1 3.63Å; K583-F668 HydrophobicContact CD-CZ 4.31Å; K583-F668 HydrophobicContact CG-CE1 4.38Å; V584-F668 HydrophobicContact CG1-CD2 3.75Å; V584-F668 HydrophobicContact CG1-CE2 3.25Å; V584-F668 HydrophobicContact CG1-CZ 4.17Å; I600-F668 HydrophobicContact CD1-CD2 3.64Å; I600-F668 HydrophobicContact CD1-CE2 3.58Å; I600-F668 HydrophobicContact CG1-CE2 4.38Å; V664-F668 WeakPolarHBondContact O-CB 3.31Å; V664-F668 PolarHBondContact O-N 3.18Å; I665-F668 WeakPolarHBondContact O-CB 3.16Å; I665-F668 PolarHBondContact O-N 3.48Å; L666-F668 VanDerWaalsContact C-N 3.26Å; L666-F668 PolarHBondContact O-N 2.88Å; F668-T670 VanDerWaalsContact C-N 3.34Å; F668-T670 PolarHBondContact O-N 3.31Å; F668-A671 PolarHBondContact O-N 3.43Å; F668-L672 HydrophobicContact CE1-CD1 3.87Å; F668-L672 HydrophobicContact CE2-CD1 3.98Å; F668-L672 HydrophobicContact CZ-CD1 3.34Å; F668-L672 WeakPolarHBondContact O-CB 3.13Å; F668-L672 PolarHBondContact O-N 3.02Å
669	E	92.9	Very high	89.5	Confident	13 Å²	13	37.6 Å²	37.6	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-38.7	-178.9	-70.6	171.1	-176.2	0	0	112	I665 L666 L672 L673 L679 H685 R688	I665-E669 HydrophobicContact CG2-CG 4.47Å; I665-E669 WeakPolarHBondContact CG2-OE1 3.42Å; I665-E669 WeakPolarHBondContact O-CG 3.25Å; I665-E669 PolarHBondContact O-N 2.85Å; L666-E669 PolarHBondContact O-N 2.78Å; E669-L672 WeakPolarHBondContact O-CB 3.48Å; E669-L672 PolarHBondContact O-N 3.37Å; E669-L673 PolarHBondContact O-N 2.86Å; E669-L679 HydrophobicContact CB-CD2 4.07Å; E669-L679 HydrophobicContact CG-CD2 4.46Å; E669-H685 WeakPolarHBondContact CB-ND1 3.45Å; E669-H685 IonicContact OE2-CE1 2.67Å; E669-H685 IonicContact OE2-CG 2.87Å; E669-H685 IonicContact OE2-ND1 2.86Å; E669-H685 PolarHBondContact OE2-ND1 3.15Å; E669-R688 IonicContact OE1-CZ 3.71Å; E669-R688 IonicContact OE1-NH1 2.78Å; E669-R688 PolarHBondContact OE1-NH1 3.24Å; E669-R688 IonicContact OE1-NH2 2.87Å; E669-R688 IonicContact OE2-CZ 3.96Å; E669-R688 IonicContact OE2-NH1 2.58Å; E669-R688 PolarHBondContact OE2-NH1 3.08Å
670	T	93.4	Very high	89.8	Confident	67 Å²	67	43.5 Å²	43.5	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-43.7	174.9	-51.2	0	0	0	0	110.7	L666 F668 L672 L673 S674	L666-T670 WeakPolarHBondContact O-CB 3.36Å; L666-T670 PolarHBondContact O-N 3.41Å; L666-T670 PolarHBondContact O-OG1 2.88Å; F668-T670 VanDerWaalsContact C-N 3.34Å; F668-T670 PolarHBondContact O-N 3.31Å; T670-L672 VanDerWaalsContact C-N 3.33Å; T670-L672 PolarHBondContact O-N 3.49Å; T670-L673 PolarHBondContact O-N 3.03Å; T670-S674 WeakPolarHBondContact O-CB 3.41Å; T670-S674 PolarHBondContact O-N 2.8Å; T670-S674 PolarHBondContact O-OG 2.86Å
671	A	93.9	Very high	90.1	Very high	5 Å²	5	47 Å²	47	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-40.5	175.1	0	0	0	0	0	111.4	I600 L635 L667 F668 L673 S674 S675	I600-A671 HydrophobicContact CD1-CB 4.44Å; I600-A671 HydrophobicContact CG1-CB 4.07Å; L635-A671 HydrophobicContact CD1-CB 4.43Å; L667-A671 WeakPolarHBondContact O-CB 3.24Å; L667-A671 PolarHBondContact O-N 3.24Å; F668-A671 PolarHBondContact O-N 3.43Å; A671-L673 PolarHBondContact O-N 3.33Å; A671-S674 WeakPolarHBondContact CA-OG 3.45Å; A671-S674 PolarHBondContact O-N 3.01Å; A671-S674 PolarHBondContact O-OG 3.44Å; A671-S675 VanDerWaalsContact O-CB 3.31Å; A671-S675 WeakPolarHBondContact O-CB 3.15Å; A671-S675 PolarHBondContact O-N 2.81Å; A671-S675 PolarHBondContact O-OG 3.07Å
