A0A096MH44_POEFO Loading...

SIS domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MH44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 600 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	32.9	Very low	29.9	Very low	248 Å²	248	159.5 Å²	159.5	100%	1.222	84%	0.841	S	S	*	*				0	97.7	0	-83.2	176.9	166.6	0	0	107.5
2	A	26.1	Very low	31.1	Very low	95 Å²	95	152.9 Å²	152.9	79%	0.785	81%	0.812	S	S	*	*			trans	-82.1	132.6	-176	0	0	0	0	0	110.1	V4	A2-V4 PolarHBondContact O-N 2.63Å
3	F	24.1	Very low	31.6	Very low	219 Å²	219	155.1 Å²	155.1	96%	0.961	81%	0.811	S	S	*	*			trans	-65.9	110.5	170.9	-91.7	-100.4	0	0	0	109.1	A5	F3-A5 PolarHBondContact O-N 3.27Å
4	V	26.8	Very low	33	Very low	132 Å²	132	149.9 Å²	149.9	80%	0.8	79%	0.794	S	S	*	*			trans	-81.1	109.8	167.4	177.3	0	0	0	0	107	A2 K6	A2-V4 PolarHBondContact O-N 2.63Å; V4-K6 PolarHBondContact O-N 3.2Å
5	A	26.3	Very low	34.9	Very low	92 Å²	92	142.5 Å²	142.5	76%	0.76	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.5	126.2	169.6	0	0	0	0	0	109.1	F3	F3-A5 PolarHBondContact O-N 3.27Å
6	K	24.1	Very low	36.8	Very low	188 Å²	188	136.1 Å²	136.1	82%	0.817	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-66.3	142.6	172.4	-74.6	177.3	176.7	174.9	0	109	V4 D8	V4-K6 PolarHBondContact O-N 3.2Å; K6-D8 PolarHBondContact O-N 3.36Å
7	P	31.8	Very low	39.1	Very low	122 Å²	122	130.4 Å²	130.4	79%	0.792	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-65	127.6	173.1	27.2	-31.7	0	0	0	109.1	R9	P7-R9 PolarHBondContact O-N 2.96Å
8	D	31.7	Very low	41.6	Very low	158 Å²	158	125.9 Å²	125.9	85%	0.845	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-54.8	123.7	177.6	-76.5	-42.2	0	0	0	110.4	K6 I10	K6-D8 PolarHBondContact O-N 3.36Å; D8-I10 PolarHBondContact O-N 3.32Å; D8-I10 VanDerWaalsContact O-N 3.14Å
9	R	31.5	Very low	44.1	Very low	240 Å²	240	119.3 Å²	119.3	91%	0.906	63%	0.632	S	S	*	*			trans	-63.3	110.9	160.1	-78	179.6	173.9	-176.9	-3.1	106.2	P7 D11	P7-R9 PolarHBondContact O-N 2.96Å; R9-D11 PolarHBondContact O-N 2.89Å; R9-D11 VanDerWaalsContact O-N 3.11Å
10	I	39	Very low	46.4	Very low	130 Å²	130	113.4 Å²	113.4	67%	0.667	60%	0.601	S	S	*	*			trans	-52.9	119.6	164.2	-62	171.8	0	0	0	106.3	D8 T12	D8-I10 PolarHBondContact O-N 3.32Å; D8-I10 VanDerWaalsContact O-N 3.14Å; I10-T12 HydrophobicContact CB-CG2 4.04Å; I10-T12 HydrophobicContact CG2-CG2 3.68Å; I10-T12 WeakPolarHBondContact O-CG2 3.49Å; I10-T12 PolarHBondContact O-N 2.9Å
11	D	34.7	Very low	48.4	Very low	131 Å²	131	110.4 Å²	110.4	70%	0.701	59%	0.589	S	S	*	*			trans	-71.6	78.3	175.5	-128.9	-13.3	0	0	0	107.9	R9 F13 S14	R9-D11 PolarHBondContact O-N 2.89Å; R9-D11 VanDerWaalsContact O-N 3.11Å; D11-F13 VanDerWaalsContact C-N 3.28Å; D11-F13 PolarHBondContact O-N 3.23Å; D11-S14 PolarHBondContact O-N 2.81Å
12	T	43.9	Very low	50.9	Low	80 Å²	80	102.3 Å²	102.3	49%	0.491	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	-14.5	-162.4	45.4	0	0	0	0	114.7	I10 I16	I10-T12 HydrophobicContact CB-CG2 4.04Å; I10-T12 HydrophobicContact CG2-CG2 3.68Å; I10-T12 WeakPolarHBondContact O-CG2 3.49Å; I10-T12 PolarHBondContact O-N 2.9Å; T12-I16 WeakPolarHBondContact O-CD1 3.48Å; T12-I16 WeakPolarHBondContact O-CG1 3.44Å
13	F	38.1	Very low	53.9	Low	181 Å²	181	104.6 Å²	104.6	79%	0.794	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-22.7	-179.5	-85.4	-82.3	0	0	0	114.1	D11	D11-F13 VanDerWaalsContact C-N 3.28Å; D11-F13 PolarHBondContact O-N 3.23Å
14	S	51.5	Low	57.1	Low	83 Å²	83	95.3 Å²	95.3	58%	0.58	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-35.8	-178.3	-178.3	0	0	0	0	112.8	D11	D11-S14 PolarHBondContact O-N 2.81Å
15	T	60.3	Low	60.2	Low	39 Å²	39	90.8 Å²	90.8	24%	0.239	49%	0.49	C	S	.	.	S	Bend	trans	-91.5	-10.5	-164.5	52.2	0	0	0	0	115.2	H17 D18 P36	T15-H17 VanDerWaalsContact C-N 3.3Å; T15-H17 PolarHBondContact O-N 3.46Å; T15-D18 WeakPolarHBondContact CA-OD2 3.42Å; T15-D18 PolarHBondContact O-N 3.32Å; T15-P36 VanDerWaalsContact O-CG 3.32Å; T15-P36 WeakPolarHBondContact O-CG 3.48Å
16	I	65.3	Low	63.2	Low	39 Å²	39	91 Å²	91	20%	0.2	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-33.8	-174.8	-70.1	173.5	0	0	0	112.2	T12 W19 L37 Q59	T12-I16 WeakPolarHBondContact O-CD1 3.48Å; T12-I16 WeakPolarHBondContact O-CG1 3.44Å; I16-W19 PolarHBondContact O-NE1 3.06Å; I16-W19 VanDerWaalsContact O-NE1 3.13Å; I16-L37 HydrophobicContact CG1-CD2 4.13Å; I16-Q59 PolarHBondContact O-NE2 3.14Å
17	H	76.1	Confident	66.3	Low	40 Å²	40	87.9 Å²	87.9	19%	0.185	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	0.9	-176.6	-63	-71.4	0	0	0	113.5	T15 W19 E20 Q66	T15-H17 VanDerWaalsContact C-N 3.3Å; T15-H17 PolarHBondContact O-N 3.46Å; H17-W19 PolarHBondContact O-N 3.32Å; H17-W19 VanDerWaalsContact O-N 3.07Å; H17-E20 IonicContact CE1-OE1 3.22Å; H17-E20 IonicContact CG-OE1 3.03Å; H17-E20 IonicContact ND1-OE1 2.69Å; H17-E20 PolarHBondContact ND1-OE1 2.91Å; H17-E20 VanDerWaalsContact O-CB 3.29Å; H17-E20 WeakPolarHBondContact O-CB 3.29Å; H17-E20 PolarHBondContact O-N 2.88Å; H17-Q66 HydrophobicContact CB-CG 4.17Å
18	D	84.2	Confident	69.1	Low	49 Å²	49	83.3 Å²	83.3	26%	0.262	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-53.5	-37.5	-177	-71.4	-7.2	0	0	0	112.2	T15 E20 S21 Y24 P36	T15-D18 WeakPolarHBondContact CA-OD2 3.42Å; T15-D18 PolarHBondContact O-N 3.32Å; D18-E20 PolarHBondContact O-N 3.2Å; D18-S21 VanDerWaalsContact O-CB 3.28Å; D18-S21 WeakPolarHBondContact O-CB 3.47Å; D18-S21 PolarHBondContact O-N 3.01Å; D18-S21 VanDerWaalsContact O-N 3.14Å; D18-Y24 HydrophobicContact CB-CD2 4.19Å; D18-Y24 HydrophobicContact CB-CE2 4.24Å; D18-Y24 WeakPolarHBondContact O-CB 3.48Å; D18-P36 HydrophobicContact CB-CB 4.14Å; D18-P36 HydrophobicContact CB-CG 4.07Å
19	W	90.3	Very high	72.1	Confident	0 Å²	0	77 Å²	77	0%	0	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-66.8	-20	-179.7	70.6	-90.5	0	0	0	113.9	I16 H17 S21 Y24 V30 K33 P36 Y69 A246 G248 P249	I16-W19 PolarHBondContact O-NE1 3.06Å; I16-W19 VanDerWaalsContact O-NE1 3.13Å; H17-W19 PolarHBondContact O-N 3.32Å; H17-W19 VanDerWaalsContact O-N 3.07Å; W19-S21 VanDerWaalsContact C-N 3.32Å; W19-Y24 HydrophobicContact CB-CD1 4.12Å; W19-Y24 HydrophobicContact CB-CE1 4.13Å; W19-V30 HydrophobicContact CE3-CG1 4.19Å; W19-V30 HydrophobicContact CZ3-CG1 3.83Å; W19-V30 HydrophobicContact CZ3-CG2 4.04Å; W19-K33 PolarHBondContact O-NZ 3.45Å; W19-K33 VanDerWaalsContact O-NZ 3.16Å; W19-P36 HydrophobicContact CB-CG 4.39Å; W19-Y69 HydrophobicContact CH2-CD2 4.15Å; W19-Y69 HydrophobicContact CZ3-CD2 4.06Å; W19-Y69 AromaticContact CZ3-CE2 3.98Å; W19-Y69 HydrophobicContact CZ3-CE2 3.98Å; W19-A246 HydrophobicContact CH2-CB 4.48Å; W19-G248 VanDerWaalsContact CH2-CA 3.49Å; W19-G248 VanDerWaalsContact CZ2-CA 3.44Å; W19-P249 HydrophobicContact CB-CG 3.71Å; W19-P249 HydrophobicContact CD2-CG 4.19Å; W19-P249 HydrophobicContact CE3-CG 4.34Å; W19-P249 HydrophobicContact CG-CG 3.91Å
20	E	90.1	Very high	75.1	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.009	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-76.8	-21.5	176.5	-61.6	-175.1	-151.3	0	0	111.9	H17 D18 A22 S65 Q66 T67 Y69	H17-E20 IonicContact CE1-OE1 3.22Å; H17-E20 IonicContact CG-OE1 3.03Å; H17-E20 IonicContact ND1-OE1 2.69Å; H17-E20 PolarHBondContact ND1-OE1 2.91Å; H17-E20 VanDerWaalsContact O-CB 3.29Å; H17-E20 WeakPolarHBondContact O-CB 3.29Å; H17-E20 PolarHBondContact O-N 2.88Å; D18-E20 PolarHBondContact O-N 3.2Å; E20-A22 PolarHBondContact O-N 2.8Å; E20-S65 VanDerWaalsContact OE2-CA 3.31Å; E20-S65 WeakPolarHBondContact OE2-CA 3.05Å; E20-S65 WeakPolarHBondContact OE2-CB 3.4Å; E20-S65 PolarHBondContact OE2-OG 3.41Å; E20-Q66 PolarHBondContact OE2-N 3.34Å; E20-T67 HydrophobicContact CB-CG2 4.23Å; E20-T67 VanDerWaalsContact O-CG2 3.32Å; E20-T67 WeakPolarHBondContact O-CG2 3.45Å; E20-Y69 HydrophobicContact CB-CD2 4.46Å; E20-Y69 HydrophobicContact CB-CE2 4.28Å; E20-Y69 HydrophobicContact CG-CD2 4.28Å; E20-Y69 HydrophobicContact CG-CE2 4.44Å
21	S	88.3	Confident	77.8	Confident	51 Å²	51	60.2 Å²	60.2	36%	0.357	35%	0.347	S	S	.	.	S	Bend	trans	-56.7	138	176.2	179	0	0	0	0	110.9	D18 W19 D23 Y24	D18-S21 VanDerWaalsContact O-CB 3.28Å; D18-S21 WeakPolarHBondContact O-CB 3.47Å; D18-S21 PolarHBondContact O-N 3.01Å; D18-S21 VanDerWaalsContact O-N 3.14Å; W19-S21 VanDerWaalsContact C-N 3.32Å; S21-D23 PolarHBondContact O-N 2.71Å; S21-D23 PolarHBondContact OG-N 2.73Å; S21-Y24 PolarHBondContact O-N 3.16Å; S21-Y24 VanDerWaalsContact O-N 3.12Å
22	A	84.8	Confident	80.6	Confident	78 Å²	78	55 Å²	55	65%	0.645	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.7	175	0	0	0	0	0	111.8	E20 P26	E20-A22 PolarHBondContact O-N 2.8Å; A22-P26 WeakPolarHBondContact O-CB 3.34Å
23	D	89	Confident	83	Confident	142 Å²	142	51.4 Å²	51.4	76%	0.759	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.8	-179.3	-58.6	-38.4	0	0	0	113.2	S21 E25	S21-D23 PolarHBondContact O-N 2.71Å; S21-D23 PolarHBondContact OG-N 2.73Å; D23-E25 PolarHBondContact O-N 3.38Å
24	Y	91.1	Very high	85.8	Confident	24 Å²	24	43 Å²	43	9%	0.094	26%	0.26	C	S	.	.	S	Bend	trans	-82	102.1	179.6	-169	-80.9	0	0	0	110.2	D18 W19 S21 K33 S34 P36	D18-Y24 HydrophobicContact CB-CD2 4.19Å; D18-Y24 HydrophobicContact CB-CE2 4.24Å; D18-Y24 WeakPolarHBondContact O-CB 3.48Å; W19-Y24 HydrophobicContact CB-CD1 4.12Å; W19-Y24 HydrophobicContact CB-CE1 4.13Å; S21-Y24 PolarHBondContact O-N 3.16Å; S21-Y24 VanDerWaalsContact O-N 3.12Å; Y24-K33 HydrophobicContact CD1-CD 4.19Å; Y24-K33 VanDerWaalsContact O-CE 3.32Å; Y24-K33 WeakPolarHBondContact O-CE 3.43Å; Y24-K33 PolarHBondContact O-NZ 2.99Å; Y24-S34 VanDerWaalsContact CE1-O 3.3Å; Y24-S34 WeakPolarHBondContact CE1-O 3.49Å; Y24-S34 PolarHBondContact OH-O 3.05Å; Y24-S34 PolarHBondContact OH-OG 3.31Å; Y24-P36 HydrophobicContact CE2-CB 4.26Å; Y24-P36 WeakPolarHBondContact OH-CD 3.2Å
25	E	91.7	Very high	87.9	Confident	38 Å²	38	39 Å²	39	18%	0.178	23%	0.232	C	C	.	.	S	Bend	trans	49.8	56.9	178.3	-59.3	179.8	-178.3	0	0	112.2	D23 T27 L28 K33 S34 K522	D23-E25 PolarHBondContact O-N 3.38Å; E25-T27 PolarHBondContact O-N 3.14Å; E25-T27 VanDerWaalsContact O-N 3.09Å; E25-L28 HydrophobicContact CB-CB 4.42Å; E25-L28 HydrophobicContact CB-CD1 4.21Å; E25-L28 HydrophobicContact CB-CG 4.45Å; E25-L28 PolarHBondContact O-N 3.33Å; E25-K33 HydrophobicContact CB-CG 4.16Å; E25-K33 WeakPolarHBondContact OE2-CA 3.41Å; E25-S34 WeakPolarHBondContact OE1-CB 3.44Å; E25-S34 PolarHBondContact OE1-OG 3.43Å; E25-S34 PolarHBondContact OE2-N 3.39Å; E25-K522 IonicContact OE1-NZ 3.47Å; E25-K522 PolarHBondContact OE1-NZ 3.24Å; E25-K522 IonicContact OE2-NZ 3.64Å
26	P	89.8	Confident	89.6	Confident	95 Å²	95	37.7 Å²	37.7	62%	0.617	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23	-168.1	22.9	-34.1	0	0	0	114	A22 L28	A22-P26 WeakPolarHBondContact O-CB 3.34Å; P26-L28 VanDerWaalsContact C-N 3.31Å
27	T	88.7	Confident	91	Very high	124 Å²	124	37.6 Å²	37.6	76%	0.761	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.3	-179.5	57.9	0	0	0	0	113	E25	E25-T27 PolarHBondContact O-N 3.14Å; E25-T27 VanDerWaalsContact O-N 3.09Å
28	L	91.7	Very high	92	Very high	25 Å²	25	35.7 Å²	35.7	13%	0.131	22%	0.215	C	C	.	.	S	Bend	trans	-105.9	137.3	-176.1	-61.6	-176.6	0	0	0	111.8	E25 P26 K33	E25-L28 HydrophobicContact CB-CB 4.42Å; E25-L28 HydrophobicContact CB-CD1 4.21Å; E25-L28 HydrophobicContact CB-CG 4.45Å; E25-L28 PolarHBondContact O-N 3.33Å; P26-L28 VanDerWaalsContact C-N 3.31Å; L28-K33 HydrophobicContact CB-CG 3.9Å; L28-K33 VanDerWaalsContact O-CE 3.3Å; L28-K33 WeakPolarHBondContact O-CE 3.29Å
29	P	93.9	Very high	92.3	Very high	25 Å²	25	38.8 Å²	38.8	16%	0.162	22%	0.223	C	C	.	.			trans	-65.9	153.8	167.4	31.6	-36.3	0	0	0	110.2	S31 E32 K33 Q211	P29-S31 PolarHBondContact O-N 3.02Å; P29-E32 HydrophobicContact CG-CB 3.92Å; P29-E32 HydrophobicContact CG-CG 3.72Å; P29-E32 PolarHBondContact O-N 3.2Å; P29-K33 PolarHBondContact O-N 3.45Å; P29-K33 VanDerWaalsContact O-N 3.12Å; P29-Q211 HydrophobicContact CB-CB 4.05Å
30	V	95.1	Very high	92.4	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-40.6	-176.5	174.6	0	0	0	0	112.7	W19 E32 K33 Y69 N207	W19-V30 HydrophobicContact CE3-CG1 4.19Å; W19-V30 HydrophobicContact CZ3-CG1 3.83Å; W19-V30 HydrophobicContact CZ3-CG2 4.04Å; V30-E32 VanDerWaalsContact C-N 3.26Å; V30-E32 PolarHBondContact O-N 3Å; V30-K33 PolarHBondContact O-N 3.37Å; V30-Y69 HydrophobicContact CG2-CE1 4.22Å; V30-N207 PolarHBondContact N-OD1 3.36Å
31	S	94.6	Very high	92.7	Very high	17 Å²	17	45 Å²	45	12%	0.119	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	179.6	67	0	0	0	0	115.1	P29 N207 G254	P29-S31 PolarHBondContact O-N 3.02Å; S31-N207 PolarHBondContact N-OD1 3.27Å; S31-N207 PolarHBondContact OG-ND2 2.89Å; S31-N207 PolarHBondContact OG-OD1 3.47Å; S31-G254 WeakPolarHBondContact O-CA 3.38Å; S31-G254 PolarHBondContact O-N 2.62Å
32	E	94.2	Very high	92.9	Very high	23 Å²	23	42.8 Å²	42.8	11%	0.107	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-10.3	-179.4	-62.2	-62.4	134.9	0	0	113	P29 V30 R515	P29-E32 HydrophobicContact CG-CB 3.92Å; P29-E32 HydrophobicContact CG-CG 3.72Å; P29-E32 PolarHBondContact O-N 3.2Å; V30-E32 VanDerWaalsContact C-N 3.26Å; V30-E32 PolarHBondContact O-N 3Å; E32-R515 IonicContact OE1-CZ 2.68Å; E32-R515 IonicContact OE1-NE 3.29Å; E32-R515 IonicContact OE1-NH2 2.94Å; E32-R515 PolarHBondContact OE1-NH2 2.85Å; E32-R515 IonicContact OE2-CZ 2.79Å; E32-R515 IonicContact OE2-NE 3.67Å; E32-R515 PolarHBondContact OE2-NE 2.91Å; E32-R515 IonicContact OE2-NH2 3.84Å; E32-R515 PolarHBondContact OE2-NH2 2.87Å
33	K	95.3	Very high	93.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.017	23%	0.234	C	C	.	.	S	Bend	trans	-60.1	156.4	174.2	-73.1	-174.2	-179.4	-155.6	0	111.1	W19 Y24 E25 L28 P29 V30 P249	W19-K33 PolarHBondContact O-NZ 3.45Å; W19-K33 VanDerWaalsContact O-NZ 3.16Å; Y24-K33 HydrophobicContact CD1-CD 4.19Å; Y24-K33 VanDerWaalsContact O-CE 3.32Å; Y24-K33 WeakPolarHBondContact O-CE 3.43Å; Y24-K33 PolarHBondContact O-NZ 2.99Å; E25-K33 HydrophobicContact CB-CG 4.16Å; E25-K33 WeakPolarHBondContact OE2-CA 3.41Å; L28-K33 HydrophobicContact CB-CG 3.9Å; L28-K33 VanDerWaalsContact O-CE 3.3Å; L28-K33 WeakPolarHBondContact O-CE 3.29Å; P29-K33 PolarHBondContact O-N 3.45Å; P29-K33 VanDerWaalsContact O-N 3.12Å; V30-K33 PolarHBondContact O-N 3.37Å; K33-P249 HydrophobicContact CB-CB 4Å; K33-P249 HydrophobicContact CB-CG 3.68Å; K33-P249 WeakPolarHBondContact O-CB 3.48Å
34	S	95.4	Very high	93.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-79.9	147	167	81.2	0	0	0	0	111.8	Y24 E25 P249 S253 Y501	Y24-S34 VanDerWaalsContact CE1-O 3.3Å; Y24-S34 WeakPolarHBondContact CE1-O 3.49Å; Y24-S34 PolarHBondContact OH-O 3.05Å; Y24-S34 PolarHBondContact OH-OG 3.31Å; E25-S34 WeakPolarHBondContact OE1-CB 3.44Å; E25-S34 PolarHBondContact OE1-OG 3.43Å; E25-S34 PolarHBondContact OE2-N 3.39Å; S34-P249 WeakPolarHBondContact O-CG 3.09Å; S34-S253 VanDerWaalsContact CA-OG 3.3Å; S34-S253 WeakPolarHBondContact CA-OG 3.42Å; S34-Y501 WeakPolarHBondContact CB-OH 3.42Å; S34-Y501 PolarHBondContact OG-OH 2.7Å
35	N	96.5	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-88.6	122.4	176.3	-165.2	-47.1	0	0	0	109.5	L37 T38 C56 Q59 P249 E250 N500	N35-L37 PolarHBondContact O-N 2.99Å; N35-L37 WeakPolarHBondContact OD1-CB 3.48Å; N35-L37 WeakPolarHBondContact OD1-CG 3.3Å; N35-L37 PolarHBondContact OD1-N 2.64Å; N35-T38 PolarHBondContact O-N 3.26Å; N35-T38 PolarHBondContact O-OG1 2.99Å; N35-C56 PolarHBondContact ND2-SG 3.37Å; N35-Q59 PolarHBondContact ND2-OE1 2.96Å; N35-P249 HydrophobicContact CB-CB 4.08Å; N35-P249 PolarHBondContact ND2-O 2.92Å; N35-E250 VanDerWaalsContact CB-O 3.23Å; N35-E250 WeakPolarHBondContact CB-O 3.3Å; N35-N500 PolarHBondContact N-ND2 3.24Å; N35-N500 PolarHBondContact O-ND2 3.37Å
36	P	95.1	Very high	94	Very high	12 Å²	12	41 Å²	41	8%	0.078	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.8	-179.1	24.4	-34.4	0	0	0	112.9	T15 D18 W19 Y24 T38	T15-P36 VanDerWaalsContact O-CG 3.32Å; T15-P36 WeakPolarHBondContact O-CG 3.48Å; D18-P36 HydrophobicContact CB-CB 4.14Å; D18-P36 HydrophobicContact CB-CG 4.07Å; W19-P36 HydrophobicContact CB-CG 4.39Å; Y24-P36 HydrophobicContact CE2-CB 4.26Å; Y24-P36 WeakPolarHBondContact OH-CD 3.2Å; P36-T38 VanDerWaalsContact C-N 3.3Å; P36-T38 PolarHBondContact O-N 3.35Å
37	L	95.4	Very high	94.3	Very high	36 Å²	36	39.6 Å²	39.6	19%	0.188	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-73.3	-18.7	-178.4	-56.8	177.3	0	0	0	113.6	I16 N35 A55	I16-L37 HydrophobicContact CG1-CD2 4.13Å; N35-L37 PolarHBondContact O-N 2.99Å; N35-L37 WeakPolarHBondContact OD1-CB 3.48Å; N35-L37 WeakPolarHBondContact OD1-CG 3.3Å; N35-L37 PolarHBondContact OD1-N 2.64Å; L37-A55 HydrophobicContact CD1-CB 4Å
38	T	96.4	Very high	94.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-117.6	13	-170.4	58.5	0	0	0	0	113.8	N35 P36 H40 I41 M52 C56 A251 N500	N35-T38 PolarHBondContact O-N 3.26Å; N35-T38 PolarHBondContact O-OG1 2.99Å; P36-T38 VanDerWaalsContact C-N 3.3Å; P36-T38 PolarHBondContact O-N 3.35Å; T38-H40 PolarHBondContact O-N 3.15Å; T38-I41 HydrophobicContact CG2-CD1 4.12Å; T38-I41 WeakPolarHBondContact O-CB 3.41Å; T38-I41 VanDerWaalsContact O-CG2 3.25Å; T38-I41 WeakPolarHBondContact O-CG2 3.29Å; T38-I41 PolarHBondContact O-N 3.33Å; T38-M52 HydrophobicContact CG2-CB 3.99Å; T38-C56 VanDerWaalsContact CG2-SG 3.52Å; T38-A251 VanDerWaalsContact CB-O 3.31Å; T38-A251 WeakPolarHBondContact CB-O 3.33Å; T38-A251 HydrophobicContact CG2-CB 4.01Å; T38-A251 PolarHBondContact OG1-O 3.34Å; T38-N500 WeakPolarHBondContact O-CB 3.36Å; T38-N500 WeakPolarHBondContact OG1-CB 3.33Å; T38-N500 PolarHBondContact OG1-ND2 3.36Å
39	R	91.9	Very high	95	Very high	115 Å²	115	34.5 Å²	34.5	43%	0.434	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-25.1	-174.6	-72.8	177.7	173.6	167.2	1.1	115.2	K499	R39-K499 WeakPolarHBondContact O-CA 3.44Å; R39-K499 VanDerWaalsContact O-CB 3.31Å; R39-K499 WeakPolarHBondContact O-CB 3.18Å
40	H	91.9	Very high	95.1	Very high	131 Å²	131	33.3 Å²	33.3	61%	0.606	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.5	22.8	-178.4	-54.2	-60.3	0	0	0	112.9	T38 D42 R43	T38-H40 PolarHBondContact O-N 3.15Å; H40-D42 PolarHBondContact O-N 2.91Å; H40-R43 PolarHBondContact O-N 2.77Å
41	I	95.7	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.2	-30	-178.6	-164.8	175.3	0	0	0	111.8	T38 R43 A44 I49 M52 L53 I252 I492 K499 N500	T38-I41 HydrophobicContact CG2-CD1 4.12Å; T38-I41 WeakPolarHBondContact O-CB 3.41Å; T38-I41 VanDerWaalsContact O-CG2 3.25Å; T38-I41 WeakPolarHBondContact O-CG2 3.29Å; T38-I41 PolarHBondContact O-N 3.33Å; I41-R43 PolarHBondContact O-N 3.4Å; I41-R43 VanDerWaalsContact O-N 3.17Å; I41-A44 PolarHBondContact O-N 3.19Å; I41-I49 HydrophobicContact CD1-CG2 4.2Å; I41-I49 HydrophobicContact CG1-CB 4.49Å; I41-I49 HydrophobicContact CG1-CG1 4.06Å; I41-I49 HydrophobicContact CG1-CG2 4.27Å; I41-M52 HydrophobicContact CB-SD 3.8Å; I41-M52 HydrophobicContact CG1-SD 3.9Å; I41-L53 HydrophobicContact CD1-CD2 3.99Å; I41-I252 HydrophobicContact CD1-CD1 4.36Å; I41-I252 HydrophobicContact CG2-CD1 3.79Å; I41-I492 HydrophobicContact CD1-CD1 3.97Å; I41-I492 HydrophobicContact CG1-CD1 3.97Å; I41-K499 WeakPolarHBondContact CG2-O 3.4Å; I41-N500 HydrophobicContact CG2-CB 4.1Å
42	D	93.6	Very high	95.3	Very high	6 Å²	6	41 Å²	41	3%	0.032	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.6	-20.5	177.3	63.7	-31	0	0	0	114.8	H40 V497 K499 R590	H40-D42 PolarHBondContact O-N 2.91Å; D42-V497 HydrophobicContact CB-CG1 4.41Å; D42-K499 WeakPolarHBondContact CB-O 3.43Å; D42-K499 VanDerWaalsContact CG-CA 3.44Å; D42-K499 PolarHBondContact N-O 3.45Å; D42-K499 WeakPolarHBondContact OD1-CA 3.25Å; D42-K499 PolarHBondContact OD2-N 2.99Å; D42-R590 PolarHBondContact O-NH1 2.93Å; D42-R590 WeakPolarHBondContact OD2-CD 3.27Å
43	R	90.8	Very high	95.5	Very high	157 Å²	157	40 Å²	40	59%	0.592	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-115.2	2.6	179	-60.6	-174.3	-177	-179	4	113.6	H40 I41 E594	H40-R43 PolarHBondContact O-N 2.77Å; I41-R43 PolarHBondContact O-N 3.4Å; I41-R43 VanDerWaalsContact O-N 3.17Å; R43-E594 IonicContact CZ-OE1 2.74Å; R43-E594 IonicContact CZ-OE2 3.38Å; R43-E594 IonicContact NE-OE1 3.83Å; R43-E594 PolarHBondContact NE-OE1 3Å; R43-E594 IonicContact NH2-OE1 2.98Å; R43-E594 PolarHBondContact NH2-OE1 3.14Å; R43-E594 IonicContact NH2-OE2 3.65Å; R43-E594 PolarHBondContact NH2-OE2 3.2Å
44	A	94.9	Very high	95.6	Very high	12 Å²	12	42.9 Å²	42.9	10%	0.099	21%	0.21	C	C	.	.			trans	-77.6	144.4	-174.6	0	0	0	0	0	111.3	I41 I49 M52	I41-A44 PolarHBondContact O-N 3.19Å; A44-I49 HydrophobicContact CB-CG1 3.72Å; A44-I49 WeakPolarHBondContact O-CD1 3.42Å; A44-M52 HydrophobicContact CB-CE 4.01Å
45	P	96.4	Very high	95.7	Very high	75 Å²	75	44.6 Å²	44.6	49%	0.487	22%	0.224	S	C	.	.			trans	-66.7	161.9	165.8	30.3	-35.8	0	0	0	110.5	S47 S48 I49	P45-S47 VanDerWaalsContact C-N 3.28Å; P45-S47 PolarHBondContact O-N 3.14Å; P45-S48 WeakPolarHBondContact O-CA 3.38Å; P45-S48 WeakPolarHBondContact O-CB 3.48Å; P45-S48 PolarHBondContact O-N 3.47Å; P45-I49 PolarHBondContact O-N 2.82Å
46	A	96.1	Very high	95.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55	-41.3	-173.8	0	0	0	0	0	113.5	S48 I49 M50 A308 M311 E312 F493	A46-S48 VanDerWaalsContact C-N 3.3Å; A46-S48 PolarHBondContact O-N 2.78Å; A46-I49 PolarHBondContact O-N 2.58Å; A46-M50 WeakPolarHBondContact O-CG 3.18Å; A46-M50 PolarHBondContact O-N 3.13Å; A46-A308 HydrophobicContact CB-CB 3.99Å; A46-M311 HydrophobicContact CB-SD 3.96Å; A46-E312 HydrophobicContact CB-CG 3.37Å; A46-E312 WeakPolarHBondContact CB-OE1 3.47Å; A46-F493 HydrophobicContact CB-CE2 4.13Å; A46-F493 HydrophobicContact CB-CZ 3.78Å
47	S	95.8	Very high	95.8	Very high	65 Å²	65	44.3 Å²	44.3	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-35.9	177.6	58.9	0	0	0	0	113	P45 K51	P45-S47 VanDerWaalsContact C-N 3.28Å; P45-S47 PolarHBondContact O-N 3.14Å; S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 3.41Å
48	S	97.4	Very high	95.9	Very high	42 Å²	42	44.3 Å²	44.3	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-75.8	-39.4	174.8	-68.5	0	0	0	0	111.7	P45 A46 M50 K51 M52	P45-S48 WeakPolarHBondContact O-CA 3.38Å; P45-S48 WeakPolarHBondContact O-CB 3.48Å; P45-S48 PolarHBondContact O-N 3.47Å; A46-S48 VanDerWaalsContact C-N 3.3Å; A46-S48 PolarHBondContact O-N 2.78Å; S48-M50 VanDerWaalsContact C-N 3.3Å; S48-M50 PolarHBondContact O-N 2.89Å; S48-K51 PolarHBondContact O-N 3.07Å; S48-M52 WeakPolarHBondContact O-CG 3.17Å; S48-M52 PolarHBondContact O-N 2.97Å
49	I	98	Very high	95.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.3	-49.5	171.3	-66.1	175.4	0	0	0	109.1	I41 A44 P45 A46 K51 M52 L53 M311 I492 F493	I41-I49 HydrophobicContact CD1-CG2 4.2Å; I41-I49 HydrophobicContact CG1-CB 4.49Å; I41-I49 HydrophobicContact CG1-CG1 4.06Å; I41-I49 HydrophobicContact CG1-CG2 4.27Å; A44-I49 HydrophobicContact CB-CG1 3.72Å; A44-I49 WeakPolarHBondContact O-CD1 3.42Å; P45-I49 PolarHBondContact O-N 2.82Å; A46-I49 PolarHBondContact O-N 2.58Å; I49-K51 PolarHBondContact O-N 3.39Å; I49-M52 PolarHBondContact O-N 3.15Å; I49-M52 VanDerWaalsContact O-N 3.12Å; I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.1Å; I49-L53 WeakPolarHBondContact O-CG 3.49Å; I49-L53 PolarHBondContact O-N 3.38Å; I49-M311 HydrophobicContact CB-CE 4.38Å; I49-M311 HydrophobicContact CB-SD 4.18Å; I49-M311 HydrophobicContact CD1-SD 4.35Å; I49-M311 HydrophobicContact CG2-CE 3.72Å; I49-M311 HydrophobicContact CG2-SD 3.89Å; I49-I492 HydrophobicContact CD1-CB 4.4Å; I49-I492 HydrophobicContact CD1-CD1 4.3Å; I49-I492 HydrophobicContact CD1-CG2 3.88Å; I49-I492 HydrophobicContact CG2-CD1 4.29Å; I49-F493 HydrophobicContact CD1-CE1 4.08Å; I49-F493 HydrophobicContact CD1-CZ 3.97Å
50	M	96.6	Very high	96	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-45.7	178.5	-80.1	-53.7	-58.4	0	0	113.1	A46 S48 M52 L53 Q54 Y301 I307 A308 M311 A485	A46-M50 WeakPolarHBondContact O-CG 3.18Å; A46-M50 PolarHBondContact O-N 3.13Å; S48-M50 VanDerWaalsContact C-N 3.3Å; S48-M50 PolarHBondContact O-N 2.89Å; M50-M52 VanDerWaalsContact C-N 3.34Å; M50-M52 PolarHBondContact O-N 2.89Å; M50-L53 PolarHBondContact O-N 3.09Å; M50-Q54 WeakPolarHBondContact O-CB 3.46Å; M50-Q54 PolarHBondContact O-N 3.28Å; M50-Y301 HydrophobicContact CE-CD1 3.7Å; M50-Y301 HydrophobicContact CE-CE1 3.65Å; M50-I307 HydrophobicContact CE-CB 3.89Å; M50-I307 HydrophobicContact CE-CD1 4.22Å; M50-I307 HydrophobicContact CE-CG2 3.64Å; M50-I307 HydrophobicContact SD-CB 4.17Å; M50-I307 HydrophobicContact SD-CG2 3.54Å; M50-I307 VanDerWaalsContact SD-CG2 3.54Å; M50-A308 HydrophobicContact CG-CB 3.79Å; M50-M311 HydrophobicContact CG-CE 3.86Å; M50-M311 HydrophobicContact SD-CE 3.43Å; M50-M311 WeakPolarHBondContact SD-CE 3.34Å; M50-A485 HydrophobicContact CE-CB 4.4Å; M50-A485 HydrophobicContact SD-CB 3.84Å
51	K	97	Very high	96.2	Very high	142 Å²	142	32.9 Å²	32.9	62%	0.617	18%	0.179	S	C	*	.	H	α-helix	trans	-61.3	-41.4	176.2	-72.3	174.3	-176.3	177.5	0	112.4	S47 S48 I49 A55	S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 3.41Å; S48-K51 PolarHBondContact O-N 3.07Å; I49-K51 PolarHBondContact O-N 3.39Å; K51-A55 WeakPolarHBondContact O-CB 3.32Å; K51-A55 PolarHBondContact O-N 3.13Å
52	M	98.1	Very high	95.9	Very high	38 Å²	38	34.9 Å²	34.9	19%	0.187	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-44.3	177.5	-66.9	178.1	-164	0	0	111.5	T38 I41 A44 S48 I49 M50 A55 C56	T38-M52 HydrophobicContact CG2-CB 3.99Å; I41-M52 HydrophobicContact CB-SD 3.8Å; I41-M52 HydrophobicContact CG1-SD 3.9Å; A44-M52 HydrophobicContact CB-CE 4.01Å; S48-M52 WeakPolarHBondContact O-CG 3.17Å; S48-M52 PolarHBondContact O-N 2.97Å; I49-M52 PolarHBondContact O-N 3.15Å; I49-M52 VanDerWaalsContact O-N 3.12Å; M50-M52 VanDerWaalsContact C-N 3.34Å; M50-M52 PolarHBondContact O-N 2.89Å; M52-A55 PolarHBondContact O-N 3.2Å; M52-C56 PolarHBondContact O-N 2.81Å; M52-C56 PolarHBondContact O-SG 2.75Å; M52-C56 VanDerWaalsContact O-SG 3.35Å
53	L	97.7	Very high	95.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-47.2	176.6	-66.4	-174.3	0	0	0	111.4	I41 I49 M50 A55 C56 D57 A251 M258 M311 A485	I41-L53 HydrophobicContact CD1-CD2 3.99Å; I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.1Å; I49-L53 WeakPolarHBondContact O-CG 3.49Å; I49-L53 PolarHBondContact O-N 3.38Å; M50-L53 PolarHBondContact O-N 3.09Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.08Å; L53-C56 WeakPolarHBondContact O-CB 3.45Å; L53-C56 PolarHBondContact O-N 3.31Å; L53-C56 VanDerWaalsContact O-N 3.15Å; L53-D57 PolarHBondContact O-N 3.26Å; L53-A251 HydrophobicContact CD2-CB 3.52Å; L53-M258 HydrophobicContact CD2-CE 3.73Å; L53-M311 HydrophobicContact CD1-CE 4.29Å; L53-A485 HydrophobicContact CD1-CB 3.79Å
54	Q	97.4	Very high	94.5	Very high	64 Å²	64	40.5 Å²	40.5	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-53.8	-48.5	173.6	179.6	179.7	7	0	0	111.5	M50 C56 D57 A58 Y301	M50-Q54 WeakPolarHBondContact O-CB 3.46Å; M50-Q54 PolarHBondContact O-N 3.28Å; Q54-C56 VanDerWaalsContact C-N 3.33Å; Q54-C56 PolarHBondContact O-N 3.23Å; Q54-D57 PolarHBondContact O-N 3.12Å; Q54-A58 VanDerWaalsContact O-CB 3.24Å; Q54-A58 WeakPolarHBondContact O-CB 3.4Å; Q54-A58 PolarHBondContact O-N 3.34Å; Q54-Y301 HydrophobicContact CB-CD1 3.52Å; Q54-Y301 HydrophobicContact CB-CD2 4.19Å; Q54-Y301 HydrophobicContact CB-CE1 3.75Å; Q54-Y301 HydrophobicContact CB-CE2 4.4Å; Q54-Y301 HydrophobicContact CB-CG 3.77Å; Q54-Y301 HydrophobicContact CG-CD1 3.86Å; Q54-Y301 HydrophobicContact CG-CD2 3.81Å; Q54-Y301 HydrophobicContact CG-CE1 4.42Å; Q54-Y301 HydrophobicContact CG-CE2 4.39Å; Q54-Y301 HydrophobicContact CG-CG 3.53Å
55	A	96.6	Very high	93.1	Very high	39 Å²	39	41.4 Å²	41.4	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-62.5	-40.8	179.9	0	0	0	0	0	111.7	L37 K51 M52 L53 Q59	L37-A55 HydrophobicContact CD1-CB 4Å; K51-A55 WeakPolarHBondContact O-CB 3.32Å; K51-A55 PolarHBondContact O-N 3.13Å; M52-A55 PolarHBondContact O-N 3.2Å; L53-A55 VanDerWaalsContact C-N 3.31Å; L53-A55 PolarHBondContact O-N 3.08Å; A55-Q59 WeakPolarHBondContact O-CG 3.31Å; A55-Q59 PolarHBondContact O-N 3.41Å
56	C	97.3	Very high	91.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-46.5	175.3	-73.3	0	0	0	0	112.7	N35 T38 M52 L53 Q54 A58 Q59 A251 K259	N35-C56 PolarHBondContact ND2-SG 3.37Å; T38-C56 VanDerWaalsContact CG2-SG 3.52Å; M52-C56 PolarHBondContact O-N 2.81Å; M52-C56 PolarHBondContact O-SG 2.75Å; M52-C56 VanDerWaalsContact O-SG 3.35Å; L53-C56 WeakPolarHBondContact O-CB 3.45Å; L53-C56 PolarHBondContact O-N 3.31Å; L53-C56 VanDerWaalsContact O-N 3.15Å; Q54-C56 VanDerWaalsContact C-N 3.33Å; Q54-C56 PolarHBondContact O-N 3.23Å; C56-A58 VanDerWaalsContact C-N 3.34Å; C56-Q59 VanDerWaalsContact O-CB 3.3Å; C56-Q59 WeakPolarHBondContact O-CB 3.41Å; C56-Q59 PolarHBondContact O-N 2.79Å; C56-A251 HydrophobicContact CB-CB 3.94Å; C56-K259 HydrophobicContact CB-CD 4.33Å; C56-K259 VanDerWaalsContact O-CD 3.27Å; C56-K259 WeakPolarHBondContact O-CD 3.4Å; C56-K259 WeakPolarHBondContact O-CE 3.36Å; C56-K259 PolarHBondContact O-NZ 3.48Å
57	D	97.9	Very high	90	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.027	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-36.8	179	-75.6	-54.6	0	0	0	111.4	L53 Q54 Q59 M60 L297 Y301 L481	L53-D57 PolarHBondContact O-N 3.26Å; Q54-D57 PolarHBondContact O-N 3.12Å; D57-Q59 PolarHBondContact O-N 2.63Å; D57-M60 HydrophobicContact CB-CE 4.17Å; D57-M60 WeakPolarHBondContact O-CB 3.43Å; D57-M60 VanDerWaalsContact O-CE 3.25Å; D57-M60 WeakPolarHBondContact O-CE 3.45Å; D57-M60 WeakPolarHBondContact O-CG 3.36Å; D57-M60 PolarHBondContact O-N 3.22Å; D57-M60 VanDerWaalsContact O-N 3.16Å; D57-L297 HydrophobicContact CB-CD1 3.82Å; D57-Y301 HydrophobicContact CB-CE2 4.2Å; D57-Y301 PolarHBondContact OD2-OH 2.84Å; D57-L481 HydrophobicContact CB-CD2 4.36Å
58	A	96.4	Very high	89	Confident	37 Å²	37	54 Å²	54	31%	0.306	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-25.4	173.6	0	0	0	0	0	113.2	Q54 C56 M60 F61 L297	Q54-A58 VanDerWaalsContact O-CB 3.24Å; Q54-A58 WeakPolarHBondContact O-CB 3.4Å; Q54-A58 PolarHBondContact O-N 3.34Å; C56-A58 VanDerWaalsContact C-N 3.34Å; A58-M60 PolarHBondContact O-N 2.82Å; A58-M60 VanDerWaalsContact O-N 3.13Å; A58-F61 PolarHBondContact O-N 3.4Å; A58-F61 VanDerWaalsContact O-N 3.09Å; A58-L297 HydrophobicContact CB-CD2 4.38Å
59	Q	95.4	Very high	88.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-57.3	-29	174.8	-71.7	172.7	-41.2	0	0	112.4	I16 N35 A55 C56 D57 F61 Q62 R71	I16-Q59 PolarHBondContact O-NE2 3.14Å; N35-Q59 PolarHBondContact ND2-OE1 2.96Å; A55-Q59 WeakPolarHBondContact O-CG 3.31Å; A55-Q59 PolarHBondContact O-N 3.41Å; C56-Q59 VanDerWaalsContact O-CB 3.3Å; C56-Q59 WeakPolarHBondContact O-CB 3.41Å; C56-Q59 PolarHBondContact O-N 2.79Å; D57-Q59 PolarHBondContact O-N 2.63Å; Q59-F61 PolarHBondContact O-N 2.69Å; Q59-F61 VanDerWaalsContact O-N 3.17Å; Q59-Q62 PolarHBondContact O-N 3.12Å; Q59-R71 PolarHBondContact O-NH2 2.99Å
60	M	95.4	Very high	88.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56.4	-32.5	177.8	-66.2	-171	-74.4	0	0	112.8	D57 A58 L72 L247 K259 A263 L297	D57-M60 HydrophobicContact CB-CE 4.17Å; D57-M60 WeakPolarHBondContact O-CB 3.43Å; D57-M60 VanDerWaalsContact O-CE 3.25Å; D57-M60 WeakPolarHBondContact O-CE 3.45Å; D57-M60 WeakPolarHBondContact O-CG 3.36Å; D57-M60 PolarHBondContact O-N 3.22Å; D57-M60 VanDerWaalsContact O-N 3.16Å; A58-M60 PolarHBondContact O-N 2.82Å; A58-M60 VanDerWaalsContact O-N 3.13Å; M60-L72 HydrophobicContact CB-CD2 4.29Å; M60-L72 WeakPolarHBondContact O-CB 3.45Å; M60-L72 WeakPolarHBondContact O-CD2 3.49Å; M60-L247 HydrophobicContact CB-CD2 4.38Å; M60-L247 HydrophobicContact CG-CB 4.33Å; M60-L247 HydrophobicContact CG-CD1 4.37Å; M60-L247 HydrophobicContact CG-CD2 4.23Å; M60-L247 HydrophobicContact SD-CD1 4.49Å; M60-K259 HydrophobicContact CG-CB 4.13Å; M60-K259 HydrophobicContact CG-CG 4.29Å; M60-K259 HydrophobicContact SD-CB 4Å; M60-K259 HydrophobicContact SD-CG 4.43Å; M60-A263 HydrophobicContact SD-CB 4.01Å; M60-L297 HydrophobicContact CE-CD1 4.42Å
61	F	95.2	Very high	87.9	Confident	6 Å²	6	56 Å²	56	3%	0.026	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-98.7	2.9	-173.7	-62.4	-80.2	0	0	0	114.1	A58 Q59 E63 L72 L73 I266 E294 L297	A58-F61 PolarHBondContact O-N 3.4Å; A58-F61 VanDerWaalsContact O-N 3.09Å; Q59-F61 PolarHBondContact O-N 2.69Å; Q59-F61 VanDerWaalsContact O-N 3.17Å; F61-E63 PolarHBondContact O-N 3.48Å; F61-L72 HydrophobicContact CD1-CD2 4.1Å; F61-L72 HydrophobicContact CE1-CD2 4Å; F61-L73 HydrophobicContact CB-CD1 4.46Å; F61-L73 HydrophobicContact CD1-CD1 4.42Å; F61-L73 HydrophobicContact CD1-CD2 4.47Å; F61-I266 HydrophobicContact CE1-CD1 4.45Å; F61-I266 HydrophobicContact CZ-CD1 3.73Å; F61-E294 HydrophobicContact CB-CB 4.48Å; F61-E294 HydrophobicContact CB-CG 4.07Å; F61-E294 HydrophobicContact CD1-CB 3.69Å; F61-E294 HydrophobicContact CD1-CG 4.21Å; F61-E294 HydrophobicContact CD2-CB 4.31Å; F61-E294 HydrophobicContact CD2-CG 4.36Å; F61-E294 HydrophobicContact CE1-CB 3.9Å; F61-E294 HydrophobicContact CE2-CB 4.49Å; F61-E294 HydrophobicContact CG-CB 3.9Å; F61-E294 HydrophobicContact CG-CG 3.96Å; F61-E294 HydrophobicContact CZ-CB 4.29Å; F61-L297 HydrophobicContact CD2-CD1 4.07Å; F61-L297 HydrophobicContact CE2-CB 4.38Å; F61-L297 HydrophobicContact CE2-CD1 3.76Å
62	Q	90.6	Very high	87.8	Confident	41 Å²	41	49.2 Å²	49.2	19%	0.192	25%	0.247	C	C	.	.			trans	-65.3	121.7	178.2	-67.6	171.7	-18.3	0	0	111.7	Q59 R71	Q59-Q62 PolarHBondContact O-N 3.12Å; Q62-R71 WeakPolarHBondContact O-CB 3.4Å; Q62-R71 WeakPolarHBondContact O-CG 3.42Å; Q62-R71 PolarHBondContact O-NE 3.31Å; Q62-R71 VanDerWaalsContact O-NE 3.17Å
63	E	82.8	Confident	87.7	Confident	108 Å²	108	48.2 Å²	48.2	51%	0.505	24%	0.242	S	C	.	.			trans	-78.8	-33.2	-176.2	-63.4	-175.6	179.2	0	0	113.4	F61 L73 R291	F61-E63 PolarHBondContact O-N 3.48Å; E63-L73 HydrophobicContact CG-CD1 4.12Å; E63-R291 IonicContact OE1-CZ 3.97Å; E63-R291 VanDerWaalsContact OE1-CZ 3.22Å; E63-R291 IonicContact OE1-NH1 2.74Å; E63-R291 PolarHBondContact OE1-NH1 3.08Å; E63-R291 IonicContact OE1-NH2 3.9Å; E63-R291 PolarHBondContact OE1-NH2 3.29Å
64	K	70.6	Confident	87.5	Confident	173 Å²	173	49.6 Å²	49.6	75%	0.752	25%	0.252	S	S	*	.			trans	-98.4	125.6	-177.2	-63.3	-177.2	-177.2	179.3	0	110.1
65	S	67.3	Low	87.4	Confident	32 Å²	32	52.5 Å²	52.5	22%	0.224	27%	0.266	C	S	.	.			trans	-99.3	143.2	160.2	-175.7	0	0	0	0	108.7	E20 T67	E20-S65 VanDerWaalsContact OE2-CA 3.31Å; E20-S65 WeakPolarHBondContact OE2-CA 3.05Å; E20-S65 WeakPolarHBondContact OE2-CB 3.4Å; E20-S65 PolarHBondContact OE2-OG 3.41Å; S65-T67 VanDerWaalsContact CB-O 3.27Å; S65-T67 WeakPolarHBondContact CB-O 3.4Å; S65-T67 PolarHBondContact O-N 2.88Å; S65-T67 PolarHBondContact OG-N 3.38Å; S65-T67 VanDerWaalsContact OG-N 3.09Å; S65-T67 PolarHBondContact OG-O 3.45Å; S65-T67 VanDerWaalsContact OG-O 3.06Å; S65-T67 PolarHBondContact OG-OG1 3.06Å
66	Q	63.8	Low	87.3	Confident	146 Å²	146	56.6 Å²	56.6	68%	0.682	28%	0.278	S	S	*	.	S	Bend	trans	-74.2	-11.3	167.3	-66.6	-175	-9.8	0	0	111.7	H17 E20	H17-Q66 HydrophobicContact CB-CG 4.17Å; E20-Q66 PolarHBondContact OE2-N 3.34Å
67	T	62.7	Low	87.2	Confident	56 Å²	56	56.5 Å²	56.5	34%	0.344	28%	0.277	S	S	.	.	S	Bend	trans	-126.1	-176.2	-178.1	58.9	0	0	0	0	110.7	E20 S65 Y69	E20-T67 HydrophobicContact CB-CG2 4.23Å; E20-T67 VanDerWaalsContact O-CG2 3.32Å; E20-T67 WeakPolarHBondContact O-CG2 3.45Å; S65-T67 VanDerWaalsContact CB-O 3.27Å; S65-T67 WeakPolarHBondContact CB-O 3.4Å; S65-T67 PolarHBondContact O-N 2.88Å; S65-T67 PolarHBondContact OG-N 3.38Å; S65-T67 VanDerWaalsContact OG-N 3.09Å; S65-T67 PolarHBondContact OG-O 3.45Å; S65-T67 VanDerWaalsContact OG-O 3.06Å; S65-T67 PolarHBondContact OG-OG1 3.06Å; T67-Y69 PolarHBondContact O-N 2.9Å; T67-Y69 WeakPolarHBondContact OG1-CD2 3.42Å; T67-Y69 VanDerWaalsContact OG1-CE2 3.29Å; T67-Y69 WeakPolarHBondContact OG1-CE2 3.25Å
68	Q	74.8	Confident	87.2	Confident	203 Å²	203	56.3 Å²	56.3	95%	0.949	28%	0.276	S	S	*	.	S	Bend	trans	-78.8	20.3	179	-73	-177.3	-10.5	0	0	114	Q70	Q68-Q70 PolarHBondContact O-N 3.38Å
69	Y	85.8	Confident	87.2	Confident	39 Å²	39	59.7 Å²	59.7	15%	0.153	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-69.2	127.2	176.8	-70.6	-55.1	0	0	0	111.6	W19 E20 V30 T67 R71 P208 A246	W19-Y69 HydrophobicContact CH2-CD2 4.15Å; W19-Y69 HydrophobicContact CZ3-CD2 4.06Å; W19-Y69 AromaticContact CZ3-CE2 3.98Å; W19-Y69 HydrophobicContact CZ3-CE2 3.98Å; E20-Y69 HydrophobicContact CB-CD2 4.46Å; E20-Y69 HydrophobicContact CB-CE2 4.28Å; E20-Y69 HydrophobicContact CG-CD2 4.28Å; E20-Y69 HydrophobicContact CG-CE2 4.44Å; V30-Y69 HydrophobicContact CG2-CE1 4.22Å; T67-Y69 PolarHBondContact O-N 2.9Å; T67-Y69 WeakPolarHBondContact OG1-CD2 3.42Å; T67-Y69 VanDerWaalsContact OG1-CE2 3.29Å; T67-Y69 WeakPolarHBondContact OG1-CE2 3.25Å; Y69-R71 PolarHBondContact O-N 2.89Å; Y69-P208 HydrophobicContact CD1-CG 3.71Å; Y69-P208 HydrophobicContact CE1-CG 3.46Å; Y69-P208 VanDerWaalsContact CE1-CG 3.46Å; Y69-A246 HydrophobicContact CD1-CB 3.97Å; Y69-A246 HydrophobicContact CG-CB 3.94Å
70	Q	90.3	Very high	87.3	Confident	39 Å²	39	60.8 Å²	60.8	18%	0.182	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-68.1	120.8	169.7	-169.5	-178.5	16.7	0	0	109.7	Q68 S74 E76 M77 P245 A246	Q68-Q70 PolarHBondContact O-N 3.38Å; Q70-S74 WeakPolarHBondContact CG-OG 3.48Å; Q70-E76 VanDerWaalsContact NE2-CB 3.32Å; Q70-E76 PolarHBondContact NE2-OE2 3.41Å; Q70-M77 HydrophobicContact CG-CE 4.31Å; Q70-P245 CarbonylContact O-C 3.57Å; Q70-P245 VanDerWaalsContact O-CA 3.28Å; Q70-P245 WeakPolarHBondContact O-CA 3.14Å; Q70-A246 PolarHBondContact O-N 3.38Å
71	R	93.9	Very high	87.5	Confident	5 Å²	5	60.8 Å²	60.8	2%	0.019	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-93.3	164.4	-179.8	-57.8	-59.6	-70.2	-174.7	-10.3	111.8	Q59 Q62 Y69 L73 S74 A246	Q59-R71 PolarHBondContact O-NH2 2.99Å; Q62-R71 WeakPolarHBondContact O-CB 3.4Å; Q62-R71 WeakPolarHBondContact O-CG 3.42Å; Q62-R71 PolarHBondContact O-NE 3.31Å; Q62-R71 VanDerWaalsContact O-NE 3.17Å; Y69-R71 PolarHBondContact O-N 2.89Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 3.12Å; R71-S74 VanDerWaalsContact O-CB 3.27Å; R71-S74 WeakPolarHBondContact O-CB 3.38Å; R71-S74 PolarHBondContact O-N 3Å; R71-S74 VanDerWaalsContact O-N 3.1Å; R71-S74 PolarHBondContact O-OG 2.74Å; R71-A246 VanDerWaalsContact CZ-O 3.3Å; R71-A246 PolarHBondContact NH1-O 3.01Å