672	L	92.5	Very high	90.4	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.073	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-45.4	178.3	-164.7	137.4	0	0	0	111.3	I600 K633 F668 E669 T670 S675 G676 F677 T678 L679	I600-L672 HydrophobicContact CG1-CB 4.13Å; K633-L672 HydrophobicContact CD-CD1 4.31Å; F668-L672 HydrophobicContact CE1-CD1 3.87Å; F668-L672 HydrophobicContact CE2-CD1 3.98Å; F668-L672 HydrophobicContact CZ-CD1 3.34Å; F668-L672 WeakPolarHBondContact O-CB 3.13Å; F668-L672 PolarHBondContact O-N 3.02Å; E669-L672 WeakPolarHBondContact O-CB 3.48Å; E669-L672 PolarHBondContact O-N 3.37Å; T670-L672 VanDerWaalsContact C-N 3.33Å; T670-L672 PolarHBondContact O-N 3.49Å; L672-S675 PolarHBondContact O-N 3.31Å; L672-G676 PolarHBondContact O-N 3.1Å; L672-F677 HydrophobicContact CD2-CB 3.42Å; L672-F677 VanDerWaalsContact CD2-CB 3.42Å; L672-F677 HydrophobicContact CD2-CG 4.49Å; L672-F677 HydrophobicContact CG-CB 3.65Å; L672-F677 HydrophobicContact CG-CD2 4.33Å; L672-F677 HydrophobicContact CG-CG 4.27Å; L672-F677 WeakPolarHBondContact O-CB 3.11Å; L672-F677 PolarHBondContact O-N 3.44Å; L672-T678 WeakPolarHBondContact CD2-O 3.45Å; L672-L679 HydrophobicContact CD2-CD2 4.04Å
673	L	91.2	Very high	90.8	Very high	100 Å²	100	49.1 Å²	49.1	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-48.3	173.8	-177.5	65.7	0	0	0	111.8	E669 T670 A671 S675 G676	E669-L673 PolarHBondContact O-N 2.86Å; T670-L673 PolarHBondContact O-N 3.03Å; A671-L673 PolarHBondContact O-N 3.33Å; L673-S675 PolarHBondContact O-N 3.36Å; L673-G676 PolarHBondContact O-N 3.33Å
674	S	91.6	Very high	90.9	Very high	74 Å²	74	48.8 Å²	48.8	52%	0.517	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-26.8	-179.5	73.7	0	0	0	0	113.6	T670 A671 G676	T670-S674 WeakPolarHBondContact O-CB 3.41Å; T670-S674 PolarHBondContact O-N 2.8Å; T670-S674 PolarHBondContact O-OG 2.86Å; A671-S674 WeakPolarHBondContact CA-OG 3.45Å; A671-S674 PolarHBondContact O-N 3.01Å; A671-S674 PolarHBondContact O-OG 3.44Å; S674-G676 VanDerWaalsContact C-N 3.27Å
675	S	92.5	Very high	90.8	Very high	14 Å²	14	49.8 Å²	49.8	10%	0.098	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	0.2	173.9	-74.9	0	0	0	0	113.5	F508 I600 A609 A671 L672 L673	F508-S675 WeakPolarHBondContact CZ-OG 3.4Å; I600-S675 PolarHBondContact N-OG 2.71Å; I600-S675 WeakPolarHBondContact O-CB 3.37Å; I600-S675 PolarHBondContact O-OG 3.44Å; A609-S675 WeakPolarHBondContact CB-O 3.45Å; A671-S675 VanDerWaalsContact O-CB 3.31Å; A671-S675 WeakPolarHBondContact O-CB 3.15Å; A671-S675 PolarHBondContact O-N 2.81Å; A671-S675 PolarHBondContact O-OG 3.07Å; L672-S675 PolarHBondContact O-N 3.31Å; L673-S675 PolarHBondContact O-N 3.36Å
676	G	88.9	Confident	90.8	Very high	29 Å²	29	49.2 Å²	49.2	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	16.2	176	0	0	0	0	0	115.2	L672 L673 S674	L672-G676 PolarHBondContact O-N 3.1Å; L673-G676 PolarHBondContact O-N 3.33Å; S674-G676 VanDerWaalsContact C-N 3.27Å