72	L	94.8	Very high	87.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-44.9	-179.2	-173.7	65.9	0	0	0	112.4	M60 F61 S74 M77 P245 L247 L267 M290	M60-L72 HydrophobicContact CB-CD2 4.29Å; M60-L72 WeakPolarHBondContact O-CB 3.45Å; M60-L72 WeakPolarHBondContact O-CD2 3.49Å; F61-L72 HydrophobicContact CD1-CD2 4.1Å; F61-L72 HydrophobicContact CE1-CD2 4Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 3.15Å; L72-M77 VanDerWaalsContact O-CG 3.29Å; L72-M77 WeakPolarHBondContact O-CG 3.46Å; L72-P245 HydrophobicContact CB-CB 4.38Å; L72-P245 HydrophobicContact CD1-CB 4.47Å; L72-P245 HydrophobicContact CD1-CG 3.89Å; L72-L247 HydrophobicContact CB-CD2 4.48Å; L72-L267 HydrophobicContact CD1-CD1 4.16Å; L72-L267 HydrophobicContact CD1-CD2 3.65Å; L72-L267 HydrophobicContact CD1-CG 3.95Å; L72-M290 HydrophobicContact CD1-CE 3.86Å; L72-M290 HydrophobicContact CG-CE 3.76Å; L72-M290 WeakPolarHBondContact O-CE 3.21Å
73	L	95.1	Very high	87.9	Confident	18 Å²	18	63.9 Å²	63.9	9%	0.094	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.9	-178.1	-57.8	-179.4	0	0	0	113.8	F61 E63 R71 L287 M290	F61-L73 HydrophobicContact CB-CD1 4.46Å; F61-L73 HydrophobicContact CD1-CD1 4.42Å; F61-L73 HydrophobicContact CD1-CD2 4.47Å; E63-L73 HydrophobicContact CG-CD1 4.12Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 3.12Å; L73-L287 HydrophobicContact CB-CD1 4.49Å; L73-L287 HydrophobicContact CD2-CD1 4.29Å; L73-M290 HydrophobicContact CD2-CB 3.74Å; L73-M290 HydrophobicContact CD2-CE 4.25Å
74	S	94.4	Very high	88.7	Confident	30 Å²	30	58.9 Å²	58.9	21%	0.21	28%	0.283	C	S	.	.			trans	-65.6	151	179.3	63.8	0	0	0	0	112.5	Q70 R71 L72 E76 M77 V78	Q70-S74 WeakPolarHBondContact CG-OG 3.48Å; R71-S74 VanDerWaalsContact O-CB 3.27Å; R71-S74 WeakPolarHBondContact O-CB 3.38Å; R71-S74 PolarHBondContact O-N 3Å; R71-S74 VanDerWaalsContact O-N 3.1Å; R71-S74 PolarHBondContact O-OG 2.74Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 3.15Å; S74-E76 VanDerWaalsContact C-N 3.29Å; S74-E76 PolarHBondContact O-N 2.78Å; S74-M77 WeakPolarHBondContact O-CB 3.31Å; S74-M77 PolarHBondContact O-N 3.26Å; S74-M77 VanDerWaalsContact O-N 3.13Å; S74-M77 VanDerWaalsContact OG-CB 3.3Å; S74-M77 WeakPolarHBondContact OG-CB 3.35Å; S74-M77 PolarHBondContact OG-N 2.66Å; S74-V78 WeakPolarHBondContact O-CG2 3.28Å; S74-V78 PolarHBondContact O-N 3.06Å
75	E	95.1	Very high	89.9	Confident	125 Å²	125	50.7 Å²	50.7	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-58	-41.5	179.8	-66.2	-167.6	-177.6	0	0	113.1	M77 V78 K79 F283	E75-M77 VanDerWaalsContact C-N 3.3Å; E75-M77 PolarHBondContact O-N 3.46Å; E75-V78 PolarHBondContact O-N 3.24Å; E75-K79 WeakPolarHBondContact O-CB 3.21Å; E75-K79 VanDerWaalsContact O-CG 3.29Å; E75-K79 WeakPolarHBondContact O-CG 3.5Å; E75-K79 PolarHBondContact O-N 2.92Å; E75-K79 IonicContact OE2-NZ 3.32Å; E75-K79 PolarHBondContact OE2-NZ 3.48Å; E75-F283 HydrophobicContact CB-CE2 4.25Å; E75-F283 HydrophobicContact CB-CZ 4.38Å; E75-F283 HydrophobicContact CG-CE2 4.44Å; E75-F283 HydrophobicContact CG-CZ 4.11Å
76	E	93.8	Very high	91.3	Very high	124 Å²	124	52.4 Å²	52.4	58%	0.579	25%	0.252	S	S	*	.	H	α-helix	trans	-64.5	-36.9	179.5	-176.7	-175.7	-175.8	0	0	111.4	Q70 S74 K79 T80	Q70-E76 VanDerWaalsContact NE2-CB 3.32Å; Q70-E76 PolarHBondContact NE2-OE2 3.41Å; S74-E76 VanDerWaalsContact C-N 3.29Å; S74-E76 PolarHBondContact O-N 2.78Å; E76-K79 PolarHBondContact O-N 3.27Å; E76-T80 WeakPolarHBondContact O-CB 3.29Å; E76-T80 PolarHBondContact O-N 3.39Å; E76-T80 PolarHBondContact O-OG1 2.88Å
77	M	95.8	Very high	92.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-47.2	175.3	-172.1	55	48.7	0	0	110.5	Q70 L72 S74 E75 K79 T80 L81 I243 P245 L267	Q70-M77 HydrophobicContact CG-CE 4.31Å; L72-M77 VanDerWaalsContact O-CG 3.29Å; L72-M77 WeakPolarHBondContact O-CG 3.46Å; S74-M77 WeakPolarHBondContact O-CB 3.31Å; S74-M77 PolarHBondContact O-N 3.26Å; S74-M77 VanDerWaalsContact O-N 3.13Å; S74-M77 VanDerWaalsContact OG-CB 3.3Å; S74-M77 WeakPolarHBondContact OG-CB 3.35Å; S74-M77 PolarHBondContact OG-N 2.66Å; E75-M77 VanDerWaalsContact C-N 3.3Å; E75-M77 PolarHBondContact O-N 3.46Å; M77-K79 VanDerWaalsContact C-N 3.34Å; M77-K79 PolarHBondContact O-N 3.47Å; M77-T80 PolarHBondContact O-N 3.24Å; M77-L81 HydrophobicContact CG-CD1 4.41Å; M77-L81 WeakPolarHBondContact O-CG 3.5Å; M77-L81 PolarHBondContact O-N 2.94Å; M77-I243 HydrophobicContact SD-CB 4.38Å; M77-I243 HydrophobicContact SD-CG2 3.61Å; M77-P245 HydrophobicContact CE-CB 3.92Å; M77-P245 VanDerWaalsContact CE-CD 3.47Å; M77-P245 HydrophobicContact CE-CG 4.02Å; M77-P245 HydrophobicContact SD-CG 4.23Å; M77-L267 HydrophobicContact SD-CD2 4.35Å
78	V	97	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-46	176.7	176.2	0	0	0	0	111.1	S74 E75 T80 L81 M82 F283 I286 L287 M290	S74-V78 WeakPolarHBondContact O-CG2 3.28Å; S74-V78 PolarHBondContact O-N 3.06Å; E75-V78 PolarHBondContact O-N 3.24Å; V78-T80 PolarHBondContact O-N 3.07Å; V78-L81 PolarHBondContact O-N 3.09Å; V78-M82 HydrophobicContact CG1-SD 4.49Å; V78-M82 WeakPolarHBondContact O-CG 3.24Å; V78-M82 PolarHBondContact O-N 2.75Å; V78-F283 HydrophobicContact CB-CD2 4Å; V78-F283 HydrophobicContact CB-CE2 3.6Å; V78-F283 HydrophobicContact CB-CZ 4.15Å; V78-F283 HydrophobicContact CG1-CB 4.5Å; V78-F283 HydrophobicContact CG1-CD1 4.39Å; V78-F283 HydrophobicContact CG1-CD2 3.32Å; V78-F283 HydrophobicContact CG1-CE1 4.46Å; V78-F283 HydrophobicContact CG1-CE2 3.42Å; V78-F283 VanDerWaalsContact CG1-CE2 3.42Å; V78-F283 HydrophobicContact CG1-CG 3.84Å; V78-F283 HydrophobicContact CG1-CZ 4.01Å; V78-F283 HydrophobicContact CG2-CE2 4.33Å; V78-F283 HydrophobicContact CG2-CZ 4.4Å; V78-I286 HydrophobicContact CB-CG2 4.4Å; V78-I286 HydrophobicContact CG1-CB 3.95Å; V78-I286 HydrophobicContact CG1-CG2 3.75Å; V78-L287 HydrophobicContact CG2-CB 4.38Å; V78-L287 HydrophobicContact CG2-CD1 4.22Å; V78-M290 HydrophobicContact CG2-SD 4.18Å
79	K	97.2	Very high	95.4	Very high	108 Å²	108	38.9 Å²	38.9	47%	0.47	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-43.6	176.7	-72.6	167.3	-174.7	162	0	111.7	E75 E76 M77 L81 M82 E83 F283	E75-K79 WeakPolarHBondContact O-CB 3.21Å; E75-K79 VanDerWaalsContact O-CG 3.29Å; E75-K79 WeakPolarHBondContact O-CG 3.5Å; E75-K79 PolarHBondContact O-N 2.92Å; E75-K79 IonicContact OE2-NZ 3.32Å; E75-K79 PolarHBondContact OE2-NZ 3.48Å; E76-K79 PolarHBondContact O-N 3.27Å; M77-K79 VanDerWaalsContact C-N 3.34Å; M77-K79 PolarHBondContact O-N 3.47Å; K79-L81 PolarHBondContact O-N 2.72Å; K79-M82 WeakPolarHBondContact O-CB 3.33Å; K79-M82 PolarHBondContact O-N 3.06Å; K79-E83 PolarHBondContact O-N 3.34Å; K79-E83 VanDerWaalsContact O-N 3.1Å; K79-F283 HydrophobicContact CG-CD2 4.43Å
80	T	98	Very high	95.7	Very high	24 Å²	24	39.6 Å²	39.6	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-43.6	177	-58	0	0	0	0	111.7	E76 M77 V78 M82 E83 V84 F241 I243	E76-T80 WeakPolarHBondContact O-CB 3.29Å; E76-T80 PolarHBondContact O-N 3.39Å; E76-T80 PolarHBondContact O-OG1 2.88Å; M77-T80 PolarHBondContact O-N 3.24Å; V78-T80 PolarHBondContact O-N 3.07Å; T80-M82 VanDerWaalsContact C-N 3.32Å; T80-M82 PolarHBondContact O-N 3.37Å; T80-E83 PolarHBondContact O-N 2.89Å; T80-V84 WeakPolarHBondContact O-CG2 3.25Å; T80-V84 PolarHBondContact O-N 2.93Å; T80-F241 HydrophobicContact CG2-CB 4.35Å; T80-F241 HydrophobicContact CG2-CD1 4.4Å; T80-I243 HydrophobicContact CG2-CG1 3.99Å
81	L	98.1	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-35.6	176.7	-63.4	172.6	0	0	0	112.3	M77 V78 K79 A85 I243 L267 V270 V271 I286 M290	M77-L81 HydrophobicContact CG-CD1 4.41Å; M77-L81 WeakPolarHBondContact O-CG 3.5Å; M77-L81 PolarHBondContact O-N 2.94Å; V78-L81 PolarHBondContact O-N 3.09Å; K79-L81 PolarHBondContact O-N 2.72Å; L81-A85 VanDerWaalsContact O-CB 3.25Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 3.38Å; L81-I243 HydrophobicContact CD2-CD1 3.73Å; L81-I243 HydrophobicContact CD2-CG1 4.26Å; L81-I243 HydrophobicContact CD2-CG2 4.09Å; L81-L267 HydrophobicContact CD1-CD2 3.76Å; L81-L267 HydrophobicContact CD2-CB 4.48Å; L81-L267 HydrophobicContact CD2-CD2 3.87Å; L81-L267 HydrophobicContact CG-CD2 4.35Å; L81-V270 HydrophobicContact CD1-CG1 4.39Å; L81-V271 HydrophobicContact CB-CG2 4.12Å; L81-V271 HydrophobicContact CD2-CG2 3.53Å; L81-V271 HydrophobicContact CG-CG2 4.39Å; L81-I286 HydrophobicContact CB-CG2 4.07Å; L81-I286 HydrophobicContact CD1-CG2 4.12Å; L81-M290 HydrophobicContact CD1-CE 3.83Å; L81-M290 HydrophobicContact CD1-SD 3.59Å; L81-M290 VanDerWaalsContact CD1-SD 3.59Å
82	M	97.4	Very high	95.9	Very high	46 Å²	46	39.1 Å²	39.1	23%	0.227	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-46.9	173.8	-68.9	174	59.5	0	0	111.5	V78 K79 T80 A85 E86 V281 F283 I286	V78-M82 HydrophobicContact CG1-SD 4.49Å; V78-M82 WeakPolarHBondContact O-CG 3.24Å; V78-M82 PolarHBondContact O-N 2.75Å; K79-M82 WeakPolarHBondContact O-CB 3.33Å; K79-M82 PolarHBondContact O-N 3.06Å; T80-M82 VanDerWaalsContact C-N 3.32Å; T80-M82 PolarHBondContact O-N 3.37Å; M82-A85 PolarHBondContact O-N 3.03Å; M82-E86 PolarHBondContact O-N 2.76Å; M82-V281 HydrophobicContact CB-CG1 3.98Å; M82-V281 HydrophobicContact CG-CG1 3.93Å; M82-F283 WeakPolarHBondContact SD-CA 3.48Å; M82-F283 HydrophobicContact SD-CB 3.81Å; M82-F283 HydrophobicContact SD-CD2 4.28Å; M82-F283 PolarHBondContact SD-N 3.11Å; M82-F283 VanDerWaalsContact SD-N 3.42Å; M82-I286 HydrophobicContact CG-CB 4.44Å; M82-I286 HydrophobicContact CG-CG1 3.7Å
83	E	97.8	Very high	95.8	Very high	65 Å²	65	46.1 Å²	46.1	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-62.5	-46.3	179.3	-69.9	-61.1	154.1	0	0	111.6	K79 T80 A85 E86 R87 Q238 F241	K79-E83 PolarHBondContact O-N 3.34Å; K79-E83 VanDerWaalsContact O-N 3.1Å; T80-E83 PolarHBondContact O-N 2.89Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 3.15Å; E83-E86 PolarHBondContact O-N 2.95Å; E83-R87 WeakPolarHBondContact O-CG 3.44Å; E83-R87 PolarHBondContact O-N 2.75Å; E83-Q238 PolarHBondContact OE1-NE2 2.65Å; E83-Q238 PolarHBondContact OE2-NE2 3.16Å; E83-F241 HydrophobicContact CB-CD1 4.25Å; E83-F241 HydrophobicContact CB-CE1 3.58Å; E83-F241 HydrophobicContact CB-CZ 4.22Å; E83-F241 HydrophobicContact CG-CE1 4.37Å
84	V	98.3	Very high	95.8	Very high	4 Å²	4	48 Å²	48	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-39.8	176.6	178.1	0	0	0	0	110.8	T80 E86 R87 V88 L172 V202 F241 I243 V271	T80-V84 WeakPolarHBondContact O-CG2 3.25Å; T80-V84 PolarHBondContact O-N 2.93Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.97Å; V84-R87 WeakPolarHBondContact O-CB 3.35Å; V84-R87 PolarHBondContact O-N 3.27Å; V84-R87 VanDerWaalsContact O-N 3.13Å; V84-V88 WeakPolarHBondContact O-CG2 3.2Å; V84-V88 PolarHBondContact O-N 3.41Å; V84-L172 HydrophobicContact CG1-CD2 4.44Å; V84-V202 HydrophobicContact CG1-CG1 4.39Å; V84-V202 HydrophobicContact CG1-CG2 4.08Å; V84-V202 HydrophobicContact CG2-CG1 4.18Å; V84-V202 HydrophobicContact CG2-CG2 4.12Å; V84-F241 HydrophobicContact CG2-CB 3.75Å; V84-F241 HydrophobicContact CG2-CD1 4.01Å; V84-F241 HydrophobicContact CG2-CD2 4.08Å; V84-F241 HydrophobicContact CG2-CG 3.66Å; V84-I243 HydrophobicContact CG2-CD1 4.26Å; V84-V271 HydrophobicContact CB-CG1 4.43Å; V84-V271 HydrophobicContact CB-CG2 4.48Å; V84-V271 HydrophobicContact CG1-CG1 3.79Å; V84-V271 HydrophobicContact CG1-CG2 4.36Å
85	A	97	Very high	95.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-36.7	176.1	0	0	0	0	0	112.4	L81 M82 E83 V88 R89 V271 A274 S275 V281	L81-A85 VanDerWaalsContact O-CB 3.25Å; L81-A85 WeakPolarHBondContact O-CB 3.39Å; L81-A85 PolarHBondContact O-N 3.38Å; M82-A85 PolarHBondContact O-N 3.03Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 3.15Å; A85-V88 PolarHBondContact O-N 3.25Å; A85-R89 WeakPolarHBondContact O-CG 3.25Å; A85-R89 PolarHBondContact O-N 3.19Å; A85-V271 HydrophobicContact CB-CG1 4.29Å; A85-A274 HydrophobicContact CB-CB 4.22Å; A85-S275 VanDerWaalsContact CA-OG 3.22Å; A85-S275 WeakPolarHBondContact CA-OG 3.39Å; A85-S275 WeakPolarHBondContact CB-OG 3.42Å; A85-S275 PolarHBondContact O-OG 3.17Å; A85-V281 HydrophobicContact CB-CG1 4.15Å; A85-V281 HydrophobicContact CB-CG2 4.15Å
86	E	96.1	Very high	95.6	Very high	68 Å²	68	49.5 Å²	49.5	32%	0.318	23%	0.232	S	C	.	.	H	α-helix	trans	-69.4	-35.7	173.6	-169	57.6	-150.5	0	0	111.7	M82 E83 V84 V88 R89 L90	M82-E86 PolarHBondContact O-N 2.76Å; E83-E86 PolarHBondContact O-N 2.95Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.97Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 3.43Å; E86-R89 WeakPolarHBondContact O-CB 3.46Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 VanDerWaalsContact O-N 3.11Å; E86-R89 VanDerWaalsContact OE2-CD 3.22Å; E86-R89 WeakPolarHBondContact OE2-CD 3.39Å; E86-R89 IonicContact OE2-NE 2.69Å; E86-R89 PolarHBondContact OE2-NE 3Å; E86-L90 WeakPolarHBondContact O-CG 3.17Å; E86-L90 PolarHBondContact O-N 3.17Å
87	R	96.6	Very high	95.8	Very high	68 Å²	68	45.8 Å²	45.8	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-41.2	171.7	-60.1	-49.3	173.3	129.9	-1.6	112.2	E83 V84 R89 L90 I91 L172 Q238 F241	E83-R87 WeakPolarHBondContact O-CG 3.44Å; E83-R87 PolarHBondContact O-N 2.75Å; V84-R87 WeakPolarHBondContact O-CB 3.35Å; V84-R87 PolarHBondContact O-N 3.27Å; V84-R87 VanDerWaalsContact O-N 3.13Å; R87-R89 VanDerWaalsContact C-N 3.33Å; R87-R89 PolarHBondContact O-N 2.86Å; R87-L90 WeakPolarHBondContact O-CB 3.46Å; R87-L90 PolarHBondContact O-N 3.43Å; R87-I91 WeakPolarHBondContact O-CG1 3.38Å; R87-I91 PolarHBondContact O-N 3.39Å; R87-L172 HydrophobicContact CB-CD1 3.88Å; R87-L172 HydrophobicContact CB-CD2 4.21Å; R87-Q238 PolarHBondContact NH2-O 2.97Å; R87-Q238 VanDerWaalsContact NH2-O 3.14Å; R87-F241 HydrophobicContact CG-CE2 3.94Å; R87-F241 HydrophobicContact CG-CZ 4.14Å
88	V	96.3	Very high	95.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-40	172.6	176.2	0	0	0	0	110.9	V84 A85 E86 L90 I91 L92 V100 L172 V271 F272 S275 F276	V84-V88 WeakPolarHBondContact O-CG2 3.2Å; V84-V88 PolarHBondContact O-N 3.41Å; A85-V88 PolarHBondContact O-N 3.25Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 3.43Å; V88-L90 VanDerWaalsContact C-N 3.26Å; V88-L90 PolarHBondContact O-N 3.43Å; V88-I91 WeakPolarHBondContact O-CB 3.34Å; V88-I91 PolarHBondContact O-N 3.03Å; V88-L92 HydrophobicContact CG1-CD1 4.26Å; V88-L92 HydrophobicContact CG1-CG 4.49Å; V88-L92 WeakPolarHBondContact O-CG 3.42Å; V88-L92 PolarHBondContact O-N 2.91Å; V88-V100 HydrophobicContact CG1-CG2 4.49Å; V88-L172 HydrophobicContact CB-CD2 4.4Å; V88-L172 HydrophobicContact CG2-CD2 3.37Å; V88-V271 HydrophobicContact CG2-CG1 4.06Å; V88-F272 HydrophobicContact CG1-CD1 4.04Å; V88-F272 HydrophobicContact CG1-CE1 4.27Å; V88-F272 HydrophobicContact CG2-CE1 4.45Å; V88-S275 WeakPolarHBondContact CB-OG 3.48Å; V88-S275 VanDerWaalsContact CG1-CB 3.48Å; V88-F276 HydrophobicContact CG1-CE1 4.34Å
89	R	93.8	Very high	95.9	Very high	53 Å²	53	46.6 Å²	46.6	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-34.6	175.3	-73.1	171.3	67.8	97.2	4.7	112.8	A85 E86 R87 I91 L92 K93 S275 S277 T279	A85-R89 WeakPolarHBondContact O-CG 3.25Å; A85-R89 PolarHBondContact O-N 3.19Å; E86-R89 WeakPolarHBondContact O-CB 3.46Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 VanDerWaalsContact O-N 3.11Å; E86-R89 VanDerWaalsContact OE2-CD 3.22Å; E86-R89 WeakPolarHBondContact OE2-CD 3.39Å; E86-R89 IonicContact OE2-NE 2.69Å; E86-R89 PolarHBondContact OE2-NE 3Å; R87-R89 VanDerWaalsContact C-N 3.33Å; R87-R89 PolarHBondContact O-N 2.86Å; R89-I91 VanDerWaalsContact C-N 3.35Å; R89-L92 PolarHBondContact O-N 3.05Å; R89-K93 WeakPolarHBondContact O-CG 3.44Å; R89-K93 PolarHBondContact O-N 3.04Å; R89-S275 VanDerWaalsContact CG-O 3.31Å; R89-S275 WeakPolarHBondContact CG-O 3.4Å; R89-S277 PolarHBondContact NH1-O 3.33Å; R89-T279 PolarHBondContact NH1-O 3.03Å
90	L	93.8	Very high	96	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.277	20%	0.199	S	C	.	.	H	α-helix	trans	-67.6	-33.8	173.9	-65.9	175.2	0	0	0	112.9	E86 R87 V88 K93 R170	E86-L90 WeakPolarHBondContact O-CG 3.17Å; E86-L90 PolarHBondContact O-N 3.17Å; R87-L90 WeakPolarHBondContact O-CB 3.46Å; R87-L90 PolarHBondContact O-N 3.43Å; V88-L90 VanDerWaalsContact C-N 3.26Å; V88-L90 PolarHBondContact O-N 3.43Å; L90-K93 HydrophobicContact CD2-CD 4.43Å; L90-R170 PolarHBondContact O-NH1 2.85Å
91	I	95.8	Very high	96	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-43.9	174	-60.5	-66.1	0	0	0	110.2	R87 V88 R89 K93 D94 V100 V131 R170 L172	R87-I91 WeakPolarHBondContact O-CG1 3.38Å; R87-I91 PolarHBondContact O-N 3.39Å; V88-I91 WeakPolarHBondContact O-CB 3.34Å; V88-I91 PolarHBondContact O-N 3.03Å; R89-I91 VanDerWaalsContact C-N 3.35Å; I91-K93 PolarHBondContact O-N 3.37Å; I91-D94 CarbonylContact O-C 3.58Å; I91-D94 PolarHBondContact O-N 3.4Å; I91-D94 VanDerWaalsContact O-N 3.12Å; I91-V100 HydrophobicContact CB-CG2 4.15Å; I91-V100 HydrophobicContact CG1-CG2 4.08Å; I91-V100 HydrophobicContact CG2-CG2 3.81Å; I91-V131 HydrophobicContact CG2-CB 4.12Å; I91-V131 HydrophobicContact CG2-CG2 4.27Å; I91-R170 HydrophobicContact CD1-CB 4.28Å; I91-R170 HydrophobicContact CD1-CG 3.68Å; I91-L172 HydrophobicContact CD1-CB 4.3Å; I91-L172 HydrophobicContact CG1-CB 4.14Å
92	L	92.4	Very high	96.1	Very high	32 Å²	32	40.3 Å²	40.3	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-23.1	-178.7	-65.1	167.7	0	0	0	114	V88 R89 D94 L123 V131 F276	V88-L92 HydrophobicContact CG1-CD1 4.26Å; V88-L92 HydrophobicContact CG1-CG 4.49Å; V88-L92 WeakPolarHBondContact O-CG 3.42Å; V88-L92 PolarHBondContact O-N 2.91Å; R89-L92 PolarHBondContact O-N 3.05Å; L92-D94 VanDerWaalsContact C-N 3.3Å; L92-L123 HydrophobicContact CD2-CD1 4.24Å; L92-L123 HydrophobicContact CD2-CD2 3.79Å; L92-V131 HydrophobicContact CD2-CG2 3.63Å; L92-F276 HydrophobicContact CD1-CD1 3.51Å; L92-F276 HydrophobicContact CD1-CE1 3.73Å; L92-F276 HydrophobicContact CD2-CD1 4.37Å; L92-F276 HydrophobicContact CD2-CE1 3.98Å; L92-F276 HydrophobicContact CG-CE1 4.4Å
93	K	92.8	Very high	96.1	Very high	147 Å²	147	38.1 Å²	38.1	64%	0.639	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.8	176.6	-72.6	173.1	-175.7	172.5	0	113.1	R89 L90 I91	R89-K93 WeakPolarHBondContact O-CG 3.44Å; R89-K93 PolarHBondContact O-N 3.04Å; L90-K93 HydrophobicContact CD2-CD 4.43Å; I91-K93 PolarHBondContact O-N 3.37Å
94	D	94	Very high	96.2	Very high	59 Å²	59	35 Å²	35	32%	0.316	17%	0.167	S	C	.	.			trans	-140.2	69.8	-177.5	-175.2	8	0	0	0	111	I91 L92 Q96 S98	I91-D94 CarbonylContact O-C 3.58Å; I91-D94 PolarHBondContact O-N 3.4Å; I91-D94 VanDerWaalsContact O-N 3.12Å; L92-D94 VanDerWaalsContact C-N 3.3Å; D94-Q96 PolarHBondContact O-N 2.63Å; D94-S98 WeakPolarHBondContact O-CB 3.48Å; D94-S98 PolarHBondContact O-N 3.13Å; D94-S98 PolarHBondContact O-OG 3.42Å
95	P	93	Very high	96	Very high	42 Å²	42	35.4 Å²	35.4	27%	0.273	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.3	-171.5	28.1	-36.2	0	0	0	113.9	A129 V131	P95-A129 HydrophobicContact CB-CB 4Å; P95-A129 HydrophobicContact CG-CB 4.31Å; P95-V131 HydrophobicContact CB-CG1 3.46Å; P95-V131 VanDerWaalsContact CB-CG1 3.46Å
96	Q	93.8	Very high	95.9	Very high	143 Å²	143	36.4 Å²	36.4	67%	0.668	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-46.5	-179.6	-66.2	-61.9	-17.1	0	0	111.4	D94 K168	D94-Q96 PolarHBondContact O-N 2.63Å; Q96-K168 PolarHBondContact O-NZ 3.34Å
97	D	96	Very high	95.8	Very high	47 Å²	47	33.6 Å²	33.6	25%	0.251	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.9	-178.5	-75.5	-26.6	0	0	0	113.2	K168 K169 R170	D97-K168 CarbonylContact O-C 3.3Å; D97-K168 WeakPolarHBondContact O-CA 3.46Å; D97-K169 HydrophobicContact CB-CB 4.2Å; D97-K169 HydrophobicContact CB-CD 4.04Å; D97-K169 HydrophobicContact CB-CG 4.14Å; D97-K169 PolarHBondContact O-N 2.95Å; D97-K169 IonicContact OD1-NZ 3.75Å; D97-K169 WeakPolarHBondContact OD2-CD 3.37Å; D97-K169 WeakPolarHBondContact OD2-CE 3.15Å; D97-K169 IonicContact OD2-NZ 3.59Å; D97-K169 PolarHBondContact OD2-NZ 3.01Å; D97-R170 PolarHBondContact O-N 3.24Å
98	S	97.8	Very high	95.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.5	-176.8	-51.1	0	0	0	0	114.1	D94 R170	D94-S98 WeakPolarHBondContact O-CB 3.48Å; D94-S98 PolarHBondContact O-N 3.13Å; D94-S98 PolarHBondContact O-OG 3.42Å; S98-R170 CarbonylContact C-O 3.58Å; S98-R170 WeakPolarHBondContact CA-O 3.44Å
99	L	98.4	Very high	95.9	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.084	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144.4	178.3	-171.6	70.5	0	0	0	111.9	V101 V131 V164 K168 R170 V171 L172	L99-V101 HydrophobicContact CD2-CG2 3.45Å; L99-V101 VanDerWaalsContact CD2-CG2 3.45Å; L99-V101 HydrophobicContact CG-CG2 3.87Å; L99-V131 WeakPolarHBondContact CD1-O 3.46Å; L99-V164 WeakPolarHBondContact CD2-O 3.42Å; L99-K168 HydrophobicContact CB-CD 4.22Å; L99-K168 HydrophobicContact CB-CG 3.97Å; L99-K168 HydrophobicContact CD2-CG 4.39Å; L99-R170 PolarHBondContact N-O 3.15Å; L99-V171 CarbonylContact O-C 3.57Å; L99-V171 VanDerWaalsContact O-CA 3.31Å; L99-V171 WeakPolarHBondContact O-CA 3.45Å; L99-L172 PolarHBondContact O-N 3.36Å
100	V	98.6	Very high	96.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.2	162.3	-173.2	0	0	0	0	108.5	V88 I91 V131 C132 S133 L172 V174 F272	V88-V100 HydrophobicContact CG1-CG2 4.49Å; I91-V100 HydrophobicContact CB-CG2 4.15Å; I91-V100 HydrophobicContact CG1-CG2 4.08Å; I91-V100 HydrophobicContact CG2-CG2 3.81Å; V100-V131 PolarHBondContact N-O 3.3Å; V100-C132 CarbonylContact O-C 3.58Å; V100-C132 WeakPolarHBondContact O-CA 3.48Å; V100-S133 PolarHBondContact O-N 2.93Å; V100-L172 CarbonylContact C-O 3.51Å; V100-L172 WeakPolarHBondContact CA-O 3.2Å; V100-L172 HydrophobicContact CG1-CB 4.5Å; V100-L172 HydrophobicContact CG1-CD2 4.39Å; V100-L172 HydrophobicContact CG2-CB 4.4Å; V100-V174 HydrophobicContact CG1-CG2 4.4Å; V100-F272 HydrophobicContact CB-CE1 4.44Å; V100-F272 HydrophobicContact CG1-CE1 3.97Å; V100-F272 HydrophobicContact CG1-CZ 3.67Å; V100-F272 HydrophobicContact CG2-CE1 4.45Å
101	V	98.8	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.3	177.5	-178.5	0	0	0	0	109.1	L99 S133 V135 L161 V164 V171 L172 F173 V174	L99-V101 HydrophobicContact CD2-CG2 3.45Å; L99-V101 VanDerWaalsContact CD2-CG2 3.45Å; L99-V101 HydrophobicContact CG-CG2 3.87Å; V101-S133 WeakPolarHBondContact CA-O 3.19Å; V101-V135 HydrophobicContact CG1-CG2 3.92Å; V101-L161 HydrophobicContact CB-CD1 4.1Å; V101-L161 HydrophobicContact CG1-CD1 3.84Å; V101-L161 HydrophobicContact CG2-CD1 4.18Å; V101-V164 HydrophobicContact CG1-CG1 3.89Å; V101-V164 HydrophobicContact CG2-CG1 3.93Å; V101-V171 HydrophobicContact CG2-CG1 3.89Å; V101-L172 PolarHBondContact N-O 3.41Å; V101-F173 HydrophobicContact CB-CD2 4.16Å; V101-F173 HydrophobicContact CG1-CD2 4.11Å; V101-F173 HydrophobicContact CG1-CE2 4.41Å; V101-V174 PolarHBondContact O-N 3.1Å
102	L	98.9	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.3	172.7	-64.7	131.6	0	0	0	109	A112 M115 A116 S133 Y134 V135 V174 L268 F272	L102-A112 HydrophobicContact CB-CB 3.68Å; L102-M115 HydrophobicContact CD1-CB 4.34Å; L102-M115 HydrophobicContact CD2-CB 4.46Å; L102-A116 HydrophobicContact CD1-CB 3.79Å; L102-S133 PolarHBondContact N-O 3.38Å; L102-Y134 CarbonylContact O-C 3.59Å; L102-Y134 WeakPolarHBondContact O-CA 3.24Å; L102-V135 PolarHBondContact O-N 3.35Å; L102-V174 HydrophobicContact CD2-CB 4.28Å; L102-V174 HydrophobicContact CD2-CG1 4.39Å; L102-L268 HydrophobicContact CD2-CD1 3.8Å; L102-L268 HydrophobicContact CD2-CD2 4.1Å; L102-F272 HydrophobicContact CD1-CZ 4.07Å; L102-F272 HydrophobicContact CD2-CE2 4.02Å; L102-F272 HydrophobicContact CD2-CZ 4.15Å; L102-F272 HydrophobicContact CG-CZ 4.36Å
103	S	98.8	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.6	-177.9	-174.3	0	0	0	0	113.3	V135 V174 V176 Q188	S103-V135 VanDerWaalsContact CA-O 3.22Å; S103-V135 WeakPolarHBondContact CA-O 3.38Å; S103-V135 PolarHBondContact OG-O 3.41Å; S103-V174 PolarHBondContact N-O 3.17Å; S103-V176 PolarHBondContact O-N 2.8Å; S103-Q188 VanDerWaalsContact CB-OE1 3.29Å; S103-Q188 PolarHBondContact OG-NE2 3.19Å; S103-Q188 PolarHBondContact OG-OE1 2.92Å
104	G	98.3	Very high	96.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-178.9	174	0	0	0	0	0	113.4	G109 V135 I136 A137	G104-G109 VanDerWaalsContact C-CA 3.47Å; G104-G109 WeakPolarHBondContact O-CA 3.09Å; G104-V135 PolarHBondContact N-O 3.44Å; G104-I136 WeakPolarHBondContact O-CA 3.38Å; G104-A137 PolarHBondContact O-N 2.92Å
105	C	96	Very high	97	Very high	11 Å²	11	14.7 Å²	14.7	7%	0.074	8%	0.083	C	C	.	.	S	Bend	trans	-117.6	148.9	177.5	-53.3	0	0	0	0	109.7	T107 S108 G109 A137 E151	C105-T107 PolarHBondContact O-N 2.95Å; C105-S108 WeakPolarHBondContact O-CB 3.28Å; C105-S108 PolarHBondContact O-N 2.86Å; C105-G109 PolarHBondContact O-N 2.73Å; C105-A137 HydrophobicContact CB-CB 4.2Å; C105-E151 HydrophobicContact CB-CB 4.07Å; C105-E151 HydrophobicContact CB-CG 3.78Å; C105-E151 WeakPolarHBondContact CB-OE2 3.29Å
106	G	93.4	Very high	97.2	Very high	22 Å²	22	12.8 Å²	12.8	23%	0.227	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-126.5	-178.5	0	0	0	0	0	112.3	S108 G109 R110	G106-S108 VanDerWaalsContact C-N 3.26Å; G106-S108 PolarHBondContact O-N 3.15Å; G106-G109 PolarHBondContact O-N 2.93Å; G106-G109 VanDerWaalsContact O-N 3.09Å; G106-R110 VanDerWaalsContact C-NH1 3.34Å; G106-R110 WeakPolarHBondContact O-CG 3.33Å; G106-R110 PolarHBondContact O-N 3.39Å
107	T	94.6	Very high	97.2	Very high	8 Å²	8	6.6 Å²	6.6	5%	0.049	4%	0.043	C	C	.	.	H	α-helix	trans	-55.7	-40.2	178.7	-38	0	0	0	0	112.7	C105 G109 R110 L111 R257 I338 E342	C105-T107 PolarHBondContact O-N 2.95Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3.33Å; T107-R110 PolarHBondContact O-N 3.37Å; T107-L111 HydrophobicContact CG2-CD1 4.16Å; T107-L111 HydrophobicContact CG2-CG 4.31Å; T107-L111 WeakPolarHBondContact O-CB 3.5Å; T107-L111 WeakPolarHBondContact O-CG 3.39Å; T107-L111 PolarHBondContact O-N 2.77Å; T107-R257 HydrophobicContact CG2-CB 4Å; T107-R257 VanDerWaalsContact OG1-CB 3.28Å; T107-R257 WeakPolarHBondContact OG1-CB 3.4Å; T107-I338 HydrophobicContact CG2-CG2 4.36Å; T107-E342 WeakPolarHBondContact CA-OE1 3.43Å; T107-E342 WeakPolarHBondContact CB-OE1 3.41Å; T107-E342 PolarHBondContact N-OE1 3.12Å; T107-E342 PolarHBondContact OG1-OE1 3.35Å; T107-E342 PolarHBondContact OG1-OE2 3.04Å
108	S	97.4	Very high	97.1	Very high	8 Å²	8	5.2 Å²	5.2	6%	0.056	4%	0.04	C	C	.	.	H	α-helix	trans	-63.7	-38.3	-179.3	-63.4	0	0	0	0	111.6	C105 G106 A112 V176	C105-S108 WeakPolarHBondContact O-CB 3.28Å; C105-S108 PolarHBondContact O-N 2.86Å; G106-S108 VanDerWaalsContact C-N 3.26Å; G106-S108 PolarHBondContact O-N 3.15Å; S108-A112 PolarHBondContact O-N 2.79Å; S108-V176 WeakPolarHBondContact OG-CG1 3.26Å
109	G	97.8	Very high	96.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-71.9	-38.6	174.6	0	0	0	0	0	112.9	G104 C105 G106 T107 L111 A112 F113	G104-G109 VanDerWaalsContact C-CA 3.47Å; G104-G109 WeakPolarHBondContact O-CA 3.09Å; C105-G109 PolarHBondContact O-N 2.73Å; G106-G109 PolarHBondContact O-N 2.93Å; G106-G109 VanDerWaalsContact O-N 3.09Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3.33Å; G109-L111 VanDerWaalsContact C-N 3.33Å; G109-L111 PolarHBondContact O-N 2.98Å; G109-A112 WeakPolarHBondContact O-CB 3.41Å; G109-A112 PolarHBondContact O-N 2.84Å; G109-A112 VanDerWaalsContact O-N 3.14Å; G109-F113 PolarHBondContact O-N 3.45Å
110	R	97.6	Very high	96.6	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.008	4%	0.043	C	C	.	.	H	α-helix	trans	-63.8	-39	174.3	-70.5	174.2	-169.1	116.6	-1.3	112	G106 T107 F113 F114 I136 A142 L143 S145 I338 S341 E342	G106-R110 VanDerWaalsContact C-NH1 3.34Å; G106-R110 WeakPolarHBondContact O-CG 3.33Å; G106-R110 PolarHBondContact O-N 3.39Å; T107-R110 PolarHBondContact O-N 3.37Å; R110-F113 WeakPolarHBondContact O-CB 3.36Å; R110-F113 PolarHBondContact O-N 3.25Å; R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 2.93Å; R110-I136 HydrophobicContact CG-CD1 3.99Å; R110-A142 PolarHBondContact NE-O 3.38Å; R110-A142 PolarHBondContact NH2-O 3.29Å; R110-L143 HydrophobicContact CG-CD2 4.42Å; R110-L143 PolarHBondContact NE-O 2.74Å; R110-S145 PolarHBondContact NH2-O 2.84Å; R110-I338 HydrophobicContact CB-CD1 4.1Å; R110-I338 HydrophobicContact CB-CG1 3.98Å; R110-I338 HydrophobicContact CB-CG2 4.19Å; R110-S341 VanDerWaalsContact CD-OG 3.23Å; R110-S341 WeakPolarHBondContact CD-OG 3.5Å; R110-S341 VanDerWaalsContact CZ-OG 3.28Å; R110-S341 PolarHBondContact NE-OG 3.01Å; R110-E342 IonicContact CZ-OE1 2.73Å; R110-E342 IonicContact NH1-OE1 2.9Å; R110-E342 PolarHBondContact NH1-OE1 2.89Å; R110-E342 IonicContact NH1-OE2 3.61Å; R110-E342 PolarHBondContact NH1-OE2 3.3Å
111	L	97.9	Very high	96.2	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-68.6	-37.9	171.2	-71.3	174.9	0	0	0	111.2	T107 G109 F113 F114 M115 G261 T264	T107-L111 HydrophobicContact CG2-CD1 4.16Å; T107-L111 HydrophobicContact CG2-CG 4.31Å; T107-L111 WeakPolarHBondContact O-CB 3.5Å; T107-L111 WeakPolarHBondContact O-CG 3.39Å; T107-L111 PolarHBondContact O-N 2.77Å; G109-L111 VanDerWaalsContact C-N 3.33Å; G109-L111 PolarHBondContact O-N 2.98Å; L111-F113 VanDerWaalsContact C-N 3.29Å; L111-F113 PolarHBondContact O-N 3.37Å; L111-F114 WeakPolarHBondContact O-CB 3.32Å; L111-F114 PolarHBondContact O-N 2.83Å; L111-M115 VanDerWaalsContact O-CB 3.27Å; L111-M115 WeakPolarHBondContact O-CB 3.41Å; L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 2.82Å; L111-G261 VanDerWaalsContact CD1-O 3.26Å; L111-G261 WeakPolarHBondContact CD1-O 3.43Å; L111-T264 HydrophobicContact CD1-CG2 4.23Å
112	A	98.3	Very high	95.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-56.5	-44.6	172.8	0	0	0	0	0	111.7	L102 S108 G109 A116	L102-A112 HydrophobicContact CB-CB 3.68Å; S108-A112 PolarHBondContact O-N 2.79Å; G109-A112 WeakPolarHBondContact O-CB 3.41Å; G109-A112 PolarHBondContact O-N 2.84Å; G109-A112 VanDerWaalsContact O-N 3.14Å; A112-A116 VanDerWaalsContact O-CB 3.28Å; A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 2.83Å
113	F	98	Very high	95.2	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-60.3	-53.8	171.4	168.5	-113	0	0	0	112.3	G109 R110 L111 M115 A116 S117 Y134 L143 L334 L365 N367	G109-F113 PolarHBondContact O-N 3.45Å; R110-F113 WeakPolarHBondContact O-CB 3.36Å; R110-F113 PolarHBondContact O-N 3.25Å; L111-F113 VanDerWaalsContact C-N 3.29Å; L111-F113 PolarHBondContact O-N 3.37Å; F113-M115 PolarHBondContact O-N 2.97Å; F113-A116 PolarHBondContact O-N 2.84Å; F113-S117 WeakPolarHBondContact CD2-OG 2.93Å; F113-S117 WeakPolarHBondContact CE2-OG 3.18Å; F113-S117 WeakPolarHBondContact O-CB 3.42Å; F113-S117 PolarHBondContact O-N 2.8Å; F113-S117 PolarHBondContact O-OG 3.43Å; F113-Y134 HydrophobicContact CB-CD1 4.48Å; F113-Y134 HydrophobicContact CB-CD2 3.78Å; F113-Y134 HydrophobicContact CB-CE2 4.09Å; F113-Y134 HydrophobicContact CB-CG 3.99Å; F113-Y134 AromaticContact CD2-CD1 3.78Å; F113-Y134 HydrophobicContact CD2-CD1 3.78Å; F113-Y134 HydrophobicContact CD2-CD2 4.16Å; F113-Y134 AromaticContact CD2-CE1 3.45Å; F113-Y134 HydrophobicContact CD2-CE1 3.45Å; F113-Y134 VanDerWaalsContact CD2-CE1 3.45Å; F113-Y134 AromaticContact CD2-CE2 3.85Å; F113-Y134 HydrophobicContact CD2-CE2 3.85Å; F113-Y134 HydrophobicContact CD2-CG 4.12Å; F113-Y134 AromaticContact CD2-CZ 3.48Å; F113-Y134 VanDerWaalsContact CD2-CZ 3.48Å; F113-Y134 AromaticContact CE2-CE1 4Å; F113-Y134 HydrophobicContact CE2-CE1 4Å; F113-Y134 HydrophobicContact CG-CD2 4.43Å; F113-Y134 HydrophobicContact CG-CE2 4.32Å; F113-L143 HydrophobicContact CB-CD2 3.57Å; F113-L143 HydrophobicContact CD1-CD1 4.09Å; F113-L143 HydrophobicContact CD1-CD2 3.78Å; F113-L143 HydrophobicContact CD2-CD1 4.22Å; F113-L143 HydrophobicContact CE1-CD1 4.21Å; F113-L143 HydrophobicContact CE2-CD1 4.34Å; F113-L143 HydrophobicContact CG-CD1 4.08Å; F113-L143 HydrophobicContact CG-CD2 3.7Å; F113-L143 HydrophobicContact CZ-CD1 4.33Å; F113-L334 HydrophobicContact CD1-CD1 4.2Å; F113-L334 HydrophobicContact CD1-CD2 4.02Å; F113-L334 HydrophobicContact CE1-CD1 3.74Å; F113-L334 HydrophobicContact CE1-CD2 3.6Å; F113-L334 HydrophobicContact CE1-CG 4.33Å; F113-L334 HydrophobicContact CZ-CD2 4.5Å; F113-L365 HydrophobicContact CZ-CB 4.18Å; F113-L365 WeakPolarHBondContact CZ-O 3.32Å; F113-N367 HydrophobicContact CE2-CB 4Å; F113-N367 HydrophobicContact CZ-CB 4.2Å
114	F	97.1	Very high	94.8	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.018	9%	0.093	C	C	.	.	H	α-helix	trans	-51	-47.2	179.3	-177.1	-90.8	0	0	0	112	R110 L111 G118 L334 L335 I338 E476	R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 2.93Å; L111-F114 WeakPolarHBondContact O-CB 3.32Å; L111-F114 PolarHBondContact O-N 2.83Å; F114-G118 PolarHBondContact O-N 3.23Å; F114-L334 HydrophobicContact CB-CD2 4.38Å; F114-L334 HydrophobicContact CD2-CB 4.34Å; F114-L334 HydrophobicContact CD2-CD2 3.54Å; F114-L334 HydrophobicContact CD2-CG 3.79Å; F114-L334 HydrophobicContact CE2-CB 4.43Å; F114-L334 HydrophobicContact CE2-CD2 4.25Å; F114-L334 HydrophobicContact CE2-CG 4.37Å; F114-L334 HydrophobicContact CG-CD2 4.38Å; F114-L335 HydrophobicContact CD2-CD2 4.25Å; F114-L335 HydrophobicContact CD2-CG 4.46Å; F114-L335 HydrophobicContact CE2-CD1 4.4Å; F114-L335 HydrophobicContact CE2-CD2 3.87Å; F114-L335 HydrophobicContact CE2-CG 3.72Å; F114-L335 HydrophobicContact CZ-CD1 4.31Å; F114-L335 HydrophobicContact CZ-CD2 4.09Å; F114-L335 HydrophobicContact CZ-CG 4.06Å; F114-I338 HydrophobicContact CB-CD1 4.1Å; F114-I338 HydrophobicContact CD2-CD1 4.18Å; F114-I338 HydrophobicContact CG-CD1 4.45Å; F114-E476 WeakPolarHBondContact CE1-OE2 3.31Å; F114-E476 HydrophobicContact CZ-CB 4.22Å; F114-E476 VanDerWaalsContact CZ-CD 3.45Å; F114-E476 HydrophobicContact CZ-CG 3.91Å; F114-E476 WeakPolarHBondContact CZ-OE2 3.37Å
115	M	96.3	Very high	94.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-50.9	-179.2	-65.8	-55.3	-70.5	0	0	111.3	L102 L111 F113 S117 G118 F119 K265 L268 E269	L102-M115 HydrophobicContact CD1-CB 4.34Å; L102-M115 HydrophobicContact CD2-CB 4.46Å; L111-M115 VanDerWaalsContact O-CB 3.27Å; L111-M115 WeakPolarHBondContact O-CB 3.41Å; L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 2.82Å; F113-M115 PolarHBondContact O-N 2.97Å; M115-S117 PolarHBondContact O-N 2.91Å; M115-G118 PolarHBondContact O-N 3.32Å; M115-F119 HydrophobicContact CB-CD2 4.23Å; M115-F119 HydrophobicContact CB-CE2 3.84Å; M115-F119 HydrophobicContact CE-CE1 4.23Å; M115-F119 HydrophobicContact CE-CE2 3.37Å; M115-F119 HydrophobicContact CE-CZ 3.15Å; M115-F119 WeakPolarHBondContact O-CB 3.34Å; M115-F119 WeakPolarHBondContact O-CD2 3.4Å; M115-F119 WeakPolarHBondContact O-CG 3.42Å; M115-F119 PolarHBondContact O-N 2.87Å; M115-K265 HydrophobicContact SD-CG 4.46Å; M115-L268 HydrophobicContact CE-CB 3.47Å; M115-L268 VanDerWaalsContact CE-CB 3.47Å; M115-L268 HydrophobicContact CG-CB 4.49Å; M115-L268 HydrophobicContact CG-CD1 4.04Å; M115-E269 HydrophobicContact CE-CB 4.2Å; M115-E269 HydrophobicContact CE-CG 3.22Å; M115-E269 HydrophobicContact SD-CG 3.79Å
116	A	96.9	Very high	93.8	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	13%	0.131	C	C	.	.	H	α-helix	trans	-59	-47.8	-179.1	0	0	0	0	0	111.9	L102 A112 F113 F119 N120 C132 Y134	L102-A116 HydrophobicContact CD1-CB 3.79Å; A112-A116 VanDerWaalsContact O-CB 3.28Å; A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 2.83Å; F113-A116 PolarHBondContact O-N 2.84Å; A116-F119 PolarHBondContact O-N 3.49Å; A116-N120 WeakPolarHBondContact O-CB 3.14Å; A116-N120 PolarHBondContact O-N 3Å; A116-C132 HydrophobicContact CB-CB 4.06Å; A116-Y134 HydrophobicContact CB-CD1 4.4Å
117	S	94.6	Very high	93.6	Very high	14 Å²	14	33 Å²	33	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-44.6	179.3	-60.2	0	0	0	0	111.8	F113 M115 F119 N120 R121	F113-S117 WeakPolarHBondContact CD2-OG 2.93Å; F113-S117 WeakPolarHBondContact CE2-OG 3.18Å; F113-S117 WeakPolarHBondContact O-CB 3.42Å; F113-S117 PolarHBondContact O-N 2.8Å; F113-S117 PolarHBondContact O-OG 3.43Å; M115-S117 PolarHBondContact O-N 2.91Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.34Å; S117-N120 PolarHBondContact O-N 2.95Å; S117-R121 WeakPolarHBondContact O-CG 3.07Å; S117-R121 PolarHBondContact O-N 3.31Å; S117-R121 VanDerWaalsContact O-N 3.07Å
118	G	92.6	Very high	93.3	Very high	17 Å²	17	38 Å²	38	18%	0.175	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-41	176.1	0	0	0	0	0	113	F114 M115 E122	F114-G118 PolarHBondContact O-N 3.23Å; M115-G118 PolarHBondContact O-N 3.32Å; G118-E122 PolarHBondContact O-N 3.32Å; G118-E122 VanDerWaalsContact O-N 3.13Å
119	F	91.9	Very high	93	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	19%	0.193	C	C	.	.	H	α-helix	trans	-70	-43.6	178.2	-67.7	-41.3	0	0	0	113.7	M115 A116 S117 R121 E122 L123 F272 F276 R473	M115-F119 HydrophobicContact CB-CD2 4.23Å; M115-F119 HydrophobicContact CB-CE2 3.84Å; M115-F119 HydrophobicContact CE-CE1 4.23Å; M115-F119 HydrophobicContact CE-CE2 3.37Å; M115-F119 HydrophobicContact CE-CZ 3.15Å; M115-F119 WeakPolarHBondContact O-CB 3.34Å; M115-F119 WeakPolarHBondContact O-CD2 3.4Å; M115-F119 WeakPolarHBondContact O-CG 3.42Å; M115-F119 PolarHBondContact O-N 2.87Å; A116-F119 PolarHBondContact O-N 3.49Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.34Å; F119-R121 VanDerWaalsContact C-N 3.28Å; F119-R121 PolarHBondContact O-N 3.43Å; F119-E122 PolarHBondContact O-N 2.84Å; F119-L123 WeakPolarHBondContact O-CB 3.28Å; F119-L123 WeakPolarHBondContact O-CG 3.34Å; F119-L123 PolarHBondContact O-N 3Å; F119-F272 HydrophobicContact CD1-CB 3.93Å; F119-F272 HydrophobicContact CD1-CD1 4.41Å; F119-F272 HydrophobicContact CD1-CG 4.24Å; F119-F272 HydrophobicContact CD2-CB 4.27Å; F119-F272 AromaticContact CD2-CD1 3.64Å; F119-F272 HydrophobicContact CD2-CD1 3.64Å; F119-F272 AromaticContact CD2-CD2 3.91Å; F119-F272 HydrophobicContact CD2-CD2 3.91Å; F119-F272 AromaticContact CD2-CE1 3.77Å; F119-F272 HydrophobicContact CD2-CE1 3.77Å; F119-F272 HydrophobicContact CD2-CE2 4.03Å; F119-F272 AromaticContact CD2-CG 3.69Å; F119-F272 HydrophobicContact CD2-CG 3.69Å; F119-F272 AromaticContact CD2-CZ 3.94Å; F119-F272 HydrophobicContact CD2-CZ 3.94Å; F119-F272 HydrophobicContact CE1-CB 3.19Å; F119-F272 HydrophobicContact CE1-CD1 4.31Å; F119-F272 HydrophobicContact CE1-CD2 4.24Å; F119-F272 AromaticContact CE1-CG 3.71Å; F119-F272 HydrophobicContact CE1-CG 3.71Å; F119-F272 HydrophobicContact CE2-CB 3.7Å; F119-F272 AromaticContact CE2-CD1 3.67Å; F119-F272 HydrophobicContact CE2-CD1 3.67Å; F119-F272 AromaticContact CE2-CD2 3.08Å; F119-F272 HydrophobicContact CE2-CD2 3.08Å; F119-F272 AromaticContact CE2-CE1 3.94Å; F119-F272 HydrophobicContact CE2-CE1 3.94Å; F119-F272 AromaticContact CE2-CE2 3.41Å; F119-F272 HydrophobicContact CE2-CE2 3.41Å; F119-F272 VanDerWaalsContact CE2-CE2 3.41Å; F119-F272 AromaticContact CE2-CG 3.2Å; F119-F272 HydrophobicContact CE2-CG 3.2Å; F119-F272 AromaticContact CE2-CZ 3.81Å; F119-F272 HydrophobicContact CE2-CZ 3.81Å; F119-F272 HydrophobicContact CG-CB 4.39Å; F119-F272 HydrophobicContact CG-CD1 4.06Å; F119-F272 HydrophobicContact CG-CE1 4.48Å; F119-F272 HydrophobicContact CG-CG 4.21Å; F119-F272 HydrophobicContact CZ-CB 3.1Å; F119-F272 HydrophobicContact CZ-CD1 4.01Å; F119-F272 AromaticContact CZ-CD2 3.29Å; F119-F272 HydrophobicContact CZ-CD2 3.29Å; F119-F272 HydrophobicContact CZ-CE2 4.09Å; F119-F272 AromaticContact CZ-CG 3.2Å; F119-F272 HydrophobicContact CZ-CG 3.2Å; F119-F276 HydrophobicContact CB-CE2 4.19Å; F119-F276 HydrophobicContact CB-CZ 4.16Å; F119-F276 AromaticContact CD1-CE2 3.62Å; F119-F276 HydrophobicContact CD1-CE2 3.62Å; F119-F276 HydrophobicContact CD1-CZ 4.15Å; F119-F276 HydrophobicContact CE1-CE2 4.21Å; F119-F276 HydrophobicContact CG-CE2 4.15Å; F119-F276 HydrophobicContact CG-CZ 4.26Å; F119-R473 VanDerWaalsContact CZ-NH2 3.35Å
120	N	94.3	Very high	92.9	Very high	29 Å²	29	42.9 Å²	42.9	16%	0.155	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-39.4	176.7	-76.5	-20.7	0	0	0	111.3	A116 S117 L123 Q124 P130 V131 C132	A116-N120 WeakPolarHBondContact O-CB 3.14Å; A116-N120 PolarHBondContact O-N 3Å; S117-N120 PolarHBondContact O-N 2.95Å; N120-L123 PolarHBondContact O-N 3.32Å; N120-Q124 WeakPolarHBondContact O-CB 3.42Å; N120-Q124 VanDerWaalsContact O-CG 3.22Å; N120-Q124 WeakPolarHBondContact O-CG 3.23Å; N120-Q124 PolarHBondContact O-N 2.84Å; N120-P130 HydrophobicContact CB-CB 3.95Å; N120-P130 WeakPolarHBondContact OD1-CA 3.41Å; N120-P130 WeakPolarHBondContact OD1-CB 3.42Å; N120-V131 PolarHBondContact OD1-N 3.34Å; N120-C132 PolarHBondContact ND2-O 3.32Å; N120-C132 WeakPolarHBondContact OD1-CB 3.2Å; N120-C132 PolarHBondContact OD1-N 2.92Å
121	R	90.9	Very high	92.8	Very high	93 Å²	93	42.9 Å²	42.9	35%	0.351	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-43.4	173.3	-74.7	-169.8	-61.8	-98.3	0.7	112.5	S117 F119 Q124 R125	S117-R121 WeakPolarHBondContact O-CG 3.07Å; S117-R121 PolarHBondContact O-N 3.31Å; S117-R121 VanDerWaalsContact O-N 3.07Å; F119-R121 VanDerWaalsContact C-N 3.28Å; F119-R121 PolarHBondContact O-N 3.43Å; R121-Q124 PolarHBondContact O-N 3.23Å; R121-R125 PolarHBondContact O-N 3.09Å
122	E	87.5	Confident	92.8	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-39.7	177.9	-176.3	60.9	-170.7	0	0	112.1	G118 F119 R125 L126	G118-E122 PolarHBondContact O-N 3.32Å; G118-E122 VanDerWaalsContact O-N 3.13Å; F119-E122 PolarHBondContact O-N 2.84Å; E122-R125 WeakPolarHBondContact O-CB 3.29Å; E122-R125 PolarHBondContact O-N 3.35Å; E122-R125 IonicContact OE1-CZ 2.75Å; E122-R125 IonicContact OE1-NE 2.62Å; E122-R125 PolarHBondContact OE1-NE 3.39Å; E122-R125 IonicContact OE1-NH2 2.6Å; E122-R125 PolarHBondContact OE1-NH2 2.84Å; E122-R125 IonicContact OE2-CZ 3.33Å; E122-R125 IonicContact OE2-NE 3.32Å; E122-R125 PolarHBondContact OE2-NE 3.16Å; E122-R125 IonicContact OE2-NH2 3.73Å; E122-L126 HydrophobicContact CG-CD1 4.28Å; E122-L126 WeakPolarHBondContact O-CG 3.44Å; E122-L126 PolarHBondContact O-N 2.87Å
123	L	89.1	Confident	92.8	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-46.2	174.3	-73.9	172	0	0	0	111.3	L92 F119 N120 R125 L126 N127 Y128 V131 F276	L92-L123 HydrophobicContact CD2-CD1 4.24Å; L92-L123 HydrophobicContact CD2-CD2 3.79Å; F119-L123 WeakPolarHBondContact O-CB 3.28Å; F119-L123 WeakPolarHBondContact O-CG 3.34Å; F119-L123 PolarHBondContact O-N 3Å; N120-L123 PolarHBondContact O-N 3.32Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.2Å; L123-L126 CarbonylContact O-C 3.36Å; L123-L126 WeakPolarHBondContact O-CA 3.39Å; L123-L126 PolarHBondContact O-N 2.85Å; L123-N127 PolarHBondContact O-N 2.92Å; L123-N127 VanDerWaalsContact O-N 3.12Å; L123-Y128 CarbonylContact C-O 3.57Å; L123-Y128 HydrophobicContact CD2-CD2 4.33Å; L123-Y128 HydrophobicContact CD2-CG 4.3Å; L123-Y128 PolarHBondContact O-N 3.2Å; L123-V131 HydrophobicContact CD1-CG2 3.74Å; L123-F276 HydrophobicContact CD1-CE1 4.46Å; L123-F276 HydrophobicContact CD1-CZ 4.21Å; L123-F276 HydrophobicContact CD2-CD1 4.07Å; L123-F276 HydrophobicContact CD2-CE1 3.89Å; L123-F276 HydrophobicContact CD2-CE2 4.44Å; L123-F276 HydrophobicContact CD2-CG 4.46Å; L123-F276 HydrophobicContact CD2-CZ 4.08Å; L123-F276 HydrophobicContact CG-CE1 4.37Å; L123-F276 HydrophobicContact CG-CE2 4.39Å; L123-F276 HydrophobicContact CG-CZ 4.08Å
124	Q	90.9	Very high	92.8	Very high	108 Å²	108	44.5 Å²	44.5	51%	0.505	22%	0.224	S	C	.	.	H	α-helix	trans	-59.5	-42.7	175.5	-73.9	169.5	-7.5	0	0	111.7	N120 R121 L126 N127	N120-Q124 WeakPolarHBondContact O-CB 3.42Å; N120-Q124 VanDerWaalsContact O-CG 3.22Å; N120-Q124 WeakPolarHBondContact O-CG 3.23Å; N120-Q124 PolarHBondContact O-N 2.84Å; R121-Q124 PolarHBondContact O-N 3.23Å; Q124-L126 PolarHBondContact O-N 3.46Å; Q124-N127 WeakPolarHBondContact O-CA 3.47Å; Q124-N127 PolarHBondContact O-N 3.03Å
125	R	87.9	Confident	92.9	Very high	137 Å²	137	44.9 Å²	44.9	52%	0.517	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-30.6	174.9	-166	-178.8	77.1	88.3	4.7	112.6	R121 E122 L123 N127	R121-R125 PolarHBondContact O-N 3.09Å; E122-R125 WeakPolarHBondContact O-CB 3.29Å; E122-R125 PolarHBondContact O-N 3.35Å; E122-R125 IonicContact OE1-CZ 2.75Å; E122-R125 IonicContact OE1-NE 2.62Å; E122-R125 PolarHBondContact OE1-NE 3.39Å; E122-R125 IonicContact OE1-NH2 2.6Å; E122-R125 PolarHBondContact OE1-NH2 2.84Å; E122-R125 IonicContact OE2-CZ 3.33Å; E122-R125 IonicContact OE2-NE 3.32Å; E122-R125 PolarHBondContact OE2-NE 3.16Å; E122-R125 IonicContact OE2-NH2 3.73Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.2Å; R125-N127 VanDerWaalsContact C-N 3.33Å
126	L	84.8	Confident	93	Very high	68 Å²	68	45.2 Å²	45.2	36%	0.356	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.4	176.1	-64.3	175	0	0	0	113.2	E122 L123 Q124 Y128	E122-L126 HydrophobicContact CG-CD1 4.28Å; E122-L126 WeakPolarHBondContact O-CG 3.44Å; E122-L126 PolarHBondContact O-N 2.87Å; L123-L126 CarbonylContact O-C 3.36Å; L123-L126 WeakPolarHBondContact O-CA 3.39Å; L123-L126 PolarHBondContact O-N 2.85Å; Q124-L126 PolarHBondContact O-N 3.46Å; L126-Y128 VanDerWaalsContact C-N 3.3Å; L126-Y128 HydrophobicContact CB-CD2 3.63Å; L126-Y128 HydrophobicContact CB-CE2 3.95Å; L126-Y128 WeakPolarHBondContact O-CD2 3.2Å; L126-Y128 PolarHBondContact O-N 2.88Å
127	N	88.4	Confident	92.9	Very high	157 Å²	157	45.2 Å²	45.2	84%	0.84	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	31	-176.2	-59.7	-50.8	0	0	0	114.8	L123 Q124 R125	L123-N127 PolarHBondContact O-N 2.92Å; L123-N127 VanDerWaalsContact O-N 3.12Å; Q124-N127 WeakPolarHBondContact O-CA 3.47Å; Q124-N127 PolarHBondContact O-N 3.03Å; R125-N127 VanDerWaalsContact C-N 3.33Å
128	Y	88.7	Confident	93	Very high	113 Å²	113	45.6 Å²	45.6	44%	0.443	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-97.2	152.6	168.5	-68.6	-81.3	0	0	0	111.3	L123 L126	L123-Y128 CarbonylContact C-O 3.57Å; L123-Y128 HydrophobicContact CD2-CD2 4.33Å; L123-Y128 HydrophobicContact CD2-CG 4.3Å; L123-Y128 PolarHBondContact O-N 3.2Å; L126-Y128 VanDerWaalsContact C-N 3.3Å; L126-Y128 HydrophobicContact CB-CD2 3.63Å; L126-Y128 HydrophobicContact CB-CE2 3.95Å; L126-Y128 WeakPolarHBondContact O-CD2 3.2Å; L126-Y128 PolarHBondContact O-N 2.88Å
129	A	92.4	Very high	93.1	Very high	41 Å²	41	45.9 Å²	45.9	34%	0.339	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-66	145.2	170.1	0	0	0	0	0	110.8	P95 V131	P95-A129 HydrophobicContact CB-CB 4Å; P95-A129 HydrophobicContact CG-CB 4.31Å; A129-V131 PolarHBondContact O-N 2.96Å
130	P	94.4	Very high	93.3	Very high	68 Å²	68	45.9 Å²	45.9	44%	0.442	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-65	132.2	172.4	28.2	-33.6	0	0	0	110	N120	N120-P130 HydrophobicContact CB-CB 3.95Å; N120-P130 WeakPolarHBondContact OD1-CA 3.41Å; N120-P130 WeakPolarHBondContact OD1-CB 3.42Å
131	V	96.3	Very high	93.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	25%	0.252	C	S	.	.			trans	-127.2	1.5	-180	-61.3	0	0	0	0	113.2	I91 L92 P95 L99 V100 N120 L123 A129	I91-V131 HydrophobicContact CG2-CB 4.12Å; I91-V131 HydrophobicContact CG2-CG2 4.27Å; L92-V131 HydrophobicContact CD2-CG2 3.63Å; P95-V131 HydrophobicContact CB-CG1 3.46Å; P95-V131 VanDerWaalsContact CB-CG1 3.46Å; L99-V131 WeakPolarHBondContact CD1-O 3.46Å; V100-V131 PolarHBondContact N-O 3.3Å; N120-V131 PolarHBondContact OD1-N 3.34Å; L123-V131 HydrophobicContact CD1-CG2 3.74Å; A129-V131 PolarHBondContact O-N 2.96Å
132	C	97.3	Very high	93.6	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.6	178.6	-62.6	0	0	0	0	110.3	V100 A116 N120	V100-C132 CarbonylContact O-C 3.58Å; V100-C132 WeakPolarHBondContact O-CA 3.48Å; A116-C132 HydrophobicContact CB-CB 4.06Å; N120-C132 PolarHBondContact ND2-O 3.32Å; N120-C132 WeakPolarHBondContact OD1-CB 3.2Å; N120-C132 PolarHBondContact OD1-N 2.92Å
133	S	98.2	Very high	93.9	Very high	19 Å²	19	44.4 Å²	44.4	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	161	165.6	-164.9	0	0	0	0	110.1	V100 V101 L102 V164	V100-S133 PolarHBondContact O-N 2.93Å; V101-S133 WeakPolarHBondContact CA-O 3.19Å; L102-S133 PolarHBondContact N-O 3.38Å; S133-V164 WeakPolarHBondContact OG-CG2 3.49Å
134	Y	98.6	Very high	93.9	Very high	10 Å²	10	45.1 Å²	45.1	4%	0.039	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.4	177.7	72.5	-81.5	0	0	0	111.3	L102 F113 A116 I136 D140 L143 N367 N368	L102-Y134 CarbonylContact O-C 3.59Å; L102-Y134 WeakPolarHBondContact O-CA 3.24Å; F113-Y134 HydrophobicContact CB-CD1 4.48Å; F113-Y134 HydrophobicContact CB-CD2 3.78Å; F113-Y134 HydrophobicContact CB-CE2 4.09Å; F113-Y134 HydrophobicContact CB-CG 3.99Å; F113-Y134 AromaticContact CD2-CD1 3.78Å; F113-Y134 HydrophobicContact CD2-CD1 3.78Å; F113-Y134 HydrophobicContact CD2-CD2 4.16Å; F113-Y134 AromaticContact CD2-CE1 3.45Å; F113-Y134 HydrophobicContact CD2-CE1 3.45Å; F113-Y134 VanDerWaalsContact CD2-CE1 3.45Å; F113-Y134 AromaticContact CD2-CE2 3.85Å; F113-Y134 HydrophobicContact CD2-CE2 3.85Å; F113-Y134 HydrophobicContact CD2-CG 4.12Å; F113-Y134 AromaticContact CD2-CZ 3.48Å; F113-Y134 VanDerWaalsContact CD2-CZ 3.48Å; F113-Y134 AromaticContact CE2-CE1 4Å; F113-Y134 HydrophobicContact CE2-CE1 4Å; F113-Y134 HydrophobicContact CG-CD2 4.43Å; F113-Y134 HydrophobicContact CG-CE2 4.32Å; A116-Y134 HydrophobicContact CB-CD1 4.4Å; Y134-I136 HydrophobicContact CD2-CG2 4.36Å; Y134-I136 HydrophobicContact CE2-CG2 4.23Å; Y134-D140 WeakPolarHBondContact CE2-OD1 3.45Å; Y134-D140 VanDerWaalsContact OH-CG 3.23Å; Y134-D140 PolarHBondContact OH-OD1 3.43Å; Y134-D140 PolarHBondContact OH-OD2 2.63Å; Y134-L143 HydrophobicContact CE2-CD1 4.43Å; Y134-N367 WeakPolarHBondContact OH-CA 3.41Å; Y134-N368 VanDerWaalsContact CE1-ND2 3.32Å; Y134-N368 WeakPolarHBondContact CE1-ND2 3.3Å; Y134-N368 PolarHBondContact OH-N 2.92Å; Y134-N368 PolarHBondContact OH-ND2 3.21Å
135	V	98.5	Very high	93.6	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.073	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.6	170	179.6	0	0	0	0	108.2	V101 L102 S103 G104 C160 V164 F184	V101-V135 HydrophobicContact CG1-CG2 3.92Å; L102-V135 PolarHBondContact O-N 3.35Å; S103-V135 VanDerWaalsContact CA-O 3.22Å; S103-V135 WeakPolarHBondContact CA-O 3.38Å; S103-V135 PolarHBondContact OG-O 3.41Å; G104-V135 PolarHBondContact N-O 3.44Å; V135-C160 HydrophobicContact CG1-CB 3.67Å; V135-V164 HydrophobicContact CG2-CB 4.35Å; V135-V164 HydrophobicContact CG2-CG1 3.8Å; V135-F184 HydrophobicContact CG1-CE1 3.88Å; V135-F184 HydrophobicContact CG1-CZ 3.7Å
136	I	98.1	Very high	93.4	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.5	174.6	179.7	169.7	0	0	0	109.2	G104 R110 Y134 G138 G139 A142 L143	G104-I136 WeakPolarHBondContact O-CA 3.38Å; R110-I136 HydrophobicContact CG-CD1 3.99Å; Y134-I136 HydrophobicContact CD2-CG2 4.36Å; Y134-I136 HydrophobicContact CE2-CG2 4.23Å; I136-G138 PolarHBondContact O-N 3.41Å; I136-G139 VanDerWaalsContact CG2-O 3.25Å; I136-G139 WeakPolarHBondContact CG2-O 3.34Å; I136-G139 PolarHBondContact O-N 3.44Å; I136-G139 VanDerWaalsContact O-N 3.07Å; I136-A142 HydrophobicContact CD1-CB 3.61Å; I136-A142 HydrophobicContact CG1-CB 3.82Å; I136-L143 HydrophobicContact CD1-CD2 4.01Å; I136-L143 HydrophobicContact CG2-CD2 4.36Å
137	A	96.6	Very high	93.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	122.1	172.5	0	0	0	0	0	109.7	G104 C105 A142 P150 F184	G104-A137 PolarHBondContact O-N 2.92Å; C105-A137 HydrophobicContact CB-CB 4.2Å; A137-A142 WeakPolarHBondContact O-CB 3.35Å; A137-P150 HydrophobicContact CB-CB 4.08Å; A137-F184 HydrophobicContact CB-CB 4.45Å; A137-F184 HydrophobicContact CB-CD1 4.04Å; A137-F184 HydrophobicContact CB-CD2 3.83Å; A137-F184 HydrophobicContact CB-CE1 4.17Å; A137-F184 HydrophobicContact CB-CE2 3.96Å; A137-F184 HydrophobicContact CB-CG 3.86Å; A137-F184 HydrophobicContact CB-CZ 4.14Å
138	G	94.9	Very high	93	Very high	22 Å²	22	28.7 Å²	28.7	23%	0.227	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	3.2	-174.8	0	0	0	0	0	115.7	I136	I136-G138 PolarHBondContact O-N 3.41Å
139	G	96.4	Very high	92.7	Very high	24 Å²	24	26.6 Å²	26.6	25%	0.247	16%	0.163	C	C	.	.			trans	67.3	-165	178.9	0	0	0	0	0	112.7	I136 R141 A142	I136-G139 VanDerWaalsContact CG2-O 3.25Å; I136-G139 WeakPolarHBondContact CG2-O 3.34Å; I136-G139 PolarHBondContact O-N 3.44Å; I136-G139 VanDerWaalsContact O-N 3.07Å; G139-R141 PolarHBondContact O-N 3.49Å; G139-R141 VanDerWaalsContact O-N 3.12Å; G139-A142 VanDerWaalsContact O-CB 3.27Å; G139-A142 WeakPolarHBondContact O-CB 3.46Å; G139-A142 PolarHBondContact O-N 2.88Å
140	D	96.3	Very high	92.6	Very high	2 Å²	2	26 Å²	26	1%	0.011	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.1	-174.1	-76.5	-4.9	0	0	0	113.4	Y134 A142 L143 N367 N368 E369 L372	Y134-D140 WeakPolarHBondContact CE2-OD1 3.45Å; Y134-D140 VanDerWaalsContact OH-CG 3.23Å; Y134-D140 PolarHBondContact OH-OD1 3.43Å; Y134-D140 PolarHBondContact OH-OD2 2.63Å; D140-A142 PolarHBondContact O-N 3.48Å; D140-L143 HydrophobicContact CB-CD1 4.1Å; D140-L143 VanDerWaalsContact O-CB 3.25Å; D140-L143 WeakPolarHBondContact O-CB 3.25Å; D140-L143 WeakPolarHBondContact O-CG 3.49Å; D140-L143 PolarHBondContact O-N 3.07Å; D140-N367 VanDerWaalsContact OD2-CB 3.25Å; D140-N367 WeakPolarHBondContact OD2-CB 3.25Å; D140-N367 PolarHBondContact OD2-ND2 3.42Å; D140-N368 WeakPolarHBondContact OD2-CA 3.34Å; D140-N368 PolarHBondContact OD2-N 3.4Å; D140-E369 HydrophobicContact CB-CB 3.95Å; D140-E369 HydrophobicContact CB-CG 3.98Å; D140-E369 PolarHBondContact N-OE1 3.31Å; D140-E369 WeakPolarHBondContact OD2-CB 3.49Å; D140-E369 PolarHBondContact OD2-N 3.45Å; D140-L372 HydrophobicContact CB-CD1 3.96Å
141	R	94.8	Very high	92.4	Very high	122 Å²	122	23.3 Å²	23.3	46%	0.46	14%	0.137	S	C	.	.	H	α-helix	trans	-53.3	-37.6	169.4	-53.8	-172.9	152.3	-154	-14.1	111.9	G139 L143 F144 S145 Q147 M375 F379	G139-R141 PolarHBondContact O-N 3.49Å; G139-R141 VanDerWaalsContact O-N 3.12Å; R141-L143 PolarHBondContact O-N 3.44Å; R141-F144 PolarHBondContact O-N 3.11Å; R141-S145 PolarHBondContact O-N 2.84Å; R141-S145 PolarHBondContact O-OG 3.12Å; R141-Q147 HydrophobicContact CB-CG 4.47Å; R141-M375 HydrophobicContact CB-CE 4.18Å; R141-M375 VanDerWaalsContact CD-CE 3.41Å; R141-M375 HydrophobicContact CG-CE 3.52Å; R141-M375 HydrophobicContact CG-SD 3.89Å; R141-M375 PolarHBondContact NE-SD 3.4Å; R141-M375 VanDerWaalsContact NH2-CE 3.34Å; R141-M375 PolarHBondContact NH2-SD 3.44Å; R141-M375 VanDerWaalsContact NH2-SD 3.41Å; R141-F379 HydrophobicContact CB-CE1 4.48Å
142	A	94.7	Very high	92.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-71.4	-14.1	-179.5	0	0	0	0	0	113.3	R110 I136 A137 G139 D140 F144 S145 Q147	R110-A142 PolarHBondContact NE-O 3.38Å; R110-A142 PolarHBondContact NH2-O 3.29Å; I136-A142 HydrophobicContact CD1-CB 3.61Å; I136-A142 HydrophobicContact CG1-CB 3.82Å; A137-A142 WeakPolarHBondContact O-CB 3.35Å; G139-A142 VanDerWaalsContact O-CB 3.27Å; G139-A142 WeakPolarHBondContact O-CB 3.46Å; G139-A142 PolarHBondContact O-N 2.88Å; D140-A142 PolarHBondContact O-N 3.48Å; A142-F144 VanDerWaalsContact C-N 3.27Å; A142-F144 PolarHBondContact O-N 3.41Å; A142-S145 CarbonylContact C-O 3.55Å; A142-S145 WeakPolarHBondContact CA-O 3.1Å; A142-S145 VanDerWaalsContact O-O 3.11Å; A142-Q147 HydrophobicContact CB-CB 3.83Å; A142-Q147 HydrophobicContact CB-CG 3.9Å
143	L	93.8	Very high	92.1	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-32.9	175.8	-63	175.2	0	0	0	111.9	R110 F113 Y134 I136 D140 R141 N367	R110-L143 HydrophobicContact CG-CD2 4.42Å; R110-L143 PolarHBondContact NE-O 2.74Å; F113-L143 HydrophobicContact CB-CD2 3.57Å; F113-L143 HydrophobicContact CD1-CD1 4.09Å; F113-L143 HydrophobicContact CD1-CD2 3.78Å; F113-L143 HydrophobicContact CD2-CD1 4.22Å; F113-L143 HydrophobicContact CE1-CD1 4.21Å; F113-L143 HydrophobicContact CE2-CD1 4.34Å; F113-L143 HydrophobicContact CG-CD1 4.08Å; F113-L143 HydrophobicContact CG-CD2 3.7Å; F113-L143 HydrophobicContact CZ-CD1 4.33Å; Y134-L143 HydrophobicContact CE2-CD1 4.43Å; I136-L143 HydrophobicContact CD1-CD2 4.01Å; I136-L143 HydrophobicContact CG2-CD2 4.36Å; D140-L143 HydrophobicContact CB-CD1 4.1Å; D140-L143 VanDerWaalsContact O-CB 3.25Å; D140-L143 WeakPolarHBondContact O-CB 3.25Å; D140-L143 WeakPolarHBondContact O-CG 3.49Å; D140-L143 PolarHBondContact O-N 3.07Å; R141-L143 PolarHBondContact O-N 3.44Å; L143-N367 HydrophobicContact CD1-CB 3.91Å
144	F	89.1	Confident	92	Very high	19 Å²	19	27.4 Å²	27.4	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-117.8	-23.2	-171.5	-45.6	-69.4	0	0	0	113.3	R141 A142 L337 Y362 L365 L372 F379 I381	R141-F144 PolarHBondContact O-N 3.11Å; A142-F144 VanDerWaalsContact C-N 3.27Å; A142-F144 PolarHBondContact O-N 3.41Å; F144-L337 HydrophobicContact CD1-CD1 4.46Å; F144-L337 HydrophobicContact CD1-CD2 4.48Å; F144-L337 HydrophobicContact CE1-CD1 4.13Å; F144-Y362 HydrophobicContact CD2-CE1 4.19Å; F144-Y362 HydrophobicContact CE2-CD1 4.46Å; F144-Y362 AromaticContact CE2-CE1 3.48Å; F144-Y362 HydrophobicContact CE2-CE1 3.48Å; F144-Y362 VanDerWaalsContact CE2-CE1 3.48Å; F144-Y362 HydrophobicContact CZ-CD1 4.41Å; F144-Y362 AromaticContact CZ-CE1 3.71Å; F144-Y362 HydrophobicContact CZ-CE1 3.71Å; F144-L365 HydrophobicContact CE1-CD1 3.49Å; F144-L365 VanDerWaalsContact CE1-CD1 3.49Å; F144-L365 HydrophobicContact CZ-CD1 3.48Å; F144-L365 VanDerWaalsContact CZ-CD1 3.48Å; F144-L372 HydrophobicContact CD2-CD1 4.25Å; F144-L372 HydrophobicContact CE2-CD1 4.16Å; F144-F379 HydrophobicContact CB-CD1 4.11Å; F144-F379 HydrophobicContact CB-CE1 4.21Å; F144-F379 HydrophobicContact CD2-CD1 4.09Å; F144-F379 HydrophobicContact CD2-CE1 4.39Å; F144-F379 HydrophobicContact CG-CD1 4.49Å; F144-I381 HydrophobicContact CD1-CD1 4.19Å; F144-I381 HydrophobicContact CD1-CG2 4.22Å; F144-I381 HydrophobicContact CE1-CD1 3.72Å; F144-I381 HydrophobicContact CZ-CD1 4.02Å
145	S	86.4	Confident	91.9	Very high	7 Å²	7	31.1 Å²	31.1	5%	0.049	18%	0.182	C	C	.	.	S	Bend	trans	-120.5	155.4	177.3	70.1	0	0	0	0	110.7	R110 R141 A142 Q147	R110-S145 PolarHBondContact NH2-O 2.84Å; R141-S145 PolarHBondContact O-N 2.84Å; R141-S145 PolarHBondContact O-OG 3.12Å; A142-S145 CarbonylContact C-O 3.55Å; A142-S145 WeakPolarHBondContact CA-O 3.1Å; A142-S145 VanDerWaalsContact O-O 3.11Å; S145-Q147 PolarHBondContact O-N 3.21Å; S145-Q147 PolarHBondContact OG-NE2 2.98Å
146	S	82.6	Confident	91.8	Very high	22 Å²	22	33.4 Å²	33.4	15%	0.154	19%	0.193	C	C	.	.			trans	-75.3	121.1	172.6	-164.5	0	0	0	0	110.6	E148	S146-E148 WeakPolarHBondContact OG-CG 3.1Å
147	Q	86.4	Confident	91.7	Very high	69 Å²	69	33 Å²	33	32%	0.322	19%	0.191	S	C	.	.			trans	-127.3	85.5	177	-59.5	-63.1	-35.4	0	0	107.9	R141 A142 S145	R141-Q147 HydrophobicContact CB-CG 4.47Å; A142-Q147 HydrophobicContact CB-CB 3.83Å; A142-Q147 HydrophobicContact CB-CG 3.9Å; S145-Q147 PolarHBondContact O-N 3.21Å; S145-Q147 PolarHBondContact OG-NE2 2.98Å
148	E	78.1	Confident	91.8	Very high	26 Å²	26	33.7 Å²	33.7	12%	0.121	20%	0.196	C	C	.	.			trans	-91.5	-32	-172	-65.4	-149	-158.4	0	0	114	S146 P150 E151 P345 T508 N509 L512	S146-E148 WeakPolarHBondContact OG-CG 3.1Å; E148-P150 VanDerWaalsContact C-CD 3.47Å; E148-P150 VanDerWaalsContact C-N 3.34Å; E148-E151 WeakPolarHBondContact O-CB 3.22Å; E148-E151 PolarHBondContact O-N 2.73Å; E148-P345 WeakPolarHBondContact OE1-CB 3.36Å; E148-T508 VanDerWaalsContact CB-OG1 3.23Å; E148-T508 WeakPolarHBondContact CB-OG1 3.22Å; E148-T508 WeakPolarHBondContact CG-OG1 3.45Å; E148-T508 PolarHBondContact OE2-OG1 3.38Å; E148-N509 HydrophobicContact CB-CB 4.19Å; E148-N509 PolarHBondContact OE2-ND2 3.33Å; E148-L512 WeakPolarHBondContact OE1-CD1 3.32Å; E148-L512 WeakPolarHBondContact OE2-CD1 3.44Å
149	A	82.5	Confident	92	Very high	69 Å²	69	37.6 Å²	37.6	57%	0.57	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-56.2	-40.5	-178.9	0	0	0	0	0	113.5	E151 D152	A149-E151 PolarHBondContact O-N 3.21Å; A149-E151 VanDerWaalsContact O-N 3.1Å; A149-D152 PolarHBondContact O-N 3.06Å
150	P	89.9	Confident	92.1	Very high	29 Å²	29	38.3 Å²	38.3	19%	0.188	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.4	-16.3	176.1	-24.7	36.6	0	0	0	114.9	A137 E148 D152 D153 L156 F184	A137-P150 HydrophobicContact CB-CB 4.08Å; E148-P150 VanDerWaalsContact C-CD 3.47Å; E148-P150 VanDerWaalsContact C-N 3.34Å; P150-D152 PolarHBondContact O-N 2.94Å; P150-D153 PolarHBondContact O-N 2.94Å; P150-L156 HydrophobicContact CB-CD2 4.23Å; P150-F184 WeakPolarHBondContact O-CD2 3.29Å
151	E	92.1	Very high	92.2	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.051	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-61.3	-31.8	175.7	180	172.1	147.5	0	0	111.7	C105 E148 A149 D153 A182 P183 F184 K511	C105-E151 HydrophobicContact CB-CB 4.07Å; C105-E151 HydrophobicContact CB-CG 3.78Å; C105-E151 WeakPolarHBondContact CB-OE2 3.29Å; E148-E151 WeakPolarHBondContact O-CB 3.22Å; E148-E151 PolarHBondContact O-N 2.73Å; A149-E151 PolarHBondContact O-N 3.21Å; A149-E151 VanDerWaalsContact O-N 3.1Å; E151-D153 VanDerWaalsContact C-N 3.32Å; E151-D153 PolarHBondContact O-N 3.4Å; E151-A182 HydrophobicContact CG-CB 3.89Å; E151-P183 VanDerWaalsContact O-CD 3.24Å; E151-P183 WeakPolarHBondContact O-CD 3.34Å; E151-F184 WeakPolarHBondContact O-CB 3.23Å; E151-F184 PolarHBondContact O-N 3.11Å; E151-K511 IonicContact OE1-NZ 2.7Å; E151-K511 PolarHBondContact OE1-NZ 2.94Å; E151-K511 IonicContact OE2-NZ 2.79Å; E151-K511 PolarHBondContact OE2-NZ 3.41Å
152	D	91.8	Very high	92.3	Very high	43 Å²	43	38.4 Å²	38.4	23%	0.23	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-84.8	1.2	-175.1	-77.3	-42	0	0	0	114.2	A149 P150 P154 P183 R213 N509 S510	A149-D152 PolarHBondContact O-N 3.06Å; P150-D152 PolarHBondContact O-N 2.94Å; D152-P154 VanDerWaalsContact O-CD 3.24Å; D152-P154 WeakPolarHBondContact O-CD 3.49Å; D152-P183 WeakPolarHBondContact O-CB 3.47Å; D152-R213 IonicContact OD1-NH1 2.7Å; D152-N509 WeakPolarHBondContact OD2-CA 3.32Å; D152-N509 WeakPolarHBondContact OD2-CB 3.48Å; D152-S510 WeakPolarHBondContact OD1-CB 3.47Å; D152-S510 PolarHBondContact OD1-OG 3.18Å; D152-S510 WeakPolarHBondContact OD2-CB 3.4Å; D152-S510 PolarHBondContact OD2-N 3.41Å; D152-S510 PolarHBondContact OD2-OG 3.33Å
153	D	94.1	Very high	92.5	Very high	65 Å²	65	46.3 Å²	46.3	35%	0.348	25%	0.25	S	S	.	.			trans	-102.6	100	-179.2	-170.3	-20.2	0	0	0	112.7	P150 E151 T155 L156 G157 F184	P150-D153 PolarHBondContact O-N 2.94Å; E151-D153 VanDerWaalsContact C-N 3.32Å; E151-D153 PolarHBondContact O-N 3.4Å; D153-T155 VanDerWaalsContact C-N 3.32Å; D153-T155 PolarHBondContact O-N 3.46Å; D153-T155 WeakPolarHBondContact OD1-CA 3.32Å; D153-T155 WeakPolarHBondContact OD1-CB 3.22Å; D153-T155 PolarHBondContact OD1-N 2.98Å; D153-L156 HydrophobicContact CB-CB 3.84Å; D153-L156 PolarHBondContact OD1-N 3.2Å; D153-L156 WeakPolarHBondContact OD2-CB 3.43Å; D153-G157 PolarHBondContact O-N 3.38Å; D153-F184 WeakPolarHBondContact O-CA 3.37Å
154	P	95.9	Very high	92.7	Very high	9 Å²	9	48 Å²	48	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-69.6	-29	177.2	31.3	-37.5	0	0	0	113	D152 G157 A158 P183 G187 I217 C220	D152-P154 VanDerWaalsContact O-CD 3.24Å; D152-P154 WeakPolarHBondContact O-CD 3.49Å; P154-G157 PolarHBondContact O-N 3.26Å; P154-A158 PolarHBondContact O-N 3.09Å; P154-A158 VanDerWaalsContact O-N 3.14Å; P154-P183 WeakPolarHBondContact CA-O 3.34Å; P154-P183 HydrophobicContact CB-CB 4.49Å; P154-P183 WeakPolarHBondContact CB-O 3.42Å; P154-G187 WeakPolarHBondContact O-CA 3.38Å; P154-I217 HydrophobicContact CG-CG2 3.84Å; P154-C220 HydrophobicContact CG-CB 4.24Å
155	T	96.2	Very high	93.1	Very high	88 Å²	88	47.2 Å²	47.2	54%	0.54	26%	0.258	S	S	.	.	H	α-helix	trans	-72.8	-45.5	-176.9	-57.7	0	0	0	0	109.8	D153 G157 A158 L159	D153-T155 VanDerWaalsContact C-N 3.32Å; D153-T155 PolarHBondContact O-N 3.46Å; D153-T155 WeakPolarHBondContact OD1-CA 3.32Å; D153-T155 WeakPolarHBondContact OD1-CB 3.22Å; D153-T155 PolarHBondContact OD1-N 2.98Å; T155-G157 VanDerWaalsContact C-N 3.27Å; T155-G157 PolarHBondContact O-N 3.46Å; T155-A158 PolarHBondContact O-N 3.31Å; T155-L159 HydrophobicContact CG2-CD1 4.07Å; T155-L159 HydrophobicContact CG2-CG 4.48Å; T155-L159 WeakPolarHBondContact O-CG 3.49Å; T155-L159 PolarHBondContact O-N 2.97Å
156	L	96.5	Very high	93.6	Very high	60 Å²	60	54.5 Å²	54.5	31%	0.314	29%	0.291	S	S	.	.	H	α-helix	trans	-56.9	-43.8	172.6	-179.2	64.3	0	0	0	111.1	P150 D153 A158 L159 C160 F184	P150-L156 HydrophobicContact CB-CD2 4.23Å; D153-L156 HydrophobicContact CB-CB 3.84Å; D153-L156 PolarHBondContact OD1-N 3.2Å; D153-L156 WeakPolarHBondContact OD2-CB 3.43Å; L156-A158 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 3.21Å; L156-C160 WeakPolarHBondContact O-CB 3.36Å; L156-C160 PolarHBondContact O-N 3.19Å; L156-C160 PolarHBondContact O-SG 3.16Å; L156-F184 HydrophobicContact CB-CE2 4.47Å; L156-F184 HydrophobicContact CD2-CE2 4.23Å; L156-F184 HydrophobicContact CG-CE2 4.01Å
157	G	97.5	Very high	94.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-52.9	-54.3	175	0	0	0	0	0	112.6	D153 P154 T155 L159 C160 L161 F184 Q188	D153-G157 PolarHBondContact O-N 3.38Å; P154-G157 PolarHBondContact O-N 3.26Å; T155-G157 VanDerWaalsContact C-N 3.27Å; T155-G157 PolarHBondContact O-N 3.46Å; G157-L159 PolarHBondContact O-N 3.45Å; G157-C160 PolarHBondContact O-N 3.05Å; G157-L161 PolarHBondContact O-N 3.44Å; G157-F184 VanDerWaalsContact CA-CE2 3.44Å; G157-Q188 WeakPolarHBondContact O-CG 3.47Å; G157-Q188 PolarHBondContact O-NE2 3.47Å
158	A	98	Very high	94.8	Very high	14 Å²	14	56.2 Å²	56.2	12%	0.116	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-41.1	179.1	0	0	0	0	0	112.7	P154 T155 L156 L161 K162 F191	P154-A158 PolarHBondContact O-N 3.09Å; P154-A158 VanDerWaalsContact O-N 3.14Å; T155-A158 PolarHBondContact O-N 3.31Å; L156-A158 PolarHBondContact O-N 2.97Å; A158-L161 PolarHBondContact O-N 3.48Å; A158-K162 WeakPolarHBondContact O-CB 3.43Å; A158-K162 PolarHBondContact O-N 3.09Å; A158-F191 HydrophobicContact CB-CB 3.94Å; A158-F191 HydrophobicContact CB-CD2 4.3Å; A158-F191 HydrophobicContact CB-CG 4.28Å
159	L	98.3	Very high	95.8	Very high	104 Å²	104	61.4 Å²	61.4	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-44.8	177.4	-72.5	170.7	0	0	0	112.1	T155 L156 G157 L161 K162 K163	T155-L159 HydrophobicContact CG2-CD1 4.07Å; T155-L159 HydrophobicContact CG2-CG 4.48Å; T155-L159 WeakPolarHBondContact O-CG 3.49Å; T155-L159 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 3.21Å; G157-L159 PolarHBondContact O-N 3.45Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L159-L161 PolarHBondContact O-N 2.92Å; L159-K162 PolarHBondContact O-N 3.3Å; L159-K163 WeakPolarHBondContact O-CB 3.37Å; L159-K163 PolarHBondContact O-N 3.48Å
160	C	98.3	Very high	96.5	Very high	40 Å²	40	63.3 Å²	63.3	27%	0.27	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-43.4	176.6	-71.5	0	0	0	0	111.6	V135 L156 G157 K163 V164 F184	V135-C160 HydrophobicContact CG1-CB 3.67Å; L156-C160 WeakPolarHBondContact O-CB 3.36Å; L156-C160 PolarHBondContact O-N 3.19Å; L156-C160 PolarHBondContact O-SG 3.16Å; G157-C160 PolarHBondContact O-N 3.05Å; C160-K163 PolarHBondContact O-N 3.32Å; C160-V164 PolarHBondContact O-N 3.32Å; C160-F184 HydrophobicContact CB-CZ 4.39Å
161	L	98.7	Very high	96.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-46.6	175.6	175.2	58.8	0	0	0	111.6	V101 G157 A158 L159 K163 V164 S165 F173 Q188 F191 C192 Y199	V101-L161 HydrophobicContact CB-CD1 4.1Å; V101-L161 HydrophobicContact CG1-CD1 3.84Å; V101-L161 HydrophobicContact CG2-CD1 4.18Å; G157-L161 PolarHBondContact O-N 3.44Å; A158-L161 PolarHBondContact O-N 3.48Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L159-L161 PolarHBondContact O-N 2.92Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.28Å; L161-V164 HydrophobicContact CD1-CG1 4.33Å; L161-V164 WeakPolarHBondContact O-CG1 3.41Å; L161-V164 PolarHBondContact O-N 3.42Å; L161-S165 WeakPolarHBondContact O-CB 3.47Å; L161-S165 PolarHBondContact O-N 3.36Å; L161-S165 VanDerWaalsContact O-N 3.14Å; L161-S165 PolarHBondContact O-OG 3.37Å; L161-F173 HydrophobicContact CD1-CD2 3.55Å; L161-F173 HydrophobicContact CD1-CE2 4.06Å; L161-F173 HydrophobicContact CD1-CG 4.36Å; L161-F173 HydrophobicContact CD2-CD2 3.76Å; L161-F173 HydrophobicContact CD2-CE2 4.04Å; L161-F173 HydrophobicContact CD2-CG 4.03Å; L161-F173 HydrophobicContact CG-CD2 4.28Å; L161-Q188 HydrophobicContact CB-CG 4.09Å; L161-Q188 HydrophobicContact CD2-CB 4.05Å; L161-Q188 HydrophobicContact CD2-CG 4.44Å; L161-F191 HydrophobicContact CD2-CD1 3.98Å; L161-F191 HydrophobicContact CG-CD1 4.4Å; L161-C192 WeakPolarHBondContact CD2-SG 3.26Å; L161-Y199 HydrophobicContact CD1-CE1 4.26Å; L161-Y199 HydrophobicContact CD2-CD1 4.46Å; L161-Y199 HydrophobicContact CD2-CE1 4.35Å; L161-Y199 HydrophobicContact CG-CE1 4.2Å
162	K	98.4	Very high	97.3	Very high	125 Å²	125	61.5 Å²	61.5	54%	0.543	32%	0.318	S	S	.	.	H	α-helix	trans	-58.1	-45.4	178	-176.9	-179.6	177.4	-176.6	0	111.3	A158 L159 S165 E166 F191	A158-K162 WeakPolarHBondContact O-CB 3.43Å; A158-K162 PolarHBondContact O-N 3.09Å; L159-K162 PolarHBondContact O-N 3.3Å; K162-S165 PolarHBondContact O-N 3.37Å; K162-E166 PolarHBondContact O-N 3.08Å; K162-F191 HydrophobicContact CB-CE1 4.32Å; K162-F191 HydrophobicContact CB-CE2 4.46Å; K162-F191 HydrophobicContact CB-CZ 3.94Å; K162-F191 HydrophobicContact CD-CE2 4.45Å; K162-F191 HydrophobicContact CD-CZ 4.29Å; K162-F191 HydrophobicContact CG-CZ 4.07Å
163	K	98.1	Very high	97.6	Very high	167 Å²	167	59.5 Å²	59.5	73%	0.726	31%	0.307	S	S	*	.	H	α-helix	trans	-61.6	-48.5	179.5	-175.9	-178.7	179	-175.6	0	112	L159 C160 L161 S165 E166	L159-K163 WeakPolarHBondContact O-CB 3.37Å; L159-K163 PolarHBondContact O-N 3.48Å; C160-K163 PolarHBondContact O-N 3.32Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.28Å; K163-S165 PolarHBondContact O-N 3.21Å; K163-E166 PolarHBondContact O-N 3.4Å
164	V	97.6	Very high	97.8	Very high	42 Å²	42	56.5 Å²	56.5	26%	0.255	29%	0.292	S	S	.	.	H	α-helix	trans	-70.9	-22.4	-175.7	77.3	0	0	0	0	113.2	L99 V101 S133 V135 C160 L161	L99-V164 WeakPolarHBondContact CD2-O 3.42Å; V101-V164 HydrophobicContact CG1-CG1 3.89Å; V101-V164 HydrophobicContact CG2-CG1 3.93Å; S133-V164 WeakPolarHBondContact OG-CG2 3.49Å; V135-V164 HydrophobicContact CG2-CB 4.35Å; V135-V164 HydrophobicContact CG2-CG1 3.8Å; C160-V164 PolarHBondContact O-N 3.32Å; L161-V164 HydrophobicContact CD1-CG1 4.33Å; L161-V164 WeakPolarHBondContact O-CG1 3.41Å; L161-V164 PolarHBondContact O-N 3.42Å
165	S	97.9	Very high	98	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.014	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	12.2	-178.9	58.6	0	0	0	0	114	L161 K162 K163 G167 K168 Y199	L161-S165 WeakPolarHBondContact O-CB 3.47Å; L161-S165 PolarHBondContact O-N 3.36Å; L161-S165 VanDerWaalsContact O-N 3.14Å; L161-S165 PolarHBondContact O-OG 3.37Å; K162-S165 PolarHBondContact O-N 3.37Å; K163-S165 PolarHBondContact O-N 3.21Å; S165-G167 PolarHBondContact O-N 3.16Å; S165-K168 WeakPolarHBondContact O-CB 3.43Å; S165-K168 PolarHBondContact O-N 3.47Å; S165-K168 VanDerWaalsContact O-N 3.13Å; S165-Y199 WeakPolarHBondContact OG-CE1 3.38Å; S165-Y199 PolarHBondContact OG-OH 3.47Å
166	E	97.3	Very high	98.1	Very high	160 Å²	160	52 Å²	52	75%	0.748	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	134.1	-179.2	-173.2	167.1	-153.8	0	0	111.8	K162 K163 K168	K162-E166 PolarHBondContact O-N 3.08Å; K163-E166 PolarHBondContact O-N 3.4Å; E166-K168 PolarHBondContact O-N 2.76Å
167	G	96.3	Very high	98.2	Very high	70 Å²	70	49.4 Å²	49.4	72%	0.722	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-6.4	-178.7	0	0	0	0	0	115.6	S165	S165-G167 PolarHBondContact O-N 3.16Å
168	K	97.9	Very high	98.2	Very high	56 Å²	56	49.7 Å²	49.7	24%	0.243	25%	0.253	C	S	.	.			trans	-80.4	137	178.2	-58	-64.5	178.4	173.1	0	111	Q96 D97 L99 S165 E166 V171	Q96-K168 PolarHBondContact O-NZ 3.34Å; D97-K168 CarbonylContact O-C 3.3Å; D97-K168 WeakPolarHBondContact O-CA 3.46Å; L99-K168 HydrophobicContact CB-CD 4.22Å; L99-K168 HydrophobicContact CB-CG 3.97Å; L99-K168 HydrophobicContact CD2-CG 4.39Å; S165-K168 WeakPolarHBondContact O-CB 3.43Å; S165-K168 PolarHBondContact O-N 3.47Å; S165-K168 VanDerWaalsContact O-N 3.13Å; E166-K168 PolarHBondContact O-N 2.76Å; K168-V171 HydrophobicContact CB-CG2 3.82Å
169	K	97.8	Very high	98.1	Very high	136 Å²	136	49.7 Å²	49.7	59%	0.591	25%	0.254	S	S	*	.	S	Bend	trans	-88.9	-23.5	176.6	-59.8	179.6	-172.9	155.6	0	112.3	D97	D97-K169 HydrophobicContact CB-CB 4.2Å; D97-K169 HydrophobicContact CB-CD 4.04Å; D97-K169 HydrophobicContact CB-CG 4.14Å; D97-K169 PolarHBondContact O-N 2.95Å; D97-K169 IonicContact OD1-NZ 3.75Å; D97-K169 WeakPolarHBondContact OD2-CD 3.37Å; D97-K169 WeakPolarHBondContact OD2-CE 3.15Å; D97-K169 IonicContact OD2-NZ 3.59Å; D97-K169 PolarHBondContact OD2-NZ 3.01Å
170	R	98.3	Very high	98	Very high	108 Å²	108	44.7 Å²	44.7	41%	0.408	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	121.8	179.2	-171	-176.4	-67.4	149.8	4	111.4	L90 I91 D97 S98 L99 V198	L90-R170 PolarHBondContact O-NH1 2.85Å; I91-R170 HydrophobicContact CD1-CB 4.28Å; I91-R170 HydrophobicContact CD1-CG 3.68Å; D97-R170 PolarHBondContact O-N 3.24Å; S98-R170 CarbonylContact C-O 3.58Å; S98-R170 WeakPolarHBondContact CA-O 3.44Å; L99-R170 PolarHBondContact N-O 3.15Å; R170-V198 CarbonylContact C-O 3.46Å; R170-V198 WeakPolarHBondContact CA-O 3.43Å
171	V	98.7	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.9	-178.4	-176.1	0	0	0	0	109.3	L99 V101 K168 V198 Y199 T200	L99-V171 CarbonylContact O-C 3.57Å; L99-V171 VanDerWaalsContact O-CA 3.31Å; L99-V171 WeakPolarHBondContact O-CA 3.45Å; V101-V171 HydrophobicContact CG2-CG1 3.89Å; K168-V171 HydrophobicContact CB-CG2 3.82Å; V171-V198 HydrophobicContact CB-CG1 4.46Å; V171-V198 HydrophobicContact CG2-CG1 3.87Å; V171-V198 PolarHBondContact N-O 3.42Å; V171-Y199 HydrophobicContact CB-CD1 3.54Å; V171-Y199 HydrophobicContact CB-CE1 3.71Å; V171-Y199 HydrophobicContact CB-CG 4.33Å; V171-Y199 HydrophobicContact CG1-CD1 3.67Å; V171-Y199 HydrophobicContact CG1-CE1 3.75Å; V171-Y199 HydrophobicContact CG2-CD1 4.14Å; V171-Y199 HydrophobicContact CG2-CE1 3.82Å; V171-Y199 CarbonylContact O-C 3.47Å; V171-Y199 WeakPolarHBondContact O-CA 3.42Å; V171-T200 PolarHBondContact O-N 2.98Å
172	L	98.8	Very high	97.8	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.8	163.8	-175	70.7	0	0	0	107.6	V84 R87 V88 I91 L99 V100 V101 V174 T200 V202	V84-L172 HydrophobicContact CG1-CD2 4.44Å; R87-L172 HydrophobicContact CB-CD1 3.88Å; R87-L172 HydrophobicContact CB-CD2 4.21Å; V88-L172 HydrophobicContact CB-CD2 4.4Å; V88-L172 HydrophobicContact CG2-CD2 3.37Å; I91-L172 HydrophobicContact CD1-CB 4.3Å; I91-L172 HydrophobicContact CG1-CB 4.14Å; L99-L172 PolarHBondContact O-N 3.36Å; V100-L172 CarbonylContact C-O 3.51Å; V100-L172 WeakPolarHBondContact CA-O 3.2Å; V100-L172 HydrophobicContact CG1-CB 4.5Å; V100-L172 HydrophobicContact CG1-CD2 4.39Å; V100-L172 HydrophobicContact CG2-CB 4.4Å; V101-L172 PolarHBondContact N-O 3.41Å; L172-V174 HydrophobicContact CG-CG2 4.43Å; L172-T200 HydrophobicContact CD1-CG2 3.8Å; L172-V202 HydrophobicContact CD1-CG2 3.7Å; L172-V202 HydrophobicContact CG-CG2 4.32Å
173	F	98.9	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.9	178	173.2	-103.6	0	0	0	109.8	V101 L161 Q188 L189 C192 T200 P201 V202	V101-F173 HydrophobicContact CB-CD2 4.16Å; V101-F173 HydrophobicContact CG1-CD2 4.11Å; V101-F173 HydrophobicContact CG1-CE2 4.41Å; L161-F173 HydrophobicContact CD1-CD2 3.55Å; L161-F173 HydrophobicContact CD1-CE2 4.06Å; L161-F173 HydrophobicContact CD1-CG 4.36Å; L161-F173 HydrophobicContact CD2-CD2 3.76Å; L161-F173 HydrophobicContact CD2-CE2 4.04Å; L161-F173 HydrophobicContact CD2-CG 4.03Å; L161-F173 HydrophobicContact CG-CD2 4.28Å; F173-Q188 HydrophobicContact CE1-CB 3.76Å; F173-Q188 HydrophobicContact CE2-CB 3.95Å; F173-Q188 HydrophobicContact CE2-CG 4.37Å; F173-Q188 HydrophobicContact CZ-CB 3.33Å; F173-Q188 HydrophobicContact CZ-CG 4.08Å; F173-Q188 VanDerWaalsContact CZ-OE1 3.31Å; F173-L189 HydrophobicContact CD1-CD2 3.88Å; F173-L189 HydrophobicContact CE1-CD2 3.62Å; F173-L189 HydrophobicContact CE1-CG 3.97Å; F173-C192 VanDerWaalsContact CB-SG 3.55Å; F173-C192 VanDerWaalsContact CD1-SG 3.57Å; F173-T200 PolarHBondContact N-O 3.02Å; F173-P201 CarbonylContact O-C 3.55Å; F173-V202 PolarHBondContact O-N 3.48Å
174	V	98.9	Very high	97.7	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	97.6	177.8	-172.5	0	0	0	0	109	V100 V101 L102 S103 L172 V202 V204 L268	V100-V174 HydrophobicContact CG1-CG2 4.4Å; V101-V174 PolarHBondContact O-N 3.1Å; L102-V174 HydrophobicContact CD2-CB 4.28Å; L102-V174 HydrophobicContact CD2-CG1 4.39Å; S103-V174 PolarHBondContact N-O 3.17Å; L172-V174 HydrophobicContact CG-CG2 4.43Å; V174-V202 CarbonylContact C-O 3.58Å; V174-V202 WeakPolarHBondContact CA-O 3.31Å; V174-V202 HydrophobicContact CB-CB 4.49Å; V174-V202 HydrophobicContact CG1-CB 4.41Å; V174-V202 HydrophobicContact CG1-CG1 4.35Å; V174-V202 HydrophobicContact CG2-CB 4.16Å; V174-V202 HydrophobicContact CG2-CG2 4.41Å; V174-V204 HydrophobicContact CG1-CG2 3.94Å; V174-L268 HydrophobicContact CG1-CD2 3.71Å