677	F	90.2	Very high	90.7	Very high	9 Å²	9	51.4 Å²	51.4	4%	0.039	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-88.5	152	173.4	-67.1	-84	0	0	0	111.8	I600 T602 A609 K633 L672	I600-F677 HydrophobicContact CB-CD2 4.31Å; I600-F677 HydrophobicContact CB-CE2 3.99Å; I600-F677 HydrophobicContact CG2-CD2 4.04Å; I600-F677 HydrophobicContact CG2-CE2 3.46Å; I600-F677 VanDerWaalsContact CG2-CE2 3.46Å; I600-F677 HydrophobicContact CG2-CZ 4.12Å; T602-F677 HydrophobicContact CG2-CE1 4.12Å; T602-F677 HydrophobicContact CG2-CE2 4.41Å; T602-F677 HydrophobicContact CG2-CZ 3.45Å; T602-F677 VanDerWaalsContact CG2-CZ 3.45Å; A609-F677 HydrophobicContact CB-CD1 3.71Å; A609-F677 HydrophobicContact CB-CD2 3.86Å; A609-F677 HydrophobicContact CB-CE1 3.64Å; A609-F677 HydrophobicContact CB-CE2 3.78Å; A609-F677 HydrophobicContact CB-CG 3.86Å; A609-F677 HydrophobicContact CB-CZ 3.71Å; K633-F677 HydrophobicContact CD-CD1 4.47Å; K633-F677 HydrophobicContact CD-CE1 4.25Å; K633-F677 HydrophobicContact CD-CZ 4.34Å; K633-F677 VanDerWaalsContact CE-CE1 3.41Å; K633-F677 HydrophobicContact CG-CE1 4.28Å; K633-F677 HydrophobicContact CG-CZ 4.11Å; L672-F677 HydrophobicContact CD2-CB 3.42Å; L672-F677 VanDerWaalsContact CD2-CB 3.42Å; L672-F677 HydrophobicContact CD2-CG 4.49Å; L672-F677 HydrophobicContact CG-CB 3.65Å; L672-F677 HydrophobicContact CG-CD2 4.33Å; L672-F677 HydrophobicContact CG-CG 4.27Å; L672-F677 WeakPolarHBondContact O-CB 3.11Å; L672-F677 PolarHBondContact O-N 3.44Å
678	T	87	Confident	90.3	Very high	88 Å²	88	52.6 Å²	52.6	54%	0.54	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-75.7	133.4	171.6	-38.1	0	0	0	0	110.6	L672	L672-T678 WeakPolarHBondContact CD2-O 3.45Å
679	L	87.6	Confident	90.1	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.147	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.8	139.8	169.7	-66.3	171.2	0	0	0	110.1	E669 L672 P682 H685	E669-L679 HydrophobicContact CB-CD2 4.07Å; E669-L679 HydrophobicContact CG-CD2 4.46Å; L672-L679 HydrophobicContact CD2-CD2 4.04Å; L679-P682 HydrophobicContact CB-CG 4.24Å; L679-H685 HydrophobicContact CD1-CB 4Å
680	E	84.4	Confident	89.8	Confident	178 Å²	178	60.8 Å²	60.8	83%	0.832	33%	0.331	S	S	*	.	S	Bend	trans	-64.7	-42.4	175	-68.2	176.9	170.1	0	0	111.4
681	D	88.1	Confident	89.3	Confident	78 Å²	78	64.4 Å²	64.4	42%	0.417	34%	0.337	S	S	.	.			trans	-139	96.4	176	179.8	1.1	0	0	0	110.2	Q683 T684 H685	D681-Q683 PolarHBondContact O-N 3.24Å; D681-Q683 WeakPolarHBondContact OD1-CA 3.36Å; D681-Q683 WeakPolarHBondContact OD1-CB 3.46Å; D681-Q683 PolarHBondContact OD1-N 3.04Å; D681-T684 PolarHBondContact O-N 3.16Å; D681-T684 PolarHBondContact OD1-N 3.04Å; D681-T684 VanDerWaalsContact OD2-CB 3.29Å; D681-T684 WeakPolarHBondContact OD2-CB 3.45Å; D681-T684 PolarHBondContact OD2-OG1 3.28Å; D681-H685 PolarHBondContact O-N 3.1Å
682	P	91.3	Very high	88.7	Confident	80 Å²	80	67.8 Å²	67.8	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-58.8	-29.8	175.6	-24.8	34.2	0	0	0	114	L679 H685 A686	L679-P682 HydrophobicContact CB-CG 4.24Å; P682-H685 PolarHBondContact O-N 2.84Å; P682-A686 PolarHBondContact O-N 2.82Å
683	Q	91.4	Very high	88.4	Confident	111 Å²	111	71.3 Å²	71.3	52%	0.519	37%	0.371	S	S	.	.	H	α-helix	trans	-71.4	-41.4	-177.6	-173	62.9	47.6	0	0	111.1	D681 H685 A686 N687	D681-Q683 PolarHBondContact O-N 3.24Å; D681-Q683 WeakPolarHBondContact OD1-CA 3.36Å; D681-Q683 WeakPolarHBondContact OD1-CB 3.46Å; D681-Q683 PolarHBondContact OD1-N 3.04Å; Q683-H685 VanDerWaalsContact C-N 3.3Å; Q683-H685 PolarHBondContact O-N 3.32Å; Q683-A686 PolarHBondContact O-N 3.35Å; Q683-N687 PolarHBondContact NE2-OD1 2.94Å; Q683-N687 WeakPolarHBondContact O-CB 3.5Å; Q683-N687 PolarHBondContact O-N 3.29Å; Q683-N687 PolarHBondContact O-ND2 2.8Å; Q683-N687 PolarHBondContact O-OD1 2.8Å
684	T	89.5	Confident	88.1	Confident	58 Å²	58	70.8 Å²	70.8	36%	0.356	36%	0.364	S	S	.	.	H	α-helix	trans	-62.2	-38.8	175.1	-71.5	0	0	0	0	111.7	D681 R688	D681-T684 PolarHBondContact O-N 3.16Å; D681-T684 PolarHBondContact OD1-N 3.04Å; D681-T684 VanDerWaalsContact OD2-CB 3.29Å; D681-T684 WeakPolarHBondContact OD2-CB 3.45Å; D681-T684 PolarHBondContact OD2-OG1 3.28Å; T684-R688 PolarHBondContact O-N 2.97Å
685	H	90.8	Very high	87.6	Confident	20 Å²	20	73.3 Å²	73.3	9%	0.093	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-48.5	174	-177.2	65.8	0	0	0	111.8	E669 L679 D681 P682 Q683 N687 R688 I689	E669-H685 WeakPolarHBondContact CB-ND1 3.45Å; E669-H685 IonicContact OE2-CE1 2.67Å; E669-H685 IonicContact OE2-CG 2.87Å; E669-H685 IonicContact OE2-ND1 2.86Å; E669-H685 PolarHBondContact OE2-ND1 3.15Å; L679-H685 HydrophobicContact CD1-CB 4Å; D681-H685 PolarHBondContact O-N 3.1Å; P682-H685 PolarHBondContact O-N 2.84Å; Q683-H685 VanDerWaalsContact C-N 3.3Å; Q683-H685 PolarHBondContact O-N 3.32Å; H685-N687 PolarHBondContact O-N 3.42Å; H685-R688 WeakPolarHBondContact O-CB 3.41Å; H685-R688 PolarHBondContact O-N 2.93Å; H685-I689 PolarHBondContact O-N 3.14Å; H685-I689 VanDerWaalsContact O-N 3.14Å
686	A	90.6	Very high	87.3	Confident	22 Å²	22	76 Å²	76	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-60.3	-43.7	177.9	0	0	0	0	0	112.3	P682 Q683 R688 I689 Y690	P682-A686 PolarHBondContact O-N 2.82Å; Q683-A686 PolarHBondContact O-N 3.35Å; A686-R688 VanDerWaalsContact C-N 3.25Å; A686-R688 PolarHBondContact O-N 2.92Å; A686-I689 WeakPolarHBondContact O-CA 3.43Å; A686-I689 WeakPolarHBondContact O-CB 3.31Å; A686-I689 PolarHBondContact O-N 3.13Å; A686-I689 VanDerWaalsContact O-N 3.07Å; A686-Y690 HydrophobicContact CB-CE2 4.07Å; A686-Y690 WeakPolarHBondContact O-CD2 3.23Å; A686-Y690 VanDerWaalsContact O-CG 3.27Å; A686-Y690 PolarHBondContact O-N 3.21Å
687	N	87.9	Confident	87.2	Confident	67 Å²	67	80.7 Å²	80.7	36%	0.358	42%	0.419	S	S	.	.	H	α-helix	trans	-58.8	-37.2	177	-71	-15.1	0	0	0	112.1	Q683 H685 Y690 R691	Q683-N687 PolarHBondContact NE2-OD1 2.94Å; Q683-N687 WeakPolarHBondContact O-CB 3.5Å; Q683-N687 PolarHBondContact O-N 3.29Å; Q683-N687 PolarHBondContact O-ND2 2.8Å; Q683-N687 PolarHBondContact O-OD1 2.8Å; H685-N687 PolarHBondContact O-N 3.42Å; N687-Y690 PolarHBondContact O-N 3.28Å; N687-R691 WeakPolarHBondContact O-CG 3.4Å; N687-R691 PolarHBondContact O-N 2.95Å
688	R	86.3	Confident	87	Confident	42 Å²	42	83.3 Å²	83.3	16%	0.158	45%	0.448	C	S	.	.	H	α-helix	trans	-67.9	-39.2	175.6	-167.2	173.8	-64.5	104.6	-1.4	111.9	E669 T684 H685 A686 R691 M692	E669-R688 IonicContact OE1-CZ 3.71Å; E669-R688 IonicContact OE1-NH1 2.78Å; E669-R688 PolarHBondContact OE1-NH1 3.24Å; E669-R688 IonicContact OE1-NH2 2.87Å; E669-R688 IonicContact OE2-CZ 3.96Å; E669-R688 IonicContact OE2-NH1 2.58Å; E669-R688 PolarHBondContact OE2-NH1 3.08Å; T684-R688 PolarHBondContact O-N 2.97Å; H685-R688 WeakPolarHBondContact O-CB 3.41Å; H685-R688 PolarHBondContact O-N 2.93Å; A686-R688 VanDerWaalsContact C-N 3.25Å; A686-R688 PolarHBondContact O-N 2.92Å; R688-R691 PolarHBondContact O-N 3Å; R688-M692 WeakPolarHBondContact O-CG 3.32Å; R688-M692 PolarHBondContact O-N 2.75Å; R688-M692 VanDerWaalsContact O-N 3.1Å