175	G	98.8	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.5	176.2	0	0	0	0	0	111.5	V202 L203 V204	G175-V202 PolarHBondContact N-O 3.32Å; G175-L203 WeakPolarHBondContact O-CA 3.41Å; G175-L203 WeakPolarHBondContact O-CD1 3.5Å; G175-V204 PolarHBondContact O-N 3.43Å
176	V	98.8	Very high	97.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	-179	-173.8	0	0	0	0	110	S103 S108 V204 T264 L268	S103-V176 PolarHBondContact O-N 2.8Å; S108-V176 WeakPolarHBondContact OG-CG1 3.26Å; V176-V204 WeakPolarHBondContact CA-O 3.33Å; V176-V204 HydrophobicContact CG1-CB 4.35Å; V176-V204 HydrophobicContact CG2-CB 4.2Å; V176-V204 HydrophobicContact CG2-CG2 4.47Å; V176-T264 HydrophobicContact CG1-CG2 3.61Å; V176-T264 HydrophobicContact CG2-CG2 4.18Å; V176-L268 HydrophobicContact CG2-CD1 4.49Å
177	S	98.4	Very high	97.8	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.042	12%	0.115	C	C	.	.			trans	-145.3	94.7	174	166.5	0	0	0	0	109.1	G179 L180 S181 A182 V204 G205	S177-G179 PolarHBondContact O-N 2.79Å; S177-G179 VanDerWaalsContact O-N 3.1Å; S177-L180 PolarHBondContact O-N 3.25Å; S177-L180 WeakPolarHBondContact OG-CA 3.31Å; S177-L180 PolarHBondContact OG-N 2.93Å; S177-S181 PolarHBondContact OG-N 3.21Å; S177-S181 VanDerWaalsContact OG-N 3.08Å; S177-A182 PolarHBondContact OG-N 3.29Å; S177-V204 PolarHBondContact N-O 3.48Å; S177-G205 WeakPolarHBondContact O-CA 3.4Å
178	C	97.1	Very high	97.9	Very high	7 Å²	7	17.1 Å²	17.1	5%	0.047	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-45	-176.5	-64.2	0	0	0	0	113.1	F206	C178-F206 HydrophobicContact CB-CD2 3.81Å; C178-F206 HydrophobicContact CB-CE2 4.18Å; C178-F206 PolarHBondContact O-N 2.97Å
179	G	96.3	Very high	97.9	Very high	13 Å²	13	14.4 Å²	14.4	13%	0.134	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.8	-178.7	0	0	0	0	0	115.8	S177 S181 N207	S177-G179 PolarHBondContact O-N 2.79Å; S177-G179 VanDerWaalsContact O-N 3.1Å; G179-S181 VanDerWaalsContact C-N 3.32Å; G179-S181 PolarHBondContact O-N 3.36Å; G179-N207 VanDerWaalsContact C-ND2 3.31Å; G179-N207 WeakPolarHBondContact CA-ND2 3.46Å; G179-N207 PolarHBondContact O-ND2 3.01Å
180	L	97.6	Very high	98	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	49	50.8	-171	-55.8	-172.9	0	0	0	112.7	S177 L203 N207 A212 R213 F224	S177-L180 PolarHBondContact O-N 3.25Å; S177-L180 WeakPolarHBondContact OG-CA 3.31Å; S177-L180 PolarHBondContact OG-N 2.93Å; L180-L203 HydrophobicContact CD2-CD1 3.88Å; L180-L203 HydrophobicContact CD2-CD2 3.9Å; L180-L203 HydrophobicContact CD2-CG 4Å; L180-N207 HydrophobicContact CD1-CB 4.01Å; L180-N207 VanDerWaalsContact CD1-O 3.25Å; L180-N207 WeakPolarHBondContact CD1-O 3.39Å; L180-N207 HydrophobicContact CG-CB 4.15Å; L180-A212 HydrophobicContact CB-CB 3.82Å; L180-A212 HydrophobicContact CD1-CB 4.17Å; L180-R213 PolarHBondContact O-N 3.13Å; L180-F224 VanDerWaalsContact C-CD1 3.43Å; L180-F224 HydrophobicContact CB-CD1 3.99Å; L180-F224 HydrophobicContact CB-CE1 3.74Å; L180-F224 HydrophobicContact CB-CZ 4.43Å; L180-F224 HydrophobicContact CD2-CE1 4.03Å; L180-F224 HydrophobicContact CD2-CZ 4.45Å; L180-F224 HydrophobicContact CG-CE1 4.48Å; L180-F224 WeakPolarHBondContact O-CD1 3.23Å; L180-F224 VanDerWaalsContact O-CG 3.22Å; L180-F224 WeakPolarHBondContact O-CG 3.34Å
181	S	95.5	Very high	98	Very high	18 Å²	18	4.8 Å²	4.8	13%	0.126	3%	0.031	C	C	.	.			trans	-141.7	-15.4	-167	60.6	0	0	0	0	115.9	S177 G179 P183 R213 F224	S177-S181 PolarHBondContact OG-N 3.21Å; S177-S181 VanDerWaalsContact OG-N 3.08Å; G179-S181 VanDerWaalsContact C-N 3.32Å; G179-S181 PolarHBondContact O-N 3.36Å; S181-P183 WeakPolarHBondContact O-CD 3.44Å; S181-R213 WeakPolarHBondContact O-CD 3.3Å; S181-R213 PolarHBondContact O-NH1 2.79Å; S181-F224 VanDerWaalsContact C-CD2 3.49Å
182	A	95.9	Very high	98	Very high	3 Å²	3	4.8 Å²	4.8	3%	0.025	3%	0.031	C	C	.	.			trans	-76.2	111.7	-173.9	0	0	0	0	0	112.6	E151 S177 F184 V185 A186 F224	E151-A182 HydrophobicContact CG-CB 3.89Å; S177-A182 PolarHBondContact OG-N 3.29Å; A182-F184 VanDerWaalsContact C-N 3.31Å; A182-F184 PolarHBondContact O-N 3.25Å; A182-V185 HydrophobicContact CB-CB 4.4Å; A182-V185 HydrophobicContact CB-CG2 4.24Å; A182-V185 PolarHBondContact O-N 3.05Å; A182-V185 VanDerWaalsContact O-N 3.16Å; A182-A186 PolarHBondContact O-N 3.44Å; A182-A186 VanDerWaalsContact O-N 3.08Å; A182-F224 WeakPolarHBondContact O-CD2 3.46Å; A182-F224 VanDerWaalsContact O-CE2 3.27Å; A182-F224 WeakPolarHBondContact O-CE2 3.44Å
183	P	96.8	Very high	98	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-55.4	-40	179.6	-32.4	41.4	0	0	0	115	E151 D152 P154 S181 V185 A186 G187 I217	E151-P183 VanDerWaalsContact O-CD 3.24Å; E151-P183 WeakPolarHBondContact O-CD 3.34Å; D152-P183 WeakPolarHBondContact O-CB 3.47Å; P154-P183 WeakPolarHBondContact CA-O 3.34Å; P154-P183 HydrophobicContact CB-CB 4.49Å; P154-P183 WeakPolarHBondContact CB-O 3.42Å; S181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-V185 VanDerWaalsContact C-N 3.29Å; P183-V185 PolarHBondContact O-N 3.3Å; P183-A186 WeakPolarHBondContact O-CB 3.41Å; P183-A186 PolarHBondContact O-N 3.41Å; P183-A186 VanDerWaalsContact O-N 3.08Å; P183-G187 PolarHBondContact O-N 3.45Å; P183-I217 HydrophobicContact CB-CD1 3.89Å; P183-I217 HydrophobicContact CB-CG1 4.27Å; P183-I217 HydrophobicContact CB-CG2 3.74Å; P183-I217 HydrophobicContact CG-CD1 4.17Å; P183-I217 HydrophobicContact CG-CG1 4.13Å; P183-I217 HydrophobicContact CG-CG2 4.06Å
184	F	97.8	Very high	97.9	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.059	C	C	.	.	H	α-helix	trans	-52.4	-46	176.3	-175.6	-88.9	0	0	0	112.4	V135 A137 P150 E151 D153 L156 G157 C160 A182 Q188	V135-F184 HydrophobicContact CG1-CE1 3.88Å; V135-F184 HydrophobicContact CG1-CZ 3.7Å; A137-F184 HydrophobicContact CB-CB 4.45Å; A137-F184 HydrophobicContact CB-CD1 4.04Å; A137-F184 HydrophobicContact CB-CD2 3.83Å; A137-F184 HydrophobicContact CB-CE1 4.17Å; A137-F184 HydrophobicContact CB-CE2 3.96Å; A137-F184 HydrophobicContact CB-CG 3.86Å; A137-F184 HydrophobicContact CB-CZ 4.14Å; P150-F184 WeakPolarHBondContact O-CD2 3.29Å; E151-F184 WeakPolarHBondContact O-CB 3.23Å; E151-F184 PolarHBondContact O-N 3.11Å; D153-F184 WeakPolarHBondContact O-CA 3.37Å; L156-F184 HydrophobicContact CB-CE2 4.47Å; L156-F184 HydrophobicContact CD2-CE2 4.23Å; L156-F184 HydrophobicContact CG-CE2 4.01Å; G157-F184 VanDerWaalsContact CA-CE2 3.44Å; C160-F184 HydrophobicContact CB-CZ 4.39Å; A182-F184 VanDerWaalsContact C-N 3.31Å; A182-F184 PolarHBondContact O-N 3.25Å; F184-Q188 VanDerWaalsContact CE1-NE2 3.33Å; F184-Q188 WeakPolarHBondContact O-CG 3.14Å; F184-Q188 PolarHBondContact O-N 3.27Å
185	V	98.5	Very high	97.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-73.3	-37.7	177.8	179.1	0	0	0	0	111.1	A182 P183 G187 Q188 L189 F224	A182-V185 HydrophobicContact CB-CB 4.4Å; A182-V185 HydrophobicContact CB-CG2 4.24Å; A182-V185 PolarHBondContact O-N 3.05Å; A182-V185 VanDerWaalsContact O-N 3.16Å; P183-V185 VanDerWaalsContact C-N 3.29Å; P183-V185 PolarHBondContact O-N 3.3Å; V185-G187 VanDerWaalsContact C-N 3.32Å; V185-G187 PolarHBondContact O-N 2.84Å; V185-Q188 WeakPolarHBondContact O-CB 2.87Å; V185-Q188 PolarHBondContact O-N 3.46Å; V185-L189 HydrophobicContact CG1-CD1 4Å; V185-L189 HydrophobicContact CG1-CG 4.31Å; V185-L189 WeakPolarHBondContact O-CG 3.48Å; V185-L189 PolarHBondContact O-N 3.4Å; V185-F224 HydrophobicContact CB-CE2 4.44Å
186	A	98.4	Very high	97.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-42.5	176.1	0	0	0	0	0	112.1	A182 P183 Q188 L189 D190 I217 L222 F224	A182-A186 PolarHBondContact O-N 3.44Å; A182-A186 VanDerWaalsContact O-N 3.08Å; P183-A186 WeakPolarHBondContact O-CB 3.41Å; P183-A186 PolarHBondContact O-N 3.41Å; P183-A186 VanDerWaalsContact O-N 3.08Å; A186-Q188 VanDerWaalsContact C-N 3.35Å; A186-Q188 PolarHBondContact O-N 2.9Å; A186-L189 PolarHBondContact O-N 3.02Å; A186-D190 WeakPolarHBondContact O-CB 3.09Å; A186-D190 PolarHBondContact O-N 3.21Å; A186-I217 HydrophobicContact CB-CD1 4.14Å; A186-L222 HydrophobicContact CB-CD1 3.84Å; A186-F224 HydrophobicContact CB-CD2 3.66Å; A186-F224 HydrophobicContact CB-CE2 4.06Å; A186-F224 HydrophobicContact CB-CG 4.22Å
187	G	98.2	Very high	97.8	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-37.1	176.4	0	0	0	0	0	113.2	P154 P183 V185 F191	P154-G187 WeakPolarHBondContact O-CA 3.38Å; P183-G187 PolarHBondContact O-N 3.45Å; V185-G187 VanDerWaalsContact C-N 3.32Å; V185-G187 PolarHBondContact O-N 2.84Å; G187-F191 WeakPolarHBondContact O-CB 3.35Å; G187-F191 PolarHBondContact O-N 3.46Å
188	Q	98.8	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.8	-44	174.6	-69.4	173.9	-35.3	0	0	112.7	S103 G157 L161 F173 F184 V185 A186 F191 C192	S103-Q188 VanDerWaalsContact CB-OE1 3.29Å; S103-Q188 PolarHBondContact OG-NE2 3.19Å; S103-Q188 PolarHBondContact OG-OE1 2.92Å; G157-Q188 WeakPolarHBondContact O-CG 3.47Å; G157-Q188 PolarHBondContact O-NE2 3.47Å; L161-Q188 HydrophobicContact CB-CG 4.09Å; L161-Q188 HydrophobicContact CD2-CB 4.05Å; L161-Q188 HydrophobicContact CD2-CG 4.44Å; F173-Q188 HydrophobicContact CE1-CB 3.76Å; F173-Q188 HydrophobicContact CE2-CB 3.95Å; F173-Q188 HydrophobicContact CE2-CG 4.37Å; F173-Q188 HydrophobicContact CZ-CB 3.33Å; F173-Q188 HydrophobicContact CZ-CG 4.08Å; F173-Q188 VanDerWaalsContact CZ-OE1 3.31Å; F184-Q188 VanDerWaalsContact CE1-NE2 3.33Å; F184-Q188 WeakPolarHBondContact O-CG 3.14Å; F184-Q188 PolarHBondContact O-N 3.27Å; V185-Q188 WeakPolarHBondContact O-CB 2.87Å; V185-Q188 PolarHBondContact O-N 3.46Å; A186-Q188 VanDerWaalsContact C-N 3.35Å; A186-Q188 PolarHBondContact O-N 2.9Å; Q188-F191 WeakPolarHBondContact O-CB 3.11Å; Q188-F191 PolarHBondContact O-N 2.95Å; Q188-C192 PolarHBondContact O-N 2.87Å; Q188-C192 PolarHBondContact O-SG 2.92Å
189	L	98.8	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-46.3	176.4	-69.8	169.1	0	0	0	111	F173 V185 A186 F191 C192 L193 P201 L203 F224 V227 M231	F173-L189 HydrophobicContact CD1-CD2 3.88Å; F173-L189 HydrophobicContact CE1-CD2 3.62Å; F173-L189 HydrophobicContact CE1-CG 3.97Å; V185-L189 HydrophobicContact CG1-CD1 4Å; V185-L189 HydrophobicContact CG1-CG 4.31Å; V185-L189 WeakPolarHBondContact O-CG 3.48Å; V185-L189 PolarHBondContact O-N 3.4Å; A186-L189 PolarHBondContact O-N 3.02Å; L189-F191 VanDerWaalsContact C-N 3.28Å; L189-F191 PolarHBondContact O-N 2.67Å; L189-C192 WeakPolarHBondContact O-CB 3.49Å; L189-C192 PolarHBondContact O-N 3.26Å; L189-C192 VanDerWaalsContact O-N 3.14Å; L189-L193 VanDerWaalsContact O-CG 3.22Å; L189-L193 WeakPolarHBondContact O-CG 3.48Å; L189-L193 PolarHBondContact O-N 3.38Å; L189-P201 HydrophobicContact CD2-CB 3.95Å; L189-L203 HydrophobicContact CD1-CB 4.27Å; L189-L203 HydrophobicContact CD1-CD1 4.01Å; L189-L203 HydrophobicContact CD1-CD2 4.09Å; L189-L203 HydrophobicContact CD1-CG 4.35Å; L189-L203 HydrophobicContact CD2-CB 4.41Å; L189-F224 HydrophobicContact CD1-CZ 4.47Å; L189-V227 HydrophobicContact CB-CG1 3.55Å; L189-V227 HydrophobicContact CD1-CG1 4.22Å; L189-M231 HydrophobicContact CB-SD 4.35Å; L189-M231 HydrophobicContact CD1-SD 3.91Å; L189-M231 HydrophobicContact CD2-CE 3.95Å; L189-M231 HydrophobicContact CD2-SD 3.75Å; L189-M231 HydrophobicContact CG-SD 4.22Å
190	D	98.4	Very high	97.9	Very high	20 Å²	20	29.8 Å²	29.8	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-43.4	174.6	175.6	71.1	0	0	0	111.7	A186 C192 L193 R194 L222 V227 R230	A186-D190 WeakPolarHBondContact O-CB 3.09Å; A186-D190 PolarHBondContact O-N 3.21Å; D190-C192 PolarHBondContact O-N 3.29Å; D190-L193 PolarHBondContact O-N 3.33Å; D190-R194 PolarHBondContact O-N 2.7Å; D190-R194 IonicContact OD1-NE 2.84Å; D190-R194 IonicContact OD2-CZ 3.64Å; D190-R194 IonicContact OD2-NE 3.41Å; D190-R194 PolarHBondContact OD2-NE 3.01Å; D190-R194 IonicContact OD2-NH2 3.5Å; D190-R194 PolarHBondContact OD2-NH2 3.02Å; D190-L222 HydrophobicContact CB-CD2 4.14Å; D190-V227 HydrophobicContact CB-CG2 4.27Å; D190-R230 IonicContact OD1-CZ 2.86Å; D190-R230 IonicContact OD1-NH1 3.9Å; D190-R230 PolarHBondContact OD1-NH1 3.49Å; D190-R230 IonicContact OD1-NH2 3.37Å
191	F	98.5	Very high	98	Very high	21 Å²	21	30 Å²	30	9%	0.092	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-46.3	175.1	-179.3	-94.3	0	0	0	111.8	A158 L161 K162 G187 Q188 L189 L193 R194 H195 Y199	A158-F191 HydrophobicContact CB-CB 3.94Å; A158-F191 HydrophobicContact CB-CD2 4.3Å; A158-F191 HydrophobicContact CB-CG 4.28Å; L161-F191 HydrophobicContact CD2-CD1 3.98Å; L161-F191 HydrophobicContact CG-CD1 4.4Å; K162-F191 HydrophobicContact CB-CE1 4.32Å; K162-F191 HydrophobicContact CB-CE2 4.46Å; K162-F191 HydrophobicContact CB-CZ 3.94Å; K162-F191 HydrophobicContact CD-CE2 4.45Å; K162-F191 HydrophobicContact CD-CZ 4.29Å; K162-F191 HydrophobicContact CG-CZ 4.07Å; G187-F191 WeakPolarHBondContact O-CB 3.35Å; G187-F191 PolarHBondContact O-N 3.46Å; Q188-F191 WeakPolarHBondContact O-CB 3.11Å; Q188-F191 PolarHBondContact O-N 2.95Å; L189-F191 VanDerWaalsContact C-N 3.28Å; L189-F191 PolarHBondContact O-N 2.67Å; F191-L193 VanDerWaalsContact C-N 3.34Å; F191-L193 PolarHBondContact O-N 2.97Å; F191-R194 PolarHBondContact O-N 2.88Å; F191-H195 AromaticContact CD2-CE1 3.7Å; F191-H195 AromaticContact CD2-ND1 3.88Å; F191-H195 AromaticContact CE2-CE1 3.42Å; F191-H195 VanDerWaalsContact CE2-CE1 3.42Å; F191-H195 WeakPolarHBondContact CE2-CE1 3.24Å; F191-H195 AromaticContact CE2-ND1 3.77Å; F191-H195 AromaticContact CZ-CE1 3.91Å; F191-H195 AromaticContact CZ-ND1 3.91Å; F191-H195 PolarHBondContact O-N 3.42Å; F191-H195 PolarHBondContact O-ND1 2.96Å; F191-Y199 HydrophobicContact CD1-CE2 4.38Å; F191-Y199 HydrophobicContact CE1-CD2 4.4Å; F191-Y199 HydrophobicContact CE1-CE1 4.28Å; F191-Y199 AromaticContact CE1-CE2 3.65Å; F191-Y199 HydrophobicContact CE1-CE2 3.65Å; F191-Y199 AromaticContact CE1-CZ 3.6Å; F191-Y199 HydrophobicContact CZ-CE2 4.43Å
192	C	98.8	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-46	175.3	-65.5	0	0	0	0	111.8	L161 F173 Q188 L189 D190 R194 H195 Y199 P201	L161-C192 WeakPolarHBondContact CD2-SG 3.26Å; F173-C192 VanDerWaalsContact CB-SG 3.55Å; F173-C192 VanDerWaalsContact CD1-SG 3.57Å; Q188-C192 PolarHBondContact O-N 2.87Å; Q188-C192 PolarHBondContact O-SG 2.92Å; L189-C192 WeakPolarHBondContact O-CB 3.49Å; L189-C192 PolarHBondContact O-N 3.26Å; L189-C192 VanDerWaalsContact O-N 3.14Å; D190-C192 PolarHBondContact O-N 3.29Å; C192-R194 PolarHBondContact O-N 2.71Å; C192-H195 CarbonylContact O-C 3.59Å; C192-H195 VanDerWaalsContact O-C 3.3Å; C192-H195 PolarHBondContact O-N 2.97Å; C192-Y199 HydrophobicContact CB-CG 4.3Å; C192-P201 HydrophobicContact CB-CB 3.77Å; C192-P201 HydrophobicContact CB-CG 4.09Å
193	L	98.3	Very high	98.3	Very high	19 Å²	19	29 Å²	29	10%	0.099	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-24	-177.8	-68.4	173.3	0	0	0	113.5	L189 D190 F191 P201 V227 R230 M231 L234	L189-L193 VanDerWaalsContact O-CG 3.22Å; L189-L193 WeakPolarHBondContact O-CG 3.48Å; L189-L193 PolarHBondContact O-N 3.38Å; D190-L193 PolarHBondContact O-N 3.33Å; F191-L193 VanDerWaalsContact C-N 3.34Å; F191-L193 PolarHBondContact O-N 2.97Å; L193-P201 HydrophobicContact CD2-CG 3.87Å; L193-P201 HydrophobicContact CG-CG 4.4Å; L193-V227 HydrophobicContact CD1-CG1 4.02Å; L193-R230 VanDerWaalsContact CB-NH2 3.35Å; L193-R230 HydrophobicContact CD1-CB 4.08Å; L193-M231 HydrophobicContact CD1-CG 3.96Å; L193-M231 HydrophobicContact CD2-CG 4.18Å; L193-M231 HydrophobicContact CG-CG 4.49Å; L193-L234 HydrophobicContact CD2-CD1 3.34Å
194	R	97.6	Very high	98.4	Very high	133 Å²	133	29 Å²	29	50%	0.502	15%	0.148	S	C	.	.	H	α-helix	trans	-84.5	-11.9	173.5	-73.6	-173.7	-73.2	120.5	-4.9	113.8	D190 F191 C192 P196	D190-R194 PolarHBondContact O-N 2.7Å; D190-R194 IonicContact OD1-NE 2.84Å; D190-R194 IonicContact OD2-CZ 3.64Å; D190-R194 IonicContact OD2-NE 3.41Å; D190-R194 PolarHBondContact OD2-NE 3.01Å; D190-R194 IonicContact OD2-NH2 3.5Å; D190-R194 PolarHBondContact OD2-NH2 3.02Å; F191-R194 PolarHBondContact O-N 2.88Å; C192-R194 PolarHBondContact O-N 2.71Å; R194-P196 VanDerWaalsContact C-CD 3.42Å
195	H	98.4	Very high	98.4	Very high	72 Å²	72	28.9 Å²	28.9	33%	0.333	15%	0.148	S	C	.	.			trans	-130.6	57.4	-177.6	-54.5	91.7	0	0	0	111.1	F191 C192 D197 V198 Y199	F191-H195 AromaticContact CD2-CE1 3.7Å; F191-H195 AromaticContact CD2-ND1 3.88Å; F191-H195 AromaticContact CE2-CE1 3.42Å; F191-H195 VanDerWaalsContact CE2-CE1 3.42Å; F191-H195 WeakPolarHBondContact CE2-CE1 3.24Å; F191-H195 AromaticContact CE2-ND1 3.77Å; F191-H195 AromaticContact CZ-CE1 3.91Å; F191-H195 AromaticContact CZ-ND1 3.91Å; F191-H195 PolarHBondContact O-N 3.42Å; F191-H195 PolarHBondContact O-ND1 2.96Å; C192-H195 CarbonylContact O-C 3.59Å; C192-H195 VanDerWaalsContact O-C 3.3Å; C192-H195 PolarHBondContact O-N 2.97Å; H195-D197 PolarHBondContact O-N 3.24Å; H195-D197 VanDerWaalsContact O-N 3.13Å; H195-V198 PolarHBondContact O-N 3.22Å; H195-Y199 HydrophobicContact CB-CD2 3.71Å; H195-Y199 HydrophobicContact CB-CE2 4.06Å; H195-Y199 WeakPolarHBondContact O-CD2 3.19Å; H195-Y199 PolarHBondContact O-N 3Å
196	P	97.6	Very high	98.4	Very high	88 Å²	88	29.3 Å²	29.3	57%	0.571	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.7	-172.2	29.5	-37.5	0	0	0	114	R194 V198	R194-P196 VanDerWaalsContact C-CD 3.42Å; P196-V198 PolarHBondContact O-N 3.42Å
197	D	97.3	Very high	98.3	Very high	157 Å²	157	29.3 Å²	29.3	84%	0.84	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.9	178.4	-58.8	-38.6	0	0	0	112.7	H195	H195-D197 PolarHBondContact O-N 3.24Å; H195-D197 VanDerWaalsContact O-N 3.13Å
198	V	98.1	Very high	98.2	Very high	44 Å²	44	30 Å²	30	27%	0.267	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-41.7	-179.5	177.6	0	0	0	0	111	R170 V171 H195 P196	R170-V198 CarbonylContact C-O 3.46Å; R170-V198 WeakPolarHBondContact CA-O 3.43Å; V171-V198 HydrophobicContact CB-CG1 4.46Å; V171-V198 HydrophobicContact CG2-CG1 3.87Å; V171-V198 PolarHBondContact N-O 3.42Å; H195-V198 PolarHBondContact O-N 3.22Å; P196-V198 PolarHBondContact O-N 3.42Å
199	Y	98.7	Very high	98	Very high	20 Å²	20	30.3 Å²	30.3	8%	0.078	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.8	-167.8	-60.9	-91.9	0	0	0	112.9	L161 S165 V171 F191 C192 H195	L161-Y199 HydrophobicContact CD1-CE1 4.26Å; L161-Y199 HydrophobicContact CD2-CD1 4.46Å; L161-Y199 HydrophobicContact CD2-CE1 4.35Å; L161-Y199 HydrophobicContact CG-CE1 4.2Å; S165-Y199 WeakPolarHBondContact OG-CE1 3.38Å; S165-Y199 PolarHBondContact OG-OH 3.47Å; V171-Y199 HydrophobicContact CB-CD1 3.54Å; V171-Y199 HydrophobicContact CB-CE1 3.71Å; V171-Y199 HydrophobicContact CB-CG 4.33Å; V171-Y199 HydrophobicContact CG1-CD1 3.67Å; V171-Y199 HydrophobicContact CG1-CE1 3.75Å; V171-Y199 HydrophobicContact CG2-CD1 4.14Å; V171-Y199 HydrophobicContact CG2-CE1 3.82Å; V171-Y199 CarbonylContact O-C 3.47Å; V171-Y199 WeakPolarHBondContact O-CA 3.42Å; F191-Y199 HydrophobicContact CD1-CE2 4.38Å; F191-Y199 HydrophobicContact CE1-CD2 4.4Å; F191-Y199 HydrophobicContact CE1-CE1 4.28Å; F191-Y199 AromaticContact CE1-CE2 3.65Å; F191-Y199 HydrophobicContact CE1-CE2 3.65Å; F191-Y199 AromaticContact CE1-CZ 3.6Å; F191-Y199 HydrophobicContact CZ-CE2 4.43Å; C192-Y199 HydrophobicContact CB-CG 4.3Å; H195-Y199 HydrophobicContact CB-CD2 3.71Å; H195-Y199 HydrophobicContact CB-CE2 4.06Å; H195-Y199 WeakPolarHBondContact O-CD2 3.19Å; H195-Y199 PolarHBondContact O-N 3Å
200	T	98.7	Very high	97.8	Very high	26 Å²	26	35.6 Å²	35.6	16%	0.16	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	108.2	164	-58.6	0	0	0	0	108.5	V171 L172 F173 F241	V171-T200 PolarHBondContact O-N 2.98Å; L172-T200 HydrophobicContact CD1-CG2 3.8Å; F173-T200 PolarHBondContact N-O 3.02Å; T200-F241 HydrophobicContact CG2-CD2 4.07Å; T200-F241 HydrophobicContact CG2-CE2 3.69Å
201	P	98.8	Very high	97.7	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.8	-178.9	30	-31.3	0	0	0	112.8	F173 L189 C192 L193 M231 A240 F241	F173-P201 CarbonylContact O-C 3.55Å; L189-P201 HydrophobicContact CD2-CB 3.95Å; C192-P201 HydrophobicContact CB-CB 3.77Å; C192-P201 HydrophobicContact CB-CG 4.09Å; L193-P201 HydrophobicContact CD2-CG 3.87Å; L193-P201 HydrophobicContact CG-CG 4.4Å; P201-M231 HydrophobicContact CB-CE 4.05Å; P201-M231 HydrophobicContact CG-CE 4.43Å; P201-A240 HydrophobicContact CG-CB 3.89Å; P201-A240 CarbonylContact O-C 3.36Å; P201-A240 WeakPolarHBondContact O-CA 3.23Å; P201-F241 PolarHBondContact O-N 3.28Å
202	V	98.9	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.2	170.5	-176.1	0	0	0	0	107.5	V84 L172 F173 V174 G175 F241 I243	V84-V202 HydrophobicContact CG1-CG1 4.39Å; V84-V202 HydrophobicContact CG1-CG2 4.08Å; V84-V202 HydrophobicContact CG2-CG1 4.18Å; V84-V202 HydrophobicContact CG2-CG2 4.12Å; L172-V202 HydrophobicContact CD1-CG2 3.7Å; L172-V202 HydrophobicContact CG-CG2 4.32Å; F173-V202 PolarHBondContact O-N 3.48Å; V174-V202 CarbonylContact C-O 3.58Å; V174-V202 WeakPolarHBondContact CA-O 3.31Å; V174-V202 HydrophobicContact CB-CB 4.49Å; V174-V202 HydrophobicContact CG1-CB 4.41Å; V174-V202 HydrophobicContact CG1-CG1 4.35Å; V174-V202 HydrophobicContact CG2-CB 4.16Å; V174-V202 HydrophobicContact CG2-CG2 4.41Å; G175-V202 PolarHBondContact N-O 3.32Å; V202-F241 CarbonylContact C-O 3.57Å; V202-F241 WeakPolarHBondContact CA-O 3.33Å; V202-F241 HydrophobicContact CB-CB 4.48Å; V202-F241 HydrophobicContact CG1-CB 4.22Å; V202-F241 HydrophobicContact CG2-CB 4.19Å; V202-F241 HydrophobicContact CG2-CD2 4.04Å; V202-I243 HydrophobicContact CG1-CD1 3.7Å; V202-I243 HydrophobicContact CG1-CG1 4.2Å
203	L	98.9	Very high	97.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.5	174.9	169.5	55.3	0	0	0	109.6	G175 L180 L189 F224 V228 M231 F241 I243	G175-L203 WeakPolarHBondContact O-CA 3.41Å; G175-L203 WeakPolarHBondContact O-CD1 3.5Å; L180-L203 HydrophobicContact CD2-CD1 3.88Å; L180-L203 HydrophobicContact CD2-CD2 3.9Å; L180-L203 HydrophobicContact CD2-CG 4Å; L189-L203 HydrophobicContact CD1-CB 4.27Å; L189-L203 HydrophobicContact CD1-CD1 4.01Å; L189-L203 HydrophobicContact CD1-CD2 4.09Å; L189-L203 HydrophobicContact CD1-CG 4.35Å; L189-L203 HydrophobicContact CD2-CB 4.41Å; L203-F224 HydrophobicContact CD1-CE1 4.46Å; L203-F224 HydrophobicContact CD1-CZ 4.16Å; L203-F224 HydrophobicContact CD2-CE1 4.06Å; L203-V228 HydrophobicContact CD2-CG2 3.68Å; L203-M231 HydrophobicContact CB-CE 3.58Å; L203-M231 HydrophobicContact CB-SD 3.9Å; L203-M231 HydrophobicContact CD2-SD 4.05Å; L203-F241 PolarHBondContact N-O 2.98Å; L203-I243 PolarHBondContact O-N 2.94Å
204	V	98.9	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.3	170.8	-174.5	0	0	0	0	109.3	V174 G175 V176 S177 F206 I243 L267 L268	V174-V204 HydrophobicContact CG1-CG2 3.94Å; G175-V204 PolarHBondContact O-N 3.43Å; V176-V204 WeakPolarHBondContact CA-O 3.33Å; V176-V204 HydrophobicContact CG1-CB 4.35Å; V176-V204 HydrophobicContact CG2-CB 4.2Å; V176-V204 HydrophobicContact CG2-CG2 4.47Å; S177-V204 PolarHBondContact N-O 3.48Å; V204-F206 HydrophobicContact CG1-CZ 4.09Å; V204-I243 WeakPolarHBondContact CA-O 3.32Å; V204-I243 HydrophobicContact CG2-CB 4.23Å; V204-I243 HydrophobicContact CG2-CD1 4.23Å; V204-L267 HydrophobicContact CG1-CD1 4.31Å; V204-L268 HydrophobicContact CG2-CD2 4.27Å
205	G	98.5	Very high	96.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.			trans	-157.3	-176.2	176	0	0	0	0	0	111	S177 I243 N244	S177-G205 WeakPolarHBondContact O-CA 3.4Å; G205-I243 PolarHBondContact N-O 2.51Å; G205-N244 WeakPolarHBondContact O-CA 3.3Å
206	F	98	Very high	96.4	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.039	21%	0.214	C	C	.	.	S	Bend	trans	-137.1	16.6	-175.2	-53	-66.2	0	0	0	113.7	C178 V204 P245 L247 G260 A263 T264 L267	C178-F206 HydrophobicContact CB-CD2 3.81Å; C178-F206 HydrophobicContact CB-CE2 4.18Å; C178-F206 PolarHBondContact O-N 2.97Å; V204-F206 HydrophobicContact CG1-CZ 4.09Å; F206-P245 WeakPolarHBondContact CA-O 3.41Å; F206-P245 HydrophobicContact CD1-CG 4.2Å; F206-P245 WeakPolarHBondContact CD1-O 3.25Å; F206-P245 HydrophobicContact CE1-CG 4.33Å; F206-L247 HydrophobicContact CB-CD1 4.04Å; F206-L247 HydrophobicContact CB-CG 4.06Å; F206-L247 HydrophobicContact CD1-CD1 3.38Å; F206-L247 HydrophobicContact CD1-CD2 4.04Å; F206-L247 HydrophobicContact CD1-CG 3.57Å; F206-L247 HydrophobicContact CD2-CD1 4.08Å; F206-L247 HydrophobicContact CE1-CD1 3.85Å; F206-L247 HydrophobicContact CE1-CD2 4.47Å; F206-L247 HydrophobicContact CE1-CG 4.32Å; F206-L247 HydrophobicContact CE2-CD1 4.49Å; F206-L247 HydrophobicContact CG-CD1 3.52Å; F206-L247 HydrophobicContact CG-CG 3.91Å; F206-L247 HydrophobicContact CZ-CD1 4.39Å; F206-G260 VanDerWaalsContact CE2-CA 3.48Å; F206-G260 WeakPolarHBondContact CE2-O 3.47Å; F206-G260 VanDerWaalsContact CZ-O 3.31Å; F206-G260 WeakPolarHBondContact CZ-O 3.28Å; F206-A263 HydrophobicContact CD1-CB 4.3Å; F206-A263 HydrophobicContact CE1-CB 3.54Å; F206-A263 HydrophobicContact CZ-CB 3.71Å; F206-T264 WeakPolarHBondContact CE2-OG1 3.37Å; F206-T264 WeakPolarHBondContact CZ-OG1 3.21Å; F206-L267 HydrophobicContact CE1-CD1 3.76Å; F206-L267 HydrophobicContact CZ-CD1 4.28Å
207	N	97.1	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-106.2	146.7	168.2	-72.5	-30.7	0	0	0	109.6	V30 S31 G179 L180 Q211 N244	V30-N207 PolarHBondContact N-OD1 3.36Å; S31-N207 PolarHBondContact N-OD1 3.27Å; S31-N207 PolarHBondContact OG-ND2 2.89Å; S31-N207 PolarHBondContact OG-OD1 3.47Å; G179-N207 VanDerWaalsContact C-ND2 3.31Å; G179-N207 WeakPolarHBondContact CA-ND2 3.46Å; G179-N207 PolarHBondContact O-ND2 3.01Å; L180-N207 HydrophobicContact CD1-CB 4.01Å; L180-N207 VanDerWaalsContact CD1-O 3.25Å; L180-N207 WeakPolarHBondContact CD1-O 3.39Å; L180-N207 HydrophobicContact CG-CB 4.15Å; N207-Q211 HydrophobicContact CB-CB 4.25Å; N207-N244 PolarHBondContact O-ND2 3.34Å
208	P	94.9	Very high	95.2	Very high	18 Å²	18	33.7 Å²	33.7	12%	0.117	18%	0.178	C	C	.	.			trans	-51.7	146.1	160.7	-17.8	26.3	0	0	0	110.8	Y69 H210 Q211	Y69-P208 HydrophobicContact CD1-CG 3.71Å; Y69-P208 HydrophobicContact CE1-CG 3.46Å; Y69-P208 VanDerWaalsContact CE1-CG 3.46Å; P208-H210 VanDerWaalsContact C-N 3.29Å; P208-H210 VanDerWaalsContact CB-CE1 3.41Å; P208-H210 WeakPolarHBondContact CB-CE1 3.27Å; P208-H210 PolarHBondContact O-N 3.16Å; P208-Q211 HydrophobicContact CB-CG 4.24Å; P208-Q211 VanDerWaalsContact CD-OE1 3.31Å; P208-Q211 HydrophobicContact CG-CG 4.16Å; P208-Q211 WeakPolarHBondContact O-CA 3.46Å; P208-Q211 WeakPolarHBondContact O-CB 3.45Å; P208-Q211 PolarHBondContact O-N 3.36Å
209	A	95.4	Very high	94.4	Very high	5 Å²	5	36 Å²	36	4%	0.041	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-56.5	-40.8	-176.4	0	0	0	0	0	113.6	Q211 A212 V228 E232 L242	A209-Q211 PolarHBondContact O-N 3.4Å; A209-Q211 VanDerWaalsContact O-N 3.13Å; A209-A212 WeakPolarHBondContact O-CB 2.99Å; A209-A212 PolarHBondContact O-N 3.32Å; A209-V228 HydrophobicContact CB-CG1 3.5Å; A209-V228 VanDerWaalsContact CB-CG1 3.5Å; A209-E232 HydrophobicContact CB-CG 3.98Å; A209-E232 WeakPolarHBondContact CB-OE1 2.98Å; A209-E232 WeakPolarHBondContact CB-OE2 3.46Å; A209-L242 HydrophobicContact CB-CD2 4.43Å
210	H	94.8	Very high	93.7	Very high	112 Å²	112	36.9 Å²	36.9	52%	0.519	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-65	-15.3	177.8	70.2	-95.9	0	0	0	114.2	P208 K214	P208-H210 VanDerWaalsContact C-N 3.29Å; P208-H210 VanDerWaalsContact CB-CE1 3.41Å; P208-H210 WeakPolarHBondContact CB-CE1 3.27Å; P208-H210 PolarHBondContact O-N 3.16Å; H210-K214 VanDerWaalsContact O-CE 3.27Å; H210-K214 WeakPolarHBondContact O-CE 3.35Å; H210-K214 PolarHBondContact O-NZ 2.78Å
211	Q	95.5	Very high	93.1	Very high	39 Å²	39	42.9 Å²	42.9	18%	0.182	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-94.7	0.7	175.4	-60.8	-171.6	-10.6	0	0	113	P29 N207 P208 A209	P29-Q211 HydrophobicContact CB-CB 4.05Å; N207-Q211 HydrophobicContact CB-CB 4.25Å; P208-Q211 HydrophobicContact CB-CG 4.24Å; P208-Q211 VanDerWaalsContact CD-OE1 3.31Å; P208-Q211 HydrophobicContact CG-CG 4.16Å; P208-Q211 WeakPolarHBondContact O-CA 3.46Å; P208-Q211 WeakPolarHBondContact O-CB 3.45Å; P208-Q211 PolarHBondContact O-N 3.36Å; A209-Q211 PolarHBondContact O-N 3.4Å; A209-Q211 VanDerWaalsContact O-N 3.13Å
212	A	97.1	Very high	92.7	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	26%	0.26	C	S	.	.	S	Bend	trans	-58.6	150.2	171.5	0	0	0	0	0	111.2	L180 A209 K214 F224 H225 V228	L180-A212 HydrophobicContact CB-CB 3.82Å; L180-A212 HydrophobicContact CD1-CB 4.17Å; A209-A212 WeakPolarHBondContact O-CB 2.99Å; A209-A212 PolarHBondContact O-N 3.32Å; A212-K214 PolarHBondContact O-N 3.08Å; A212-F224 HydrophobicContact CB-CD1 4.18Å; A212-H225 HydrophobicContact CB-CB 4.18Å; A212-V228 HydrophobicContact CB-CB 4.23Å; A212-V228 HydrophobicContact CB-CG1 4.49Å; A212-V228 HydrophobicContact CB-CG2 3.93Å
213	R	94.9	Very high	92.5	Very high	17 Å²	17	44.9 Å²	44.9	6%	0.064	27%	0.268	C	S	.	.			trans	-55.9	120.1	-175.4	-176	-174.8	161.8	-179.8	-9.3	111.5	D152 L180 S181 E215 P216 F224 H225 S510	D152-R213 IonicContact OD1-NH1 2.7Å; L180-R213 PolarHBondContact O-N 3.13Å; S181-R213 WeakPolarHBondContact O-CD 3.3Å; S181-R213 PolarHBondContact O-NH1 2.79Å; R213-E215 HydrophobicContact CG-CB 4.38Å; R213-E215 WeakPolarHBondContact CG-OE2 2.94Å; R213-P216 PolarHBondContact NH2-O 3.17Å; R213-F224 HydrophobicContact CB-CB 3.98Å; R213-F224 PolarHBondContact O-N 2.91Å; R213-H225 WeakPolarHBondContact O-CB 3.44Å; R213-H225 PolarHBondContact O-N 3.41Å; R213-S510 PolarHBondContact NH1-OG 3.05Å
214	K	95.1	Very high	92.5	Very high	130 Å²	130	44.9 Å²	44.9	57%	0.565	27%	0.268	S	S	*	.			trans	-95.4	-18.1	-176.6	-67.6	179.9	-177.4	173.5	0	112.8	H210 A212 T223 H225	H210-K214 VanDerWaalsContact O-CE 3.27Å; H210-K214 WeakPolarHBondContact O-CE 3.35Å; H210-K214 PolarHBondContact O-NZ 2.78Å; A212-K214 PolarHBondContact O-N 3.08Å; K214-T223 WeakPolarHBondContact O-CG2 3.43Å; K214-H225 VanDerWaalsContact CE-CD2 3.41Å; K214-H225 WeakPolarHBondContact CE-CD2 3.16Å; K214-H225 HydrophobicContact CG-CB 3.89Å
215	E	89.6	Confident	92.4	Very high	82 Å²	82	47 Å²	47	38%	0.383	28%	0.278	S	S	.	.	S	Bend	trans	-65.3	140.2	179.5	-61.3	82.3	170.5	0	0	110.4	R213	R213-E215 HydrophobicContact CG-CB 4.38Å; R213-E215 WeakPolarHBondContact CG-OE2 2.94Å
216	P	88.4	Confident	92.4	Very high	97 Å²	97	49.1 Å²	49.1	63%	0.63	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-53.3	144.7	173.5	-26.2	35.2	0	0	0	112.5	R213	R213-P216 PolarHBondContact NH2-O 3.17Å
217	I	88.5	Confident	92.4	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.015	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-88.4	124.5	168.5	-61.1	173.2	0	0	0	106.9	P154 P183 A186 G219 C220 L222	P154-I217 HydrophobicContact CG-CG2 3.84Å; P183-I217 HydrophobicContact CB-CD1 3.89Å; P183-I217 HydrophobicContact CB-CG1 4.27Å; P183-I217 HydrophobicContact CB-CG2 3.74Å; P183-I217 HydrophobicContact CG-CD1 4.17Å; P183-I217 HydrophobicContact CG-CG1 4.13Å; P183-I217 HydrophobicContact CG-CG2 4.06Å; A186-I217 HydrophobicContact CB-CD1 4.14Å; I217-G219 PolarHBondContact O-N 2.68Å; I217-C220 HydrophobicContact CB-CB 4.1Å; I217-C220 HydrophobicContact CG2-CB 4.16Å; I217-C220 PolarHBondContact O-N 2.9Å; I217-C220 VanDerWaalsContact O-O 3.05Å; I217-L222 HydrophobicContact CD1-CD1 3.43Å; I217-L222 VanDerWaalsContact CD1-CD1 3.43Å; I217-L222 HydrophobicContact CD1-CG 4.27Å
218	P	80.9	Confident	92.4	Very high	99 Å²	99	48.7 Å²	48.7	64%	0.643	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	136.4	179.5	-28	35.6	0	0	0	112.3	C220	P218-C220 PolarHBondContact O-N 2.75Å
219	G	80.9	Confident	92.6	Very high	93 Å²	93	50.7 Å²	50.7	96%	0.959	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	9.6	-178.5	0	0	0	0	0	114.9	I217	I217-G219 PolarHBondContact O-N 2.68Å
220	C	82.9	Confident	92.7	Very high	38 Å²	38	55.1 Å²	55.1	26%	0.257	32%	0.318	S	S	.	.			trans	-136.1	147.7	-179.1	-152.5	0	0	0	0	112.3	P154 I217 P218 L222	P154-C220 HydrophobicContact CG-CB 4.24Å; I217-C220 HydrophobicContact CB-CB 4.1Å; I217-C220 HydrophobicContact CG2-CB 4.16Å; I217-C220 PolarHBondContact O-N 2.9Å; I217-C220 VanDerWaalsContact O-O 3.05Å; P218-C220 PolarHBondContact O-N 2.75Å; C220-L222 VanDerWaalsContact C-N 3.31Å; C220-L222 HydrophobicContact CB-CG 4.38Å; C220-L222 WeakPolarHBondContact SG-CD2 3.31Å; C220-L222 WeakPolarHBondContact SG-CG 3.37Å
221	T	86.2	Confident	92.9	Very high	153 Å²	153	49.8 Å²	49.8	94%	0.939	29%	0.294	S	S	*	.	S	Bend	trans	-84.2	-8.8	175	58.1	0	0	0	0	112.8
222	L	90.3	Very high	93	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	30%	0.303	C	S	.	.			trans	-92.9	145.8	-177.8	75.8	95.3	0	0	0	111.7	A186 D190 I217 C220 V227	A186-L222 HydrophobicContact CB-CD1 3.84Å; D190-L222 HydrophobicContact CB-CD2 4.14Å; I217-L222 HydrophobicContact CD1-CD1 3.43Å; I217-L222 VanDerWaalsContact CD1-CD1 3.43Å; I217-L222 HydrophobicContact CD1-CG 4.27Å; C220-L222 VanDerWaalsContact C-N 3.31Å; C220-L222 HydrophobicContact CB-CG 4.38Å; C220-L222 WeakPolarHBondContact SG-CD2 3.31Å; C220-L222 WeakPolarHBondContact SG-CG 3.37Å; L222-V227 HydrophobicContact CD1-CG2 3.82Å
223	T	96.1	Very high	93	Very high	27 Å²	27	57 Å²	57	17%	0.166	33%	0.327	C	S	.	.			trans	-108.8	156	164.7	68.7	0	0	0	0	108.5	K214 H225 S226 V227	K214-T223 WeakPolarHBondContact O-CG2 3.43Å; T223-H225 PolarHBondContact O-N 3.29Å; T223-S226 PolarHBondContact N-OG 2.97Å; T223-S226 PolarHBondContact O-N 3.23Å; T223-S226 VanDerWaalsContact O-N 3.12Å; T223-S226 PolarHBondContact O-OG 3.07Å; T223-S226 WeakPolarHBondContact OG1-CB 3.18Å; T223-S226 PolarHBondContact OG1-N 2.94Å; T223-S226 PolarHBondContact OG1-OG 3.24Å; T223-V227 PolarHBondContact O-N 3.41Å
224	F	97.4	Very high	93.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58.3	-42.4	175.4	-157.3	-67.8	0	0	0	110.2	L180 S181 A182 V185 A186 L189 L203 A212 R213 S226 V227 V228	L180-F224 VanDerWaalsContact C-CD1 3.43Å; L180-F224 HydrophobicContact CB-CD1 3.99Å; L180-F224 HydrophobicContact CB-CE1 3.74Å; L180-F224 HydrophobicContact CB-CZ 4.43Å; L180-F224 HydrophobicContact CD2-CE1 4.03Å; L180-F224 HydrophobicContact CD2-CZ 4.45Å; L180-F224 HydrophobicContact CG-CE1 4.48Å; L180-F224 WeakPolarHBondContact O-CD1 3.23Å; L180-F224 VanDerWaalsContact O-CG 3.22Å; L180-F224 WeakPolarHBondContact O-CG 3.34Å; S181-F224 VanDerWaalsContact C-CD2 3.49Å; A182-F224 WeakPolarHBondContact O-CD2 3.46Å; A182-F224 VanDerWaalsContact O-CE2 3.27Å; A182-F224 WeakPolarHBondContact O-CE2 3.44Å; V185-F224 HydrophobicContact CB-CE2 4.44Å; A186-F224 HydrophobicContact CB-CD2 3.66Å; A186-F224 HydrophobicContact CB-CE2 4.06Å; A186-F224 HydrophobicContact CB-CG 4.22Å; L189-F224 HydrophobicContact CD1-CZ 4.47Å; L203-F224 HydrophobicContact CD1-CE1 4.46Å; L203-F224 HydrophobicContact CD1-CZ 4.16Å; L203-F224 HydrophobicContact CD2-CE1 4.06Å; A212-F224 HydrophobicContact CB-CD1 4.18Å; R213-F224 HydrophobicContact CB-CB 3.98Å; R213-F224 PolarHBondContact O-N 2.91Å; F224-S226 PolarHBondContact O-N 3.48Å; F224-V227 WeakPolarHBondContact O-CB 3Å; F224-V227 PolarHBondContact O-N 3.21Å; F224-V227 VanDerWaalsContact O-N 3.15Å; F224-V228 HydrophobicContact CD1-CG2 3.49Å; F224-V228 VanDerWaalsContact CD1-CG2 3.49Å; F224-V228 HydrophobicContact CE1-CG2 3.48Å; F224-V228 VanDerWaalsContact CE1-CG2 3.48Å; F224-V228 WeakPolarHBondContact O-CG2 3.45Å; F224-V228 PolarHBondContact O-N 2.86Å
225	H	97.9	Very high	93.2	Very high	46 Å²	46	54.2 Å²	54.2	21%	0.213	33%	0.325	C	S	.	.	H	α-helix	trans	-54.4	-46.7	174.2	-177.9	-74.3	0	0	0	112.6	A212 R213 K214 T223 V227 V228 T229	A212-H225 HydrophobicContact CB-CB 4.18Å; R213-H225 WeakPolarHBondContact O-CB 3.44Å; R213-H225 PolarHBondContact O-N 3.41Å; K214-H225 VanDerWaalsContact CE-CD2 3.41Å; K214-H225 WeakPolarHBondContact CE-CD2 3.16Å; K214-H225 HydrophobicContact CG-CB 3.89Å; T223-H225 PolarHBondContact O-N 3.29Å; H225-V227 VanDerWaalsContact C-N 3.25Å; H225-V227 PolarHBondContact O-N 3.14Å; H225-V228 PolarHBondContact O-N 3.44Å; H225-T229 PolarHBondContact CE1-OG1 3.37Å; H225-T229 VanDerWaalsContact CE1-OG1 3.29Å; H225-T229 PolarHBondContact ND1-OG1 2.92Å; H225-T229 PolarHBondContact O-N 3.26Å; H225-T229 PolarHBondContact O-OG1 3.48Å
226	S	97.6	Very high	93.5	Very high	43 Å²	43	57.6 Å²	57.6	30%	0.301	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-34.9	179.7	71.7	0	0	0	0	112.9	T223 F224 R230	T223-S226 PolarHBondContact N-OG 2.97Å; T223-S226 PolarHBondContact O-N 3.23Å; T223-S226 VanDerWaalsContact O-N 3.12Å; T223-S226 PolarHBondContact O-OG 3.07Å; T223-S226 WeakPolarHBondContact OG1-CB 3.18Å; T223-S226 PolarHBondContact OG1-N 2.94Å; T223-S226 PolarHBondContact OG1-OG 3.24Å; F224-S226 PolarHBondContact O-N 3.48Å; S226-R230 WeakPolarHBondContact O-CG 3.43Å; S226-R230 PolarHBondContact O-N 2.96Å
227	V	98.1	Very high	93.8	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.4	-46	175.6	176.9	0	0	0	0	110.4	L189 D190 L193 L222 T223 F224 H225 T229 R230 M231	L189-V227 HydrophobicContact CB-CG1 3.55Å; L189-V227 HydrophobicContact CD1-CG1 4.22Å; D190-V227 HydrophobicContact CB-CG2 4.27Å; L193-V227 HydrophobicContact CD1-CG1 4.02Å; L222-V227 HydrophobicContact CD1-CG2 3.82Å; T223-V227 PolarHBondContact O-N 3.41Å; F224-V227 WeakPolarHBondContact O-CB 3Å; F224-V227 PolarHBondContact O-N 3.21Å; F224-V227 VanDerWaalsContact O-N 3.15Å; H225-V227 VanDerWaalsContact C-N 3.25Å; H225-V227 PolarHBondContact O-N 3.14Å; V227-T229 PolarHBondContact O-N 2.82Å; V227-R230 WeakPolarHBondContact O-CB 3.43Å; V227-R230 PolarHBondContact O-N 2.94Å; V227-M231 WeakPolarHBondContact O-CG 3.5Å; V227-M231 PolarHBondContact O-N 2.88Å
228	V	98.2	Very high	94.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-45.6	178	173.9	0	0	0	0	111.3	L203 A209 A212 F224 H225 R230 M231 E232 L242	L203-V228 HydrophobicContact CD2-CG2 3.68Å; A209-V228 HydrophobicContact CB-CG1 3.5Å; A209-V228 VanDerWaalsContact CB-CG1 3.5Å; A212-V228 HydrophobicContact CB-CB 4.23Å; A212-V228 HydrophobicContact CB-CG1 4.49Å; A212-V228 HydrophobicContact CB-CG2 3.93Å; F224-V228 HydrophobicContact CD1-CG2 3.49Å; F224-V228 VanDerWaalsContact CD1-CG2 3.49Å; F224-V228 HydrophobicContact CE1-CG2 3.48Å; F224-V228 VanDerWaalsContact CE1-CG2 3.48Å; F224-V228 WeakPolarHBondContact O-CG2 3.45Å; F224-V228 PolarHBondContact O-N 2.86Å; H225-V228 PolarHBondContact O-N 3.44Å; V228-R230 VanDerWaalsContact C-N 3.3Å; V228-R230 PolarHBondContact O-N 2.57Å; V228-M231 CarbonylContact O-C 3.59Å; V228-M231 WeakPolarHBondContact O-CA 3.4Å; V228-M231 WeakPolarHBondContact O-CB 3.43Å; V228-M231 PolarHBondContact O-N 3.45Å; V228-E232 HydrophobicContact CG1-CG 4.49Å; V228-E232 PolarHBondContact O-N 2.93Å; V228-L242 HydrophobicContact CG1-CD2 3.87Å
229	T	98.2	Very high	94.9	Very high	61 Å²	61	62.5 Å²	62.5	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-40	177.2	-57.5	0	0	0	0	112.1	H225 V227 M231 E232 E233	H225-T229 PolarHBondContact CE1-OG1 3.37Å; H225-T229 VanDerWaalsContact CE1-OG1 3.29Å; H225-T229 PolarHBondContact ND1-OG1 2.92Å; H225-T229 PolarHBondContact O-N 3.26Å; H225-T229 PolarHBondContact O-OG1 3.48Å; V227-T229 PolarHBondContact O-N 2.82Å; T229-M231 VanDerWaalsContact C-N 3.34Å; T229-E232 PolarHBondContact O-N 3.41Å; T229-E233 PolarHBondContact O-N 3.44Å
230	R	98	Very high	95.7	Very high	97 Å²	97	58 Å²	58	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-64.6	-39.5	173.9	-73.1	169.1	62.1	-160.2	-0.1	111.9	D190 L193 S226 V227 V228 L234	D190-R230 IonicContact OD1-CZ 2.86Å; D190-R230 IonicContact OD1-NH1 3.9Å; D190-R230 PolarHBondContact OD1-NH1 3.49Å; D190-R230 IonicContact OD1-NH2 3.37Å; L193-R230 VanDerWaalsContact CB-NH2 3.35Å; L193-R230 HydrophobicContact CD1-CB 4.08Å; S226-R230 WeakPolarHBondContact O-CG 3.43Å; S226-R230 PolarHBondContact O-N 2.96Å; V227-R230 WeakPolarHBondContact O-CB 3.43Å; V227-R230 PolarHBondContact O-N 2.94Å; V228-R230 VanDerWaalsContact C-N 3.3Å; V228-R230 PolarHBondContact O-N 2.57Å; R230-L234 WeakPolarHBondContact O-CG 3.14Å; R230-L234 PolarHBondContact O-N 2.89Å
231	M	98.4	Very high	96.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-40.1	175.8	-67	-174.9	69.9	0	0	112.1	L189 L193 P201 L203 V227 V228 T229 E233 L234 A235 A240 F241 L242	L189-M231 HydrophobicContact CB-SD 4.35Å; L189-M231 HydrophobicContact CD1-SD 3.91Å; L189-M231 HydrophobicContact CD2-CE 3.95Å; L189-M231 HydrophobicContact CD2-SD 3.75Å; L189-M231 HydrophobicContact CG-SD 4.22Å; L193-M231 HydrophobicContact CD1-CG 3.96Å; L193-M231 HydrophobicContact CD2-CG 4.18Å; L193-M231 HydrophobicContact CG-CG 4.49Å; P201-M231 HydrophobicContact CB-CE 4.05Å; P201-M231 HydrophobicContact CG-CE 4.43Å; L203-M231 HydrophobicContact CB-CE 3.58Å; L203-M231 HydrophobicContact CB-SD 3.9Å; L203-M231 HydrophobicContact CD2-SD 4.05Å; V227-M231 WeakPolarHBondContact O-CG 3.5Å; V227-M231 PolarHBondContact O-N 2.88Å; V228-M231 CarbonylContact O-C 3.59Å; V228-M231 WeakPolarHBondContact O-CA 3.4Å; V228-M231 WeakPolarHBondContact O-CB 3.43Å; V228-M231 PolarHBondContact O-N 3.45Å; T229-M231 VanDerWaalsContact C-N 3.34Å; M231-E233 VanDerWaalsContact C-N 3.31Å; M231-E233 PolarHBondContact O-N 3.47Å; M231-L234 CarbonylContact O-C 3.46Å; M231-L234 PolarHBondContact O-N 3.2Å; M231-A235 WeakPolarHBondContact O-CB 3.28Å; M231-A235 PolarHBondContact O-N 3.43Å; M231-A240 HydrophobicContact CB-CB 4.25Å; M231-A240 HydrophobicContact CE-CB 4.2Å; M231-A240 HydrophobicContact CG-CB 4.4Å; M231-F241 WeakPolarHBondContact CE-O 3.38Å; M231-L242 HydrophobicContact CB-CD1 3.68Å; M231-L242 HydrophobicContact CB-CG 4.37Å
232	E	97.4	Very high	97	Very high	82 Å²	82	50.3 Å²	50.3	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-58.8	-42.7	177.5	-75.9	-177.5	112.8	0	0	111.6	A209 V228 T229 A235 L242	A209-E232 HydrophobicContact CB-CG 3.98Å; A209-E232 WeakPolarHBondContact CB-OE1 2.98Å; A209-E232 WeakPolarHBondContact CB-OE2 3.46Å; V228-E232 HydrophobicContact CG1-CG 4.49Å; V228-E232 PolarHBondContact O-N 2.93Å; T229-E232 PolarHBondContact O-N 3.41Å; E232-A235 PolarHBondContact O-N 3.19Å; E232-L242 HydrophobicContact CG-CD1 4.32Å; E232-L242 HydrophobicContact CG-CD2 3.69Å
233	E	97.6	Very high	97.4	Very high	112 Å²	112	49.5 Å²	49.5	52%	0.523	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-42.6	176.5	-171.8	55.6	-142.3	0	0	111.6	T229 M231 A235 K236	T229-E233 PolarHBondContact O-N 3.44Å; M231-E233 VanDerWaalsContact C-N 3.31Å; M231-E233 PolarHBondContact O-N 3.47Å; E233-A235 VanDerWaalsContact C-N 3.32Å; E233-A235 PolarHBondContact O-N 3.01Å; E233-K236 WeakPolarHBondContact O-CB 3.34Å; E233-K236 PolarHBondContact O-N 3.48Å; E233-K236 IonicContact OE1-NZ 3.27Å; E233-K236 IonicContact OE2-NZ 3.72Å; E233-K236 PolarHBondContact OE2-NZ 3.33Å
234	L	97.6	Very high	97.5	Very high	51 Å²	51	49.1 Å²	49.1	27%	0.267	25%	0.245	S	C	.	.	H	α-helix	trans	-72.5	-24.1	178.9	-71.3	169.7	0	0	0	113.4	L193 R230 M231 K236 T237 Q238 K239 A240	L193-L234 HydrophobicContact CD2-CD1 3.34Å; R230-L234 WeakPolarHBondContact O-CG 3.14Å; R230-L234 PolarHBondContact O-N 2.89Å; M231-L234 CarbonylContact O-C 3.46Å; M231-L234 PolarHBondContact O-N 3.2Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 2.73Å; L234-T237 CarbonylContact O-C 3.52Å; L234-T237 PolarHBondContact O-N 3.01Å; L234-T237 VanDerWaalsContact O-N 3.15Å; L234-T237 PolarHBondContact O-OG1 3.35Å; L234-Q238 PolarHBondContact O-N 2.61Å; L234-K239 HydrophobicContact CB-CB 4.12Å; L234-K239 HydrophobicContact CD2-CB 4.04Å; L234-K239 HydrophobicContact CD2-CD 3.98Å; L234-K239 PolarHBondContact O-N 3.21Å; L234-A240 HydrophobicContact CB-CB 3.76Å
235	A	96.5	Very high	97.5	Very high	37 Å²	37	49.1 Å²	49.1	31%	0.306	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-33.4	174.8	0	0	0	0	0	112	M231 E232 E233 T237 Q238 A240 L242	M231-A235 WeakPolarHBondContact O-CB 3.28Å; M231-A235 PolarHBondContact O-N 3.43Å; E232-A235 PolarHBondContact O-N 3.19Å; E233-A235 VanDerWaalsContact C-N 3.32Å; E233-A235 PolarHBondContact O-N 3.01Å; A235-T237 PolarHBondContact O-N 3.29Å; A235-T237 VanDerWaalsContact O-N 3.13Å; A235-Q238 PolarHBondContact O-N 2.55Å; A235-A240 VanDerWaalsContact CA-O 3.25Å; A235-A240 WeakPolarHBondContact CA-O 3.42Å; A235-L242 HydrophobicContact CB-CD1 4Å
236	K	95.4	Very high	97.3	Very high	153 Å²	153	47.1 Å²	47.1	67%	0.665	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.2	174.2	-60.4	173.1	-175.7	168.4	0	113.2	E233 L234	E233-K236 WeakPolarHBondContact O-CB 3.34Å; E233-K236 PolarHBondContact O-N 3.48Å; E233-K236 IonicContact OE1-NZ 3.27Å; E233-K236 IonicContact OE2-NZ 3.72Å; E233-K236 PolarHBondContact OE2-NZ 3.33Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 2.73Å
237	T	95.6	Very high	97.3	Very high	85 Å²	85	45.2 Å²	45.2	52%	0.521	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	15.3	178.7	60.8	0	0	0	0	113	L234 A235 K239	L234-T237 CarbonylContact O-C 3.52Å; L234-T237 PolarHBondContact O-N 3.01Å; L234-T237 VanDerWaalsContact O-N 3.15Å; L234-T237 PolarHBondContact O-OG1 3.35Å; A235-T237 PolarHBondContact O-N 3.29Å; A235-T237 VanDerWaalsContact O-N 3.13Å; T237-K239 PolarHBondContact O-N 3.13Å
238	Q	94.9	Very high	97.1	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	33.5	179.7	-56.6	-176.8	-40.5	0	0	114.3	E83 R87 L234 A235 F241	E83-Q238 PolarHBondContact OE1-NE2 2.65Å; E83-Q238 PolarHBondContact OE2-NE2 3.16Å; R87-Q238 PolarHBondContact NH2-O 2.97Å; R87-Q238 VanDerWaalsContact NH2-O 3.14Å; L234-Q238 PolarHBondContact O-N 2.61Å; A235-Q238 PolarHBondContact O-N 2.55Å; Q238-F241 HydrophobicContact CB-CE1 4.35Å; Q238-F241 HydrophobicContact CB-CZ 4.29Å
239	K	96.8	Very high	97	Very high	132 Å²	132	45.5 Å²	45.5	57%	0.574	23%	0.225	S	C	*	.	S	Bend	trans	-96.7	-17.3	175.2	-68.4	-177.6	-178.6	-179.2	0	113.1	L234 T237	L234-K239 HydrophobicContact CB-CB 4.12Å; L234-K239 HydrophobicContact CD2-CB 4.04Å; L234-K239 HydrophobicContact CD2-CD 3.98Å; L234-K239 PolarHBondContact O-N 3.21Å; T237-K239 PolarHBondContact O-N 3.13Å
240	A	98.4	Very high	97	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-143.9	161.6	172.8	0	0	0	0	0	108.8	P201 M231 L234 A235	P201-A240 HydrophobicContact CG-CB 3.89Å; P201-A240 CarbonylContact O-C 3.36Å; P201-A240 WeakPolarHBondContact O-CA 3.23Å; M231-A240 HydrophobicContact CB-CB 4.25Å; M231-A240 HydrophobicContact CE-CB 4.2Å; M231-A240 HydrophobicContact CG-CB 4.4Å; L234-A240 HydrophobicContact CB-CB 3.76Å; A235-A240 VanDerWaalsContact CA-O 3.25Å; A235-A240 WeakPolarHBondContact CA-O 3.42Å
241	F	98.6	Very high	97	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.2	180	-57.1	-85.1	0	0	0	111.2	T80 E83 V84 R87 T200 P201 V202 L203 M231 Q238	T80-F241 HydrophobicContact CG2-CB 4.35Å; T80-F241 HydrophobicContact CG2-CD1 4.4Å; E83-F241 HydrophobicContact CB-CD1 4.25Å; E83-F241 HydrophobicContact CB-CE1 3.58Å; E83-F241 HydrophobicContact CB-CZ 4.22Å; E83-F241 HydrophobicContact CG-CE1 4.37Å; V84-F241 HydrophobicContact CG2-CB 3.75Å; V84-F241 HydrophobicContact CG2-CD1 4.01Å; V84-F241 HydrophobicContact CG2-CD2 4.08Å; V84-F241 HydrophobicContact CG2-CG 3.66Å; R87-F241 HydrophobicContact CG-CE2 3.94Å; R87-F241 HydrophobicContact CG-CZ 4.14Å; T200-F241 HydrophobicContact CG2-CD2 4.07Å; T200-F241 HydrophobicContact CG2-CE2 3.69Å; P201-F241 PolarHBondContact O-N 3.28Å; V202-F241 CarbonylContact C-O 3.57Å; V202-F241 WeakPolarHBondContact CA-O 3.33Å; V202-F241 HydrophobicContact CB-CB 4.48Å; V202-F241 HydrophobicContact CG1-CB 4.22Å; V202-F241 HydrophobicContact CG2-CB 4.19Å; V202-F241 HydrophobicContact CG2-CD2 4.04Å; L203-F241 PolarHBondContact N-O 2.98Å; M231-F241 WeakPolarHBondContact CE-O 3.38Å; Q238-F241 HydrophobicContact CB-CE1 4.35Å; Q238-F241 HydrophobicContact CB-CZ 4.29Å
242	L	98.3	Very high	96.9	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.089	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.2	171.4	-69.5	83.5	0	0	0	108.8	A209 V228 M231 E232 A235	A209-L242 HydrophobicContact CB-CD2 4.43Å; V228-L242 HydrophobicContact CG1-CD2 3.87Å; M231-L242 HydrophobicContact CB-CD1 3.68Å; M231-L242 HydrophobicContact CB-CG 4.37Å; E232-L242 HydrophobicContact CG-CD1 4.32Å; E232-L242 HydrophobicContact CG-CD2 3.69Å; A235-L242 HydrophobicContact CB-CD1 4Å
243	I	98.4	Very high	96.8	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	82.9	172.1	-58.9	173.5	0	0	0	105.8	M77 T80 L81 V84 V202 L203 V204 G205 P245 L267	M77-I243 HydrophobicContact SD-CB 4.38Å; M77-I243 HydrophobicContact SD-CG2 3.61Å; T80-I243 HydrophobicContact CG2-CG1 3.99Å; L81-I243 HydrophobicContact CD2-CD1 3.73Å; L81-I243 HydrophobicContact CD2-CG1 4.26Å; L81-I243 HydrophobicContact CD2-CG2 4.09Å; V84-I243 HydrophobicContact CG2-CD1 4.26Å; V202-I243 HydrophobicContact CG1-CD1 3.7Å; V202-I243 HydrophobicContact CG1-CG1 4.2Å; L203-I243 PolarHBondContact O-N 2.94Å; V204-I243 WeakPolarHBondContact CA-O 3.32Å; V204-I243 HydrophobicContact CG2-CB 4.23Å; V204-I243 HydrophobicContact CG2-CD1 4.23Å; G205-I243 PolarHBondContact N-O 2.51Å; I243-P245 VanDerWaalsContact C-CD 3.45Å; I243-L267 HydrophobicContact CG2-CB 4.4Å; I243-L267 HydrophobicContact CG2-CD1 3.69Å; I243-L267 HydrophobicContact CG2-CD2 3.89Å; I243-L267 HydrophobicContact CG2-CG 4.21Å
244	N	97.6	Very high	96.5	Very high	19 Å²	19	29.9 Å²	29.9	10%	0.102	15%	0.154	C	C	.	.			trans	-127.6	54.1	-173.7	66.4	-40.8	0	0	0	115.7	G205 N207 A246	G205-N244 WeakPolarHBondContact O-CA 3.3Å; N207-N244 PolarHBondContact O-ND2 3.34Å; N244-A246 PolarHBondContact O-N 3.24Å
245	P	96.9	Very high	96.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.			trans	-65	136.1	176.4	28.8	-30.4	0	0	0	110.6	Q70 L72 M77 F206 I243 L247 L267	Q70-P245 CarbonylContact O-C 3.57Å; Q70-P245 VanDerWaalsContact O-CA 3.28Å; Q70-P245 WeakPolarHBondContact O-CA 3.14Å; L72-P245 HydrophobicContact CB-CB 4.38Å; L72-P245 HydrophobicContact CD1-CB 4.47Å; L72-P245 HydrophobicContact CD1-CG 3.89Å; M77-P245 HydrophobicContact CE-CB 3.92Å; M77-P245 VanDerWaalsContact CE-CD 3.47Å; M77-P245 HydrophobicContact CE-CG 4.02Å; M77-P245 HydrophobicContact SD-CG 4.23Å; F206-P245 WeakPolarHBondContact CA-O 3.41Å; F206-P245 HydrophobicContact CD1-CG 4.2Å; F206-P245 WeakPolarHBondContact CD1-O 3.25Å; F206-P245 HydrophobicContact CE1-CG 4.33Å; I243-P245 VanDerWaalsContact C-CD 3.45Å; P245-L247 HydrophobicContact CG-CD2 4.34Å; P245-L247 PolarHBondContact O-N 3.04Å; P245-L267 HydrophobicContact CG-CD1 4.18Å
246	A	95.8	Very high	96.4	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	14%	0.14	C	C	.	.			trans	-73	120	170.1	0	0	0	0	0	109.3	W19 Y69 Q70 R71 N244	W19-A246 HydrophobicContact CH2-CB 4.48Å; Y69-A246 HydrophobicContact CD1-CB 3.97Å; Y69-A246 HydrophobicContact CG-CB 3.94Å; Q70-A246 PolarHBondContact O-N 3.38Å; R71-A246 VanDerWaalsContact CZ-O 3.3Å; R71-A246 PolarHBondContact NH1-O 3.01Å; N244-A246 PolarHBondContact O-N 3.24Å
247	L	95.6	Very high	96.4	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	11%	0.109	C	C	.	.			trans	-93.3	-13.7	179.1	-53.1	178.5	0	0	0	112.8	M60 L72 F206 P245 K259 A263	M60-L247 HydrophobicContact CB-CD2 4.38Å; M60-L247 HydrophobicContact CG-CB 4.33Å; M60-L247 HydrophobicContact CG-CD1 4.37Å; M60-L247 HydrophobicContact CG-CD2 4.23Å; M60-L247 HydrophobicContact SD-CD1 4.49Å; L72-L247 HydrophobicContact CB-CD2 4.48Å; F206-L247 HydrophobicContact CB-CD1 4.04Å; F206-L247 HydrophobicContact CB-CG 4.06Å; F206-L247 HydrophobicContact CD1-CD1 3.38Å; F206-L247 HydrophobicContact CD1-CD2 4.04Å; F206-L247 HydrophobicContact CD1-CG 3.57Å; F206-L247 HydrophobicContact CD2-CD1 4.08Å; F206-L247 HydrophobicContact CE1-CD1 3.85Å; F206-L247 HydrophobicContact CE1-CD2 4.47Å; F206-L247 HydrophobicContact CE1-CG 4.32Å; F206-L247 HydrophobicContact CE2-CD1 4.49Å; F206-L247 HydrophobicContact CG-CD1 3.52Å; F206-L247 HydrophobicContact CG-CG 3.91Å; F206-L247 HydrophobicContact CZ-CD1 4.39Å; P245-L247 HydrophobicContact CG-CD2 4.34Å; P245-L247 PolarHBondContact O-N 3.04Å; L247-K259 HydrophobicContact CD1-CB 4.28Å; L247-K259 WeakPolarHBondContact O-CE 3.36Å; L247-K259 PolarHBondContact O-NZ 2.65Å; L247-A263 HydrophobicContact CD1-CB 3.39Å; L247-A263 HydrophobicContact CD2-CB 3.92Å; L247-A263 HydrophobicContact CG-CB 4.28Å
248	G	94.8	Very high	96.5	Very high	6 Å²	6	16.7 Å²	16.7	6%	0.062	9%	0.085	C	C	.	.			trans	81.6	168.3	-163.3	0	0	0	0	0	112.8	W19 K259	W19-G248 VanDerWaalsContact CH2-CA 3.49Å; W19-G248 VanDerWaalsContact CZ2-CA 3.44Å; G248-K259 VanDerWaalsContact C-NZ 3.3Å; G248-K259 PolarHBondContact O-NZ 3.44Å
249	P	96.9	Very high	96.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.			trans	-65	157.7	-173.3	-16.4	28.4	0	0	0	112.9	W19 K33 S34 N35 K259	W19-P249 HydrophobicContact CB-CG 3.71Å; W19-P249 HydrophobicContact CD2-CG 4.19Å; W19-P249 HydrophobicContact CE3-CG 4.34Å; W19-P249 HydrophobicContact CG-CG 3.91Å; K33-P249 HydrophobicContact CB-CB 4Å; K33-P249 HydrophobicContact CB-CG 3.68Å; K33-P249 WeakPolarHBondContact O-CB 3.48Å; S34-P249 WeakPolarHBondContact O-CG 3.09Å; N35-P249 HydrophobicContact CB-CB 4.08Å; N35-P249 PolarHBondContact ND2-O 2.92Å; P249-K259 PolarHBondContact O-NZ 2.83Å
250	E	98.1	Very high	96.7	Very high	12 Å²	12	6.5 Å²	6.5	6%	0.056	4%	0.04	C	C	.	.			trans	-72.8	152.3	177.6	-67.2	-69	-175.3	0	0	112	N35 I252 M258 K259 G260	N35-E250 VanDerWaalsContact CB-O 3.23Å; N35-E250 WeakPolarHBondContact CB-O 3.3Å; E250-I252 WeakPolarHBondContact CB-O 3.49Å; E250-I252 PolarHBondContact O-N 2.75Å; E250-M258 WeakPolarHBondContact OE2-CB 3.27Å; E250-K259 PolarHBondContact OE1-N 2.94Å; E250-K259 WeakPolarHBondContact OE2-CB 3.42Å; E250-K259 VanDerWaalsContact OE2-CG 3.28Å; E250-K259 WeakPolarHBondContact OE2-CG 3.09Å; E250-K259 PolarHBondContact OE2-N 3.29Å; E250-G260 PolarHBondContact OE1-N 3.1Å
251	A	97.1	Very high	96.7	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.008	4%	0.04	C	C	.	.	S	Bend	trans	-57	-41.9	177.2	0	0	0	0	0	111.8	T38 L53 C56 M258 N500	T38-A251 VanDerWaalsContact CB-O 3.31Å; T38-A251 WeakPolarHBondContact CB-O 3.33Å; T38-A251 HydrophobicContact CG2-CB 4.01Å; T38-A251 PolarHBondContact OG1-O 3.34Å; L53-A251 HydrophobicContact CD2-CB 3.52Å; C56-A251 HydrophobicContact CB-CB 3.94Å; A251-M258 HydrophobicContact CB-CE 4.1Å; A251-M258 HydrophobicContact CB-SD 4.47Å; A251-N500 WeakPolarHBondContact O-CB 3.41Å
252	I	97.1	Very high	96.7	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	-107.7	118.7	164.4	-55.3	-55.7	0	0	0	107.4	I41 E250 G254 S255 T488 I492 V497 N500 M502	I41-I252 HydrophobicContact CD1-CD1 4.36Å; I41-I252 HydrophobicContact CG2-CD1 3.79Å; E250-I252 WeakPolarHBondContact CB-O 3.49Å; E250-I252 PolarHBondContact O-N 2.75Å; I252-G254 PolarHBondContact O-N 3.32Å; I252-S255 WeakPolarHBondContact O-CB 3.39Å; I252-S255 PolarHBondContact O-N 3.09Å; I252-T488 HydrophobicContact CD1-CG2 4.48Å; I252-T488 HydrophobicContact CG1-CG2 3.74Å; I252-I492 HydrophobicContact CD1-CD1 4.37Å; I252-V497 HydrophobicContact CD1-CG1 3.8Å; I252-V497 HydrophobicContact CD1-CG2 4.4Å; I252-N500 CarbonylContact C-O 3.6Å; I252-N500 WeakPolarHBondContact CA-O 3.46Å; I252-M502 HydrophobicContact CG2-CG 3.63Å
253	S	95.3	Very high	96.7	Very high	7 Å²	7	5.2 Å²	5.2	5%	0.049	3%	0.034	C	C	.	.	B	Isolated β-bridge	trans	-55.5	124.8	-169.6	-48.8	0	0	0	0	111.9	S34 S255 N500 M502	S34-S253 VanDerWaalsContact CA-OG 3.3Å; S34-S253 WeakPolarHBondContact CA-OG 3.42Å; S253-S255 VanDerWaalsContact C-N 3.3Å; S253-S255 PolarHBondContact O-N 3.15Å; S253-N500 PolarHBondContact N-O 2.85Å; S253-N500 PolarHBondContact OG-O 3.07Å; S253-M502 WeakPolarHBondContact O-CE 3.43Å
254	G	91.5	Very high	96.7	Very high	3 Å²	3	5.1 Å²	5.1	3%	0.031	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-0.6	-179.2	0	0	0	0	0	115.9	S31 I252 S256 M502 R515	S31-G254 WeakPolarHBondContact O-CA 3.38Å; S31-G254 PolarHBondContact O-N 2.62Å; I252-G254 PolarHBondContact O-N 3.32Å; G254-S256 PolarHBondContact O-N 2.83Å; G254-M502 VanDerWaalsContact C-CE 3.46Å; G254-R515 VanDerWaalsContact CA-CZ 3.49Å; G254-R515 VanDerWaalsContact CA-NH2 3.27Å; G254-R515 VanDerWaalsContact O-CZ 3.32Å; G254-R515 PolarHBondContact O-NH1 3.48Å; G254-R515 VanDerWaalsContact O-NH1 3.1Å; G254-R515 PolarHBondContact O-NH2 2.95Å
255	S	95.6	Very high	96.7	Very high	3 Å²	3	4.2 Å²	4.2	2%	0.021	3%	0.028	C	C	.	.			trans	-76.3	66.1	176.9	-170.1	0	0	0	0	111.3	I252 S253 R257 M258	I252-S255 WeakPolarHBondContact O-CB 3.39Å; I252-S255 PolarHBondContact O-N 3.09Å; S253-S255 VanDerWaalsContact C-N 3.3Å; S253-S255 PolarHBondContact O-N 3.15Å; S255-R257 PolarHBondContact O-N 2.91Å; S255-M258 WeakPolarHBondContact O-CB 3.43Å; S255-M258 PolarHBondContact O-N 3.46Å
256	S	95	Very high	96.8	Very high	38 Å²	38	4.2 Å²	4.2	27%	0.266	3%	0.028	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.2	-173.3	67	0	0	0	0	114.9	G254 M258 G260 G261	G254-S256 PolarHBondContact O-N 2.83Å; S256-M258 PolarHBondContact O-N 2.86Å; S256-G260 CarbonylContact O-C 3.59Å; S256-G260 WeakPolarHBondContact O-CA 3.3Å; S256-G261 PolarHBondContact O-N 2.95Å
257	R	96.2	Very high	96.9	Very high	4 Å²	4	4.1 Å²	4.1	2%	0.015	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.9	171.8	75.8	-174.3	-167.9	99	-1.7	113	T107 S255 D339 E342 K480 N484 S487 T488	T107-R257 HydrophobicContact CG2-CB 4Å; T107-R257 VanDerWaalsContact OG1-CB 3.28Å; T107-R257 WeakPolarHBondContact OG1-CB 3.4Å; S255-R257 PolarHBondContact O-N 2.91Å; R257-D339 IonicContact CZ-OD1 3.6Å; R257-D339 IonicContact NH1-OD1 3.74Å; R257-D339 PolarHBondContact NH1-OD1 3.47Å; R257-E342 HydrophobicContact CB-CG 4.1Å; R257-K480 PolarHBondContact O-NZ 3.5Å; R257-N484 PolarHBondContact NH1-ND2 3.3Å; R257-N484 PolarHBondContact O-OD1 3.47Å; R257-S487 PolarHBondContact NH1-OG 2.92Å; R257-S487 PolarHBondContact NH2-OG 3.39Å; R257-T488 PolarHBondContact NH2-OG1 3.43Å
258	M	97.9	Very high	96.9	Very high	4 Å²	4	4.1 Å²	4.1	2%	0.02	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-105.1	-176.1	-58.3	-178.9	77.5	0	0	110.7	L53 E250 A251 S255 S256 G260 G261 S262 K480 T488	L53-M258 HydrophobicContact CD2-CE 3.73Å; E250-M258 WeakPolarHBondContact OE2-CB 3.27Å; A251-M258 HydrophobicContact CB-CE 4.1Å; A251-M258 HydrophobicContact CB-SD 4.47Å; S255-M258 WeakPolarHBondContact O-CB 3.43Å; S255-M258 PolarHBondContact O-N 3.46Å; S256-M258 PolarHBondContact O-N 2.86Å; M258-G260 PolarHBondContact O-N 3.23Å; M258-G261 PolarHBondContact O-N 2.88Å; M258-S262 VanDerWaalsContact O-CB 3.28Å; M258-S262 WeakPolarHBondContact O-CB 3.21Å; M258-S262 PolarHBondContact O-N 3.17Å; M258-S262 PolarHBondContact O-OG 3.29Å; M258-S262 VanDerWaalsContact O-OG 3.07Å; M258-K480 PolarHBondContact O-NZ 2.99Å; M258-K480 VanDerWaalsContact O-NZ 3.12Å; M258-T488 HydrophobicContact CE-CG2 4.32Å; M258-T488 HydrophobicContact SD-CG2 4.46Å
259	K	98.1	Very high	96.9	Very high	1 Å²	1	3.8 Å²	3.8	0%	0.004	3%	0.025	C	C	.	.	H	α-helix	trans	-61.3	-43.8	-176.3	-64.2	165.7	62.7	-179.7	0	111.5	C56 M60 L247 G248 P249 E250 G261 S262 A263	C56-K259 HydrophobicContact CB-CD 4.33Å; C56-K259 VanDerWaalsContact O-CD 3.27Å; C56-K259 WeakPolarHBondContact O-CD 3.4Å; C56-K259 WeakPolarHBondContact O-CE 3.36Å; C56-K259 PolarHBondContact O-NZ 3.48Å; M60-K259 HydrophobicContact CG-CB 4.13Å; M60-K259 HydrophobicContact CG-CG 4.29Å; M60-K259 HydrophobicContact SD-CB 4Å; M60-K259 HydrophobicContact SD-CG 4.43Å; L247-K259 HydrophobicContact CD1-CB 4.28Å; L247-K259 WeakPolarHBondContact O-CE 3.36Å; L247-K259 PolarHBondContact O-NZ 2.65Å; G248-K259 VanDerWaalsContact C-NZ 3.3Å; G248-K259 PolarHBondContact O-NZ 3.44Å; P249-K259 PolarHBondContact O-NZ 2.83Å; E250-K259 PolarHBondContact OE1-N 2.94Å; E250-K259 WeakPolarHBondContact OE2-CB 3.42Å; E250-K259 VanDerWaalsContact OE2-CG 3.28Å; E250-K259 WeakPolarHBondContact OE2-CG 3.09Å; E250-K259 PolarHBondContact OE2-N 3.29Å; K259-G261 PolarHBondContact O-N 3.23Å; K259-S262 WeakPolarHBondContact O-CB 3.49Å; K259-S262 PolarHBondContact O-N 3.23Å; K259-A263 WeakPolarHBondContact O-CB 3.43Å; K259-A263 PolarHBondContact O-N 3.24Å
260	G	98.1	Very high	96.8	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.01	3%	0.025	C	C	.	.	H	α-helix	trans	-58	-49.1	177.7	0	0	0	0	0	112.6	F206 E250 S256 M258 T264	F206-G260 VanDerWaalsContact CE2-CA 3.48Å; F206-G260 WeakPolarHBondContact CE2-O 3.47Å; F206-G260 VanDerWaalsContact CZ-O 3.31Å; F206-G260 WeakPolarHBondContact CZ-O 3.28Å; E250-G260 PolarHBondContact OE1-N 3.1Å; S256-G260 CarbonylContact O-C 3.59Å; S256-G260 WeakPolarHBondContact O-CA 3.3Å; M258-G260 PolarHBondContact O-N 3.23Å; G260-T264 WeakPolarHBondContact O-CB 3.47Å; G260-T264 PolarHBondContact O-N 2.95Å; G260-T264 PolarHBondContact O-OG1 2.77Å
261	G	98.2	Very high	96.6	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.01	2%	0.023	C	C	.	.	H	α-helix	trans	-64.1	-40.5	175.5	0	0	0	0	0	112.8	L111 S256 M258 K259 T264 K265	L111-G261 VanDerWaalsContact CD1-O 3.26Å; L111-G261 WeakPolarHBondContact CD1-O 3.43Å; S256-G261 PolarHBondContact O-N 2.95Å; M258-G261 PolarHBondContact O-N 2.88Å; K259-G261 PolarHBondContact O-N 3.23Å; G261-T264 PolarHBondContact O-N 3.43Å; G261-K265 PolarHBondContact O-N 3.4Å
262	S	98.5	Very high	96.2	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-62.5	-48.7	177.2	-74.6	0	0	0	0	112	M258 K259 K265 I266 K480	M258-S262 VanDerWaalsContact O-CB 3.28Å; M258-S262 WeakPolarHBondContact O-CB 3.21Å; M258-S262 PolarHBondContact O-N 3.17Å; M258-S262 PolarHBondContact O-OG 3.29Å; M258-S262 VanDerWaalsContact O-OG 3.07Å; K259-S262 WeakPolarHBondContact O-CB 3.49Å; K259-S262 PolarHBondContact O-N 3.23Å; S262-K265 WeakPolarHBondContact O-CB 3.19Å; S262-K265 PolarHBondContact O-N 3.48Å; S262-I266 VanDerWaalsContact O-CG1 3.31Å; S262-I266 WeakPolarHBondContact O-CG1 3.47Å; S262-I266 PolarHBondContact O-N 2.85Å; S262-K480 PolarHBondContact OG-NZ 3.14Å
263	A	98.5	Very high	95.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-66.4	-38.8	176.3	0	0	0	0	0	112.3	M60 F206 L247 K259 K265 I266 L267	M60-A263 HydrophobicContact SD-CB 4.01Å; F206-A263 HydrophobicContact CD1-CB 4.3Å; F206-A263 HydrophobicContact CE1-CB 3.54Å; F206-A263 HydrophobicContact CZ-CB 3.71Å; L247-A263 HydrophobicContact CD1-CB 3.39Å; L247-A263 HydrophobicContact CD2-CB 3.92Å; L247-A263 HydrophobicContact CG-CB 4.28Å; K259-A263 WeakPolarHBondContact O-CB 3.43Å; K259-A263 PolarHBondContact O-N 3.24Å; A263-K265 VanDerWaalsContact C-N 3.31Å; A263-K265 PolarHBondContact O-N 3.4Å; A263-I266 PolarHBondContact O-N 3.45Å; A263-L267 WeakPolarHBondContact O-CB 3.35Å; A263-L267 WeakPolarHBondContact O-CD1 3.43Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 2.91Å
264	T	98.6	Very high	95.5	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-55.8	-48.9	173.4	-62.7	0	0	0	0	110.4	L111 V176 F206 G260 G261 L268	L111-T264 HydrophobicContact CD1-CG2 4.23Å; V176-T264 HydrophobicContact CG1-CG2 3.61Å; V176-T264 HydrophobicContact CG2-CG2 4.18Å; F206-T264 WeakPolarHBondContact CE2-OG1 3.37Å; F206-T264 WeakPolarHBondContact CZ-OG1 3.21Å; G260-T264 WeakPolarHBondContact O-CB 3.47Å; G260-T264 PolarHBondContact O-N 2.95Å; G260-T264 PolarHBondContact O-OG1 2.77Å; G261-T264 PolarHBondContact O-N 3.43Å; T264-L268 HydrophobicContact CG2-CD1 3.83Å; T264-L268 HydrophobicContact CG2-CG 4.43Å; T264-L268 WeakPolarHBondContact O-CB 3.41Å; T264-L268 VanDerWaalsContact O-CG 3.27Å; T264-L268 WeakPolarHBondContact O-CG 3.49Å; T264-L268 PolarHBondContact O-N 2.79Å; T264-L268 VanDerWaalsContact O-N 3.1Å
265	K	97.7	Very high	95.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-55.2	-60.6	174.6	-169.6	-169.8	-163.1	-66.8	0	109.2	M115 G261 S262 A263 L267 L268 E269 R473 E476 F477	M115-K265 HydrophobicContact SD-CG 4.46Å; G261-K265 PolarHBondContact O-N 3.4Å; S262-K265 WeakPolarHBondContact O-CB 3.19Å; S262-K265 PolarHBondContact O-N 3.48Å; A263-K265 VanDerWaalsContact C-N 3.31Å; A263-K265 PolarHBondContact O-N 3.4Å; K265-L267 VanDerWaalsContact C-N 3.33Å; K265-L267 PolarHBondContact O-N 2.85Å; K265-L268 PolarHBondContact O-N 3.26Å; K265-E269 HydrophobicContact CG-CG 4.09Å; K265-E269 IonicContact NZ-OE1 3.91Å; K265-E269 PolarHBondContact NZ-OE1 2.92Å; K265-E269 IonicContact NZ-OE2 2.61Å; K265-E269 PolarHBondContact NZ-OE2 3.36Å; K265-E269 VanDerWaalsContact O-CB 3.31Å; K265-E269 WeakPolarHBondContact O-CB 3.37Å; K265-E269 WeakPolarHBondContact O-CG 3.41Å; K265-E269 PolarHBondContact O-N 2.9Å; K265-R473 PolarHBondContact NZ-O 2.96Å; K265-R473 VanDerWaalsContact NZ-O 3.1Å; K265-E476 IonicContact NZ-OE2 3.99Å; K265-E476 PolarHBondContact NZ-OE2 3.12Å; K265-F477 HydrophobicContact CD-CB 4.36Å
266	I	97.4	Very high	94.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-49.3	-51.9	-178.2	-65.8	162.3	0	0	0	112.3	F61 S262 A263 E269 V270 Y293 F477	F61-I266 HydrophobicContact CE1-CD1 4.45Å; F61-I266 HydrophobicContact CZ-CD1 3.73Å; S262-I266 VanDerWaalsContact O-CG1 3.31Å; S262-I266 WeakPolarHBondContact O-CG1 3.47Å; S262-I266 PolarHBondContact O-N 2.85Å; A263-I266 PolarHBondContact O-N 3.45Å; I266-E269 PolarHBondContact O-N 3.19Å; I266-V270 HydrophobicContact CG2-CG2 4.3Å; I266-V270 WeakPolarHBondContact O-CB 3.47Å; I266-V270 WeakPolarHBondContact O-CG2 3.41Å; I266-V270 PolarHBondContact O-N 3.04Å; I266-Y293 HydrophobicContact CB-CD2 4.43Å; I266-Y293 HydrophobicContact CB-CG 4.4Å; I266-Y293 HydrophobicContact CD1-CG 4.36Å; I266-Y293 HydrophobicContact CG1-CD1 3.78Å; I266-Y293 HydrophobicContact CG1-CD2 4.24Å; I266-Y293 HydrophobicContact CG1-CE1 4.36Å; I266-Y293 HydrophobicContact CG1-CG 3.72Å; I266-Y293 HydrophobicContact CG2-CD2 3.73Å; I266-Y293 HydrophobicContact CG2-CE2 4.25Å; I266-Y293 HydrophobicContact CG2-CG 4.04Å; I266-F477 HydrophobicContact CD1-CD2 4.32Å; I266-F477 HydrophobicContact CD1-CE2 3.62Å; I266-F477 HydrophobicContact CD1-CZ 3.86Å; I266-F477 HydrophobicContact CG1-CD2 4.15Å; I266-F477 HydrophobicContact CG1-CE2 3.96Å; I266-F477 HydrophobicContact CG1-CZ 4.49Å
267	L	97.8	Very high	93.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-63.2	-49.8	-174.1	-71.9	163.6	0	0	0	112.2	L72 M77 L81 V204 F206 I243 P245 A263 K265 E269 V270 V271 M290	L72-L267 HydrophobicContact CD1-CD1 4.16Å; L72-L267 HydrophobicContact CD1-CD2 3.65Å; L72-L267 HydrophobicContact CD1-CG 3.95Å; M77-L267 HydrophobicContact SD-CD2 4.35Å; L81-L267 HydrophobicContact CD1-CD2 3.76Å; L81-L267 HydrophobicContact CD2-CB 4.48Å; L81-L267 HydrophobicContact CD2-CD2 3.87Å; L81-L267 HydrophobicContact CG-CD2 4.35Å; V204-L267 HydrophobicContact CG1-CD1 4.31Å; F206-L267 HydrophobicContact CE1-CD1 3.76Å; F206-L267 HydrophobicContact CZ-CD1 4.28Å; I243-L267 HydrophobicContact CG2-CB 4.4Å; I243-L267 HydrophobicContact CG2-CD1 3.69Å; I243-L267 HydrophobicContact CG2-CD2 3.89Å; I243-L267 HydrophobicContact CG2-CG 4.21Å; P245-L267 HydrophobicContact CG-CD1 4.18Å; A263-L267 WeakPolarHBondContact O-CB 3.35Å; A263-L267 WeakPolarHBondContact O-CD1 3.43Å; A263-L267 WeakPolarHBondContact O-CG 3.4Å; A263-L267 PolarHBondContact O-N 2.91Å; K265-L267 VanDerWaalsContact C-N 3.33Å; K265-L267 PolarHBondContact O-N 2.85Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 2.83Å; L267-V270 PolarHBondContact O-N 3.38Å; L267-V271 WeakPolarHBondContact O-CG2 3.47Å; L267-V271 PolarHBondContact O-N 3.23Å; L267-V271 VanDerWaalsContact O-N 3.11Å; L267-M290 HydrophobicContact CD2-CE 4.13Å
268	L	96.8	Very high	92.8	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-62.7	-41.8	175.9	-63.8	178.1	0	0	0	109.5	L102 M115 V174 V176 V204 T264 K265 V270 V271 F272	L102-L268 HydrophobicContact CD2-CD1 3.8Å; L102-L268 HydrophobicContact CD2-CD2 4.1Å; M115-L268 HydrophobicContact CE-CB 3.47Å; M115-L268 VanDerWaalsContact CE-CB 3.47Å; M115-L268 HydrophobicContact CG-CB 4.49Å; M115-L268 HydrophobicContact CG-CD1 4.04Å; V174-L268 HydrophobicContact CG1-CD2 3.71Å; V176-L268 HydrophobicContact CG2-CD1 4.49Å; V204-L268 HydrophobicContact CG2-CD2 4.27Å; T264-L268 HydrophobicContact CG2-CD1 3.83Å; T264-L268 HydrophobicContact CG2-CG 4.43Å; T264-L268 WeakPolarHBondContact O-CB 3.41Å; T264-L268 VanDerWaalsContact O-CG 3.27Å; T264-L268 WeakPolarHBondContact O-CG 3.49Å; T264-L268 PolarHBondContact O-N 2.79Å; T264-L268 VanDerWaalsContact O-N 3.1Å; K265-L268 PolarHBondContact O-N 3.26Å; L268-V270 VanDerWaalsContact C-N 3.29Å; L268-V270 PolarHBondContact O-N 2.94Å; L268-V271 PolarHBondContact O-N 3.18Å; L268-F272 HydrophobicContact CD2-CE2 4.49Å; L268-F272 VanDerWaalsContact O-CD2 3.23Å; L268-F272 WeakPolarHBondContact O-CD2 3.05Å; L268-F272 PolarHBondContact O-N 3.24Å
269	E	94.4	Very high	92	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-38.3	-177.1	-69	-166.6	149.9	0	0	113.4	M115 K265 I266 L267 S273 Y293 R473	M115-E269 HydrophobicContact CE-CB 4.2Å; M115-E269 HydrophobicContact CE-CG 3.22Å; M115-E269 HydrophobicContact SD-CG 3.79Å; K265-E269 HydrophobicContact CG-CG 4.09Å; K265-E269 IonicContact NZ-OE1 3.91Å; K265-E269 PolarHBondContact NZ-OE1 2.92Å; K265-E269 IonicContact NZ-OE2 2.61Å; K265-E269 PolarHBondContact NZ-OE2 3.36Å; K265-E269 VanDerWaalsContact O-CB 3.31Å; K265-E269 WeakPolarHBondContact O-CB 3.37Å; K265-E269 WeakPolarHBondContact O-CG 3.41Å; K265-E269 PolarHBondContact O-N 2.9Å; I266-E269 PolarHBondContact O-N 3.19Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 2.83Å; E269-S273 VanDerWaalsContact O-CB 3.25Å; E269-S273 WeakPolarHBondContact O-CB 3.44Å; E269-S273 PolarHBondContact O-N 3.26Å; E269-S273 VanDerWaalsContact O-N 3.09Å; E269-S273 PolarHBondContact O-OG 2.93Å; E269-Y293 WeakPolarHBondContact CB-OH 3.43Å; E269-Y293 WeakPolarHBondContact OE2-CE1 3.35Å; E269-Y293 PolarHBondContact OE2-OH 3.38Å; E269-R473 VanDerWaalsContact CG-NH2 3.27Å; E269-R473 PolarHBondContact O-NH2 2.74Å; E269-R473 VanDerWaalsContact O-NH2 3.16Å; E269-R473 WeakPolarHBondContact OE1-CD 3.18Å; E269-R473 IonicContact OE1-CZ 2.79Å; E269-R473 IonicContact OE1-NE 2.82Å; E269-R473 PolarHBondContact OE1-NE 2.85Å; E269-R473 IonicContact OE1-NH1 3.74Å; E269-R473 IonicContact OE2-NE 3.03Å
270	V	93.8	Very high	91.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-48.6	175.8	168	0	0	0	0	111.1	L81 I266 L267 L268 A274 I286 H289 M290 Y293	L81-V270 HydrophobicContact CD1-CG1 4.39Å; I266-V270 HydrophobicContact CG2-CG2 4.3Å; I266-V270 WeakPolarHBondContact O-CB 3.47Å; I266-V270 WeakPolarHBondContact O-CG2 3.41Å; I266-V270 PolarHBondContact O-N 3.04Å; L267-V270 PolarHBondContact O-N 3.38Å; L268-V270 VanDerWaalsContact C-N 3.29Å; L268-V270 PolarHBondContact O-N 2.94Å; V270-A274 WeakPolarHBondContact O-CB 3.45Å; V270-A274 PolarHBondContact O-N 2.83Å; V270-A274 VanDerWaalsContact O-N 3.11Å; V270-I286 HydrophobicContact CG1-CB 4.47Å; V270-I286 HydrophobicContact CG1-CD1 3.8Å; V270-I286 HydrophobicContact CG1-CG2 3.79Å; V270-H289 HydrophobicContact CG1-CB 4.47Å; V270-H289 HydrophobicContact CG2-CB 4.22Å; V270-M290 HydrophobicContact CB-CG 4.4Å; V270-M290 HydrophobicContact CG1-CG 3.98Å; V270-M290 HydrophobicContact CG2-CG 3.8Å; V270-Y293 HydrophobicContact CG2-CD2 4.41Å; V270-Y293 HydrophobicContact CG2-CE2 3.97Å
271	V	94.1	Very high	91.2	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-55.4	-60.4	178.4	165.4	0	0	0	0	110.7	L81 V84 A85 V88 L267 L268 S273 A274 S275	L81-V271 HydrophobicContact CB-CG2 4.12Å; L81-V271 HydrophobicContact CD2-CG2 3.53Å; L81-V271 HydrophobicContact CG-CG2 4.39Å; V84-V271 HydrophobicContact CB-CG1 4.43Å; V84-V271 HydrophobicContact CB-CG2 4.48Å; V84-V271 HydrophobicContact CG1-CG1 3.79Å; V84-V271 HydrophobicContact CG1-CG2 4.36Å; A85-V271 HydrophobicContact CB-CG1 4.29Å; V88-V271 HydrophobicContact CG2-CG1 4.06Å; L267-V271 WeakPolarHBondContact O-CG2 3.47Å; L267-V271 PolarHBondContact O-N 3.23Å; L267-V271 VanDerWaalsContact O-N 3.11Å; L268-V271 PolarHBondContact O-N 3.18Å; V271-S273 PolarHBondContact O-N 3.4Å; V271-A274 WeakPolarHBondContact O-CB 3.13Å; V271-A274 PolarHBondContact O-N 3.24Å; V271-S275 PolarHBondContact O-N 3.28Å; V271-S275 PolarHBondContact O-OG 3.46Å
272	F	90.3	Very high	90.9	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-35.7	-172.1	-77.3	-92.6	0	0	0	112.8	V88 V100 L102 F119 L268 A274 S275 F276	V88-F272 HydrophobicContact CG1-CD1 4.04Å; V88-F272 HydrophobicContact CG1-CE1 4.27Å; V88-F272 HydrophobicContact CG2-CE1 4.45Å; V100-F272 HydrophobicContact CB-CE1 4.44Å; V100-F272 HydrophobicContact CG1-CE1 3.97Å; V100-F272 HydrophobicContact CG1-CZ 3.67Å; V100-F272 HydrophobicContact CG2-CE1 4.45Å; L102-F272 HydrophobicContact CD1-CZ 4.07Å; L102-F272 HydrophobicContact CD2-CE2 4.02Å; L102-F272 HydrophobicContact CD2-CZ 4.15Å; L102-F272 HydrophobicContact CG-CZ 4.36Å; F119-F272 HydrophobicContact CD1-CB 3.93Å; F119-F272 HydrophobicContact CD1-CD1 4.41Å; F119-F272 HydrophobicContact CD1-CG 4.24Å; F119-F272 HydrophobicContact CD2-CB 4.27Å; F119-F272 AromaticContact CD2-CD1 3.64Å; F119-F272 HydrophobicContact CD2-CD1 3.64Å; F119-F272 AromaticContact CD2-CD2 3.91Å; F119-F272 HydrophobicContact CD2-CD2 3.91Å; F119-F272 AromaticContact CD2-CE1 3.77Å; F119-F272 HydrophobicContact CD2-CE1 3.77Å; F119-F272 HydrophobicContact CD2-CE2 4.03Å; F119-F272 AromaticContact CD2-CG 3.69Å; F119-F272 HydrophobicContact CD2-CG 3.69Å; F119-F272 AromaticContact CD2-CZ 3.94Å; F119-F272 HydrophobicContact CD2-CZ 3.94Å; F119-F272 HydrophobicContact CE1-CB 3.19Å; F119-F272 HydrophobicContact CE1-CD1 4.31Å; F119-F272 HydrophobicContact CE1-CD2 4.24Å; F119-F272 AromaticContact CE1-CG 3.71Å; F119-F272 HydrophobicContact CE1-CG 3.71Å; F119-F272 HydrophobicContact CE2-CB 3.7Å; F119-F272 AromaticContact CE2-CD1 3.67Å; F119-F272 HydrophobicContact CE2-CD1 3.67Å; F119-F272 AromaticContact CE2-CD2 3.08Å; F119-F272 HydrophobicContact CE2-CD2 3.08Å; F119-F272 AromaticContact CE2-CE1 3.94Å; F119-F272 HydrophobicContact CE2-CE1 3.94Å; F119-F272 AromaticContact CE2-CE2 3.41Å; F119-F272 HydrophobicContact CE2-CE2 3.41Å; F119-F272 VanDerWaalsContact CE2-CE2 3.41Å; F119-F272 AromaticContact CE2-CG 3.2Å; F119-F272 HydrophobicContact CE2-CG 3.2Å; F119-F272 AromaticContact CE2-CZ 3.81Å; F119-F272 HydrophobicContact CE2-CZ 3.81Å; F119-F272 HydrophobicContact CG-CB 4.39Å; F119-F272 HydrophobicContact CG-CD1 4.06Å; F119-F272 HydrophobicContact CG-CE1 4.48Å; F119-F272 HydrophobicContact CG-CG 4.21Å; F119-F272 HydrophobicContact CZ-CB 3.1Å; F119-F272 HydrophobicContact CZ-CD1 4.01Å; F119-F272 AromaticContact CZ-CD2 3.29Å; F119-F272 HydrophobicContact CZ-CD2 3.29Å; F119-F272 HydrophobicContact CZ-CE2 4.09Å; F119-F272 AromaticContact CZ-CG 3.2Å; F119-F272 HydrophobicContact CZ-CG 3.2Å; L268-F272 HydrophobicContact CD2-CE2 4.49Å; L268-F272 VanDerWaalsContact O-CD2 3.23Å; L268-F272 WeakPolarHBondContact O-CD2 3.05Å; L268-F272 PolarHBondContact O-N 3.24Å; F272-A274 VanDerWaalsContact C-N 3.29Å; F272-A274 PolarHBondContact O-N 3.11Å; F272-S275 WeakPolarHBondContact O-CB 3.3Å; F272-S275 PolarHBondContact O-N 3.46Å; F272-S275 VanDerWaalsContact O-N 3.14Å; F272-F276 HydrophobicContact CB-CE2 4.21Å; F272-F276 HydrophobicContact CB-CZ 4.16Å; F272-F276 HydrophobicContact CD1-CE1 4.19Å; F272-F276 AromaticContact CD1-CZ 3.74Å; F272-F276 HydrophobicContact CD1-CZ 3.74Å; F272-F276 HydrophobicContact CG-CZ 4.44Å; F272-F276 WeakPolarHBondContact O-CD1 3.43Å; F272-F276 WeakPolarHBondContact O-CD2 3.5Å; F272-F276 WeakPolarHBondContact O-CG 3.49Å; F272-F276 PolarHBondContact O-N 3.17Å
273	S	87.5	Confident	90.8	Very high	36 Å²	36	33.7 Å²	33.7	25%	0.252	18%	0.179	S	C	.	.	H	α-helix	trans	-65.2	-36.7	176.8	-51.8	0	0	0	0	111.5	E269 V271 S275 S277 H289 R473	E269-S273 VanDerWaalsContact O-CB 3.25Å; E269-S273 WeakPolarHBondContact O-CB 3.44Å; E269-S273 PolarHBondContact O-N 3.26Å; E269-S273 VanDerWaalsContact O-N 3.09Å; E269-S273 PolarHBondContact O-OG 2.93Å; V271-S273 PolarHBondContact O-N 3.4Å; S273-S275 VanDerWaalsContact C-N 3.33Å; S273-S277 PolarHBondContact O-N 3.04Å; S273-H289 VanDerWaalsContact CB-CE1 3.43Å; S273-H289 WeakPolarHBondContact CB-CE1 3.41Å; S273-H289 PolarHBondContact OG-CE1 3.39Å; S273-R473 PolarHBondContact OG-NH2 2.88Å
274	A	88.8	Confident	90.5	Very high	17 Å²	17	39.2 Å²	39.2	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-36.6	173.3	0	0	0	0	0	111.6	A85 V270 V271 F272 S277 V281 I286	A85-A274 HydrophobicContact CB-CB 4.22Å; V270-A274 WeakPolarHBondContact O-CB 3.45Å; V270-A274 PolarHBondContact O-N 2.83Å; V270-A274 VanDerWaalsContact O-N 3.11Å; V271-A274 WeakPolarHBondContact O-CB 3.13Å; V271-A274 PolarHBondContact O-N 3.24Å; F272-A274 VanDerWaalsContact C-N 3.29Å; F272-A274 PolarHBondContact O-N 3.11Å; A274-S277 PolarHBondContact O-N 3.31Å; A274-V281 HydrophobicContact CB-CG1 4.38Å; A274-V281 HydrophobicContact CB-CG2 4.36Å; A274-I286 HydrophobicContact CB-CD1 3.47Å; A274-I286 VanDerWaalsContact CB-CD1 3.47Å