689	I	89.2	Confident	86.8	Confident	60 Å²	60	82.7 Å²	82.7	31%	0.308	44%	0.441	S	S	.	.	H	α-helix	trans	-61.7	-47.4	172.4	-64.9	171.3	0	0	0	110.3	L666 H685 A686 R691 M692 I693	L666-I689 HydrophobicContact CD1-CG1 4.4Å; H685-I689 PolarHBondContact O-N 3.14Å; H685-I689 VanDerWaalsContact O-N 3.14Å; A686-I689 WeakPolarHBondContact O-CA 3.43Å; A686-I689 WeakPolarHBondContact O-CB 3.31Å; A686-I689 PolarHBondContact O-N 3.13Å; A686-I689 VanDerWaalsContact O-N 3.07Å; I689-R691 VanDerWaalsContact C-N 3.31Å; I689-R691 PolarHBondContact O-N 3.07Å; I689-M692 HydrophobicContact CG1-CE 4.24Å; I689-M692 PolarHBondContact O-N 3.23Å; I689-M692 VanDerWaalsContact O-N 3.12Å; I689-I693 HydrophobicContact CG2-CD1 3.71Å; I689-I693 HydrophobicContact CG2-CG1 4.27Å; I689-I693 WeakPolarHBondContact O-CG1 3.47Å; I689-I693 PolarHBondContact O-N 3.26Å
690	Y	88.4	Confident	85.9	Confident	133 Å²	133	86.7 Å²	86.7	52%	0.522	46%	0.462	S	S	.	.	H	α-helix	trans	-59.1	-40.8	177.9	-59.6	-32.4	0	0	0	112.3	A686 N687 I693 K694	A686-Y690 HydrophobicContact CB-CE2 4.07Å; A686-Y690 WeakPolarHBondContact O-CD2 3.23Å; A686-Y690 VanDerWaalsContact O-CG 3.27Å; A686-Y690 PolarHBondContact O-N 3.21Å; N687-Y690 PolarHBondContact O-N 3.28Å; Y690-I693 PolarHBondContact O-N 3.41Å; Y690-K694 WeakPolarHBondContact O-CB 3.25Å; Y690-K694 WeakPolarHBondContact O-CG 3.29Å; Y690-K694 PolarHBondContact O-N 2.86Å
691	R	81.9	Confident	84.6	Confident	143 Å²	143	83.5 Å²	83.5	54%	0.54	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-43.2	173.8	-76.1	-178.1	172.4	150.9	7.6	113	N687 R688 I689 K694 L695 E701	N687-R691 WeakPolarHBondContact O-CG 3.4Å; N687-R691 PolarHBondContact O-N 2.95Å; R688-R691 PolarHBondContact O-N 3Å; I689-R691 VanDerWaalsContact C-N 3.31Å; I689-R691 PolarHBondContact O-N 3.07Å; R691-K694 WeakPolarHBondContact O-CB 3.33Å; R691-K694 PolarHBondContact O-N 3.04Å; R691-L695 WeakPolarHBondContact O-CG 3.46Å; R691-L695 PolarHBondContact O-N 3.47Å; R691-E701 VanDerWaalsContact CD-OE1 3.27Å; R691-E701 WeakPolarHBondContact CD-OE1 3.12Å; R691-E701 WeakPolarHBondContact CG-OE1 3.25Å; R691-E701 IonicContact CZ-OE1 3.83Å; R691-E701 IonicContact NE-OE1 3.9Å; R691-E701 PolarHBondContact NE-OE1 3.38Å
692	M	81.9	Confident	82.8	Confident	75 Å²	75	87 Å²	87	37%	0.369	47%	0.466	S	S	.	.	H	α-helix	trans	-68.2	-36.8	177.2	-70.3	-173.3	-65	0	0	112.8	L666 R688 I689 K694 L695 G696	L666-M692 HydrophobicContact CD1-CE 3.44Å; L666-M692 VanDerWaalsContact CD1-CE 3.44Å; L666-M692 HydrophobicContact CD1-SD 4.48Å; L666-M692 HydrophobicContact CD2-CE 3.34Å; L666-M692 HydrophobicContact CD2-SD 3.38Å; L666-M692 WeakPolarHBondContact CD2-SD 3.31Å; L666-M692 HydrophobicContact CG-CE 3.96Å; L666-M692 HydrophobicContact CG-SD 4.43Å; R688-M692 WeakPolarHBondContact O-CG 3.32Å; R688-M692 PolarHBondContact O-N 2.75Å; R688-M692 VanDerWaalsContact O-N 3.1Å; I689-M692 HydrophobicContact CG1-CE 4.24Å; I689-M692 PolarHBondContact O-N 3.23Å; I689-M692 VanDerWaalsContact O-N 3.12Å; M692-K694 VanDerWaalsContact C-N 3.35Å; M692-L695 PolarHBondContact O-N 3.22Å; M692-G696 PolarHBondContact O-N 3.28Å
693	I	85.5	Confident	80.5	Confident	89 Å²	89	89.5 Å²	89.5	46%	0.456	48%	0.475	S	S	.	.	H	α-helix	trans	-63.4	-45	173.8	-67.9	170.3	0	0	0	109.6	I689 Y690 L695 G696 L697	I689-I693 HydrophobicContact CG2-CD1 3.71Å; I689-I693 HydrophobicContact CG2-CG1 4.27Å; I689-I693 WeakPolarHBondContact O-CG1 3.47Å; I689-I693 PolarHBondContact O-N 3.26Å; Y690-I693 PolarHBondContact O-N 3.41Å; I693-L695 PolarHBondContact O-N 2.91Å; I693-G696 PolarHBondContact O-N 3.48Å; I693-L697 HydrophobicContact CG2-CD1 3.72Å; I693-L697 HydrophobicContact CG2-CG 4.28Å; I693-L697 WeakPolarHBondContact O-CB 3.47Å; I693-L697 VanDerWaalsContact O-CG 3.28Å; I693-L697 WeakPolarHBondContact O-CG 3.46Å; I693-L697 PolarHBondContact O-N 3.05Å
694	K	84.9	Confident	78.1	Confident	88 Å²	88	89.6 Å²	89.6	38%	0.383	48%	0.484	S	S	.	.	H	α-helix	trans	-55.9	-51.5	174.3	-77	-178.1	178.3	-166.8	0	111.6	Y690 R691 M692 G696 L697 G698 I699	Y690-K694 WeakPolarHBondContact O-CB 3.25Å; Y690-K694 WeakPolarHBondContact O-CG 3.29Å; Y690-K694 PolarHBondContact O-N 2.86Å; R691-K694 WeakPolarHBondContact O-CB 3.33Å; R691-K694 PolarHBondContact O-N 3.04Å; M692-K694 VanDerWaalsContact C-N 3.35Å; K694-G696 VanDerWaalsContact C-N 3.35Å; K694-G696 PolarHBondContact O-N 3.3Å; K694-L697 CarbonylContact O-C 3.55Å; K694-L697 PolarHBondContact O-N 3.31Å; K694-L697 VanDerWaalsContact O-N 3.16Å; K694-G698 PolarHBondContact O-N 3.46Å; K694-I699 HydrophobicContact CB-CB 3.97Å; K694-I699 HydrophobicContact CB-CG2 4.4Å; K694-I699 HydrophobicContact CD-CG2 4.37Å; K694-I699 HydrophobicContact CG-CB 4.13Å; K694-I699 HydrophobicContact CG-CD1 4.41Å; K694-I699 HydrophobicContact CG-CG2 4.14Å; K694-I699 PolarHBondContact O-N 3.06Å
695	L	81.4	Confident	75.6	Confident	128 Å²	128	93.1 Å²	93.1	67%	0.67	51%	0.505	S	S	*	.	H	α-helix	trans	-58.8	-43	176.3	-74.1	166.6	0	0	0	112.7	R691 M692 I693 L697 G698	R691-L695 WeakPolarHBondContact O-CG 3.46Å; R691-L695 PolarHBondContact O-N 3.47Å; M692-L695 PolarHBondContact O-N 3.22Å; I693-L695 PolarHBondContact O-N 2.91Å; L695-L697 VanDerWaalsContact C-N 3.29Å; L695-L697 PolarHBondContact O-N 2.98Å; L695-G698 PolarHBondContact O-N 2.95Å
696	G	85.2	Confident	73.2	Confident	71 Å²	71	96.8 Å²	96.8	73%	0.732	53%	0.533	S	S	*	.	H	α-helix	trans	-67.9	-27.1	178.5	0	0	0	0	0	113.9	M692 I693 K694	M692-G696 PolarHBondContact O-N 3.28Å; I693-G696 PolarHBondContact O-N 3.48Å; K694-G696 VanDerWaalsContact C-N 3.35Å; K694-G696 PolarHBondContact O-N 3.3Å
697	L	88.5	Confident	70.5	Confident	127 Å²	127	102.6 Å²	102.6	67%	0.665	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-0.7	175.1	-64.5	177.9	0	0	0	113.1	I693 K694 L695 I699	I693-L697 HydrophobicContact CG2-CD1 3.72Å; I693-L697 HydrophobicContact CG2-CG 4.28Å; I693-L697 WeakPolarHBondContact O-CB 3.47Å; I693-L697 VanDerWaalsContact O-CG 3.28Å; I693-L697 WeakPolarHBondContact O-CG 3.46Å; I693-L697 PolarHBondContact O-N 3.05Å; K694-L697 CarbonylContact O-C 3.55Å; K694-L697 PolarHBondContact O-N 3.31Å; K694-L697 VanDerWaalsContact O-N 3.16Å; L695-L697 VanDerWaalsContact C-N 3.29Å; L695-L697 PolarHBondContact O-N 2.98Å; L697-I699 VanDerWaalsContact C-N 3.34Å; L697-I699 HydrophobicContact CB-CD1 4.05Å; L697-I699 HydrophobicContact CB-CG1 4.09Å; L697-I699 HydrophobicContact CD1-CD1 4.26Å
698	G	85.6	Confident	67.8	Low	63 Å²	63	106.4 Å²	106.4	65%	0.649	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.3	24.7	-177.8	0	0	0	0	0	114.4	K694 L695	K694-G698 PolarHBondContact O-N 3.46Å; L695-G698 PolarHBondContact O-N 2.95Å