275	S	87.6	Confident	90.1	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-33.8	178	-54.3	0	0	0	0	113.8	A85 V88 R89 V271 F272 S273 S277	A85-S275 VanDerWaalsContact CA-OG 3.22Å; A85-S275 WeakPolarHBondContact CA-OG 3.39Å; A85-S275 WeakPolarHBondContact CB-OG 3.42Å; A85-S275 PolarHBondContact O-OG 3.17Å; V88-S275 WeakPolarHBondContact CB-OG 3.48Å; V88-S275 VanDerWaalsContact CG1-CB 3.48Å; R89-S275 VanDerWaalsContact CG-O 3.31Å; R89-S275 WeakPolarHBondContact CG-O 3.4Å; V271-S275 PolarHBondContact O-N 3.28Å; V271-S275 PolarHBondContact O-OG 3.46Å; F272-S275 WeakPolarHBondContact O-CB 3.3Å; F272-S275 PolarHBondContact O-N 3.46Å; F272-S275 VanDerWaalsContact O-N 3.14Å; S273-S275 VanDerWaalsContact C-N 3.33Å; S275-S277 VanDerWaalsContact C-N 3.35Å
276	F	82.1	Confident	89.9	Confident	36 Å²	36	40.3 Å²	40.3	16%	0.158	22%	0.22	C	C	.	.	H	α-helix	trans	-83.9	-12.3	-178.9	-57	-19.2	0	0	0	113.3	V88 L92 F119 L123 F272	V88-F276 HydrophobicContact CG1-CE1 4.34Å; L92-F276 HydrophobicContact CD1-CD1 3.51Å; L92-F276 HydrophobicContact CD1-CE1 3.73Å; L92-F276 HydrophobicContact CD2-CD1 4.37Å; L92-F276 HydrophobicContact CD2-CE1 3.98Å; L92-F276 HydrophobicContact CG-CE1 4.4Å; F119-F276 HydrophobicContact CB-CE2 4.19Å; F119-F276 HydrophobicContact CB-CZ 4.16Å; F119-F276 AromaticContact CD1-CE2 3.62Å; F119-F276 HydrophobicContact CD1-CE2 3.62Å; F119-F276 HydrophobicContact CD1-CZ 4.15Å; F119-F276 HydrophobicContact CE1-CE2 4.21Å; F119-F276 HydrophobicContact CG-CE2 4.15Å; F119-F276 HydrophobicContact CG-CZ 4.26Å; L123-F276 HydrophobicContact CD1-CE1 4.46Å; L123-F276 HydrophobicContact CD1-CZ 4.21Å; L123-F276 HydrophobicContact CD2-CD1 4.07Å; L123-F276 HydrophobicContact CD2-CE1 3.89Å; L123-F276 HydrophobicContact CD2-CE2 4.44Å; L123-F276 HydrophobicContact CD2-CG 4.46Å; L123-F276 HydrophobicContact CD2-CZ 4.08Å; L123-F276 HydrophobicContact CG-CE1 4.37Å; L123-F276 HydrophobicContact CG-CE2 4.39Å; L123-F276 HydrophobicContact CG-CZ 4.08Å; F272-F276 HydrophobicContact CB-CE2 4.21Å; F272-F276 HydrophobicContact CB-CZ 4.16Å; F272-F276 HydrophobicContact CD1-CE1 4.19Å; F272-F276 AromaticContact CD1-CZ 3.74Å; F272-F276 HydrophobicContact CD1-CZ 3.74Å; F272-F276 HydrophobicContact CG-CZ 4.44Å; F272-F276 WeakPolarHBondContact O-CD1 3.43Å; F272-F276 WeakPolarHBondContact O-CD2 3.5Å; F272-F276 WeakPolarHBondContact O-CG 3.49Å; F272-F276 PolarHBondContact O-N 3.17Å
277	S	76.7	Confident	89.7	Confident	45 Å²	45	41.9 Å²	41.9	32%	0.315	23%	0.228	S	C	.	.	S	Bend	trans	-67.4	141.4	175.6	-172.6	0	0	0	0	111.5	R89 S273 A274 S275 T279	R89-S277 PolarHBondContact NH1-O 3.33Å; S273-S277 PolarHBondContact O-N 3.04Å; A274-S277 PolarHBondContact O-N 3.31Å; S275-S277 VanDerWaalsContact C-N 3.35Å; S277-T279 PolarHBondContact O-N 3.34Å; S277-T279 PolarHBondContact OG-N 3.22Å; S277-T279 VanDerWaalsContact OG-N 3.16Å; S277-T279 PolarHBondContact OG-OG1 2.87Å
278	R	76.4	Confident	89.3	Confident	229 Å²	229	44.4 Å²	44.4	86%	0.864	24%	0.24	S	C	*	.	S	Bend	trans	-70.6	-18.5	170	-66.5	-175.1	178.1	-179.2	-0.7	112.4
279	T	80.9	Confident	88.9	Confident	79 Å²	79	45.4 Å²	45.4	49%	0.485	24%	0.244	S	C	.	.	S	Bend	trans	-78.1	155.7	176.6	63.7	0	0	0	0	111.2	R89 S277	R89-T279 PolarHBondContact NH1-O 3.03Å; S277-T279 PolarHBondContact O-N 3.34Å; S277-T279 PolarHBondContact OG-N 3.22Å; S277-T279 VanDerWaalsContact OG-N 3.16Å; S277-T279 PolarHBondContact OG-OG1 2.87Å
280	P	87.5	Confident	88.8	Confident	98 Å²	98	45.4 Å²	45.4	64%	0.636	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-56.7	148.2	169.6	-24	34.5	0	0	0	112.1	T282	P280-T282 PolarHBondContact O-N 2.86Å
281	V	91.1	Very high	88.8	Confident	26 Å²	26	49.8 Å²	49.8	16%	0.158	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.3	122	169.9	-178.4	0	0	0	0	107.9	M82 A85 A274 I286	M82-V281 HydrophobicContact CB-CG1 3.98Å; M82-V281 HydrophobicContact CG-CG1 3.93Å; A85-V281 HydrophobicContact CB-CG1 4.15Å; A85-V281 HydrophobicContact CB-CG2 4.15Å; A274-V281 HydrophobicContact CB-CG1 4.38Å; A274-V281 HydrophobicContact CB-CG2 4.36Å; V281-I286 HydrophobicContact CG1-CD1 4.15Å; V281-I286 HydrophobicContact CG1-CG1 4.06Å
282	T	93.2	Very high	88.6	Confident	66 Å²	66	50.5 Å²	50.5	41%	0.405	27%	0.265	S	S	.	.			trans	-125	152.2	-178.3	65.7	0	0	0	0	111	P280 N284 G285 I286	P280-T282 PolarHBondContact O-N 2.86Å; T282-N284 PolarHBondContact O-N 3.29Å; T282-G285 PolarHBondContact O-N 3.45Å; T282-G285 VanDerWaalsContact O-N 3.16Å; T282-G285 PolarHBondContact OG1-N 2.9Å; T282-G285 VanDerWaalsContact OG1-N 3.1Å; T282-I286 PolarHBondContact O-N 3.27Å
283	F	95.1	Very high	88.7	Confident	63 Å²	63	50.4 Å²	50.4	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-54.8	-51.1	176.7	-178	-85.6	0	0	0	111.6	E75 V78 K79 M82 G285 I286 L287	E75-F283 HydrophobicContact CB-CE2 4.25Å; E75-F283 HydrophobicContact CB-CZ 4.38Å; E75-F283 HydrophobicContact CG-CE2 4.44Å; E75-F283 HydrophobicContact CG-CZ 4.11Å; V78-F283 HydrophobicContact CB-CD2 4Å; V78-F283 HydrophobicContact CB-CE2 3.6Å; V78-F283 HydrophobicContact CB-CZ 4.15Å; V78-F283 HydrophobicContact CG1-CB 4.5Å; V78-F283 HydrophobicContact CG1-CD1 4.39Å; V78-F283 HydrophobicContact CG1-CD2 3.32Å; V78-F283 HydrophobicContact CG1-CE1 4.46Å; V78-F283 HydrophobicContact CG1-CE2 3.42Å; V78-F283 VanDerWaalsContact CG1-CE2 3.42Å; V78-F283 HydrophobicContact CG1-CG 3.84Å; V78-F283 HydrophobicContact CG1-CZ 4.01Å; V78-F283 HydrophobicContact CG2-CE2 4.33Å; V78-F283 HydrophobicContact CG2-CZ 4.4Å; K79-F283 HydrophobicContact CG-CD2 4.43Å; M82-F283 WeakPolarHBondContact SD-CA 3.48Å; M82-F283 HydrophobicContact SD-CB 3.81Å; M82-F283 HydrophobicContact SD-CD2 4.28Å; M82-F283 PolarHBondContact SD-N 3.11Å; M82-F283 VanDerWaalsContact SD-N 3.42Å; F283-G285 VanDerWaalsContact C-N 3.3Å; F283-G285 PolarHBondContact O-N 3.45Å; F283-I286 PolarHBondContact O-N 3.19Å; F283-L287 HydrophobicContact CE1-CD2 3.94Å; F283-L287 WeakPolarHBondContact O-CB 3.36Å; F283-L287 PolarHBondContact O-N 3.45Å
284	N	92.4	Very high	89	Confident	115 Å²	115	51.3 Å²	51.3	62%	0.615	27%	0.265	S	S	*	.	H	α-helix	trans	-62.1	-37.7	178.7	-71.4	-17.8	0	0	0	112.1	T282 Q288	T282-N284 PolarHBondContact O-N 3.29Å; N284-Q288 WeakPolarHBondContact O-CB 3.44Å; N284-Q288 PolarHBondContact O-N 3.46Å
285	G	90.2	Very high	89	Confident	21 Å²	21	55.2 Å²	55.2	22%	0.216	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-47	176.8	0	0	0	0	0	112.7	T282 F283 H289	T282-G285 PolarHBondContact O-N 3.45Å; T282-G285 VanDerWaalsContact O-N 3.16Å; T282-G285 PolarHBondContact OG1-N 2.9Å; T282-G285 VanDerWaalsContact OG1-N 3.1Å; F283-G285 VanDerWaalsContact C-N 3.3Å; F283-G285 PolarHBondContact O-N 3.45Å; G285-H289 WeakPolarHBondContact O-CB 3.45Å; G285-H289 PolarHBondContact O-N 3.4Å
286	I	92.8	Very high	89	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-51.5	176.1	-66.3	-65.9	0	0	0	110.5	V78 L81 M82 V270 A274 V281 T282 F283 Q288 H289 M290	V78-I286 HydrophobicContact CB-CG2 4.4Å; V78-I286 HydrophobicContact CG1-CB 3.95Å; V78-I286 HydrophobicContact CG1-CG2 3.75Å; L81-I286 HydrophobicContact CB-CG2 4.07Å; L81-I286 HydrophobicContact CD1-CG2 4.12Å; M82-I286 HydrophobicContact CG-CB 4.44Å; M82-I286 HydrophobicContact CG-CG1 3.7Å; V270-I286 HydrophobicContact CG1-CB 4.47Å; V270-I286 HydrophobicContact CG1-CD1 3.8Å; V270-I286 HydrophobicContact CG1-CG2 3.79Å; A274-I286 HydrophobicContact CB-CD1 3.47Å; A274-I286 VanDerWaalsContact CB-CD1 3.47Å; V281-I286 HydrophobicContact CG1-CD1 4.15Å; V281-I286 HydrophobicContact CG1-CG1 4.06Å; T282-I286 PolarHBondContact O-N 3.27Å; F283-I286 PolarHBondContact O-N 3.19Å; I286-Q288 VanDerWaalsContact C-N 3.35Å; I286-Q288 PolarHBondContact O-N 3.35Å; I286-H289 PolarHBondContact O-N 3.1Å; I286-H289 VanDerWaalsContact O-N 3.14Å; I286-M290 HydrophobicContact CG2-SD 3.98Å; I286-M290 WeakPolarHBondContact O-CG 3.48Å; I286-M290 PolarHBondContact O-N 3.38Å
287	L	93.5	Very high	89.5	Confident	32 Å²	32	53.9 Å²	53.9	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-43.7	-178.5	179.8	60.5	0	0	0	112	L73 V78 F283 H289 M290 R291	L73-L287 HydrophobicContact CB-CD1 4.49Å; L73-L287 HydrophobicContact CD2-CD1 4.29Å; V78-L287 HydrophobicContact CG2-CB 4.38Å; V78-L287 HydrophobicContact CG2-CD1 4.22Å; F283-L287 HydrophobicContact CE1-CD2 3.94Å; F283-L287 WeakPolarHBondContact O-CB 3.36Å; F283-L287 PolarHBondContact O-N 3.45Å; L287-H289 VanDerWaalsContact C-N 3.32Å; L287-H289 PolarHBondContact O-N 2.77Å; L287-M290 PolarHBondContact O-N 3.37Å; L287-R291 WeakPolarHBondContact O-CG 3.42Å; L287-R291 PolarHBondContact O-N 2.95Å
288	Q	89.6	Confident	90	Very high	55 Å²	55	56 Å²	56	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-37.7	177.5	-176.5	-178.9	-26.9	0	0	111.8	N284 I286 R291 S292	N284-Q288 WeakPolarHBondContact O-CB 3.44Å; N284-Q288 PolarHBondContact O-N 3.46Å; I286-Q288 VanDerWaalsContact C-N 3.35Å; I286-Q288 PolarHBondContact O-N 3.35Å; Q288-R291 PolarHBondContact O-N 2.85Å; Q288-S292 PolarHBondContact O-N 2.81Å
289	H	89.8	Confident	90.5	Very high	25 Å²	25	47.6 Å²	47.6	12%	0.116	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-42.5	175.7	-167.5	-172.8	0	0	0	111.1	V270 S273 G285 I286 L287 S292 Y293	V270-H289 HydrophobicContact CG1-CB 4.47Å; V270-H289 HydrophobicContact CG2-CB 4.22Å; S273-H289 VanDerWaalsContact CB-CE1 3.43Å; S273-H289 WeakPolarHBondContact CB-CE1 3.41Å; S273-H289 PolarHBondContact OG-CE1 3.39Å; G285-H289 WeakPolarHBondContact O-CB 3.45Å; G285-H289 PolarHBondContact O-N 3.4Å; I286-H289 PolarHBondContact O-N 3.1Å; I286-H289 VanDerWaalsContact O-N 3.14Å; L287-H289 VanDerWaalsContact C-N 3.32Å; L287-H289 PolarHBondContact O-N 2.77Å; H289-S292 WeakPolarHBondContact O-CB 3.49Å; H289-S292 PolarHBondContact O-N 3.06Å; H289-S292 VanDerWaalsContact O-N 3.11Å; H289-S292 PolarHBondContact O-OG 3.15Å; H289-Y293 AromaticContact CD2-CE2 3.75Å; H289-Y293 AromaticContact NE2-CE2 3.64Å; H289-Y293 WeakPolarHBondContact O-CD2 3.41Å
290	M	92.3	Very high	90.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-47.1	173.8	-64.5	175.2	81	0	0	111.8	L72 L73 V78 L81 L267 V270 I286 L287 S292 Y293	L72-M290 HydrophobicContact CD1-CE 3.86Å; L72-M290 HydrophobicContact CG-CE 3.76Å; L72-M290 WeakPolarHBondContact O-CE 3.21Å; L73-M290 HydrophobicContact CD2-CB 3.74Å; L73-M290 HydrophobicContact CD2-CE 4.25Å; V78-M290 HydrophobicContact CG2-SD 4.18Å; L81-M290 HydrophobicContact CD1-CE 3.83Å; L81-M290 HydrophobicContact CD1-SD 3.59Å; L81-M290 VanDerWaalsContact CD1-SD 3.59Å; L267-M290 HydrophobicContact CD2-CE 4.13Å; V270-M290 HydrophobicContact CB-CG 4.4Å; V270-M290 HydrophobicContact CG1-CG 3.98Å; V270-M290 HydrophobicContact CG2-CG 3.8Å; I286-M290 HydrophobicContact CG2-SD 3.98Å; I286-M290 WeakPolarHBondContact O-CG 3.48Å; I286-M290 PolarHBondContact O-N 3.38Å; L287-M290 PolarHBondContact O-N 3.37Å; M290-S292 PolarHBondContact O-N 3.27Å; M290-S292 VanDerWaalsContact O-N 3.17Å; M290-Y293 PolarHBondContact O-N 2.97Å
291	R	92.5	Very high	90.9	Very high	92 Å²	92	39.6 Å²	39.6	35%	0.347	20%	0.201	S	C	.	.	H	α-helix	trans	-62.5	-19.8	175.1	-72.9	-170.3	-174	-100	2.5	113.7	E63 L287 Q288 Y293 E294 K295	E63-R291 IonicContact OE1-CZ 3.97Å; E63-R291 VanDerWaalsContact OE1-CZ 3.22Å; E63-R291 IonicContact OE1-NH1 2.74Å; E63-R291 PolarHBondContact OE1-NH1 3.08Å; E63-R291 IonicContact OE1-NH2 3.9Å; E63-R291 PolarHBondContact OE1-NH2 3.29Å; L287-R291 WeakPolarHBondContact O-CG 3.42Å; L287-R291 PolarHBondContact O-N 2.95Å; Q288-R291 PolarHBondContact O-N 2.85Å; R291-Y293 VanDerWaalsContact C-N 3.28Å; R291-Y293 PolarHBondContact O-N 2.66Å; R291-E294 WeakPolarHBondContact O-CB 3.46Å; R291-E294 PolarHBondContact O-N 3.29Å; R291-K295 PolarHBondContact O-N 3.02Å
292	S	89.5	Confident	90.8	Very high	17 Å²	17	42.2 Å²	42.2	12%	0.119	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-28.1	174.3	83.9	0	0	0	0	112.6	Q288 H289 M290 K295 A296 Q474	Q288-S292 PolarHBondContact O-N 2.81Å; H289-S292 WeakPolarHBondContact O-CB 3.49Å; H289-S292 PolarHBondContact O-N 3.06Å; H289-S292 VanDerWaalsContact O-N 3.11Å; H289-S292 PolarHBondContact O-OG 3.15Å; M290-S292 PolarHBondContact O-N 3.27Å; M290-S292 VanDerWaalsContact O-N 3.17Å; S292-K295 PolarHBondContact O-N 3.35Å; S292-A296 PolarHBondContact O-N 3.27Å; S292-Q474 VanDerWaalsContact CB-NE2 3.33Å; S292-Q474 PolarHBondContact OG-NE2 3.41Å; S292-Q474 VanDerWaalsContact OG-NE2 3.1Å
293	Y	93.4	Very high	90.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-76.5	-29.9	174.6	-69.6	-85	0	0	0	112.7	I266 E269 V270 H289 M290 R291 K295 A296 L297 F477	I266-Y293 HydrophobicContact CB-CD2 4.43Å; I266-Y293 HydrophobicContact CB-CG 4.4Å; I266-Y293 HydrophobicContact CD1-CG 4.36Å; I266-Y293 HydrophobicContact CG1-CD1 3.78Å; I266-Y293 HydrophobicContact CG1-CD2 4.24Å; I266-Y293 HydrophobicContact CG1-CE1 4.36Å; I266-Y293 HydrophobicContact CG1-CG 3.72Å; I266-Y293 HydrophobicContact CG2-CD2 3.73Å; I266-Y293 HydrophobicContact CG2-CE2 4.25Å; I266-Y293 HydrophobicContact CG2-CG 4.04Å; E269-Y293 WeakPolarHBondContact CB-OH 3.43Å; E269-Y293 WeakPolarHBondContact OE2-CE1 3.35Å; E269-Y293 PolarHBondContact OE2-OH 3.38Å; V270-Y293 HydrophobicContact CG2-CD2 4.41Å; V270-Y293 HydrophobicContact CG2-CE2 3.97Å; H289-Y293 AromaticContact CD2-CE2 3.75Å; H289-Y293 AromaticContact NE2-CE2 3.64Å; H289-Y293 WeakPolarHBondContact O-CD2 3.41Å; M290-Y293 PolarHBondContact O-N 2.97Å; R291-Y293 VanDerWaalsContact C-N 3.28Å; R291-Y293 PolarHBondContact O-N 2.66Å; Y293-K295 VanDerWaalsContact C-N 3.3Å; Y293-K295 PolarHBondContact O-N 2.98Å; Y293-A296 PolarHBondContact O-N 2.87Å; Y293-L297 WeakPolarHBondContact O-CB 3.22Å; Y293-L297 PolarHBondContact O-N 3.27Å; Y293-F477 HydrophobicContact CD1-CB 3.96Å; Y293-F477 AromaticContact CD1-CD1 3.87Å; Y293-F477 HydrophobicContact CD1-CD1 3.87Å; Y293-F477 HydrophobicContact CD1-CD2 4.32Å; Y293-F477 HydrophobicContact CD1-CE1 4.45Å; Y293-F477 AromaticContact CD1-CG 3.79Å; Y293-F477 HydrophobicContact CD1-CG 3.79Å; Y293-F477 HydrophobicContact CE1-CB 4.05Å; Y293-F477 HydrophobicContact CE1-CG 4.35Å; Y293-F477 WeakPolarHBondContact O-CE1 3.41Å
294	E	93.8	Very high	90.4	Very high	55 Å²	55	38.5 Å²	38.5	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-45.1	169.7	-174.3	177.2	-147.6	0	0	110.3	F61 R291 A296 L297 D298	F61-E294 HydrophobicContact CB-CB 4.48Å; F61-E294 HydrophobicContact CB-CG 4.07Å; F61-E294 HydrophobicContact CD1-CB 3.69Å; F61-E294 HydrophobicContact CD1-CG 4.21Å; F61-E294 HydrophobicContact CD2-CB 4.31Å; F61-E294 HydrophobicContact CD2-CG 4.36Å; F61-E294 HydrophobicContact CE1-CB 3.9Å; F61-E294 HydrophobicContact CE2-CB 4.49Å; F61-E294 HydrophobicContact CG-CB 3.9Å; F61-E294 HydrophobicContact CG-CG 3.96Å; F61-E294 HydrophobicContact CZ-CB 4.29Å; R291-E294 WeakPolarHBondContact O-CB 3.46Å; R291-E294 PolarHBondContact O-N 3.29Å; E294-A296 PolarHBondContact O-N 2.92Å; E294-L297 VanDerWaalsContact O-CB 3.29Å; E294-L297 WeakPolarHBondContact O-CB 3.39Å; E294-L297 PolarHBondContact O-N 3.39Å; E294-L297 VanDerWaalsContact O-N 3.17Å; E294-D298 PolarHBondContact O-N 3.17Å
295	K	87.9	Confident	90.2	Very high	98 Å²	98	41 Å²	41	43%	0.426	21%	0.21	S	C	.	.	H	α-helix	trans	-67.2	-35.8	175.9	-62.3	177.5	-178.4	-178.5	0	113	R291 S292 Y293 L297 D298 F299 L460	R291-K295 PolarHBondContact O-N 3.02Å; S292-K295 PolarHBondContact O-N 3.35Å; Y293-K295 VanDerWaalsContact C-N 3.3Å; Y293-K295 PolarHBondContact O-N 2.98Å; K295-L297 VanDerWaalsContact C-N 3.29Å; K295-D298 PolarHBondContact O-N 3.17Å; K295-F299 VanDerWaalsContact O-CB 3.26Å; K295-F299 WeakPolarHBondContact O-CB 3.47Å; K295-F299 PolarHBondContact O-N 3.47Å; K295-L460 HydrophobicContact CB-CD1 4.32Å; K295-L460 HydrophobicContact CD-CD1 4.27Å; K295-L460 HydrophobicContact CD-CD2 3.21Å; K295-L460 HydrophobicContact CD-CG 4.18Å; K295-L460 VanDerWaalsContact NZ-CD2 3.3Å
296	A	87.5	Confident	90.2	Very high	10 Å²	10	43.3 Å²	43.3	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-34	173.7	0	0	0	0	0	111.7	S292 Y293 E294 T300 Q474 F477	S292-A296 PolarHBondContact O-N 3.27Å; Y293-A296 PolarHBondContact O-N 2.87Å; E294-A296 PolarHBondContact O-N 2.92Å; A296-T300 WeakPolarHBondContact O-CB 3.37Å; A296-T300 PolarHBondContact O-N 3.35Å; A296-T300 PolarHBondContact O-OG1 2.92Å; A296-Q474 HydrophobicContact CB-CB 4.16Å; A296-Q474 HydrophobicContact CB-CG 4.25Å; A296-F477 HydrophobicContact CB-CD1 3.94Å; A296-F477 HydrophobicContact CB-CE1 4.39Å
297	L	92.8	Very high	90.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-54.8	171.6	-179.7	151.2	0	0	0	110.2	D57 A58 M60 F61 Y293 E294 K295 F299 T300 Y301 F477 L481	D57-L297 HydrophobicContact CB-CD1 3.82Å; A58-L297 HydrophobicContact CB-CD2 4.38Å; M60-L297 HydrophobicContact CE-CD1 4.42Å; F61-L297 HydrophobicContact CD2-CD1 4.07Å; F61-L297 HydrophobicContact CE2-CB 4.38Å; F61-L297 HydrophobicContact CE2-CD1 3.76Å; Y293-L297 WeakPolarHBondContact O-CB 3.22Å; Y293-L297 PolarHBondContact O-N 3.27Å; E294-L297 VanDerWaalsContact O-CB 3.29Å; E294-L297 WeakPolarHBondContact O-CB 3.39Å; E294-L297 PolarHBondContact O-N 3.39Å; E294-L297 VanDerWaalsContact O-N 3.17Å; K295-L297 VanDerWaalsContact C-N 3.29Å; L297-F299 PolarHBondContact O-N 2.92Å; L297-T300 WeakPolarHBondContact O-CB 3.3Å; L297-T300 PolarHBondContact O-N 3.21Å; L297-Y301 HydrophobicContact CD1-CE2 4.38Å; L297-Y301 HydrophobicContact CD2-CD2 3.79Å; L297-Y301 HydrophobicContact CD2-CE2 4.16Å; L297-Y301 HydrophobicContact CG-CD2 3.81Å; L297-Y301 HydrophobicContact CG-CE2 3.81Å; L297-Y301 VanDerWaalsContact O-CD2 3.28Å; L297-Y301 WeakPolarHBondContact O-CD2 3.3Å; L297-Y301 PolarHBondContact O-N 3.29Å; L297-F477 HydrophobicContact CB-CE1 4.08Å; L297-L481 HydrophobicContact CB-CD1 4.36Å; L297-L481 HydrophobicContact CG-CD1 4.33Å
298	D	88.4	Confident	90.3	Very high	91 Å²	91	42 Å²	42	49%	0.487	21%	0.209	S	C	.	.	H	α-helix	trans	-55.2	-43.9	179.3	-70.7	-23.8	0	0	0	111.6	E294 K295 Y301 S302	E294-D298 PolarHBondContact O-N 3.17Å; K295-D298 PolarHBondContact O-N 3.17Å; D298-Y301 PolarHBondContact O-N 2.93Å; D298-S302 PolarHBondContact O-N 3.21Å
299	F	85.6	Confident	90.5	Very high	52 Å²	52	41.1 Å²	41.1	23%	0.228	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-39.2	177.4	-179.3	-92.5	0	0	0	112.9	K295 L297 S302 H303 L454 G455	K295-F299 VanDerWaalsContact O-CB 3.26Å; K295-F299 WeakPolarHBondContact O-CB 3.47Å; K295-F299 PolarHBondContact O-N 3.47Å; L297-F299 PolarHBondContact O-N 2.92Å; F299-S302 PolarHBondContact O-N 2.99Å; F299-S302 PolarHBondContact O-OG 3.36Å; F299-H303 AromaticContact CE1-CE1 3.84Å; F299-H303 AromaticContact CE2-CE1 3.86Å; F299-H303 AromaticContact CZ-CE1 3.42Å; F299-H303 VanDerWaalsContact CZ-CE1 3.42Å; F299-H303 WeakPolarHBondContact CZ-CE1 3.42Å; F299-H303 PolarHBondContact O-ND1 3.01Å; F299-L454 HydrophobicContact CD1-CD2 4.47Å; F299-L454 HydrophobicContact CE1-CB 4.06Å; F299-L454 HydrophobicContact CE1-CD2 4.01Å; F299-G455 WeakPolarHBondContact CE1-O 3.47Å; F299-G455 WeakPolarHBondContact CE2-O 3.42Å; F299-G455 WeakPolarHBondContact CZ-O 3.36Å
300	T	87.9	Confident	90.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-47	177.2	-55	0	0	0	0	110.2	A296 L297 S302 H303 I307 L454 S478 L481	A296-T300 WeakPolarHBondContact O-CB 3.37Å; A296-T300 PolarHBondContact O-N 3.35Å; A296-T300 PolarHBondContact O-OG1 2.92Å; L297-T300 WeakPolarHBondContact O-CB 3.3Å; L297-T300 PolarHBondContact O-N 3.21Å; T300-S302 VanDerWaalsContact C-N 3.28Å; T300-S302 PolarHBondContact O-N 3.43Å; T300-H303 PolarHBondContact O-N 3.16Å; T300-I307 HydrophobicContact CG2-CD1 4.18Å; T300-L454 HydrophobicContact CG2-CD2 4.47Å; T300-S478 WeakPolarHBondContact CG2-OG 3.4Å; T300-S478 WeakPolarHBondContact OG1-CA 3.4Å; T300-S478 WeakPolarHBondContact OG1-CB 3.39Å; T300-S478 PolarHBondContact OG1-OG 2.89Å; T300-L481 HydrophobicContact CG2-CB 4.09Å; T300-L481 HydrophobicContact CG2-CD1 4.42Å
301	Y	90.3	Very high	91	Very high	8 Å²	8	40.2 Å²	40.2	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-77.3	-8.7	-179.1	-70.5	-73	0	0	0	114.3	M50 Q54 D57 L297 D298 H303 S304 L481	M50-Y301 HydrophobicContact CE-CD1 3.7Å; M50-Y301 HydrophobicContact CE-CE1 3.65Å; Q54-Y301 HydrophobicContact CB-CD1 3.52Å; Q54-Y301 HydrophobicContact CB-CD2 4.19Å; Q54-Y301 HydrophobicContact CB-CE1 3.75Å; Q54-Y301 HydrophobicContact CB-CE2 4.4Å; Q54-Y301 HydrophobicContact CB-CG 3.77Å; Q54-Y301 HydrophobicContact CG-CD1 3.86Å; Q54-Y301 HydrophobicContact CG-CD2 3.81Å; Q54-Y301 HydrophobicContact CG-CE1 4.42Å; Q54-Y301 HydrophobicContact CG-CE2 4.39Å; Q54-Y301 HydrophobicContact CG-CG 3.53Å; D57-Y301 HydrophobicContact CB-CE2 4.2Å; D57-Y301 PolarHBondContact OD2-OH 2.84Å; L297-Y301 HydrophobicContact CD1-CE2 4.38Å; L297-Y301 HydrophobicContact CD2-CD2 3.79Å; L297-Y301 HydrophobicContact CD2-CE2 4.16Å; L297-Y301 HydrophobicContact CG-CD2 3.81Å; L297-Y301 HydrophobicContact CG-CE2 3.81Å; L297-Y301 VanDerWaalsContact O-CD2 3.28Å; L297-Y301 WeakPolarHBondContact O-CD2 3.3Å; L297-Y301 PolarHBondContact O-N 3.29Å; D298-Y301 PolarHBondContact O-N 2.93Å; Y301-H303 PolarHBondContact O-N 3.37Å; Y301-S304 WeakPolarHBondContact O-CB 3.45Å; Y301-S304 PolarHBondContact O-N 3.26Å; Y301-S304 PolarHBondContact O-OG 2.94Å; Y301-L481 HydrophobicContact CE2-CD1 4.07Å
302	S	88.1	Confident	91.2	Very high	81 Å²	81	39.6 Å²	39.6	57%	0.566	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14	166.3	78.2	0	0	0	0	112.8	D298 F299 T300	D298-S302 PolarHBondContact O-N 3.21Å; F299-S302 PolarHBondContact O-N 2.99Å; F299-S302 PolarHBondContact O-OG 3.36Å; T300-S302 VanDerWaalsContact C-N 3.28Å; T300-S302 PolarHBondContact O-N 3.43Å
303	H	88.7	Confident	91.5	Very high	28 Å²	28	38.8 Å²	38.8	13%	0.13	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	29	175.1	-55.8	82.2	0	0	0	111.8	F299 T300 Y301 E305 E306 I307 T453	F299-H303 AromaticContact CE1-CE1 3.84Å; F299-H303 AromaticContact CE2-CE1 3.86Å; F299-H303 AromaticContact CZ-CE1 3.42Å; F299-H303 VanDerWaalsContact CZ-CE1 3.42Å; F299-H303 WeakPolarHBondContact CZ-CE1 3.42Å; F299-H303 PolarHBondContact O-ND1 3.01Å; T300-H303 PolarHBondContact O-N 3.16Å; Y301-H303 PolarHBondContact O-N 3.37Å; H303-E305 PolarHBondContact O-N 2.79Å; H303-E306 WeakPolarHBondContact CA-OE2 3.39Å; H303-E306 PolarHBondContact O-N 2.94Å; H303-I307 VanDerWaalsContact O-CG1 3.28Å; H303-I307 WeakPolarHBondContact O-CG1 3.28Å; H303-I307 PolarHBondContact O-N 3.02Å; H303-T453 PolarHBondContact NE2-O 3.48Å
304	S	90.6	Very high	91.7	Very high	23 Å²	23	38.8 Å²	38.8	16%	0.161	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-29.3	-174.7	-74	0	0	0	0	113.4	Y301 A308	Y301-S304 WeakPolarHBondContact O-CB 3.45Å; Y301-S304 PolarHBondContact O-N 3.26Å; Y301-S304 PolarHBondContact O-OG 2.94Å; S304-A308 WeakPolarHBondContact O-CB 3.37Å; S304-A308 PolarHBondContact O-N 2.82Å
305	E	89.6	Confident	91.9	Very high	169 Å²	169	36.2 Å²	36.2	79%	0.79	19%	0.19	S	C	*	.	H	α-helix	trans	-67.3	-43.4	179	-65.7	-170.9	173.5	0	0	110.8	H303 A308 A309	H303-E305 PolarHBondContact O-N 2.79Å; E305-A308 WeakPolarHBondContact O-CB 3.48Å; E305-A308 PolarHBondContact O-N 3.1Å; E305-A309 PolarHBondContact O-N 3.42Å
306	E	89	Confident	92.3	Very high	68 Å²	68	37.8 Å²	37.8	32%	0.318	19%	0.194	S	C	.	.	H	α-helix	trans	-76.3	-36	-178.8	-54.1	96.3	145.5	0	0	112.3	H303 A308 A309 L310 F451	H303-E306 WeakPolarHBondContact CA-OE2 3.39Å; H303-E306 PolarHBondContact O-N 2.94Å; E306-A308 VanDerWaalsContact C-N 3.31Å; E306-A309 PolarHBondContact O-N 3.36Å; E306-L310 PolarHBondContact O-N 3.25Å; E306-F451 HydrophobicContact CB-CB 4.42Å; E306-F451 WeakPolarHBondContact CB-O 3.31Å; E306-F451 WeakPolarHBondContact CG-O 3.43Å
307	I	94.1	Very high	92.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-40	171.1	-61.1	167.5	0	0	0	110.1	M50 T300 H303 L310 M311 L482 A485 V486	M50-I307 HydrophobicContact CE-CB 3.89Å; M50-I307 HydrophobicContact CE-CD1 4.22Å; M50-I307 HydrophobicContact CE-CG2 3.64Å; M50-I307 HydrophobicContact SD-CB 4.17Å; M50-I307 HydrophobicContact SD-CG2 3.54Å; M50-I307 VanDerWaalsContact SD-CG2 3.54Å; T300-I307 HydrophobicContact CG2-CD1 4.18Å; H303-I307 VanDerWaalsContact O-CG1 3.28Å; H303-I307 WeakPolarHBondContact O-CG1 3.28Å; H303-I307 PolarHBondContact O-N 3.02Å; I307-L310 PolarHBondContact O-N 2.79Å; I307-M311 VanDerWaalsContact O-CB 3.3Å; I307-M311 WeakPolarHBondContact O-CB 3.43Å; I307-M311 PolarHBondContact O-N 3.37Å; I307-L482 HydrophobicContact CG1-CD1 4.2Å; I307-L482 HydrophobicContact CG1-CG 4.25Å; I307-A485 HydrophobicContact CG2-CB 4.06Å; I307-V486 HydrophobicContact CG2-CG2 4.21Å
308	A	95.5	Very high	93	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-43.1	174	0	0	0	0	0	111.8	A46 M50 S304 E305 E306 L310 M311 E312	A46-A308 HydrophobicContact CB-CB 3.99Å; M50-A308 HydrophobicContact CG-CB 3.79Å; S304-A308 WeakPolarHBondContact O-CB 3.37Å; S304-A308 PolarHBondContact O-N 2.82Å; E305-A308 WeakPolarHBondContact O-CB 3.48Å; E305-A308 PolarHBondContact O-N 3.1Å; E306-A308 VanDerWaalsContact C-N 3.31Å; A308-L310 PolarHBondContact O-N 2.93Å; A308-M311 WeakPolarHBondContact O-CB 3.33Å; A308-M311 PolarHBondContact O-N 3.14Å; A308-E312 WeakPolarHBondContact O-CG 3.4Å; A308-E312 PolarHBondContact O-N 2.92Å
309	A	93.5	Very high	93.2	Very high	36 Å²	36	38.2 Å²	38.2	30%	0.298	19%	0.192	S	C	.	.	H	α-helix	trans	-62	-42.6	177.5	0	0	0	0	0	112.4	E305 E306 E312 A313	E305-A309 PolarHBondContact O-N 3.42Å; E306-A309 PolarHBondContact O-N 3.36Å; A309-E312 PolarHBondContact O-N 2.91Å; A309-A313 PolarHBondContact O-N 3.48Å
310	L	95.3	Very high	93.5	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-42.5	174.3	174	58.4	0	0	0	111.8	E306 I307 A308 E312 A313 A314 T399 L401 H428 L482 V486	E306-L310 PolarHBondContact O-N 3.25Å; I307-L310 PolarHBondContact O-N 2.79Å; A308-L310 PolarHBondContact O-N 2.93Å; L310-E312 VanDerWaalsContact C-N 3.32Å; L310-E312 PolarHBondContact O-N 3.43Å; L310-A313 PolarHBondContact O-N 2.98Å; L310-A314 WeakPolarHBondContact O-CB 3.28Å; L310-A314 PolarHBondContact O-N 2.82Å; L310-T399 HydrophobicContact CD1-CG2 4.34Å; L310-L401 HydrophobicContact CD1-CD1 4.38Å; L310-L401 HydrophobicContact CD2-CD1 3.75Å; L310-L401 HydrophobicContact CD2-CD2 3.98Å; L310-L401 HydrophobicContact CD2-CG 4.47Å; L310-H428 HydrophobicContact CD1-CB 3.84Å; L310-L482 HydrophobicContact CD2-CD2 4.1Å; L310-V486 HydrophobicContact CB-CG2 4.33Å; L310-V486 HydrophobicContact CD2-CG2 3.7Å; L310-V486 HydrophobicContact CG-CG1 4.14Å; L310-V486 HydrophobicContact CG-CG2 3.73Å
311	M	97.3	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-43.2	174.7	179	-160.3	-70.4	0	0	111.6	A46 I49 M50 L53 I307 A308 G315 A485 F493	A46-M311 HydrophobicContact CB-SD 3.96Å; I49-M311 HydrophobicContact CB-CE 4.38Å; I49-M311 HydrophobicContact CB-SD 4.18Å; I49-M311 HydrophobicContact CD1-SD 4.35Å; I49-M311 HydrophobicContact CG2-CE 3.72Å; I49-M311 HydrophobicContact CG2-SD 3.89Å; M50-M311 HydrophobicContact CG-CE 3.86Å; M50-M311 HydrophobicContact SD-CE 3.43Å; M50-M311 WeakPolarHBondContact SD-CE 3.34Å; L53-M311 HydrophobicContact CD1-CE 4.29Å; I307-M311 VanDerWaalsContact O-CB 3.3Å; I307-M311 WeakPolarHBondContact O-CB 3.43Å; I307-M311 PolarHBondContact O-N 3.37Å; A308-M311 WeakPolarHBondContact O-CB 3.33Å; A308-M311 PolarHBondContact O-N 3.14Å; M311-G315 PolarHBondContact O-N 3.42Å; M311-A485 HydrophobicContact CE-CB 4.4Å; M311-A485 WeakPolarHBondContact CE-O 3.2Å; M311-F493 HydrophobicContact CG-CE2 4.01Å; M311-F493 HydrophobicContact SD-CE2 4.09Å
312	E	96.6	Very high	94	Very high	78 Å²	78	47.8 Å²	47.8	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-40.6	175.9	-70	-177.4	176.1	0	0	112.5	A46 A308 A309 L310 G315 R316 F493	A46-E312 HydrophobicContact CB-CG 3.37Å; A46-E312 WeakPolarHBondContact CB-OE1 3.47Å; A308-E312 WeakPolarHBondContact O-CG 3.4Å; A308-E312 PolarHBondContact O-N 2.92Å; A309-E312 PolarHBondContact O-N 2.91Å; L310-E312 VanDerWaalsContact C-N 3.32Å; L310-E312 PolarHBondContact O-N 3.43Å; E312-G315 PolarHBondContact O-N 3.09Å; E312-R316 WeakPolarHBondContact O-CB 3.22Å; E312-R316 WeakPolarHBondContact O-CG 3.43Å; E312-R316 PolarHBondContact O-N 2.87Å; E312-R316 IonicContact OE2-NH1 3.69Å; E312-F493 HydrophobicContact CG-CE2 4.15Å; E312-F493 HydrophobicContact CG-CZ 4.39Å
313	A	95.9	Very high	94.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-48.8	176.3	0	0	0	0	0	111.2	A309 L310 G315 R316 S317 T399	A309-A313 PolarHBondContact O-N 3.48Å; L310-A313 PolarHBondContact O-N 2.98Å; A313-G315 PolarHBondContact O-N 3.24Å; A313-R316 PolarHBondContact O-N 3.1Å; A313-S317 PolarHBondContact O-N 2.97Å; A313-S317 PolarHBondContact O-OG 2.92Å; A313-T399 PolarHBondContact O-OG1 3.23Å
314	A	97.7	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-44.7	174.4	0	0	0	0	0	111.7	L310 R316 S317 L318 V324 V486 A490	L310-A314 WeakPolarHBondContact O-CB 3.28Å; L310-A314 PolarHBondContact O-N 2.82Å; A314-R316 PolarHBondContact O-N 3.28Å; A314-S317 WeakPolarHBondContact O-CB 3.43Å; A314-S317 PolarHBondContact O-N 2.96Å; A314-L318 WeakPolarHBondContact O-CG 3.36Å; A314-L318 PolarHBondContact O-N 3.07Å; A314-V324 HydrophobicContact CB-CG1 4.42Å; A314-V324 HydrophobicContact CB-CG2 3.9Å; A314-V486 HydrophobicContact CB-CG1 3.86Å; A314-A490 HydrophobicContact CB-CB 3.82Å
315	G	97.1	Very high	95.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-44.8	176.3	0	0	0	0	0	113.1	M311 E312 A313 L318 Q319	M311-G315 PolarHBondContact O-N 3.42Å; E312-G315 PolarHBondContact O-N 3.09Å; A313-G315 PolarHBondContact O-N 3.24Å; G315-L318 PolarHBondContact O-N 3.42Å; G315-Q319 WeakPolarHBondContact O-CB 3.49Å; G315-Q319 VanDerWaalsContact O-CG 3.27Å; G315-Q319 WeakPolarHBondContact O-CG 3.01Å; G315-Q319 PolarHBondContact O-N 2.96Å
316	R	96.9	Very high	95.7	Very high	131 Å²	131	34.3 Å²	34.3	49%	0.494	18%	0.183	S	C	.	.	H	α-helix	trans	-62.1	-43.2	175.6	-75.6	-172.8	-65.2	-93.8	-0.2	112	E312 A313 A314 Q319 C320	E312-R316 WeakPolarHBondContact O-CB 3.22Å; E312-R316 WeakPolarHBondContact O-CG 3.43Å; E312-R316 PolarHBondContact O-N 2.87Å; E312-R316 IonicContact OE2-NH1 3.69Å; A313-R316 PolarHBondContact O-N 3.1Å; A314-R316 PolarHBondContact O-N 3.28Å; R316-Q319 PolarHBondContact O-N 3.43Å; R316-C320 PolarHBondContact O-N 3.45Å; R316-C320 VanDerWaalsContact O-N 3.12Å; R316-C320 PolarHBondContact O-SG 3.36Å; R316-C320 VanDerWaalsContact O-SG 3.39Å
317	S	97.6	Very high	96.1	Very high	3 Å²	3	31 Å²	31	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-56.7	-51.9	173.8	-69.5	0	0	0	0	110.9	A313 A314 Q319 C320 G321 R322 A397 T399	A313-S317 PolarHBondContact O-N 2.97Å; A313-S317 PolarHBondContact O-OG 2.92Å; A314-S317 WeakPolarHBondContact O-CB 3.43Å; A314-S317 PolarHBondContact O-N 2.96Å; S317-Q319 PolarHBondContact O-N 3.4Å; S317-C320 PolarHBondContact O-N 3.38Å; S317-C320 VanDerWaalsContact O-N 3.15Å; S317-G321 PolarHBondContact O-N 3.01Å; S317-R322 WeakPolarHBondContact O-CA 3.07Å; S317-R322 VanDerWaalsContact O-CB 3.29Å; S317-R322 WeakPolarHBondContact O-CB 3.27Å; S317-R322 PolarHBondContact O-N 3.24Å; S317-A397 WeakPolarHBondContact CA-O 3.47Å; S317-A397 VanDerWaalsContact CB-O 3.25Å; S317-A397 WeakPolarHBondContact CB-O 2.9Å; S317-A397 PolarHBondContact OG-O 2.73Å; S317-T399 PolarHBondContact OG-N 3.45Å; S317-T399 PolarHBondContact OG-OG1 2.83Å
318	L	96.6	Very high	96.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-37.4	-178.6	-66.3	-168.7	0	0	0	113.3	A314 G315 C320 G321 R322 V324 D353 I354 A490 K494	A314-L318 WeakPolarHBondContact O-CG 3.36Å; A314-L318 PolarHBondContact O-N 3.07Å; G315-L318 PolarHBondContact O-N 3.42Å; L318-C320 VanDerWaalsContact C-N 3.27Å; L318-C320 PolarHBondContact O-N 3.47Å; L318-G321 PolarHBondContact O-N 3.44Å; L318-G321 VanDerWaalsContact O-N 3.12Å; L318-R322 WeakPolarHBondContact CD2-O 3.5Å; L318-V324 HydrophobicContact CD2-CG2 4Å; L318-V324 HydrophobicContact CG-CG2 4.18Å; L318-D353 HydrophobicContact CD2-CB 3.96Å; L318-D353 VanDerWaalsContact CD2-O 3.28Å; L318-D353 WeakPolarHBondContact CD2-O 3.39Å; L318-I354 HydrophobicContact CD1-CD1 4.44Å; L318-I354 HydrophobicContact CD2-CG1 4.46Å; L318-A490 HydrophobicContact CD1-CB 3.67Å; L318-A490 HydrophobicContact CG-CB 4.43Å; L318-K494 HydrophobicContact CB-CB 4.38Å; L318-K494 HydrophobicContact CB-CD 4Å; L318-K494 HydrophobicContact CB-CG 4.27Å; L318-K494 HydrophobicContact CD1-CD 4.5Å; L318-K494 WeakPolarHBondContact O-CE 3.12Å
319	Q	93.3	Very high	96.2	Very high	108 Å²	108	31.3 Å²	31.3	51%	0.505	17%	0.168	S	C	.	.	H	α-helix	trans	-63.8	-33.4	176	-77.6	176.7	-33.1	0	0	112.4	G315 R316 S317 G321 F493	G315-Q319 WeakPolarHBondContact O-CB 3.49Å; G315-Q319 VanDerWaalsContact O-CG 3.27Å; G315-Q319 WeakPolarHBondContact O-CG 3.01Å; G315-Q319 PolarHBondContact O-N 2.96Å; R316-Q319 PolarHBondContact O-N 3.43Å; S317-Q319 PolarHBondContact O-N 3.4Å; Q319-G321 PolarHBondContact O-N 2.94Å; Q319-F493 PolarHBondContact NE2-O 2.84Å
320	C	92.7	Very high	96.2	Very high	93 Å²	93	31 Å²	31	63%	0.628	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	7.4	175.3	-67.9	0	0	0	0	113.5	R316 S317 L318 R322	R316-C320 PolarHBondContact O-N 3.45Å; R316-C320 VanDerWaalsContact O-N 3.12Å; R316-C320 PolarHBondContact O-SG 3.36Å; R316-C320 VanDerWaalsContact O-SG 3.39Å; S317-C320 PolarHBondContact O-N 3.38Å; S317-C320 VanDerWaalsContact O-N 3.15Å; L318-C320 VanDerWaalsContact C-N 3.27Å; L318-C320 PolarHBondContact O-N 3.47Å; C320-R322 VanDerWaalsContact C-N 3.26Å; C320-R322 HydrophobicContact CB-CG 4.17Å; C320-R322 PolarHBondContact O-N 2.9Å
321	G	93	Very high	96.1	Very high	60 Å²	60	31.7 Å²	31.7	62%	0.619	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	25.4	-176.1	0	0	0	0	0	113.5	S317 L318 Q319	S317-G321 PolarHBondContact O-N 3.01Å; L318-G321 PolarHBondContact O-N 3.44Å; L318-G321 VanDerWaalsContact O-N 3.12Å; Q319-G321 PolarHBondContact O-N 2.94Å
322	R	95.9	Very high	96	Very high	107 Å²	107	32.1 Å²	32.1	40%	0.404	18%	0.175	S	C	.	.			trans	-105.9	170.3	179.3	-62.9	-61.4	-173	172.2	1.5	111.2	S317 L318 C320 A397 D398	S317-R322 WeakPolarHBondContact O-CA 3.07Å; S317-R322 VanDerWaalsContact O-CB 3.29Å; S317-R322 WeakPolarHBondContact O-CB 3.27Å; S317-R322 PolarHBondContact O-N 3.24Å; L318-R322 WeakPolarHBondContact CD2-O 3.5Å; C320-R322 VanDerWaalsContact C-N 3.26Å; C320-R322 HydrophobicContact CB-CG 4.17Å; C320-R322 PolarHBondContact O-N 2.9Å; R322-A397 HydrophobicContact CB-CB 4.48Å; R322-A397 WeakPolarHBondContact CB-O 3.26Å; R322-A397 HydrophobicContact CG-CB 3.69Å; R322-D398 WeakPolarHBondContact CB-OD1 3.37Å
323	Q	96.2	Very high	96	Very high	16 Å²	16	28.5 Å²	28.5	8%	0.075	16%	0.159	C	C	.	.			trans	-101.7	160.5	-170.7	66.7	-167.6	-22.8	0	0	113.4	E352 L394 D398 T399	Q323-E352 WeakPolarHBondContact CB-O 3.42Å; Q323-L394 HydrophobicContact CG-CD2 4.34Å; Q323-L394 VanDerWaalsContact NE2-CD2 3.31Å; Q323-D398 HydrophobicContact CG-CB 4.3Å; Q323-D398 WeakPolarHBondContact CG-OD1 3.27Å; Q323-D398 PolarHBondContact N-OD1 3.01Å; Q323-D398 VanDerWaalsContact N-OD1 3.16Å; Q323-T399 PolarHBondContact O-N 3.23Å
324	V	98.5	Very high	96	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.7	167.5	-174.5	0	0	0	0	108.7	A314 L318 Y326 D353 I354 R355 T399	A314-V324 HydrophobicContact CB-CG1 4.42Å; A314-V324 HydrophobicContact CB-CG2 3.9Å; L318-V324 HydrophobicContact CD2-CG2 4Å; L318-V324 HydrophobicContact CG-CG2 4.18Å; V324-Y326 HydrophobicContact CG1-CD1 4.22Å; V324-Y326 HydrophobicContact CG1-CE1 3.72Å; V324-D353 PolarHBondContact N-O 2.69Å; V324-I354 HydrophobicContact CB-CG1 4.09Å; V324-I354 HydrophobicContact CG2-CG1 4.43Å; V324-I354 CarbonylContact O-C 3.49Å; V324-I354 VanDerWaalsContact O-CA 3.29Å; V324-I354 WeakPolarHBondContact O-CA 3.36Å; V324-R355 PolarHBondContact O-N 3.41Å; V324-T399 CarbonylContact C-O 3.54Å; V324-T399 WeakPolarHBondContact CA-O 3.11Å; V324-T399 HydrophobicContact CG1-CG2 4.26Å
325	C	98.4	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.7	179.3	-64.2	0	0	0	0	110.9	R355 F357 F386 T399 V400 L401	C325-R355 CarbonylContact C-O 3.48Å; C325-R355 WeakPolarHBondContact CA-O 3.42Å; C325-F357 HydrophobicContact CB-CE2 4.24Å; C325-F386 HydrophobicContact CB-CD2 4.5Å; C325-F386 HydrophobicContact CB-CE2 4.02Å; C325-T399 PolarHBondContact N-O 2.84Å; C325-V400 HydrophobicContact CB-CG2 4.37Å; C325-V400 CarbonylContact O-C 3.47Å; C325-V400 WeakPolarHBondContact O-CA 3.11Å; C325-L401 PolarHBondContact O-N 3.23Å
326	Y	98.5	Very high	95.9	Very high	1 Å²	1	29 Å²	29	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.8	170	-48.8	-33.3	0	0	0	109.2	V324 G336 D339 A340 I354 R355 G356 F357 L401 L483	V324-Y326 HydrophobicContact CG1-CD1 4.22Å; V324-Y326 HydrophobicContact CG1-CE1 3.72Å; Y326-G336 WeakPolarHBondContact CD2-O 3.49Å; Y326-D339 HydrophobicContact CE2-CB 4.26Å; Y326-D339 WeakPolarHBondContact CE2-OD2 3.48Å; Y326-D339 PolarHBondContact OH-OD2 2.68Å; Y326-A340 HydrophobicContact CD2-CB 4.46Å; Y326-A340 HydrophobicContact CE2-CB 4.42Å; Y326-I354 HydrophobicContact CD2-CG2 4.12Å; Y326-I354 HydrophobicContact CE1-CG2 4.03Å; Y326-I354 HydrophobicContact CE2-CG2 3.44Å; Y326-I354 VanDerWaalsContact CE2-CG2 3.44Å; Y326-I354 VanDerWaalsContact CZ-CG2 3.4Å; Y326-R355 PolarHBondContact N-O 2.69Å; Y326-G356 CarbonylContact O-C 3.56Å; Y326-F357 PolarHBondContact O-N 3.37Å; Y326-L401 CarbonylContact C-O 3.35Å; Y326-L401 WeakPolarHBondContact CA-O 3.33Å; Y326-L401 HydrophobicContact CD1-CB 4.02Å; Y326-L401 HydrophobicContact CD1-CD2 4.01Å; Y326-L401 HydrophobicContact CE1-CD2 4.13Å; Y326-L483 HydrophobicContact CD1-CD2 4.29Å; Y326-L483 HydrophobicContact CD2-CD2 4.17Å; Y326-L483 HydrophobicContact CE1-CD2 4.05Å; Y326-L483 HydrophobicContact CE2-CD2 3.92Å; Y326-L483 HydrophobicContact CG-CD2 4.33Å
327	L	98.3	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.5	172.8	-52.7	-180	0	0	0	107.6	W329 F357 F386 V400 L401 L402 L403 L416 V420	L327-W329 HydrophobicContact CB-CZ3 4.42Å; L327-W329 WeakPolarHBondContact O-CZ3 3.43Å; L327-F357 HydrophobicContact CD2-CB 3.83Å; L327-F357 HydrophobicContact CD2-CD2 3.73Å; L327-F357 HydrophobicContact CD2-CG 4.04Å; L327-F386 HydrophobicContact CD1-CD1 4.06Å; L327-F386 HydrophobicContact CD1-CE1 3.68Å; L327-F386 HydrophobicContact CD1-CE2 4.45Å; L327-F386 HydrophobicContact CD1-CZ 3.89Å; L327-F386 HydrophobicContact CD2-CB 4.12Å; L327-F386 HydrophobicContact CD2-CD1 3.84Å; L327-F386 HydrophobicContact CD2-CD2 3.68Å; L327-F386 HydrophobicContact CD2-CE1 4.15Å; L327-F386 HydrophobicContact CD2-CE2 3.99Å; L327-F386 HydrophobicContact CD2-CG 3.59Å; L327-F386 HydrophobicContact CD2-CZ 4.21Å; L327-V400 HydrophobicContact CD1-CG1 3.73Å; L327-V400 HydrophobicContact CG-CG1 3.98Å; L327-L401 PolarHBondContact N-O 3.44Å; L327-L402 HydrophobicContact CB-CD2 3.86Å; L327-L402 HydrophobicContact CD1-CD2 3.84Å; L327-L402 HydrophobicContact CG-CD2 4.27Å; L327-L402 CarbonylContact O-C 3.55Å; L327-L402 WeakPolarHBondContact O-CA 3.42Å; L327-L403 PolarHBondContact O-N 2.76Å; L327-L416 HydrophobicContact CD1-CD2 3.96Å; L327-L416 HydrophobicContact CD1-CG 4.14Å; L327-V420 HydrophobicContact CD1-CG2 4.05Å
328	G	96.8	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.5	-170.8	0	0	0	0	0	115.2	F357 V358 S359 H383 L403	G328-F357 PolarHBondContact N-O 3.02Å; G328-V358 WeakPolarHBondContact O-CA 3.24Å; G328-S359 PolarHBondContact O-N 2.97Å; G328-H383 PolarHBondContact N-NE2 3.14Å; G328-H383 PolarHBondContact O-NE2 3.39Å; G328-L403 WeakPolarHBondContact CA-O 3.46Å
329	W	95.1	Very high	95.9	Very high	15 Å²	15	23.8 Å²	23.8	6%	0.057	14%	0.143	C	C	.	.			trans	-111.2	142.6	179.2	-71.7	-106.9	0	0	0	110.8	L327 S331 L332 G333 H383 L402 L403 D408 V413 L416	L327-W329 HydrophobicContact CB-CZ3 4.42Å; L327-W329 WeakPolarHBondContact O-CZ3 3.43Å; W329-S331 PolarHBondContact O-N 2.82Å; W329-L332 WeakPolarHBondContact O-CB 3.31Å; W329-L332 PolarHBondContact O-N 3.31Å; W329-L332 VanDerWaalsContact O-N 3.15Å; W329-G333 PolarHBondContact O-N 3Å; W329-H383 AromaticContact CD2-CE1 3.92Å; W329-H383 AromaticContact CE2-CE1 3.62Å; W329-H383 AromaticContact CH2-CE1 3.87Å; W329-H383 AromaticContact CZ2-CE1 3.59Å; W329-L402 HydrophobicContact CH2-CD2 4.42Å; W329-L402 HydrophobicContact CZ3-CB 4.38Å; W329-L402 HydrophobicContact CZ3-CD2 4.41Å; W329-L403 PolarHBondContact N-O 3.27Å; W329-D408 HydrophobicContact CB-CB 4.15Å; W329-D408 WeakPolarHBondContact CB-OD1 3.2Å; W329-D408 HydrophobicContact CG-CB 4.33Å; W329-V413 HydrophobicContact CD2-CG2 3.87Å; W329-V413 HydrophobicContact CE3-CG2 4.13Å; W329-V413 HydrophobicContact CH2-CB 4.15Å; W329-V413 HydrophobicContact CH2-CG1 4.07Å; W329-V413 HydrophobicContact CH2-CG2 3.81Å; W329-V413 HydrophobicContact CZ2-CB 4.06Å; W329-V413 HydrophobicContact CZ2-CG1 4.48Å; W329-V413 HydrophobicContact CZ2-CG2 3.51Å; W329-V413 HydrophobicContact CZ3-CG1 4.38Å; W329-V413 HydrophobicContact CZ3-CG2 4.11Å; W329-L416 HydrophobicContact CH2-CD2 3.87Å; W329-L416 HydrophobicContact CZ2-CD2 4Å
330	G	92.6	Very high	96	Very high	28 Å²	28	19.2 Å²	19.2	29%	0.289	12%	0.124	S	C	.	.	H	α-helix	trans	51.6	-136	179.4	0	0	0	0	0	113.6	L332 G333 L334	G330-L332 PolarHBondContact O-N 3.01Å; G330-G333 PolarHBondContact O-N 3.36Å; G330-L334 PolarHBondContact O-N 2.92Å
331	S	93.7	Very high	96.1	Very high	22 Å²	22	15.2 Å²	15.2	15%	0.154	10%	0.097	C	C	.	.	H	α-helix	trans	-67.4	-21	-179.7	58.6	0	0	0	0	113.8	W329 L334 L335 E476	W329-S331 PolarHBondContact O-N 2.82Å; S331-L334 PolarHBondContact O-N 3.24Å; S331-L335 PolarHBondContact O-N 3.43Å; S331-L335 VanDerWaalsContact O-N 3.09Å; S331-E476 WeakPolarHBondContact CB-OE1 3.32Å; S331-E476 WeakPolarHBondContact OG-CG 3.16Å; S331-E476 PolarHBondContact OG-OE1 3.21Å
332	L	94.9	Very high	96	Very high	9 Å²	9	13 Å²	13	5%	0.047	7%	0.07	C	C	.	.	H	α-helix	trans	-71.5	-37.3	176.6	-52.6	-171.3	0	0	0	111.4	W329 G330 L334 L335 G336 L403 E476 T479	W329-L332 WeakPolarHBondContact O-CB 3.31Å; W329-L332 PolarHBondContact O-N 3.31Å; W329-L332 VanDerWaalsContact O-N 3.15Å; G330-L332 PolarHBondContact O-N 3.01Å; L332-L334 VanDerWaalsContact C-N 3.35Å; L332-L335 HydrophobicContact CD2-CD1 4.47Å; L332-L335 PolarHBondContact O-N 2.88Å; L332-G336 PolarHBondContact O-N 3.26Å; L332-L403 HydrophobicContact CB-CB 4.1Å; L332-E476 HydrophobicContact CD2-CG 4.14Å; L332-T479 HydrophobicContact CD2-CG2 4.41Å; L332-T479 WeakPolarHBondContact CD2-OG1 3.45Å
333	G	95.7	Very high	95.9	Very high	1 Å²	1	8 Å²	8	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-63.3	-39.9	171.8	0	0	0	0	0	112.8	W329 G330 L335 G336 L337	W329-G333 PolarHBondContact O-N 3Å; G330-G333 PolarHBondContact O-N 3.36Å; G333-L335 VanDerWaalsContact C-N 3.34Å; G333-L335 PolarHBondContact O-N 3.29Å; G333-G336 WeakPolarHBondContact O-CA 3.5Å; G333-G336 PolarHBondContact O-N 2.93Å; G333-G336 VanDerWaalsContact O-N 3.11Å; G333-L337 PolarHBondContact O-N 3.13Å
334	L	95.8	Very high	95.6	Very high	7 Å²	7	10.4 Å²	10.4	4%	0.037	6%	0.062	C	C	.	.	H	α-helix	trans	-63.5	-38.4	174	-179.2	54.8	0	0	0	112.2	F113 F114 G330 S331 L332 G336 L337 I338 L365	F113-L334 HydrophobicContact CD1-CD1 4.2Å; F113-L334 HydrophobicContact CD1-CD2 4.02Å; F113-L334 HydrophobicContact CE1-CD1 3.74Å; F113-L334 HydrophobicContact CE1-CD2 3.6Å; F113-L334 HydrophobicContact CE1-CG 4.33Å; F113-L334 HydrophobicContact CZ-CD2 4.5Å; F114-L334 HydrophobicContact CB-CD2 4.38Å; F114-L334 HydrophobicContact CD2-CB 4.34Å; F114-L334 HydrophobicContact CD2-CD2 3.54Å; F114-L334 HydrophobicContact CD2-CG 3.79Å; F114-L334 HydrophobicContact CE2-CB 4.43Å; F114-L334 HydrophobicContact CE2-CD2 4.25Å; F114-L334 HydrophobicContact CE2-CG 4.37Å; F114-L334 HydrophobicContact CG-CD2 4.38Å; G330-L334 PolarHBondContact O-N 2.92Å; S331-L334 PolarHBondContact O-N 3.24Å; L332-L334 VanDerWaalsContact C-N 3.35Å; L334-G336 VanDerWaalsContact C-N 3.29Å; L334-G336 PolarHBondContact O-N 2.98Å; L334-L337 HydrophobicContact CD1-CB 4.46Å; L334-L337 HydrophobicContact CD1-CD1 4.32Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 2.65Å; L334-I338 HydrophobicContact CD1-CG1 4.39Å; L334-I338 HydrophobicContact CG-CD1 4.31Å; L334-I338 VanDerWaalsContact O-CG1 3.3Å; L334-I338 WeakPolarHBondContact O-CG1 3.48Å; L334-I338 PolarHBondContact O-N 2.82Å; L334-L365 HydrophobicContact CB-CD2 4.29Å; L334-L365 HydrophobicContact CD1-CD2 3.9Å; L334-L365 HydrophobicContact CD2-CD2 4.43Å; L334-L365 HydrophobicContact CG-CD2 4.42Å
335	L	96.8	Very high	95	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-63.7	-35.7	172.5	-71.5	170	0	0	0	112.6	F114 S331 L332 G333 I338 D339 E476 T479 K480 L483	F114-L335 HydrophobicContact CD2-CD2 4.25Å; F114-L335 HydrophobicContact CD2-CG 4.46Å; F114-L335 HydrophobicContact CE2-CD1 4.4Å; F114-L335 HydrophobicContact CE2-CD2 3.87Å; F114-L335 HydrophobicContact CE2-CG 3.72Å; F114-L335 HydrophobicContact CZ-CD1 4.31Å; F114-L335 HydrophobicContact CZ-CD2 4.09Å; F114-L335 HydrophobicContact CZ-CG 4.06Å; S331-L335 PolarHBondContact O-N 3.43Å; S331-L335 VanDerWaalsContact O-N 3.09Å; L332-L335 HydrophobicContact CD2-CD1 4.47Å; L332-L335 PolarHBondContact O-N 2.88Å; G333-L335 VanDerWaalsContact C-N 3.34Å; G333-L335 PolarHBondContact O-N 3.29Å; L335-I338 PolarHBondContact O-N 2.6Å; L335-D339 PolarHBondContact O-N 2.73Å; L335-E476 HydrophobicContact CD1-CB 3.75Å; L335-E476 HydrophobicContact CD1-CG 4.19Å; L335-E476 WeakPolarHBondContact CD1-O 3.38Å; L335-T479 HydrophobicContact CB-CG2 4.46Å; L335-T479 HydrophobicContact CD1-CG2 4.29Å; L335-K480 HydrophobicContact CD2-CB 4.38Å; L335-L483 HydrophobicContact CB-CD1 4.24Å
336	G	97.3	Very high	94.5	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-57.8	-48.2	170.5	0	0	0	0	0	112.2	Y326 L332 G333 L334 I338 D339 A340	Y326-G336 WeakPolarHBondContact CD2-O 3.49Å; L332-G336 PolarHBondContact O-N 3.26Å; G333-G336 WeakPolarHBondContact O-CA 3.5Å; G333-G336 PolarHBondContact O-N 2.93Å; G333-G336 VanDerWaalsContact O-N 3.11Å; L334-G336 VanDerWaalsContact C-N 3.29Å; L334-G336 PolarHBondContact O-N 2.98Å; G336-I338 VanDerWaalsContact C-N 3.35Å; G336-I338 PolarHBondContact O-N 3.1Å; G336-D339 PolarHBondContact O-N 3.27Å; G336-A340 WeakPolarHBondContact O-CB 3.47Å; G336-A340 PolarHBondContact O-N 3.44Å
337	L	96.3	Very high	94.2	Very high	9 Å²	9	11.1 Å²	11.1	5%	0.047	7%	0.067	C	C	.	.	H	α-helix	trans	-59.7	-44.2	175.5	-69.5	168.2	0	0	0	111.9	F144 G333 L334 S341 G356 V358 L365 I381	F144-L337 HydrophobicContact CD1-CD1 4.46Å; F144-L337 HydrophobicContact CD1-CD2 4.48Å; F144-L337 HydrophobicContact CE1-CD1 4.13Å; G333-L337 PolarHBondContact O-N 3.13Å; L334-L337 HydrophobicContact CD1-CB 4.46Å; L334-L337 HydrophobicContact CD1-CD1 4.32Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 2.65Å; L337-S341 WeakPolarHBondContact O-CB 3.35Å; L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 3Å; L337-G356 VanDerWaalsContact CD2-C 3.43Å; L337-G356 WeakPolarHBondContact CD2-O 3.43Å; L337-V358 HydrophobicContact CD1-CB 4.1Å; L337-V358 HydrophobicContact CD1-CG1 3.92Å; L337-L365 HydrophobicContact CD1-CD1 4.11Å; L337-L365 HydrophobicContact CD1-CD2 4.41Å; L337-I381 HydrophobicContact CD1-CD1 4.31Å; L337-I381 HydrophobicContact CD2-CB 3.98Å; L337-I381 HydrophobicContact CD2-CG2 3.8Å
338	I	96.2	Very high	93.7	Very high	13 Å²	13	11.7 Å²	11.7	7%	0.067	7%	0.072	C	C	.	.	H	α-helix	trans	-61.8	-51.2	178.2	-66	175.8	0	0	0	110.4	T107 R110 F114 L334 L335 G336 A340 S341 E342	T107-I338 HydrophobicContact CG2-CG2 4.36Å; R110-I338 HydrophobicContact CB-CD1 4.1Å; R110-I338 HydrophobicContact CB-CG1 3.98Å; R110-I338 HydrophobicContact CB-CG2 4.19Å; F114-I338 HydrophobicContact CB-CD1 4.1Å; F114-I338 HydrophobicContact CD2-CD1 4.18Å; F114-I338 HydrophobicContact CG-CD1 4.45Å; L334-I338 HydrophobicContact CD1-CG1 4.39Å; L334-I338 HydrophobicContact CG-CD1 4.31Å; L334-I338 VanDerWaalsContact O-CG1 3.3Å; L334-I338 WeakPolarHBondContact O-CG1 3.48Å; L334-I338 PolarHBondContact O-N 2.82Å; L335-I338 PolarHBondContact O-N 2.6Å; G336-I338 VanDerWaalsContact C-N 3.35Å; G336-I338 PolarHBondContact O-N 3.1Å; I338-A340 PolarHBondContact O-N 2.87Å; I338-S341 PolarHBondContact O-N 3.41Å; I338-S341 PolarHBondContact O-OG 3.34Å; I338-E342 WeakPolarHBondContact O-CG 3.34Å; I338-E342 PolarHBondContact O-N 3.19Å
339	D	97.8	Very high	93.3	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-44.6	-179.8	-176.9	73.7	0	0	0	112.4	R257 Y326 L335 G336 S341 E342 C343 L483 N484 S487	R257-D339 IonicContact CZ-OD1 3.6Å; R257-D339 IonicContact NH1-OD1 3.74Å; R257-D339 PolarHBondContact NH1-OD1 3.47Å; Y326-D339 HydrophobicContact CE2-CB 4.26Å; Y326-D339 WeakPolarHBondContact CE2-OD2 3.48Å; Y326-D339 PolarHBondContact OH-OD2 2.68Å; L335-D339 PolarHBondContact O-N 2.73Å; G336-D339 PolarHBondContact O-N 3.27Å; D339-S341 PolarHBondContact O-N 2.84Å; D339-E342 PolarHBondContact O-N 3.36Å; D339-C343 PolarHBondContact O-SG 2.91Å; D339-L483 HydrophobicContact CB-CB 3.88Å; D339-L483 HydrophobicContact CB-CD1 4.19Å; D339-N484 PolarHBondContact OD1-N 3.42Å; D339-N484 PolarHBondContact OD1-ND2 2.86Å; D339-S487 VanDerWaalsContact CG-OG 3.32Å; D339-S487 PolarHBondContact OD1-OG 3.12Å; D339-S487 WeakPolarHBondContact OD2-CB 3.31Å; D339-S487 PolarHBondContact OD2-OG 2.93Å
340	A	96.5	Very high	93.1	Very high	12 Å²	12	14.4 Å²	14.4	10%	0.099	9%	0.088	C	C	.	.	H	α-helix	trans	-59.2	-46.6	177.4	0	0	0	0	0	112.1	Y326 G336 I338 E342 C343 I354	Y326-A340 HydrophobicContact CD2-CB 4.46Å; Y326-A340 HydrophobicContact CE2-CB 4.42Å; G336-A340 WeakPolarHBondContact O-CB 3.47Å; G336-A340 PolarHBondContact O-N 3.44Å; I338-A340 PolarHBondContact O-N 2.87Å; A340-E342 PolarHBondContact O-N 3.45Å; A340-E342 VanDerWaalsContact O-N 3.09Å; A340-C343 WeakPolarHBondContact O-CB 3.25Å; A340-C343 PolarHBondContact O-N 3.22Å; A340-I354 HydrophobicContact CB-CG2 4.04Å
341	S	93.4	Very high	92.9	Very high	9 Å²	9	16 Å²	16	6%	0.063	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-23.1	-177.9	73.8	0	0	0	0	114.2	R110 L337 I338 D339 P345	R110-S341 VanDerWaalsContact CD-OG 3.23Å; R110-S341 WeakPolarHBondContact CD-OG 3.5Å; R110-S341 VanDerWaalsContact CZ-OG 3.28Å; R110-S341 PolarHBondContact NE-OG 3.01Å; L337-S341 WeakPolarHBondContact O-CB 3.35Å; L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 3Å; I338-S341 PolarHBondContact O-N 3.41Å; I338-S341 PolarHBondContact O-OG 3.34Å; D339-S341 PolarHBondContact O-N 2.84Å; S341-P345 WeakPolarHBondContact O-CD 3.39Å
342	E	91.8	Very high	92.9	Very high	13 Å²	13	17.3 Å²	17.3	6%	0.061	9%	0.092	C	C	.	.	H	α-helix	trans	-85.9	-14.3	179.4	-59.2	-61.6	170.7	0	0	113.8	T107 R110 R257 I338 D339 A340 K344 P345 T346	T107-E342 WeakPolarHBondContact CA-OE1 3.43Å; T107-E342 WeakPolarHBondContact CB-OE1 3.41Å; T107-E342 PolarHBondContact N-OE1 3.12Å; T107-E342 PolarHBondContact OG1-OE1 3.35Å; T107-E342 PolarHBondContact OG1-OE2 3.04Å; R110-E342 IonicContact CZ-OE1 2.73Å; R110-E342 IonicContact NH1-OE1 2.9Å; R110-E342 PolarHBondContact NH1-OE1 2.89Å; R110-E342 IonicContact NH1-OE2 3.61Å; R110-E342 PolarHBondContact NH1-OE2 3.3Å; R257-E342 HydrophobicContact CB-CG 4.1Å; I338-E342 WeakPolarHBondContact O-CG 3.34Å; I338-E342 PolarHBondContact O-N 3.19Å; D339-E342 PolarHBondContact O-N 3.36Å; A340-E342 PolarHBondContact O-N 3.45Å; A340-E342 VanDerWaalsContact O-N 3.09Å; E342-K344 VanDerWaalsContact C-N 3.33Å; E342-K344 PolarHBondContact O-N 2.72Å; E342-P345 VanDerWaalsContact O-CD 3.32Å; E342-P345 WeakPolarHBondContact O-CD 3.18Å; E342-P345 WeakPolarHBondContact O-CG 3.49Å; E342-T346 WeakPolarHBondContact O-CB 3.49Å; E342-T346 PolarHBondContact O-N 3.12Å; E342-T346 VanDerWaalsContact O-N 3.16Å; E342-T346 PolarHBondContact O-OG1 3.44Å
343	C	93.3	Very high	92.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-65.6	-39.7	-176.8	-67.3	0	0	0	0	111.4	D339 A340 F347 A349	D339-C343 PolarHBondContact O-SG 2.91Å; A340-C343 WeakPolarHBondContact O-CB 3.25Å; A340-C343 PolarHBondContact O-N 3.22Å; C343-F347 HydrophobicContact CB-CD2 4.39Å; C343-F347 WeakPolarHBondContact O-CB 3.33Å; C343-F347 PolarHBondContact O-N 3.24Å; C343-A349 HydrophobicContact CB-CB 4.04Å; C343-A349 WeakPolarHBondContact O-CB 3.48Å
344	K	89.2	Confident	93	Very high	67 Å²	67	18 Å²	18	29%	0.291	10%	0.095	S	C	.	.	H	α-helix	trans	-59.6	-57.4	178.3	-179.5	176	-175	178.7	0	113.1	E342 T346 G348	E342-K344 VanDerWaalsContact C-N 3.33Å; E342-K344 PolarHBondContact O-N 2.72Å; K344-T346 PolarHBondContact O-N 2.86Å; K344-G348 WeakPolarHBondContact O-CA 3.34Å; K344-G348 PolarHBondContact O-N 2.87Å
345	P	86.2	Confident	93	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.039	10%	0.097	C	C	.	.	H	α-helix	trans	-68.9	-32.7	-179.1	25.8	-34.5	0	0	0	113.4	E148 S341 E342 Q506	E148-P345 WeakPolarHBondContact OE1-CB 3.36Å; S341-P345 WeakPolarHBondContact O-CD 3.39Å; E342-P345 VanDerWaalsContact O-CD 3.32Å; E342-P345 WeakPolarHBondContact O-CD 3.18Å; E342-P345 WeakPolarHBondContact O-CG 3.49Å; P345-Q506 PolarHBondContact O-N 3.34Å
346	T	88.6	Confident	93.1	Very high	11 Å²	11	18.7 Å²	18.7	7%	0.067	10%	0.099	C	C	.	.	H	α-helix	trans	-76.3	-43.8	-176.3	-53.5	0	0	0	0	112.4	E342 K344 M502	E342-T346 WeakPolarHBondContact O-CB 3.49Å; E342-T346 PolarHBondContact O-N 3.12Å; E342-T346 VanDerWaalsContact O-N 3.16Å; E342-T346 PolarHBondContact O-OG1 3.44Å; K344-T346 PolarHBondContact O-N 2.86Å; T346-M502 HydrophobicContact CG2-CG 4.05Å; T346-M502 HydrophobicContact CG2-SD 3.43Å; T346-M502 WeakPolarHBondContact CG2-SD 3.45Å; T346-M502 WeakPolarHBondContact O-CG 3.32Å; T346-M502 VanDerWaalsContact O-SD 3.41Å
347	F	91	Very high	93.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-119.8	6.4	-168.9	-54.1	-63.4	0	0	0	113.8	C343 A349 T488 H491 K496 V497 D504	C343-F347 HydrophobicContact CB-CD2 4.39Å; C343-F347 WeakPolarHBondContact O-CB 3.33Å; C343-F347 PolarHBondContact O-N 3.24Å; F347-A349 HydrophobicContact CB-CB 4.48Å; F347-A349 PolarHBondContact O-N 3.02Å; F347-A349 VanDerWaalsContact O-N 3.16Å; F347-T488 HydrophobicContact CZ-CG2 4.18Å; F347-H491 HydrophobicContact CB-CB 4.1Å; F347-H491 VanDerWaalsContact CB-CD2 3.49Å; F347-H491 WeakPolarHBondContact CB-CD2 3.28Å; F347-H491 HydrophobicContact CD1-CB 3.72Å; F347-H491 HydrophobicContact CD2-CB 3.67Å; F347-H491 AromaticContact CD2-CD2 3.71Å; F347-H491 AromaticContact CD2-CE1 3.96Å; F347-H491 AromaticContact CD2-CG 3.36Å; F347-H491 AromaticContact CD2-ND1 3.55Å; F347-H491 HydrophobicContact CE1-CB 3.99Å; F347-H491 HydrophobicContact CE2-CB 3.95Å; F347-H491 AromaticContact CE2-CG 3.91Å; F347-H491 AromaticContact CE2-ND1 3.84Å; F347-H491 HydrophobicContact CG-CB 3.56Å; F347-H491 AromaticContact CG-CD2 3.74Å; F347-H491 AromaticContact CG-CG 3.58Å; F347-H491 HydrophobicContact CZ-CB 4.1Å; F347-K496 HydrophobicContact CB-CB 4.02Å; F347-K496 HydrophobicContact CB-CG 4.26Å; F347-K496 HydrophobicContact CD1-CB 4.24Å; F347-K496 WeakPolarHBondContact O-CD 3.36Å; F347-V497 HydrophobicContact CD1-CG2 4.32Å; F347-V497 HydrophobicContact CE1-CG2 4.07Å; F347-D504 CarbonylContact C-O 3.58Å
348	G	87.8	Confident	93.1	Very high	11 Å²	11	18.2 Å²	18.2	11%	0.113	10%	0.096	C	C	.	.			trans	59.8	26.5	-173.1	0	0	0	0	0	111.9	K344 D504	K344-G348 WeakPolarHBondContact O-CA 3.34Å; K344-G348 PolarHBondContact O-N 2.87Å; G348-D504 WeakPolarHBondContact CA-O 3.35Å; G348-D504 PolarHBondContact N-O 3.06Å
349	A	90.1	Very high	93.1	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.033	11%	0.107	C	C	.	.			trans	-66	152.2	-175	0	0	0	0	0	111.2	C343 F347 D353 H491	C343-A349 HydrophobicContact CB-CB 4.04Å; C343-A349 WeakPolarHBondContact O-CB 3.48Å; F347-A349 HydrophobicContact CB-CB 4.48Å; F347-A349 PolarHBondContact O-N 3.02Å; F347-A349 VanDerWaalsContact O-N 3.16Å; A349-D353 WeakPolarHBondContact CA-OD2 2.88Å; A349-D353 HydrophobicContact CB-CB 4.18Å; A349-D353 WeakPolarHBondContact CB-OD2 2.94Å; A349-H491 WeakPolarHBondContact CB-NE2 3.42Å
350	D	89.2	Confident	92.9	Very high	69 Å²	69	21.8 Å²	21.8	37%	0.369	13%	0.13	S	C	.	.			trans	-70.1	151.2	164.6	-156.8	-69.5	0	0	0	109.5	E352 D353	D350-E352 PolarHBondContact O-N 3.24Å; D350-E352 PolarHBondContact OD1-N 3.26Å; D350-E352 VanDerWaalsContact OD1-N 3.12Å; D350-D353 PolarHBondContact N-OD2 3.37Å; D350-D353 WeakPolarHBondContact O-CB 3.34Å; D350-D353 PolarHBondContact O-N 3.29Å
351	H	89.3	Confident	92.8	Very high	62 Å²	62	21.4 Å²	21.4	29%	0.287	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.2	174.8	76.5	-62.8	0	0	0	112.7	R355	H351-R355 WeakPolarHBondContact O-CG 3.32Å
352	E	92.8	Very high	92.9	Very high	49 Å²	49	21.9 Å²	21.9	23%	0.229	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.9	174.7	-64.9	-73.3	116.2	0	0	112.9	Q323 D350 I354 R355 R393	Q323-E352 WeakPolarHBondContact CB-O 3.42Å; D350-E352 PolarHBondContact O-N 3.24Å; D350-E352 PolarHBondContact OD1-N 3.26Å; D350-E352 VanDerWaalsContact OD1-N 3.12Å; E352-I354 PolarHBondContact O-N 3.27Å; E352-R355 WeakPolarHBondContact OE1-CD 3.1Å; E352-R355 IonicContact OE1-CZ 3.7Å; E352-R355 IonicContact OE1-NE 2.73Å; E352-R355 IonicContact OE1-NH1 2.75Å; E352-R355 PolarHBondContact OE1-NH1 3.19Å; E352-R393 IonicContact OE2-NH2 3.84Å
353	D	95.1	Very high	92.9	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.091	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-50.3	-178.6	-78.5	-19.3	0	0	0	110.9	L318 V324 A349 D350 K494	L318-D353 HydrophobicContact CD2-CB 3.96Å; L318-D353 VanDerWaalsContact CD2-O 3.28Å; L318-D353 WeakPolarHBondContact CD2-O 3.39Å; V324-D353 PolarHBondContact N-O 2.69Å; A349-D353 WeakPolarHBondContact CA-OD2 2.88Å; A349-D353 HydrophobicContact CB-CB 4.18Å; A349-D353 WeakPolarHBondContact CB-OD2 2.94Å; D350-D353 PolarHBondContact N-OD2 3.37Å; D350-D353 WeakPolarHBondContact O-CB 3.34Å; D350-D353 PolarHBondContact O-N 3.29Å; D353-K494 IonicContact OD1-NZ 2.61Å; D353-K494 PolarHBondContact OD1-NZ 2.99Å; D353-K494 IonicContact OD2-NZ 2.69Å; D353-K494 PolarHBondContact OD2-NZ 3.11Å
354	I	97.8	Very high	92.5	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.4	175	-55	-164.3	0	0	0	109.1	L318 V324 Y326 A340 E352	L318-I354 HydrophobicContact CD1-CD1 4.44Å; L318-I354 HydrophobicContact CD2-CG1 4.46Å; V324-I354 HydrophobicContact CB-CG1 4.09Å; V324-I354 HydrophobicContact CG2-CG1 4.43Å; V324-I354 CarbonylContact O-C 3.49Å; V324-I354 VanDerWaalsContact O-CA 3.29Å; V324-I354 WeakPolarHBondContact O-CA 3.36Å; Y326-I354 HydrophobicContact CD2-CG2 4.12Å; Y326-I354 HydrophobicContact CE1-CG2 4.03Å; Y326-I354 HydrophobicContact CE2-CG2 3.44Å; Y326-I354 VanDerWaalsContact CE2-CG2 3.44Å; Y326-I354 VanDerWaalsContact CZ-CG2 3.4Å; A340-I354 HydrophobicContact CB-CG2 4.04Å; E352-I354 PolarHBondContact O-N 3.27Å
355	R	97.6	Very high	92.5	Very high	21 Å²	21	32.5 Å²	32.5	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.5	177.6	-69.9	-170.3	60.1	162.4	2	112	V324 C325 Y326 H351 E352 F357 P377 S380	V324-R355 PolarHBondContact O-N 3.41Å; C325-R355 CarbonylContact C-O 3.48Å; C325-R355 WeakPolarHBondContact CA-O 3.42Å; Y326-R355 PolarHBondContact N-O 2.69Å; H351-R355 WeakPolarHBondContact O-CG 3.32Å; E352-R355 WeakPolarHBondContact OE1-CD 3.1Å; E352-R355 IonicContact OE1-CZ 3.7Å; E352-R355 IonicContact OE1-NE 2.73Å; E352-R355 IonicContact OE1-NH1 2.75Å; E352-R355 PolarHBondContact OE1-NH1 3.19Å; R355-F357 HydrophobicContact CB-CE2 3.65Å; R355-F357 HydrophobicContact CB-CZ 3.91Å; R355-P377 PolarHBondContact NH1-O 3.3Å; R355-P377 PolarHBondContact NH2-O 3.48Å; R355-S380 PolarHBondContact NH2-O 3.47Å
356	G	97.1	Very high	92.6	Very high	6 Å²	6	34.7 Å²	34.7	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.2	171	0	0	0	0	0	111.7	Y326 L337	Y326-G356 CarbonylContact O-C 3.56Å; L337-G356 VanDerWaalsContact CD2-C 3.43Å; L337-G356 WeakPolarHBondContact CD2-O 3.43Å
357	F	98	Very high	93	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.6	173.6	-55.4	-90.4	0	0	0	109.7	C325 Y326 L327 G328 R355 S380 I381 S382 F386 V390	C325-F357 HydrophobicContact CB-CE2 4.24Å; Y326-F357 PolarHBondContact O-N 3.37Å; L327-F357 HydrophobicContact CD2-CB 3.83Å; L327-F357 HydrophobicContact CD2-CD2 3.73Å; L327-F357 HydrophobicContact CD2-CG 4.04Å; G328-F357 PolarHBondContact N-O 3.02Å; R355-F357 HydrophobicContact CB-CE2 3.65Å; R355-F357 HydrophobicContact CB-CZ 3.91Å; F357-S380 WeakPolarHBondContact CE1-O 3.34Å; F357-I381 CarbonylContact C-O 3.56Å; F357-I381 WeakPolarHBondContact CA-O 3.29Å; F357-S382 WeakPolarHBondContact CD1-O 3.47Å; F357-F386 HydrophobicContact CB-CB 4.45Å; F357-F386 HydrophobicContact CD1-CB 3.71Å; F357-F386 HydrophobicContact CD2-CB 4.17Å; F357-F386 HydrophobicContact CD2-CD2 4.01Å; F357-F386 HydrophobicContact CD2-CG 4.43Å; F357-F386 HydrophobicContact CE1-CB 3.93Å; F357-F386 HydrophobicContact CE2-CB 4.38Å; F357-F386 AromaticContact CE2-CD2 3.83Å; F357-F386 HydrophobicContact CE2-CD2 3.83Å; F357-F386 HydrophobicContact CG-CB 3.84Å; F357-F386 HydrophobicContact CZ-CB 4.27Å; F357-F386 HydrophobicContact CZ-CD2 4.2Å; F357-V390 HydrophobicContact CE1-CG2 4.36Å; F357-V390 HydrophobicContact CZ-CG2 3.75Å
358	V	96.5	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.7	-177.4	67.7	0	0	0	0	111	G328 L337 G360 G361 L365 I381 S382 H383	G328-V358 WeakPolarHBondContact O-CA 3.24Å; L337-V358 HydrophobicContact CD1-CB 4.1Å; L337-V358 HydrophobicContact CD1-CG1 3.92Å; V358-G360 PolarHBondContact O-N 2.62Å; V358-G361 PolarHBondContact O-N 2.97Å; V358-G361 VanDerWaalsContact O-N 3.17Å; V358-L365 HydrophobicContact CG1-CD1 4.48Å; V358-L365 HydrophobicContact CG1-CD2 4.23Å; V358-L365 HydrophobicContact CG1-CG 4.25Å; V358-I381 PolarHBondContact N-O 2.86Å; V358-S382 WeakPolarHBondContact O-CA 3.39Å; V358-H383 PolarHBondContact O-N 3.33Å
359	S	96.1	Very high	93.4	Very high	43 Å²	43	44.4 Å²	44.4	30%	0.301	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	128.7	170.9	-168.1	0	0	0	0	110.6	G328 G361 E364	G328-S359 PolarHBondContact O-N 2.97Å; S359-G361 VanDerWaalsContact C-N 3.3Å; S359-G361 PolarHBondContact O-N 2.87Å; S359-E364 WeakPolarHBondContact O-CB 3.44Å
360	G	93.3	Very high	93.7	Very high	49 Å²	49	45.6 Å²	45.6	51%	0.505	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-4.7	-179.4	0	0	0	0	0	116.3	V358 K363	V358-G360 PolarHBondContact O-N 2.62Å; G360-K363 WeakPolarHBondContact O-CB 3.49Å; G360-K363 PolarHBondContact O-N 3.39Å
361	G	95.3	Very high	94	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-142.8	175.4	0	0	0	0	0	114	V358 S359 K363 E364 L365	V358-G361 PolarHBondContact O-N 2.97Å; V358-G361 VanDerWaalsContact O-N 3.17Å; S359-G361 VanDerWaalsContact C-N 3.3Å; S359-G361 PolarHBondContact O-N 2.87Å; G361-K363 PolarHBondContact O-N 3.4Å; G361-K363 VanDerWaalsContact O-N 3.15Å; G361-E364 PolarHBondContact O-N 3.43Å; G361-E364 VanDerWaalsContact O-N 3.1Å; G361-L365 PolarHBondContact O-N 3.21Å
362	Y	95	Very high	94.3	Very high	20 Å²	20	45.1 Å²	45.1	8%	0.078	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-28.8	-178.9	-72.4	-73.4	0	0	0	114.5	F144 E364 L365 G366 N367 G370 D371 L372 T373 F379 I381	F144-Y362 HydrophobicContact CD2-CE1 4.19Å; F144-Y362 HydrophobicContact CE2-CD1 4.46Å; F144-Y362 AromaticContact CE2-CE1 3.48Å; F144-Y362 HydrophobicContact CE2-CE1 3.48Å; F144-Y362 VanDerWaalsContact CE2-CE1 3.48Å; F144-Y362 HydrophobicContact CZ-CD1 4.41Å; F144-Y362 AromaticContact CZ-CE1 3.71Å; F144-Y362 HydrophobicContact CZ-CE1 3.71Å; Y362-E364 VanDerWaalsContact C-N 3.28Å; Y362-E364 PolarHBondContact O-N 2.93Å; Y362-L365 PolarHBondContact O-N 3.35Å; Y362-G366 PolarHBondContact O-N 3.24Å; Y362-N367 WeakPolarHBondContact CD1-OD1 3.46Å; Y362-G370 WeakPolarHBondContact CD1-O 3.33Å; Y362-D371 HydrophobicContact CD2-CB 4.19Å; Y362-D371 WeakPolarHBondContact CD2-OD1 3.37Å; Y362-D371 WeakPolarHBondContact CE2-OD1 3.47Å; Y362-D371 HydrophobicContact CG-CB 4.32Å; Y362-L372 HydrophobicContact CE1-CB 4.07Å; Y362-L372 HydrophobicContact CE1-CD1 4.45Å; Y362-L372 HydrophobicContact CE1-CG 4.12Å; Y362-L372 HydrophobicContact CE2-CB 4.45Å; Y362-T373 WeakPolarHBondContact CE2-OG1 3.33Å; Y362-F379 VanDerWaalsContact CE2-O 3.25Å; Y362-F379 WeakPolarHBondContact CE2-O 3.42Å; Y362-F379 WeakPolarHBondContact OH-CB 3.45Å; Y362-F379 PolarHBondContact OH-O 3.04Å; Y362-I381 HydrophobicContact CD1-CD1 3.97Å; Y362-I381 HydrophobicContact CD2-CD1 4.18Å; Y362-I381 HydrophobicContact CD2-CG1 4.16Å; Y362-I381 HydrophobicContact CE1-CD1 3.65Å; Y362-I381 HydrophobicContact CE1-CG1 4.41Å; Y362-I381 HydrophobicContact CE2-CD1 3.86Å; Y362-I381 HydrophobicContact CE2-CG1 3.72Å; Y362-I381 HydrophobicContact CG-CD1 4.21Å
363	K	91.4	Very high	94.4	Very high	199 Å²	199	44.6 Å²	44.6	87%	0.865	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-36.8	177.9	-175.3	-177.6	175.2	-174.6	0	112	G360 G361	G360-K363 WeakPolarHBondContact O-CB 3.49Å; G360-K363 PolarHBondContact O-N 3.39Å; G361-K363 PolarHBondContact O-N 3.4Å; G361-K363 VanDerWaalsContact O-N 3.15Å
364	E	85.9	Confident	94.3	Very high	100 Å²	100	52.4 Å²	52.4	47%	0.467	30%	0.298	S	S	.	.	H	α-helix	trans	-80.8	-30.1	178.9	-170.1	62.5	-157.6	0	0	111.9	S359 G361 Y362	S359-E364 WeakPolarHBondContact O-CB 3.44Å; G361-E364 PolarHBondContact O-N 3.43Å; G361-E364 VanDerWaalsContact O-N 3.1Å; Y362-E364 VanDerWaalsContact C-N 3.28Å; Y362-E364 PolarHBondContact O-N 2.93Å
365	L	89.2	Confident	94	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-71.3	-40.5	-177.7	-68	-170.7	0	0	0	113.1	F113 F144 L334 L337 V358 G361 Y362 N367 I381	F113-L365 HydrophobicContact CZ-CB 4.18Å; F113-L365 WeakPolarHBondContact CZ-O 3.32Å; F144-L365 HydrophobicContact CE1-CD1 3.49Å; F144-L365 VanDerWaalsContact CE1-CD1 3.49Å; F144-L365 HydrophobicContact CZ-CD1 3.48Å; F144-L365 VanDerWaalsContact CZ-CD1 3.48Å; L334-L365 HydrophobicContact CB-CD2 4.29Å; L334-L365 HydrophobicContact CD1-CD2 3.9Å; L334-L365 HydrophobicContact CD2-CD2 4.43Å; L334-L365 HydrophobicContact CG-CD2 4.42Å; L337-L365 HydrophobicContact CD1-CD1 4.11Å; L337-L365 HydrophobicContact CD1-CD2 4.41Å; V358-L365 HydrophobicContact CG1-CD1 4.48Å; V358-L365 HydrophobicContact CG1-CD2 4.23Å; V358-L365 HydrophobicContact CG1-CG 4.25Å; G361-L365 PolarHBondContact O-N 3.21Å; Y362-L365 PolarHBondContact O-N 3.35Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 3.42Å; L365-I381 HydrophobicContact CD1-CD1 3.4Å
366	G	88.3	Confident	93.8	Very high	53 Å²	53	55.2 Å²	55.2	55%	0.546	32%	0.318	S	S	.	.			trans	62.4	38.6	179.3	0	0	0	0	0	113.3	Y362	Y362-G366 PolarHBondContact O-N 3.24Å
367	N	95.3	Very high	93.5	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.064	34%	0.341	C	S	.	.			trans	-72.9	156.8	173.3	67.1	-74.2	0	0	0	111.3	F113 Y134 D140 L143 Y362 L365 E369 G370	F113-N367 HydrophobicContact CE2-CB 4Å; F113-N367 HydrophobicContact CZ-CB 4.2Å; Y134-N367 WeakPolarHBondContact OH-CA 3.41Å; D140-N367 VanDerWaalsContact OD2-CB 3.25Å; D140-N367 WeakPolarHBondContact OD2-CB 3.25Å; D140-N367 PolarHBondContact OD2-ND2 3.42Å; L143-N367 HydrophobicContact CD1-CB 3.91Å; Y362-N367 WeakPolarHBondContact CD1-OD1 3.46Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 3.42Å; N367-E369 PolarHBondContact O-N 3.41Å; N367-G370 PolarHBondContact ND2-N 3.37Å; N367-G370 PolarHBondContact ND2-O 3.48Å; N367-G370 PolarHBondContact O-N 2.92Å; N367-G370 PolarHBondContact OD1-O 3.4Å
368	N	94.5	Very high	93.1	Very high	110 Å²	110	61.8 Å²	61.8	59%	0.588	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-35.1	-170.1	-66.6	-28.8	0	0	0	114.4	Y134 D140	Y134-N368 VanDerWaalsContact CE1-ND2 3.32Å; Y134-N368 WeakPolarHBondContact CE1-ND2 3.3Å; Y134-N368 PolarHBondContact OH-N 2.92Å; Y134-N368 PolarHBondContact OH-ND2 3.21Å; D140-N368 WeakPolarHBondContact OD2-CA 3.34Å; D140-N368 PolarHBondContact OD2-N 3.4Å
369	E	94.8	Very high	93	Very high	104 Å²	104	61.9 Å²	61.9	49%	0.486	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.5	-175.7	-63.3	177.1	-146.5	0	0	112.9	D140 N367 L372	D140-E369 HydrophobicContact CB-CB 3.95Å; D140-E369 HydrophobicContact CB-CG 3.98Å; D140-E369 PolarHBondContact N-OE1 3.31Å; D140-E369 WeakPolarHBondContact OD2-CB 3.49Å; D140-E369 PolarHBondContact OD2-N 3.45Å; N367-E369 PolarHBondContact O-N 3.41Å; E369-L372 HydrophobicContact CB-CD2 4.1Å
370	G	94.8	Very high	93	Very high	29 Å²	29	61 Å²	61	30%	0.299	35%	0.349	S	S	.	.			trans	71.4	-146.4	178.9	0	0	0	0	0	113.6	Y362 N367 L372	Y362-G370 WeakPolarHBondContact CD1-O 3.33Å; N367-G370 PolarHBondContact ND2-N 3.37Å; N367-G370 PolarHBondContact ND2-O 3.48Å; N367-G370 PolarHBondContact O-N 2.92Å; N367-G370 PolarHBondContact OD1-O 3.4Å; G370-L372 PolarHBondContact O-N 2.95Å
371	D	95.9	Very high	93.2	Very high	109 Å²	109	58.9 Å²	58.9	58%	0.583	33%	0.326	S	S	*	.			trans	-72.1	120.8	-175.3	-170.5	-19.4	0	0	0	111.9	Y362 T373	Y362-D371 HydrophobicContact CD2-CB 4.19Å; Y362-D371 WeakPolarHBondContact CD2-OD1 3.37Å; Y362-D371 WeakPolarHBondContact CE2-OD1 3.47Å; Y362-D371 HydrophobicContact CG-CB 4.32Å; D371-T373 WeakPolarHBondContact OD1-CB 3.39Å; D371-T373 PolarHBondContact OD1-N 3.26Å; D371-T373 PolarHBondContact OD1-OG1 3.47Å
372	L	96.3	Very high	93.3	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.058	33%	0.331	C	S	.	.			trans	-105.7	7.8	-179.8	-53.5	179.8	0	0	0	113.5	D140 F144 Y362 E369 G370 L374 M375 F379	D140-L372 HydrophobicContact CB-CD1 3.96Å; F144-L372 HydrophobicContact CD2-CD1 4.25Å; F144-L372 HydrophobicContact CE2-CD1 4.16Å; Y362-L372 HydrophobicContact CE1-CB 4.07Å; Y362-L372 HydrophobicContact CE1-CD1 4.45Å; Y362-L372 HydrophobicContact CE1-CG 4.12Å; Y362-L372 HydrophobicContact CE2-CB 4.45Å; E369-L372 HydrophobicContact CB-CD2 4.1Å; G370-L372 PolarHBondContact O-N 2.95Å; L372-L374 PolarHBondContact O-N 3.14Å; L372-L374 VanDerWaalsContact O-N 3.07Å; L372-M375 HydrophobicContact CB-CG 4.41Å; L372-M375 HydrophobicContact CB-SD 4.1Å; L372-M375 HydrophobicContact CD1-SD 4.48Å; L372-M375 HydrophobicContact CD2-SD 3.97Å; L372-M375 HydrophobicContact CG-SD 4.42Å; L372-M375 VanDerWaalsContact O-CB 3.25Å; L372-M375 WeakPolarHBondContact O-CB 3.19Å; L372-M375 WeakPolarHBondContact O-CG 3.24Å; L372-M375 PolarHBondContact O-N 3.19Å; L372-F379 HydrophobicContact CB-CB 4.3Å; L372-F379 HydrophobicContact CB-CD1 3.99Å; L372-F379 HydrophobicContact CB-CG 4.3Å; L372-F379 HydrophobicContact CD1-CD1 4.33Å; L372-F379 WeakPolarHBondContact O-CB 3.47Å
373	T	93.9	Very high	93.4	Very high	39 Å²	39	59.5 Å²	59.5	24%	0.239	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35.4	-174.8	-54.8	0	0	0	0	112.6	Y362 D371 M375 G376	Y362-T373 WeakPolarHBondContact CE2-OG1 3.33Å; D371-T373 WeakPolarHBondContact OD1-CB 3.39Å; D371-T373 PolarHBondContact OD1-N 3.26Å; D371-T373 PolarHBondContact OD1-OG1 3.47Å; T373-M375 PolarHBondContact O-N 3.07Å; T373-M375 VanDerWaalsContact O-N 3.13Å; T373-G376 PolarHBondContact O-N 3.29Å
374	L	93.4	Very high	93.7	Very high	181 Å²	181	55.3 Å²	55.3	95%	0.948	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-69	-8.4	179.5	-64.8	179.8	0	0	0	114.3	L372 G376	L372-L374 PolarHBondContact O-N 3.14Å; L372-L374 VanDerWaalsContact O-N 3.07Å; L374-G376 VanDerWaalsContact C-N 3.34Å
375	M	92	Very high	94.3	Very high	64 Å²	64	52.4 Å²	52.4	32%	0.315	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-80.6	-15	179.1	-67.4	-170.4	30	0	0	114.1	R141 L372 T373 F379	R141-M375 HydrophobicContact CB-CE 4.18Å; R141-M375 VanDerWaalsContact CD-CE 3.41Å; R141-M375 HydrophobicContact CG-CE 3.52Å; R141-M375 HydrophobicContact CG-SD 3.89Å; R141-M375 PolarHBondContact NE-SD 3.4Å; R141-M375 VanDerWaalsContact NH2-CE 3.34Å; R141-M375 PolarHBondContact NH2-SD 3.44Å; R141-M375 VanDerWaalsContact NH2-SD 3.41Å; L372-M375 HydrophobicContact CB-CG 4.41Å; L372-M375 HydrophobicContact CB-SD 4.1Å; L372-M375 HydrophobicContact CD1-SD 4.48Å; L372-M375 HydrophobicContact CD2-SD 3.97Å; L372-M375 HydrophobicContact CG-SD 4.42Å; L372-M375 VanDerWaalsContact O-CB 3.25Å; L372-M375 WeakPolarHBondContact O-CB 3.19Å; L372-M375 WeakPolarHBondContact O-CG 3.24Å; L372-M375 PolarHBondContact O-N 3.19Å; T373-M375 PolarHBondContact O-N 3.07Å; T373-M375 VanDerWaalsContact O-N 3.13Å; M375-F379 HydrophobicContact CB-CD2 3.48Å; M375-F379 VanDerWaalsContact CB-CD2 3.48Å; M375-F379 HydrophobicContact CB-CE2 3.75Å; M375-F379 HydrophobicContact CB-CG 4.03Å; M375-F379 HydrophobicContact CE-CD2 4.23Å; M375-F379 HydrophobicContact CE-CE1 3.97Å; M375-F379 HydrophobicContact CE-CE2 3.57Å; M375-F379 HydrophobicContact CE-CZ 3.45Å; M375-F379 VanDerWaalsContact CE-CZ 3.45Å
376	G	92.1	Very high	94.7	Very high	21 Å²	21	52.1 Å²	52.1	22%	0.216	30%	0.304	C	S	.	.			trans	146.4	171.1	177.6	0	0	0	0	0	113.3	T373 L374 E378 F379	T373-G376 PolarHBondContact O-N 3.29Å; L374-G376 VanDerWaalsContact C-N 3.34Å; G376-E378 PolarHBondContact O-N 2.9Å; G376-E378 VanDerWaalsContact O-N 3.15Å; G376-F379 WeakPolarHBondContact O-CB 3.27Å; G376-F379 PolarHBondContact O-N 3.08Å
377	P	91	Very high	95.2	Very high	83 Å²	83	50.6 Å²	50.6	54%	0.539	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-62.9	-24.2	-174	25.7	-35.2	0	0	0	113.9	R355 F379 S380	R355-P377 PolarHBondContact NH1-O 3.3Å; R355-P377 PolarHBondContact NH2-O 3.48Å; P377-F379 PolarHBondContact O-N 2.61Å; P377-S380 PolarHBondContact O-N 3.02Å
378	E	89.9	Confident	95.2	Very high	63 Å²	63	56.2 Å²	56.2	29%	0.294	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-70.2	-14.4	175.3	65.2	-166.9	-163.5	0	0	113.5	G376	G376-E378 PolarHBondContact O-N 2.9Å; G376-E378 VanDerWaalsContact O-N 3.15Å
379	F	95.3	Very high	95.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-100.3	-1.7	176.4	-60.6	-79.8	0	0	0	112.9	R141 F144 Y362 L372 M375 G376 P377 I381	R141-F379 HydrophobicContact CB-CE1 4.48Å; F144-F379 HydrophobicContact CB-CD1 4.11Å; F144-F379 HydrophobicContact CB-CE1 4.21Å; F144-F379 HydrophobicContact CD2-CD1 4.09Å; F144-F379 HydrophobicContact CD2-CE1 4.39Å; F144-F379 HydrophobicContact CG-CD1 4.49Å; Y362-F379 VanDerWaalsContact CE2-O 3.25Å; Y362-F379 WeakPolarHBondContact CE2-O 3.42Å; Y362-F379 WeakPolarHBondContact OH-CB 3.45Å; Y362-F379 PolarHBondContact OH-O 3.04Å; L372-F379 HydrophobicContact CB-CB 4.3Å; L372-F379 HydrophobicContact CB-CD1 3.99Å; L372-F379 HydrophobicContact CB-CG 4.3Å; L372-F379 HydrophobicContact CD1-CD1 4.33Å; L372-F379 WeakPolarHBondContact O-CB 3.47Å; M375-F379 HydrophobicContact CB-CD2 3.48Å; M375-F379 VanDerWaalsContact CB-CD2 3.48Å; M375-F379 HydrophobicContact CB-CE2 3.75Å; M375-F379 HydrophobicContact CB-CG 4.03Å; M375-F379 HydrophobicContact CE-CD2 4.23Å; M375-F379 HydrophobicContact CE-CE1 3.97Å; M375-F379 HydrophobicContact CE-CE2 3.57Å; M375-F379 HydrophobicContact CE-CZ 3.45Å; M375-F379 VanDerWaalsContact CE-CZ 3.45Å; G376-F379 WeakPolarHBondContact O-CB 3.27Å; G376-F379 PolarHBondContact O-N 3.08Å; P377-F379 PolarHBondContact O-N 2.61Å; F379-I381 PolarHBondContact O-N 3.46Å
380	S	96.1	Very high	95.3	Very high	25 Å²	25	47.4 Å²	47.4	18%	0.175	28%	0.276	C	S	.	.			trans	-79.1	99.8	170.8	-54.9	0	0	0	0	109.2	R355 F357 P377	R355-S380 PolarHBondContact NH2-O 3.47Å; F357-S380 WeakPolarHBondContact CE1-O 3.34Å; P377-S380 PolarHBondContact O-N 3.02Å
381	I	96.6	Very high	95.5	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	27%	0.265	C	S	.	.			trans	-123.6	-1.6	-166.1	60.7	165	0	0	0	114	F144 L337 F357 V358 Y362 L365 F379 D385	F144-I381 HydrophobicContact CD1-CD1 4.19Å; F144-I381 HydrophobicContact CD1-CG2 4.22Å; F144-I381 HydrophobicContact CE1-CD1 3.72Å; F144-I381 HydrophobicContact CZ-CD1 4.02Å; L337-I381 HydrophobicContact CD1-CD1 4.31Å; L337-I381 HydrophobicContact CD2-CB 3.98Å; L337-I381 HydrophobicContact CD2-CG2 3.8Å; F357-I381 CarbonylContact C-O 3.56Å; F357-I381 WeakPolarHBondContact CA-O 3.29Å; V358-I381 PolarHBondContact N-O 2.86Å; Y362-I381 HydrophobicContact CD1-CD1 3.97Å; Y362-I381 HydrophobicContact CD2-CD1 4.18Å; Y362-I381 HydrophobicContact CD2-CG1 4.16Å; Y362-I381 HydrophobicContact CE1-CD1 3.65Å; Y362-I381 HydrophobicContact CE1-CG1 4.41Å; Y362-I381 HydrophobicContact CE2-CD1 3.86Å; Y362-I381 HydrophobicContact CE2-CG1 3.72Å; Y362-I381 HydrophobicContact CG-CD1 4.21Å; L365-I381 HydrophobicContact CD1-CD1 3.4Å; F379-I381 PolarHBondContact O-N 3.46Å; I381-D385 PolarHBondContact N-OD2 2.65Å; I381-D385 VanDerWaalsContact N-OD2 3.08Å
382	S	97.6	Very high	95.6	Very high	18 Å²	18	45 Å²	45	13%	0.126	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-81.3	162.6	178.4	71.5	0	0	0	0	111.9	F357 V358 D384 D385 F386	F357-S382 WeakPolarHBondContact CD1-O 3.47Å; V358-S382 WeakPolarHBondContact O-CA 3.39Å; S382-D384 PolarHBondContact O-N 3.19Å; S382-D384 PolarHBondContact OG-N 3.24Å; S382-D385 VanDerWaalsContact CB-OD2 3.31Å; S382-D385 WeakPolarHBondContact CB-OD2 3.32Å; S382-D385 PolarHBondContact N-OD2 3.16Å; S382-D385 WeakPolarHBondContact O-CB 3.32Å; S382-D385 PolarHBondContact O-N 2.6Å; S382-D385 PolarHBondContact OG-N 3.01Å; S382-D385 PolarHBondContact OG-OD2 3.42Å; S382-F386 PolarHBondContact O-N 3.35Å; S382-F386 VanDerWaalsContact O-N 3.14Å