699	I	82.6	Confident	65.5	Low	75 Å²	75	108.9 Å²	108.9	39%	0.385	61%	0.611	S	S	.	*			trans	-87.9	105.9	174.9	-55.1	170.5	0	0	0	107.4	K694 L697	K694-I699 HydrophobicContact CB-CB 3.97Å; K694-I699 HydrophobicContact CB-CG2 4.4Å; K694-I699 HydrophobicContact CD-CG2 4.37Å; K694-I699 HydrophobicContact CG-CB 4.13Å; K694-I699 HydrophobicContact CG-CD1 4.41Å; K694-I699 HydrophobicContact CG-CG2 4.14Å; K694-I699 PolarHBondContact O-N 3.06Å; L697-I699 VanDerWaalsContact C-N 3.34Å; L697-I699 HydrophobicContact CB-CD1 4.05Å; L697-I699 HydrophobicContact CB-CG1 4.09Å; L697-I699 HydrophobicContact CD1-CD1 4.26Å
700	D	68.9	Low	62.8	Low	112 Å²	112	111.5 Å²	111.5	60%	0.599	63%	0.63	S	S	*	*			trans	-68.8	144.4	177	-95.5	-34	0	0	0	111.2	D702 D703	D700-D702 PolarHBondContact O-N 2.94Å; D700-D703 PolarHBondContact O-N 3.35Å; D700-D703 VanDerWaalsContact O-N 3.08Å
701	E	57.7	Low	60.3	Low	112 Å²	112	111 Å²	111	52%	0.523	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	-16.6	175.6	-76.2	-162.2	139	0	0	112.7	R691	R691-E701 VanDerWaalsContact CD-OE1 3.27Å; R691-E701 WeakPolarHBondContact CD-OE1 3.12Å; R691-E701 WeakPolarHBondContact CG-OE1 3.25Å; R691-E701 IonicContact CZ-OE1 3.83Å; R691-E701 IonicContact NE-OE1 3.9Å; R691-E701 PolarHBondContact NE-OE1 3.38Å
702	D	50.1	Low	57.8	Low	151 Å²	151	108.6 Å²	108.6	81%	0.807	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-7	175.3	-71.4	-28.8	0	0	0	113.6	D700 T704	D700-D702 PolarHBondContact O-N 2.94Å; D702-T704 PolarHBondContact O-N 3.29Å; D702-T704 VanDerWaalsContact O-N 3.13Å
703	D	42.8	Very low	55.6	Low	133 Å²	133	111.1 Å²	111.1	71%	0.711	68%	0.679	S	S	*	*			trans	-86.6	36.8	176.3	-119.5	5	0	0	0	111.6	D700 T705	D700-D703 PolarHBondContact O-N 3.35Å; D700-D703 VanDerWaalsContact O-N 3.08Å; D703-T705 PolarHBondContact O-N 3.08Å; D703-T705 VanDerWaalsContact O-N 3.15Å
704	T	40.3	Very low	53.2	Low	112 Å²	112	111.4 Å²	111.4	69%	0.687	69%	0.694	S	S	*	*			trans	-70.3	104.3	158	47.1	0	0	0	0	107.7	D702 S706	D702-T704 PolarHBondContact O-N 3.29Å; D702-T704 VanDerWaalsContact O-N 3.13Å; T704-S706 PolarHBondContact O-N 2.98Å
705	T	37.6	Very low	50.7	Low	132 Å²	132	115.9 Å²	115.9	81%	0.81	72%	0.717	S	S	*	*			trans	-41	104.8	161.8	46.2	0	0	0	0	110.3	D703	D703-T705 PolarHBondContact O-N 3.08Å; D703-T705 VanDerWaalsContact O-N 3.15Å
706	S	39.3	Very low	48.5	Very low	98 Å²	98	117 Å²	117	69%	0.685	72%	0.723	S	S	*	*			trans	-62.3	139.8	147.4	50.5	0	0	0	0	108.3	T704	T704-S706 PolarHBondContact O-N 2.98Å
707	D	34.6	Very low	46	Very low	143 Å²	143	122.3 Å²	122.3	77%	0.765	73%	0.731	S	S	*	*			trans	92.9	87.5	171.5	-55.6	-23.1	0	0	0	117
708	D	31.5	Very low	43.4	Very low	148 Å²	148	121.8 Å²	121.8	79%	0.791	74%	0.735	S	S	*	*				-144.3	75	111.9	-128.5	-18.5	0	0	0	110.5	T710	D708-T710 PolarHBondContact OD1-OG1 3.16Å
709	A	38.2	Very low	41.4	Very low	94 Å²	94	124 Å²	124	78%	0.777	74%	0.738	S	S	*	*			trans	-107.5	69.5	156.9	0	0	0	0	0	107.3	S711	A709-S711 PolarHBondContact O-N 3.06Å
710	T	31.3	Very low	39	Very low	115 Å²	115	127.5 Å²	127.5	71%	0.706	76%	0.757	S	S	*	*			trans	-88.1	101.1	164.3	38.6	0	0	0	0	108.9	D708 A712	D708-T710 PolarHBondContact OD1-OG1 3.16Å; T710-A712 PolarHBondContact O-N 3.12Å
711	S	37.3	Very low	37.2	Very low	122 Å²	122	130.5 Å²	130.5	85%	0.853	77%	0.767	S	S	*	*			trans	-51.6	120.5	157.5	39.9	0	0	0	0	110.3	A709	A709-S711 PolarHBondContact O-N 3.06Å
712	A	28.3	Very low	35.9	Very low	93 Å²	93	128.6 Å²	128.6	77%	0.769	78%	0.778	S	S	*	*			trans	-112	143.9	159.9	0	0	0	0	0	109.3	T710	T710-A712 PolarHBondContact O-N 3.12Å
713	P	35.2	Very low	35.1	Very low	128 Å²	128	128.7 Å²	128.7	83%	0.831	78%	0.779	S	S	*	*			trans	-87.7	158.5	-154	32.8	-28.1	0	0	0	113.4
714	A	37.1	Very low	34.7	Very low	94 Å²	94	129.4 Å²	129.4	78%	0.777	78%	0.782	S	S	*	*			trans	-61.5	133.5	166.3	0	0	0	0	0	111.3
715	E	32.1	Very low	34.5	Very low	183 Å²	183	132 Å²	132	86%	0.855	79%	0.792	S	S	*	*			trans	-166.4	133.5	138.9	-108.7	172.5	-164.4	0	0	111.5
716	D	33.8	Very low	34.3	Very low	150 Å²	150	129.2 Å²	129.2	80%	0.802	78%	0.783	S	S	*	*			trans	67	98.1	157.6	-73.3	-16.4	0	0	0	123.1
717	M	32.5	Very low	34.4	Very low	183 Å²	183	129.9 Å²	129.9	90%	0.901	79%	0.787	S	S	*	*				-137.4	140.8	122.9	-97.9	-170.5	-70.6	0	0	110.9
718	P	35.8	Very low	34.4	Very low	117 Å²	117	134.2 Å²	134.2	76%	0.76	79%	0.793	S	S	*	*			trans	-87.4	171.2	-165.1	34.6	-29.9	0	0	0	114
719	P	41.8	Very low	34.8	Very low	108 Å²	108	135.4 Å²	135.4	70%	0.701	80%	0.795	S	S	*	*			trans	-105.7	177.2	-153	41	-34.6	0	0	0	115.6
720	L	33.5	Very low	34.7	Very low	149 Å²	149	139.9 Å²	139.9	78%	0.78	80%	0.801	S	S	*	*			trans	85.5	140	162.4	-65.4	151.9	0	0	0	114.7
721	E	31	Very low	35.3	Very low	175 Å²	175	143 Å²	143	82%	0.818	81%	0.807	S	S	*	*			cis	-165.7	137.8	30.4	-119.8	153.2	-149.2	0	0	105.6
722	G	30.9	Very low	35.6	Very low	73 Å²	73	143 Å²	143	75%	0.753	80%	0.801	S	S	*	*				132.5	130.3	84.3	0	0	0	0	0	111.1
723	D	31.5	Very low	36.3	Very low	153 Å²	153	149.5 Å²	149.5	82%	0.818	82%	0.824	S	S	*	*			trans	47.4	125.7	154.7	-72.9	-7.5	0	0	0	124.4
724	D	35.9	Very low	36.3	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	82%	0.823	S	S	*	*				29.9	119.7	126.4	-65.1	-20.9	0	0	0	118.8
725	D	34.5	Very low	36.3	Very low	167 Å²	167	153.6 Å²	153.6	89%	0.893	83%	0.826	S	S	*	*				-171.1	155.7	102.1	-135	-25.6	0	0	0	113
726	A	35.4	Very low	36.5	Very low	74 Å²	74	151.9 Å²	151.9	61%	0.612	82%	0.824	S	S	*	*			trans	-81.2	156.3	-178	0	0	0	0	0	114
727	S	39.9	Very low	36.7	Very low	112 Å²	112	152.1 Å²	152.1	78%	0.783	83%	0.825	S	S	*	*			trans	67.3	126.1	151.8	75.8	0	0	0	0	118.6
728	R	34	Very low	36.9	Very low	234 Å²	234	150.1 Å²	150.1	88%	0.883	82%	0.82	S	S	*	*				168.1	155.4	95.5	-130	171.3	164.6	169.2	-7	111.2
729	M	39.9	Very low	37	Very low	172 Å²	172	152.3 Å²	152.3	85%	0.847	82%	0.824	S	S	*	*			trans	-34.4	148.8	165.8	-67.2	163.1	175.5	0	0	115.7
730	E	36.7	Very low	36.7	Very low	189 Å²	189	155.5 Å²	155.5	88%	0.883	83%	0.833	S	S	*	*				-170	146.8	108	-110.3	175.2	176.7	0	0	112.3
731	E	43.7	Very low	36.9	Very low	180 Å²	180	156 Å²	156	84%	0.841	84%	0.837	S	S	*	*			trans	-53.3	154.3	160.6	-62.2	167.9	141.1	0	0	109.6
732	V	44.5	Very low	37.4	Very low	121 Å²	121	154.4 Å²	154.4	73%	0.733	84%	0.839	S	S	*	*				162.9	135	89.3	-177.6	0	0	0	0	102.2
733	D	42.1	Very low	38	Very low	231 Å²	231	161.8 Å²	161.8	100%	1.235	85%	0.847	S	S	*	*				-155.2	0	62.9	-104.4	-42.2	0	0	0	110.9

Retrieved 733 of 733 residues in 511.6 ms (Link to these results)

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