383	H	98.1	Very high	95.6	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-33	168.4	-72.3	171	0	0	0	112.3	G328 W329 V358 F386 L387 L416	G328-H383 PolarHBondContact N-NE2 3.14Å; G328-H383 PolarHBondContact O-NE2 3.39Å; W329-H383 AromaticContact CD2-CE1 3.92Å; W329-H383 AromaticContact CE2-CE1 3.62Å; W329-H383 AromaticContact CH2-CE1 3.87Å; W329-H383 AromaticContact CZ2-CE1 3.59Å; V358-H383 PolarHBondContact O-N 3.33Å; H383-F386 WeakPolarHBondContact O-CB 3.43Å; H383-F386 PolarHBondContact O-N 3.29Å; H383-L387 WeakPolarHBondContact O-CG 3.47Å; H383-L387 PolarHBondContact O-N 2.87Å; H383-L416 HydrophobicContact CB-CD2 4.49Å
384	D	97.4	Very high	95.7	Very high	111 Å²	111	49.8 Å²	49.8	59%	0.594	27%	0.274	S	S	*	.	H	α-helix	trans	-65.4	-41.9	176.4	-64.6	-29.5	0	0	0	111	S382 F386 L387 D388	S382-D384 PolarHBondContact O-N 3.19Å; S382-D384 PolarHBondContact OG-N 3.24Å; D384-F386 VanDerWaalsContact C-N 3.27Å; D384-F386 PolarHBondContact O-N 3.05Å; D384-L387 WeakPolarHBondContact O-CB 3.31Å; D384-L387 PolarHBondContact O-N 2.63Å; D384-D388 WeakPolarHBondContact O-CB 3.49Å; D384-D388 PolarHBondContact O-N 3.08Å
385	D	97.4	Very high	95.8	Very high	38 Å²	38	43.3 Å²	43.3	20%	0.203	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-40.4	172.3	-65.8	-52.6	0	0	0	112.4	I381 S382 G389	I381-D385 PolarHBondContact N-OD2 2.65Å; I381-D385 VanDerWaalsContact N-OD2 3.08Å; S382-D385 VanDerWaalsContact CB-OD2 3.31Å; S382-D385 WeakPolarHBondContact CB-OD2 3.32Å; S382-D385 PolarHBondContact N-OD2 3.16Å; S382-D385 WeakPolarHBondContact O-CB 3.32Å; S382-D385 PolarHBondContact O-N 2.6Å; S382-D385 PolarHBondContact OG-N 3.01Å; S382-D385 PolarHBondContact OG-OD2 3.42Å; D385-G389 VanDerWaalsContact O-CA 3.29Å; D385-G389 WeakPolarHBondContact O-CA 3.42Å; D385-G389 PolarHBondContact O-N 3.46Å
386	F	98.2	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-64.1	-45.3	174	168.6	-95	0	0	0	111.3	C325 L327 F357 S382 H383 D384 D388 V390 L391 L394 V420	C325-F386 HydrophobicContact CB-CD2 4.5Å; C325-F386 HydrophobicContact CB-CE2 4.02Å; L327-F386 HydrophobicContact CD1-CD1 4.06Å; L327-F386 HydrophobicContact CD1-CE1 3.68Å; L327-F386 HydrophobicContact CD1-CE2 4.45Å; L327-F386 HydrophobicContact CD1-CZ 3.89Å; L327-F386 HydrophobicContact CD2-CB 4.12Å; L327-F386 HydrophobicContact CD2-CD1 3.84Å; L327-F386 HydrophobicContact CD2-CD2 3.68Å; L327-F386 HydrophobicContact CD2-CE1 4.15Å; L327-F386 HydrophobicContact CD2-CE2 3.99Å; L327-F386 HydrophobicContact CD2-CG 3.59Å; L327-F386 HydrophobicContact CD2-CZ 4.21Å; F357-F386 HydrophobicContact CB-CB 4.45Å; F357-F386 HydrophobicContact CD1-CB 3.71Å; F357-F386 HydrophobicContact CD2-CB 4.17Å; F357-F386 HydrophobicContact CD2-CD2 4.01Å; F357-F386 HydrophobicContact CD2-CG 4.43Å; F357-F386 HydrophobicContact CE1-CB 3.93Å; F357-F386 HydrophobicContact CE2-CB 4.38Å; F357-F386 AromaticContact CE2-CD2 3.83Å; F357-F386 HydrophobicContact CE2-CD2 3.83Å; F357-F386 HydrophobicContact CG-CB 3.84Å; F357-F386 HydrophobicContact CZ-CB 4.27Å; F357-F386 HydrophobicContact CZ-CD2 4.2Å; S382-F386 PolarHBondContact O-N 3.35Å; S382-F386 VanDerWaalsContact O-N 3.14Å; H383-F386 WeakPolarHBondContact O-CB 3.43Å; H383-F386 PolarHBondContact O-N 3.29Å; D384-F386 VanDerWaalsContact C-N 3.27Å; D384-F386 PolarHBondContact O-N 3.05Å; F386-D388 VanDerWaalsContact C-N 3.34Å; F386-D388 PolarHBondContact O-N 3.48Å; F386-V390 HydrophobicContact CD2-CB 3.63Å; F386-V390 HydrophobicContact CD2-CG1 3.79Å; F386-V390 HydrophobicContact CD2-CG2 4.34Å; F386-V390 HydrophobicContact CE2-CB 4.02Å; F386-V390 HydrophobicContact CE2-CG1 3.74Å; F386-V390 HydrophobicContact CG-CB 4.38Å; F386-V390 CarbonylContact O-C 3.5Å; F386-V390 WeakPolarHBondContact O-CA 3.13Å; F386-V390 WeakPolarHBondContact O-CB 3.02Å; F386-V390 PolarHBondContact O-N 2.94Å; F386-L391 HydrophobicContact CD1-CB 4.4Å; F386-L391 HydrophobicContact CE1-CB 3.99Å; F386-L391 HydrophobicContact CE1-CD1 4.17Å; F386-L391 HydrophobicContact CZ-CB 4.3Å; F386-L391 HydrophobicContact CZ-CD1 4.31Å; F386-L391 PolarHBondContact O-N 3.07Å; F386-L394 HydrophobicContact CE2-CD1 4.02Å; F386-L394 HydrophobicContact CZ-CD1 3.67Å; F386-V420 HydrophobicContact CE1-CG2 3.8Å; F386-V420 HydrophobicContact CZ-CG2 3.94Å
387	L	97.9	Very high	96.1	Very high	20 Å²	20	46 Å²	46	11%	0.105	26%	0.258	C	S	.	.	I	π-helix	trans	-64.2	-38.3	-177.8	-71.8	171	0	0	0	112.6	H383 D384 L391 P392 L416	H383-L387 WeakPolarHBondContact O-CG 3.47Å; H383-L387 PolarHBondContact O-N 2.87Å; D384-L387 WeakPolarHBondContact O-CB 3.31Å; D384-L387 PolarHBondContact O-N 2.63Å; L387-L391 HydrophobicContact CD2-CD2 3.54Å; L387-P392 WeakPolarHBondContact O-CD 3.35Å; L387-L416 HydrophobicContact CD1-CD1 4.49Å; L387-L416 HydrophobicContact CD2-CD1 3.48Å; L387-L416 VanDerWaalsContact CD2-CD1 3.48Å; L387-L416 HydrophobicContact CG-CD1 4.18Å
388	D	96.6	Very high	96.4	Very high	131 Å²	131	42.2 Å²	42.2	70%	0.701	23%	0.233	S	C	*	.	I	π-helix	trans	-88.1	-41.1	-176.9	-67.2	-16.2	0	0	0	111.6	D384 F386	D384-D388 WeakPolarHBondContact O-CB 3.49Å; D384-D388 PolarHBondContact O-N 3.08Å; F386-D388 VanDerWaalsContact C-N 3.34Å; F386-D388 PolarHBondContact O-N 3.48Å
389	G	94.8	Very high	96.8	Very high	27 Å²	27	39.2 Å²	39.2	28%	0.278	22%	0.219	S	C	.	.	I	π-helix	trans	-90.1	-44.6	-173.4	0	0	0	0	0	113.7	D385 R393	D385-G389 VanDerWaalsContact O-CA 3.29Å; D385-G389 WeakPolarHBondContact O-CA 3.42Å; D385-G389 PolarHBondContact O-N 3.46Å; G389-R393 PolarHBondContact O-NH1 2.73Å; G389-R393 PolarHBondContact O-NH2 2.74Å
390	V	96.9	Very high	96.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	22%	0.219	C	C	.	.	I	π-helix	trans	-106.1	-47.9	-165.2	-179.2	0	0	0	0	112.6	F357 F386 P392 R393 L394	F357-V390 HydrophobicContact CE1-CG2 4.36Å; F357-V390 HydrophobicContact CZ-CG2 3.75Å; F386-V390 HydrophobicContact CD2-CB 3.63Å; F386-V390 HydrophobicContact CD2-CG1 3.79Å; F386-V390 HydrophobicContact CD2-CG2 4.34Å; F386-V390 HydrophobicContact CE2-CB 4.02Å; F386-V390 HydrophobicContact CE2-CG1 3.74Å; F386-V390 HydrophobicContact CG-CB 4.38Å; F386-V390 CarbonylContact O-C 3.5Å; F386-V390 WeakPolarHBondContact O-CA 3.13Å; F386-V390 WeakPolarHBondContact O-CB 3.02Å; F386-V390 PolarHBondContact O-N 2.94Å; V390-P392 VanDerWaalsContact C-N 3.33Å; V390-R393 PolarHBondContact O-N 3.29Å; V390-L394 HydrophobicContact CG1-CD2 4.13Å; V390-L394 HydrophobicContact CG1-CG 4.4Å; V390-L394 PolarHBondContact O-N 2.89Å
391	L	98.1	Very high	97	Very high	13 Å²	13	38 Å²	38	7%	0.068	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-51.1	-41.4	-177.3	179.7	67.4	0	0	0	113.7	F386 L387 R393 L394 R419 V420 K423	F386-L391 HydrophobicContact CD1-CB 4.4Å; F386-L391 HydrophobicContact CE1-CB 3.99Å; F386-L391 HydrophobicContact CE1-CD1 4.17Å; F386-L391 HydrophobicContact CZ-CB 4.3Å; F386-L391 HydrophobicContact CZ-CD1 4.31Å; F386-L391 PolarHBondContact O-N 3.07Å; L387-L391 HydrophobicContact CD2-CD2 3.54Å; L391-R393 PolarHBondContact O-N 3.5Å; L391-L394 HydrophobicContact CD1-CD1 4.03Å; L391-L394 PolarHBondContact O-N 3.11Å; L391-R419 HydrophobicContact CD2-CB 4.23Å; L391-V420 HydrophobicContact CD1-CG2 4.2Å; L391-K423 HydrophobicContact CD1-CB 4.36Å; L391-K423 HydrophobicContact CD1-CG 3.75Å; L391-K423 HydrophobicContact CG-CG 4.32Å
392	P	97.9	Very high	97	Very high	75 Å²	75	37.8 Å²	37.8	49%	0.487	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-64.4	-23.1	179.9	-23.6	36.3	0	0	0	113.9	L387 V390	L387-P392 WeakPolarHBondContact O-CD 3.35Å; V390-P392 VanDerWaalsContact C-N 3.33Å
393	R	96	Very high	96.9	Very high	140 Å²	140	37 Å²	37	53%	0.528	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-97.8	-6	-178.4	-58.4	-164.1	-60.6	-89.7	-4.5	113.9	E352 G389 V390 L391	E352-R393 IonicContact OE2-NH2 3.84Å; G389-R393 PolarHBondContact O-NH1 2.73Å; G389-R393 PolarHBondContact O-NH2 2.74Å; V390-R393 PolarHBondContact O-N 3.29Å; L391-R393 PolarHBondContact O-N 3.5Å
394	L	96.8	Very high	96.5	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.052	20%	0.2	C	C	.	.			trans	-65.6	146.7	179.4	-71	-177.1	0	0	0	112.2	Q323 F386 V390 L391 D398 V400 K423	Q323-L394 HydrophobicContact CG-CD2 4.34Å; Q323-L394 VanDerWaalsContact NE2-CD2 3.31Å; F386-L394 HydrophobicContact CE2-CD1 4.02Å; F386-L394 HydrophobicContact CZ-CD1 3.67Å; V390-L394 HydrophobicContact CG1-CD2 4.13Å; V390-L394 HydrophobicContact CG1-CG 4.4Å; V390-L394 PolarHBondContact O-N 2.89Å; L391-L394 HydrophobicContact CD1-CD1 4.03Å; L391-L394 PolarHBondContact O-N 3.11Å; L394-D398 HydrophobicContact CD2-CB 3.62Å; L394-V400 HydrophobicContact CD1-CG2 3.86Å; L394-K423 HydrophobicContact CB-CB 3.83Å
395	T	95.9	Very high	96	Very high	45 Å²	45	31.3 Å²	31.3	28%	0.276	18%	0.175	S	C	.	.			trans	-134.1	167.4	177.8	68.5	0	0	0	0	109.8	A397 D398 K423 T424	T395-A397 PolarHBondContact O-N 3.32Å; T395-A397 PolarHBondContact OG1-N 2.85Å; T395-D398 WeakPolarHBondContact CA-OD2 3.45Å; T395-D398 WeakPolarHBondContact CB-OD2 3.34Å; T395-D398 PolarHBondContact N-OD2 2.8Å; T395-D398 WeakPolarHBondContact O-CB 3.49Å; T395-D398 PolarHBondContact O-N 2.94Å; T395-D398 PolarHBondContact OG1-OD2 2.88Å; T395-K423 CarbonylContact C-O 3.49Å; T395-T424 VanDerWaalsContact O-CB 3.3Å; T395-T424 WeakPolarHBondContact O-CB 3.31Å; T395-T424 PolarHBondContact O-OG1 3.35Å
396	D	94.1	Very high	95.3	Very high	103 Å²	103	32 Å²	32	55%	0.551	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.3	174.7	-83.2	-49.1	0	0	0	114.6	T424 S425	D396-T424 WeakPolarHBondContact OD1-CA 3.43Å; D396-S425 WeakPolarHBondContact OD1-CB 3.5Å; D396-S425 PolarHBondContact OD1-N 3.19Å; D396-S425 PolarHBondContact OD1-OG 3.18Å
397	A	95.8	Very high	94.6	Very high	39 Å²	39	35.3 Å²	35.3	32%	0.322	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.8	175.7	0	0	0	0	0	113.1	S317 R322 T395	S317-A397 WeakPolarHBondContact CA-O 3.47Å; S317-A397 VanDerWaalsContact CB-O 3.25Å; S317-A397 WeakPolarHBondContact CB-O 2.9Å; S317-A397 PolarHBondContact OG-O 2.73Å; R322-A397 HydrophobicContact CB-CB 4.48Å; R322-A397 WeakPolarHBondContact CB-O 3.26Å; R322-A397 HydrophobicContact CG-CB 3.69Å; T395-A397 PolarHBondContact O-N 3.32Å; T395-A397 PolarHBondContact OG1-N 2.85Å
398	D	97.6	Very high	94.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	21%	0.205	C	C	.	.	S	Bend	trans	-91.7	143	176.6	-56.1	-71.9	0	0	0	111	R322 Q323 L394 T395 T424 N426	R322-D398 WeakPolarHBondContact CB-OD1 3.37Å; Q323-D398 HydrophobicContact CG-CB 4.3Å; Q323-D398 WeakPolarHBondContact CG-OD1 3.27Å; Q323-D398 PolarHBondContact N-OD1 3.01Å; Q323-D398 VanDerWaalsContact N-OD1 3.16Å; L394-D398 HydrophobicContact CD2-CB 3.62Å; T395-D398 WeakPolarHBondContact CA-OD2 3.45Å; T395-D398 WeakPolarHBondContact CB-OD2 3.34Å; T395-D398 PolarHBondContact N-OD2 2.8Å; T395-D398 WeakPolarHBondContact O-CB 3.49Å; T395-D398 PolarHBondContact O-N 2.94Å; T395-D398 PolarHBondContact OG1-OD2 2.88Å; D398-T424 PolarHBondContact O-OG1 2.84Å; D398-N426 WeakPolarHBondContact O-CB 3.35Å
399	T	97.7	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.6	177.4	-60.5	0	0	0	0	110.3	L310 A313 S317 Q323 V324 C325 N426	L310-T399 HydrophobicContact CD1-CG2 4.34Å; A313-T399 PolarHBondContact O-OG1 3.23Å; S317-T399 PolarHBondContact OG-N 3.45Å; S317-T399 PolarHBondContact OG-OG1 2.83Å; Q323-T399 PolarHBondContact O-N 3.23Å; V324-T399 CarbonylContact C-O 3.54Å; V324-T399 WeakPolarHBondContact CA-O 3.11Å; V324-T399 HydrophobicContact CG1-CG2 4.26Å; C325-T399 PolarHBondContact N-O 2.84Å; T399-N426 WeakPolarHBondContact CA-O 3.28Å; T399-N426 PolarHBondContact OG1-ND2 2.74Å
400	V	97.9	Very high	93.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.8	171.4	-177.6	0	0	0	0	110.3	C325 L327 L394 L402 V420 T424 N426 I427 H428	C325-V400 HydrophobicContact CB-CG2 4.37Å; C325-V400 CarbonylContact O-C 3.47Å; C325-V400 WeakPolarHBondContact O-CA 3.11Å; L327-V400 HydrophobicContact CD1-CG1 3.73Å; L327-V400 HydrophobicContact CG-CG1 3.98Å; L394-V400 HydrophobicContact CD1-CG2 3.86Å; V400-L402 HydrophobicContact CG1-CD2 4.37Å; V400-V420 HydrophobicContact CB-CG1 3.84Å; V400-V420 HydrophobicContact CG1-CG1 3.99Å; V400-V420 HydrophobicContact CG1-CG2 4.44Å; V400-V420 HydrophobicContact CG2-CG1 3.71Å; V400-T424 HydrophobicContact CG2-CG2 4.06Å; V400-N426 PolarHBondContact N-O 3.03Å; V400-I427 HydrophobicContact CB-CG1 4.32Å; V400-I427 HydrophobicContact CG1-CG1 4.49Å; V400-I427 CarbonylContact O-C 3.6Å; V400-I427 WeakPolarHBondContact O-CA 3.34Å; V400-H428 PolarHBondContact O-N 3.03Å
401	L	97.3	Very high	92.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.1	178	176.5	63.4	0	0	0	110.5	L310 C325 Y326 L327 L403 H428 A430 L482 L483	L310-L401 HydrophobicContact CD1-CD1 4.38Å; L310-L401 HydrophobicContact CD2-CD1 3.75Å; L310-L401 HydrophobicContact CD2-CD2 3.98Å; L310-L401 HydrophobicContact CD2-CG 4.47Å; C325-L401 PolarHBondContact O-N 3.23Å; Y326-L401 CarbonylContact C-O 3.35Å; Y326-L401 WeakPolarHBondContact CA-O 3.33Å; Y326-L401 HydrophobicContact CD1-CB 4.02Å; Y326-L401 HydrophobicContact CD1-CD2 4.01Å; Y326-L401 HydrophobicContact CE1-CD2 4.13Å; L327-L401 PolarHBondContact N-O 3.44Å; L401-L403 HydrophobicContact CD1-CD2 4.46Å; L401-L403 HydrophobicContact CD2-CD2 3.76Å; L401-L403 HydrophobicContact CG-CD2 3.82Å; L401-L403 HydrophobicContact CG-CG 4.39Å; L401-H428 HydrophobicContact CD1-CB 3.86Å; L401-A430 HydrophobicContact CD1-CB 4.42Å; L401-L482 HydrophobicContact CD2-CD2 4.13Å; L401-L483 HydrophobicContact CD2-CD2 3.78Å
402	L	96.8	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.6	173.7	-51.7	-179.5	0	0	0	110.3	L327 W329 V400 Y404 V413 A417 I427 H428 A429 A430	L327-L402 HydrophobicContact CB-CD2 3.86Å; L327-L402 HydrophobicContact CD1-CD2 3.84Å; L327-L402 HydrophobicContact CG-CD2 4.27Å; L327-L402 CarbonylContact O-C 3.55Å; L327-L402 WeakPolarHBondContact O-CA 3.42Å; W329-L402 HydrophobicContact CH2-CD2 4.42Å; W329-L402 HydrophobicContact CZ3-CB 4.38Å; W329-L402 HydrophobicContact CZ3-CD2 4.41Å; V400-L402 HydrophobicContact CG1-CD2 4.37Å; L402-Y404 HydrophobicContact CB-CD1 4.04Å; L402-Y404 HydrophobicContact CB-CE1 4.06Å; L402-V413 HydrophobicContact CD1-CG1 4.2Å; L402-A417 HydrophobicContact CD1-CB 3.69Å; L402-I427 HydrophobicContact CD1-CD1 4.06Å; L402-I427 HydrophobicContact CG-CD1 4.34Å; L402-I427 HydrophobicContact CG-CG1 4.42Å; L402-H428 PolarHBondContact N-O 2.8Å; L402-A429 HydrophobicContact CB-CB 4.27Å; L402-A429 WeakPolarHBondContact O-CA 3.13Å; L402-A430 PolarHBondContact O-N 3.48Å
403	L	94.9	Very high	92.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	101.1	-179	-57	176.3	0	0	0	110.7	L327 G328 W329 L332 L401 A430 T479 L483	L327-L403 PolarHBondContact O-N 2.76Å; G328-L403 WeakPolarHBondContact CA-O 3.46Å; W329-L403 PolarHBondContact N-O 3.27Å; L332-L403 HydrophobicContact CB-CB 4.1Å; L401-L403 HydrophobicContact CD1-CD2 4.46Å; L401-L403 HydrophobicContact CD2-CD2 3.76Å; L401-L403 HydrophobicContact CG-CD2 3.82Å; L401-L403 HydrophobicContact CG-CG 4.39Å; L403-A430 HydrophobicContact CD2-CB 3.87Å; L403-T479 HydrophobicContact CD1-CG2 4.46Å; L403-T479 HydrophobicContact CD2-CG2 4.27Å; L403-L483 HydrophobicContact CD1-CD1 4.01Å; L403-L483 HydrophobicContact CD1-CD2 4.12Å; L403-L483 HydrophobicContact CD2-CD2 4.23Å
404	Y	91.3	Very high	91.7	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	175.7	-174.8	67	-76.3	0	0	0	112.4	L402 V413 A429 A430 Y431 H432 M443	L402-Y404 HydrophobicContact CB-CD1 4.04Å; L402-Y404 HydrophobicContact CB-CE1 4.06Å; Y404-V413 HydrophobicContact CD1-CG1 3.84Å; Y404-V413 HydrophobicContact CD1-CG2 4.5Å; Y404-V413 HydrophobicContact CD2-CG1 4.15Å; Y404-V413 HydrophobicContact CD2-CG2 4.01Å; Y404-V413 HydrophobicContact CE1-CG1 3.79Å; Y404-V413 HydrophobicContact CE2-CG1 4.11Å; Y404-V413 HydrophobicContact CG-CG1 4.04Å; Y404-V413 HydrophobicContact CG-CG2 3.95Å; Y404-A429 HydrophobicContact CE1-CB 3.91Å; Y404-A430 PolarHBondContact N-O 2.7Å; Y404-Y431 AromaticContact CD2-CD2 3.37Å; Y404-Y431 HydrophobicContact CD2-CD2 3.37Å; Y404-Y431 AromaticContact CD2-CE2 3.64Å; Y404-Y431 HydrophobicContact CD2-CE2 3.64Å; Y404-Y431 HydrophobicContact CD2-CG 4.48Å; Y404-Y431 HydrophobicContact CE1-CD2 4.41Å; Y404-Y431 AromaticContact CE2-CD2 3.01Å; Y404-Y431 HydrophobicContact CE2-CD2 3.01Å; Y404-Y431 AromaticContact CE2-CE2 3.37Å; Y404-Y431 HydrophobicContact CE2-CE2 3.37Å; Y404-Y431 AromaticContact CE2-CG 3.83Å; Y404-Y431 HydrophobicContact CE2-CG 3.83Å; Y404-Y431 HydrophobicContact CG-CD2 4.18Å; Y404-Y431 AromaticContact CZ-CD2 3.61Å; Y404-Y431 AromaticContact CZ-CG 4Å; Y404-Y431 WeakPolarHBondContact O-CA 3.31Å; Y404-H432 PolarHBondContact O-N 2.61Å; Y404-M443 HydrophobicContact CE2-CE 3.38Å; Y404-M443 HydrophobicContact CE2-SD 4.33Å; Y404-M443 WeakPolarHBondContact OH-CE 3.29Å; Y404-M443 PolarHBondContact OH-SD 2.85Å; Y404-M443 VanDerWaalsContact OH-SD 3.32Å
405	S	86.9	Confident	91.4	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	166.4	-175.6	71.2	0	0	0	0	111.3	S407 D408 H432	S405-S407 PolarHBondContact O-N 3.01Å; S405-S407 PolarHBondContact OG-N 3.43Å; S405-S407 PolarHBondContact OG-OG 3.32Å; S405-D408 WeakPolarHBondContact CA-OD2 3.4Å; S405-D408 WeakPolarHBondContact CB-OD2 3.23Å; S405-D408 PolarHBondContact N-OD2 3.1Å; S405-D408 WeakPolarHBondContact O-CB 3.28Å; S405-D408 PolarHBondContact O-N 2.75Å; S405-D408 PolarHBondContact OG-OD2 3.44Å; S405-H432 WeakPolarHBondContact CA-O 3.05Å
406	H	81.6	Confident	91.3	Very high	53 Å²	53	34.7 Å²	34.7	25%	0.245	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-16	174.5	73.3	-49.2	0	0	0	114.7	Y431 H432 T434 D437 R475	H406-Y431 VanDerWaalsContact CA-OH 3.23Å; H406-Y431 WeakPolarHBondContact CA-OH 3.3Å; H406-Y431 VanDerWaalsContact CB-OH 3.29Å; H406-Y431 WeakPolarHBondContact CB-OH 3.47Å; H406-Y431 VanDerWaalsContact N-CE2 3.33Å; H406-H432 PolarHBondContact N-O 3.3Å; H406-H432 PolarHBondContact ND1-O 3.19Å; H406-T434 PolarHBondContact CD2-OG1 3.37Å; H406-T434 VanDerWaalsContact CD2-OG1 3.24Å; H406-T434 WeakPolarHBondContact NE2-CG2 3.49Å; H406-D437 WeakPolarHBondContact CB-OD2 3.45Å; H406-R475 VanDerWaalsContact CE1-CZ 3.44Å; H406-R475 PolarHBondContact CE1-NH1 3.1Å; H406-R475 PolarHBondContact CE1-NH2 2.86Å
407	S	82.8	Confident	91.2	Very high	69 Å²	69	29.8 Å²	29.8	48%	0.483	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.4	177.4	42.4	0	0	0	0	113.8	S405	S405-S407 PolarHBondContact O-N 3.01Å; S405-S407 PolarHBondContact OG-N 3.43Å; S405-S407 PolarHBondContact OG-OG 3.32Å
408	D	88.8	Confident	90.9	Very high	37 Å²	37	35.5 Å²	35.5	20%	0.198	18%	0.177	C	C	.	.	S	Bend	trans	-89.1	163.3	178	-58.8	-62.4	0	0	0	111.3	W329 S405 V410	W329-D408 HydrophobicContact CB-CB 4.15Å; W329-D408 WeakPolarHBondContact CB-OD1 3.2Å; W329-D408 HydrophobicContact CG-CB 4.33Å; S405-D408 WeakPolarHBondContact CA-OD2 3.4Å; S405-D408 WeakPolarHBondContact CB-OD2 3.23Å; S405-D408 PolarHBondContact N-OD2 3.1Å; S405-D408 WeakPolarHBondContact O-CB 3.28Å; S405-D408 PolarHBondContact O-N 2.75Å; S405-D408 PolarHBondContact OG-OD2 3.44Å; D408-V410 PolarHBondContact O-N 3.47Å
409	D	89.6	Confident	90.8	Very high	90 Å²	90	40.4 Å²	40.4	48%	0.481	20%	0.195	S	C	.	.			trans	-71.1	95	172.9	-170.7	-30	0	0	0	110.3	D411 E412 V413	D409-D411 PolarHBondContact O-N 2.9Å; D409-D411 PolarHBondContact OD1-N 2.83Å; D409-E412 HydrophobicContact CB-CB 4.12Å; D409-E412 HydrophobicContact CB-CG 4.15Å; D409-E412 PolarHBondContact O-N 3.41Å; D409-E412 PolarHBondContact OD1-N 2.82Å; D409-V413 WeakPolarHBondContact O-CG2 3.36Å; D409-V413 PolarHBondContact O-N 3.18Å
410	V	84.8	Confident	90.7	Very high	29 Å²	29	40.4 Å²	40.4	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-28.9	-178.9	168.6	0	0	0	0	112.6	D408 V413 A414 M443	D408-V410 PolarHBondContact O-N 3.47Å; V410-V413 PolarHBondContact O-N 3.38Å; V410-A414 WeakPolarHBondContact O-CB 3.3Å; V410-A414 PolarHBondContact O-N 3.07Å; V410-M443 HydrophobicContact CB-CE 4.36Å; V410-M443 HydrophobicContact CG1-CE 3.33Å; V410-M443 HydrophobicContact CG1-SD 4.26Å; V410-M443 HydrophobicContact CG2-CE 4.26Å
411	D	86.4	Confident	90.4	Very high	92 Å²	92	44.1 Å²	44.1	49%	0.492	21%	0.209	S	C	.	.	H	α-helix	trans	-73	-37.5	178.2	-78	-36.3	0	0	0	111	D409 A414 K415 R446	D409-D411 PolarHBondContact O-N 2.9Å; D409-D411 PolarHBondContact OD1-N 2.83Å; D411-A414 PolarHBondContact O-N 3.32Å; D411-K415 VanDerWaalsContact O-CG 3.29Å; D411-K415 WeakPolarHBondContact O-CG 3.42Å; D411-K415 PolarHBondContact O-N 3.19Å; D411-R446 IonicContact OD1-NH1 3.66Å
412	E	91.6	Very high	90.3	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-43.1	170.8	-71.2	-55.9	126.3	0	0	112.1	D409 A414 K415 L416	D409-E412 HydrophobicContact CB-CB 4.12Å; D409-E412 HydrophobicContact CB-CG 4.15Å; D409-E412 PolarHBondContact O-N 3.41Å; D409-E412 PolarHBondContact OD1-N 2.82Å; E412-A414 VanDerWaalsContact C-N 3.3Å; E412-A414 PolarHBondContact O-N 2.89Å; E412-K415 PolarHBondContact O-N 3.45Å; E412-K415 WeakPolarHBondContact OE1-CD 3.33Å; E412-K415 IonicContact OE1-NZ 2.64Å; E412-K415 PolarHBondContact OE1-NZ 3.12Å; E412-L416 PolarHBondContact O-N 3.04Å
413	V	90.1	Very high	90.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-48	172.6	176.1	0	0	0	0	110.3	W329 L402 Y404 D409 V410 K415 L416 A417	W329-V413 HydrophobicContact CD2-CG2 3.87Å; W329-V413 HydrophobicContact CE3-CG2 4.13Å; W329-V413 HydrophobicContact CH2-CB 4.15Å; W329-V413 HydrophobicContact CH2-CG1 4.07Å; W329-V413 HydrophobicContact CH2-CG2 3.81Å; W329-V413 HydrophobicContact CZ2-CB 4.06Å; W329-V413 HydrophobicContact CZ2-CG1 4.48Å; W329-V413 HydrophobicContact CZ2-CG2 3.51Å; W329-V413 HydrophobicContact CZ3-CG1 4.38Å; W329-V413 HydrophobicContact CZ3-CG2 4.11Å; L402-V413 HydrophobicContact CD1-CG1 4.2Å; Y404-V413 HydrophobicContact CD1-CG1 3.84Å; Y404-V413 HydrophobicContact CD1-CG2 4.5Å; Y404-V413 HydrophobicContact CD2-CG1 4.15Å; Y404-V413 HydrophobicContact CD2-CG2 4.01Å; Y404-V413 HydrophobicContact CE1-CG1 3.79Å; Y404-V413 HydrophobicContact CE2-CG1 4.11Å; Y404-V413 HydrophobicContact CG-CG1 4.04Å; Y404-V413 HydrophobicContact CG-CG2 3.95Å; D409-V413 WeakPolarHBondContact O-CG2 3.36Å; D409-V413 PolarHBondContact O-N 3.18Å; V410-V413 PolarHBondContact O-N 3.38Å; V413-K415 PolarHBondContact O-N 2.83Å; V413-L416 PolarHBondContact O-N 3.05Å; V413-A417 VanDerWaalsContact O-CB 3.31Å; V413-A417 WeakPolarHBondContact O-CB 3.1Å; V413-A417 PolarHBondContact O-N 2.96Å
414	A	85.9	Confident	90.1	Very high	7 Å²	7	55.6 Å²	55.6	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-34.1	-179.2	0	0	0	0	0	113.2	V410 D411 E412 R418	V410-A414 WeakPolarHBondContact O-CB 3.3Å; V410-A414 PolarHBondContact O-N 3.07Å; D411-A414 PolarHBondContact O-N 3.32Å; E412-A414 VanDerWaalsContact C-N 3.3Å; E412-A414 PolarHBondContact O-N 2.89Å; A414-R418 WeakPolarHBondContact O-CG 3.48Å; A414-R418 PolarHBondContact O-N 2.83Å; A414-R418 VanDerWaalsContact O-N 3.15Å; A414-R418 PolarHBondContact O-NE 2.93Å
415	K	91.3	Very high	90	Very high	94 Å²	94	58.8 Å²	58.8	41%	0.409	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-48.6	172.5	-75.2	168.5	-168.5	171.4	0	110.9	D411 E412 V413 R418 R419	D411-K415 VanDerWaalsContact O-CG 3.29Å; D411-K415 WeakPolarHBondContact O-CG 3.42Å; D411-K415 PolarHBondContact O-N 3.19Å; E412-K415 PolarHBondContact O-N 3.45Å; E412-K415 WeakPolarHBondContact OE1-CD 3.33Å; E412-K415 IonicContact OE1-NZ 2.64Å; E412-K415 PolarHBondContact OE1-NZ 3.12Å; V413-K415 PolarHBondContact O-N 2.83Å; K415-R418 PolarHBondContact O-N 3.2Å; K415-R419 PolarHBondContact O-N 3Å
416	L	94.5	Very high	90.3	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-43.6	179.3	-175.2	54.3	0	0	0	111.6	L327 W329 H383 L387 E412 V413 R418 R419 V420	L327-L416 HydrophobicContact CD1-CD2 3.96Å; L327-L416 HydrophobicContact CD1-CG 4.14Å; W329-L416 HydrophobicContact CH2-CD2 3.87Å; W329-L416 HydrophobicContact CZ2-CD2 4Å; H383-L416 HydrophobicContact CB-CD2 4.49Å; L387-L416 HydrophobicContact CD1-CD1 4.49Å; L387-L416 HydrophobicContact CD2-CD1 3.48Å; L387-L416 VanDerWaalsContact CD2-CD1 3.48Å; L387-L416 HydrophobicContact CG-CD1 4.18Å; E412-L416 PolarHBondContact O-N 3.04Å; V413-L416 PolarHBondContact O-N 3.05Å; L416-R418 VanDerWaalsContact C-N 3.3Å; L416-R418 PolarHBondContact O-N 3.16Å; L416-R419 PolarHBondContact O-N 3.38Å; L416-R419 VanDerWaalsContact O-N 3.14Å; L416-V420 WeakPolarHBondContact O-CG2 3.44Å; L416-V420 PolarHBondContact O-N 2.9Å
417	A	91.1	Very high	90.8	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-40.7	176.8	0	0	0	0	0	112.8	L402 V413 V420 R421 I427 I448	L402-A417 HydrophobicContact CD1-CB 3.69Å; V413-A417 VanDerWaalsContact O-CB 3.31Å; V413-A417 WeakPolarHBondContact O-CB 3.1Å; V413-A417 PolarHBondContact O-N 2.96Å; A417-V420 PolarHBondContact O-N 2.8Å; A417-R421 WeakPolarHBondContact O-CB 3.31Å; A417-R421 PolarHBondContact O-N 3.45Å; A417-I427 HydrophobicContact CB-CD1 4.02Å; A417-I448 HydrophobicContact CB-CD1 3.5Å; A417-I448 VanDerWaalsContact CB-CD1 3.5Å; A417-I448 HydrophobicContact CB-CG1 4.16Å
418	R	90.7	Very high	91.2	Very high	158 Å²	158	54.5 Å²	54.5	60%	0.596	26%	0.256	S	S	*	.	H	α-helix	trans	-62.6	-44	175.6	-78.5	-176.4	-68.4	146.9	-5.9	112.2	A414 K415 L416 V420 R421 E422	A414-R418 WeakPolarHBondContact O-CG 3.48Å; A414-R418 PolarHBondContact O-N 2.83Å; A414-R418 VanDerWaalsContact O-N 3.15Å; A414-R418 PolarHBondContact O-NE 2.93Å; K415-R418 PolarHBondContact O-N 3.2Å; L416-R418 VanDerWaalsContact C-N 3.3Å; L416-R418 PolarHBondContact O-N 3.16Å; R418-V420 VanDerWaalsContact C-N 3.33Å; R418-V420 PolarHBondContact O-N 3.07Å; R418-R421 WeakPolarHBondContact O-CB 3.36Å; R418-R421 PolarHBondContact O-N 3.2Å; R418-E422 PolarHBondContact O-N 2.85Å
419	R	95.3	Very high	91.2	Very high	106 Å²	106	52.8 Å²	52.8	40%	0.4	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-40.4	176.8	-67	178.3	67.1	-176.7	0	112.1	L391 K415 L416 E422	L391-R419 HydrophobicContact CD2-CB 4.23Å; K415-R419 PolarHBondContact O-N 3Å; L416-R419 PolarHBondContact O-N 3.38Å; L416-R419 VanDerWaalsContact O-N 3.14Å; R419-E422 WeakPolarHBondContact O-CB 3.49Å; R419-E422 PolarHBondContact O-N 3.26Å
420	V	95.3	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-41.3	174.8	173.2	0	0	0	0	111.2	L327 F386 L391 V400 L416 A417 R418 E422 K423 T424 I427	L327-V420 HydrophobicContact CD1-CG2 4.05Å; F386-V420 HydrophobicContact CE1-CG2 3.8Å; F386-V420 HydrophobicContact CZ-CG2 3.94Å; L391-V420 HydrophobicContact CD1-CG2 4.2Å; V400-V420 HydrophobicContact CB-CG1 3.84Å; V400-V420 HydrophobicContact CG1-CG1 3.99Å; V400-V420 HydrophobicContact CG1-CG2 4.44Å; V400-V420 HydrophobicContact CG2-CG1 3.71Å; L416-V420 WeakPolarHBondContact O-CG2 3.44Å; L416-V420 PolarHBondContact O-N 2.9Å; A417-V420 PolarHBondContact O-N 2.8Å; R418-V420 VanDerWaalsContact C-N 3.33Å; R418-V420 PolarHBondContact O-N 3.07Å; V420-E422 PolarHBondContact O-N 3.24Å; V420-K423 PolarHBondContact O-N 2.9Å; V420-T424 HydrophobicContact CG1-CG2 3.75Å; V420-T424 PolarHBondContact O-N 2.87Å; V420-I427 HydrophobicContact CB-CD1 3.84Å; V420-I427 HydrophobicContact CG1-CB 4.23Å; V420-I427 HydrophobicContact CG1-CD1 3.69Å; V420-I427 HydrophobicContact CG1-CG1 4.14Å
421	R	91.5	Very high	91.3	Very high	79 Å²	79	47.2 Å²	47.2	30%	0.298	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-25.3	-180	-175.6	66.1	78.7	176	1.7	113.2	A417 R418 K423 T424 S425 S447	A417-R421 WeakPolarHBondContact O-CB 3.31Å; A417-R421 PolarHBondContact O-N 3.45Å; R418-R421 WeakPolarHBondContact O-CB 3.36Å; R418-R421 PolarHBondContact O-N 3.2Å; R421-K423 PolarHBondContact O-N 3.34Å; R421-T424 WeakPolarHBondContact CA-O 3.1Å; R421-S425 PolarHBondContact NH1-O 3.41Å; R421-S447 PolarHBondContact NH2-O 3.17Å
422	E	94.1	Very high	91.2	Very high	153 Å²	153	43 Å²	43	72%	0.715	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.1	172	-66.6	168	-170.6	0	0	113.2	R418 R419 V420	R418-E422 PolarHBondContact O-N 2.85Å; R419-E422 WeakPolarHBondContact O-CB 3.49Å; R419-E422 PolarHBondContact O-N 3.26Å; V420-E422 PolarHBondContact O-N 3.24Å
423	K	95.2	Very high	90.3	Very high	89 Å²	89	41.5 Å²	41.5	39%	0.387	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-36.3	-176.4	-59.8	-62.9	-173.8	176.9	0	113.9	L391 L394 T395 V420 R421	L391-K423 HydrophobicContact CD1-CB 4.36Å; L391-K423 HydrophobicContact CD1-CG 3.75Å; L391-K423 HydrophobicContact CG-CG 4.32Å; L394-K423 HydrophobicContact CB-CB 3.83Å; T395-K423 CarbonylContact C-O 3.49Å; V420-K423 PolarHBondContact O-N 2.9Å; R421-K423 PolarHBondContact O-N 3.34Å
424	T	92.4	Very high	89.2	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	20%	0.197	C	C	.	.			trans	-142.8	135.1	-179.2	-178.9	0	0	0	0	111.7	T395 D396 D398 V400 V420 R421 N426	T395-T424 VanDerWaalsContact O-CB 3.3Å; T395-T424 WeakPolarHBondContact O-CB 3.31Å; T395-T424 PolarHBondContact O-OG1 3.35Å; D396-T424 WeakPolarHBondContact OD1-CA 3.43Å; D398-T424 PolarHBondContact O-OG1 2.84Å; V400-T424 HydrophobicContact CG2-CG2 4.06Å; V420-T424 HydrophobicContact CG1-CG2 3.75Å; V420-T424 PolarHBondContact O-N 2.87Å; R421-T424 WeakPolarHBondContact CA-O 3.1Å; T424-N426 VanDerWaalsContact C-N 3.27Å; T424-N426 PolarHBondContact OG1-N 3.26Å
425	S	89.4	Confident	87.7	Confident	68 Å²	68	47.8 Å²	47.8	48%	0.476	22%	0.221	S	C	.	.	S	Bend	trans	-77.4	-14.7	169	56.1	0	0	0	0	112.9	D396 R421 I427	D396-S425 WeakPolarHBondContact OD1-CB 3.5Å; D396-S425 PolarHBondContact OD1-N 3.19Å; D396-S425 PolarHBondContact OD1-OG 3.18Å; R421-S425 PolarHBondContact NH1-O 3.41Å; S425-I427 VanDerWaalsContact C-N 3.26Å; S425-I427 PolarHBondContact O-N 3.44Å; S425-I427 VanDerWaalsContact O-N 3.09Å
426	N	93.1	Very high	86	Confident	32 Å²	32	47.4 Å²	47.4	17%	0.171	24%	0.244	C	C	.	.			trans	-90.3	56.6	-177.1	-169.1	21.9	0	0	0	111.8	D398 T399 V400 T424 H428	D398-N426 WeakPolarHBondContact O-CB 3.35Å; T399-N426 WeakPolarHBondContact CA-O 3.28Å; T399-N426 PolarHBondContact OG1-ND2 2.74Å; V400-N426 PolarHBondContact N-O 3.03Å; T424-N426 VanDerWaalsContact C-N 3.27Å; T424-N426 PolarHBondContact OG1-N 3.26Å; N426-H428 PolarHBondContact OD1-NE2 2.96Å
427	I	92.3	Very high	84.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133	177	-175.7	-178.5	0	0	0	110.4	V400 L402 A417 V420 S425	V400-I427 HydrophobicContact CB-CG1 4.32Å; V400-I427 HydrophobicContact CG1-CG1 4.49Å; V400-I427 CarbonylContact O-C 3.6Å; V400-I427 WeakPolarHBondContact O-CA 3.34Å; L402-I427 HydrophobicContact CD1-CD1 4.06Å; L402-I427 HydrophobicContact CG-CD1 4.34Å; L402-I427 HydrophobicContact CG-CG1 4.42Å; A417-I427 HydrophobicContact CB-CD1 4.02Å; V420-I427 HydrophobicContact CB-CD1 3.84Å; V420-I427 HydrophobicContact CG1-CB 4.23Å; V420-I427 HydrophobicContact CG1-CD1 3.69Å; V420-I427 HydrophobicContact CG1-CG1 4.14Å; S425-I427 VanDerWaalsContact C-N 3.26Å; S425-I427 PolarHBondContact O-N 3.44Å; S425-I427 VanDerWaalsContact O-N 3.09Å
428	H	92.8	Very high	82.4	Confident	7 Å²	7	51.7 Å²	51.7	3%	0.032	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	161.9	-174	-60.4	-104.9	0	0	0	110.5	L310 V400 L401 L402 N426 F451	L310-H428 HydrophobicContact CD1-CB 3.84Å; V400-H428 PolarHBondContact O-N 3.03Å; L401-H428 HydrophobicContact CD1-CB 3.86Å; L402-H428 PolarHBondContact N-O 2.8Å; N426-H428 PolarHBondContact OD1-NE2 2.96Å; H428-F451 HydrophobicContact CB-CD2 3.93Å; H428-F451 HydrophobicContact CB-CE2 4.48Å; H428-F451 AromaticContact CE1-CD2 3.76Å; H428-F451 AromaticContact CE1-CE2 3.42Å; H428-F451 VanDerWaalsContact CE1-CE2 3.42Å; H428-F451 WeakPolarHBondContact CE1-CE2 3.27Å; H428-F451 AromaticContact CE1-CZ 3.76Å; H428-F451 AromaticContact CG-CD2 3.68Å; H428-F451 AromaticContact CG-CE2 3.85Å; H428-F451 AromaticContact ND1-CD2 2.93Å; H428-F451 WeakPolarHBondContact ND1-CD2 3.35Å; H428-F451 AromaticContact ND1-CE2 3.07Å; H428-F451 WeakPolarHBondContact ND1-CE2 3.25Å; H428-F451 AromaticContact ND1-CG 3.51Å; H428-F451 AromaticContact ND1-CZ 3.78Å
429	A	88.7	Confident	80.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.1	175.1	0	0	0	0	0	111.6	L402 Y404 I448 T450 F451 A452	L402-A429 HydrophobicContact CB-CB 4.27Å; L402-A429 WeakPolarHBondContact O-CA 3.13Å; Y404-A429 HydrophobicContact CE1-CB 3.91Å; A429-I448 HydrophobicContact CB-CG2 4.36Å; A429-T450 HydrophobicContact CB-CG2 4.46Å; A429-F451 PolarHBondContact O-N 3.35Å; A429-A452 PolarHBondContact O-N 3.27Å
430	A	89.3	Confident	78.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.4	160.9	0	0	0	0	0	108.1	L401 L402 L403 Y404 L482	L401-A430 HydrophobicContact CD1-CB 4.42Å; L402-A430 PolarHBondContact O-N 3.48Å; L403-A430 HydrophobicContact CD2-CB 3.87Å; Y404-A430 PolarHBondContact N-O 2.7Å; A430-L482 HydrophobicContact CB-CD1 3.88Å
431	Y	86.8	Confident	76.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126	-173.7	177.1	-124.1	0	0	0	111.6	Y404 H406 Q433 D437 A440 A452 T453 L454	Y404-Y431 AromaticContact CD2-CD2 3.37Å; Y404-Y431 HydrophobicContact CD2-CD2 3.37Å; Y404-Y431 AromaticContact CD2-CE2 3.64Å; Y404-Y431 HydrophobicContact CD2-CE2 3.64Å; Y404-Y431 HydrophobicContact CD2-CG 4.48Å; Y404-Y431 HydrophobicContact CE1-CD2 4.41Å; Y404-Y431 AromaticContact CE2-CD2 3.01Å; Y404-Y431 HydrophobicContact CE2-CD2 3.01Å; Y404-Y431 AromaticContact CE2-CE2 3.37Å; Y404-Y431 HydrophobicContact CE2-CE2 3.37Å; Y404-Y431 AromaticContact CE2-CG 3.83Å; Y404-Y431 HydrophobicContact CE2-CG 3.83Å; Y404-Y431 HydrophobicContact CG-CD2 4.18Å; Y404-Y431 AromaticContact CZ-CD2 3.61Å; Y404-Y431 AromaticContact CZ-CG 4Å; Y404-Y431 WeakPolarHBondContact O-CA 3.31Å; H406-Y431 VanDerWaalsContact CA-OH 3.23Å; H406-Y431 WeakPolarHBondContact CA-OH 3.3Å; H406-Y431 VanDerWaalsContact CB-OH 3.29Å; H406-Y431 WeakPolarHBondContact CB-OH 3.47Å; H406-Y431 VanDerWaalsContact N-CE2 3.33Å; Y431-Q433 HydrophobicContact CD1-CB 4.11Å; Y431-Q433 HydrophobicContact CE1-CB 3.63Å; Y431-D437 PolarHBondContact OH-OD2 3.15Å; Y431-A440 HydrophobicContact CD1-CB 4.37Å; Y431-A440 HydrophobicContact CE1-CB 4.1Å; Y431-A452 PolarHBondContact N-O 3.49Å; Y431-T453 HydrophobicContact CD1-CG2 4.47Å; Y431-T453 CarbonylContact O-C 3.48Å; Y431-L454 PolarHBondContact O-N 2.98Å
432	H	83.3	Confident	74.4	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.3	175.8	-64.7	-92.8	0	0	0	112.5	Y404 S405 H406 L454 R475 T479	Y404-H432 PolarHBondContact O-N 2.61Å; S405-H432 WeakPolarHBondContact CA-O 3.05Å; H406-H432 PolarHBondContact N-O 3.3Å; H406-H432 PolarHBondContact ND1-O 3.19Å; H432-L454 VanDerWaalsContact CA-O 3.3Å; H432-L454 WeakPolarHBondContact CA-O 2.98Å; H432-R475 HydrophobicContact CB-CB 4.28Å; H432-R475 HydrophobicContact CB-CG 3.84Å; H432-R475 PolarHBondContact CE1-O 2.91Å; H432-R475 VanDerWaalsContact CE1-O 3.22Å; H432-R475 WeakPolarHBondContact ND1-CB 3.44Å; H432-R475 WeakPolarHBondContact ND1-CG 3.24Å; H432-T479 PolarHBondContact CE1-OG1 3.3Å; H432-T479 PolarHBondContact NE2-OG1 2.88Å
433	Q	73.6	Confident	72.5	Confident	56 Å²	56	43.5 Å²	43.5	26%	0.262	26%	0.255	S	S	.	.			trans	-93.7	166	-179.2	67.2	177.1	7.9	0	0	113.4	Y431 D437 T453 L454 S456	Y431-Q433 HydrophobicContact CD1-CB 4.11Å; Y431-Q433 HydrophobicContact CE1-CB 3.63Å; Q433-D437 HydrophobicContact CB-CB 4.42Å; Q433-T453 HydrophobicContact CB-CG2 4.42Å; Q433-T453 HydrophobicContact CG-CG2 3.7Å; Q433-T453 VanDerWaalsContact NE2-CG2 3.33Å; Q433-T453 VanDerWaalsContact OE1-CG2 3.28Å; Q433-L454 PolarHBondContact N-O 3.28Å; Q433-S456 PolarHBondContact O-N 2.88Å
434	T	66.6	Low	70.2	Confident	36 Å²	36	42.6 Å²	42.6	22%	0.221	26%	0.264	C	S	.	.			trans	-116.9	160.9	165.4	50.4	0	0	0	0	111.3	H406 G436 D437	H406-T434 PolarHBondContact CD2-OG1 3.37Å; H406-T434 VanDerWaalsContact CD2-OG1 3.24Å; H406-T434 WeakPolarHBondContact NE2-CG2 3.49Å; T434-G436 PolarHBondContact O-N 2.88Å; T434-D437 WeakPolarHBondContact O-CB 3.38Å; T434-D437 PolarHBondContact O-N 3.45Å
435	D	55.5	Low	67.9	Low	102 Å²	102	47 Å²	47	55%	0.545	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	131.9	173.7	-65.8	-32.8	0	0	0	111.7
436	G	53.9	Low	65.8	Low	87 Å²	87	49.8 Å²	49.8	90%	0.897	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	1.9	179.6	0	0	0	0	0	115.6	T434 A438	T434-G436 PolarHBondContact O-N 2.88Å; G436-A438 PolarHBondContact O-N 2.95Å
437	D	57.6	Low	63.6	Low	41 Å²	41	52.7 Å²	52.7	22%	0.219	32%	0.318	C	S	.	.			trans	-72.3	117.4	179.5	-174.4	8.4	0	0	0	112.4	H406 Y431 Q433 T434 A439	H406-D437 WeakPolarHBondContact CB-OD2 3.45Å; Y431-D437 PolarHBondContact OH-OD2 3.15Å; Q433-D437 HydrophobicContact CB-CB 4.42Å; T434-D437 WeakPolarHBondContact O-CB 3.38Å; T434-D437 PolarHBondContact O-N 3.45Å; D437-A439 WeakPolarHBondContact OD1-CB 3.47Å; D437-A439 PolarHBondContact OD1-N 3.14Å
438	A	52.7	Low	61.5	Low	63 Å²	63	53.3 Å²	53.3	52%	0.521	32%	0.321	S	S	.	.			trans	-88	-8.7	177.1	0	0	0	0	0	113.3	G436 A440 K441 Q442	G436-A438 PolarHBondContact O-N 2.95Å; A438-A440 VanDerWaalsContact C-N 3.34Å; A438-A440 PolarHBondContact O-N 3.36Å; A438-K441 PolarHBondContact O-N 3.28Å; A438-Q442 PolarHBondContact O-N 3Å
439	A	53.5	Low	59.2	Low	16 Å²	16	58.5 Å²	58.5	13%	0.132	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-34.2	-175.4	0	0	0	0	0	112.6	D437 K441 Q442 M443	D437-A439 WeakPolarHBondContact OD1-CB 3.47Å; D437-A439 PolarHBondContact OD1-N 3.14Å; A439-K441 VanDerWaalsContact C-N 3.29Å; A439-K441 PolarHBondContact O-N 3.1Å; A439-Q442 PolarHBondContact O-N 3.25Å; A439-Q442 VanDerWaalsContact O-N 3.09Å; A439-M443 PolarHBondContact O-N 3.46Å
440	A	51.2	Low	57.3	Low	19 Å²	19	60.2 Å²	60.2	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-39	174.9	0	0	0	0	0	112.3	Y431 A438 M443 A444	Y431-A440 HydrophobicContact CD1-CB 4.37Å; Y431-A440 HydrophobicContact CE1-CB 4.1Å; A438-A440 VanDerWaalsContact C-N 3.34Å; A438-A440 PolarHBondContact O-N 3.36Å; A440-M443 PolarHBondContact O-N 3.49Å; A440-A444 PolarHBondContact O-N 3.48Å
441	K	50.8	Low	55.3	Low	175 Å²	175	62.6 Å²	62.6	76%	0.761	37%	0.366	S	S	*	.	H	α-helix	trans	-70.2	-30.7	175.9	-69.4	-179.9	178.9	175.7	0	112.5	A438 A439 S445	A438-K441 PolarHBondContact O-N 3.28Å; A439-K441 VanDerWaalsContact C-N 3.29Å; A439-K441 PolarHBondContact O-N 3.1Å; K441-S445 PolarHBondContact O-OG 3.46Å
442	Q	49.4	Very low	53.5	Low	112 Å²	112	62.7 Å²	62.7	52%	0.523	37%	0.367	S	S	.	.	H	α-helix	trans	-76.1	-27.4	176.2	-78.5	-176.2	-9.1	0	0	113.5	A438 A439 S445 R446	A438-Q442 PolarHBondContact O-N 3Å; A439-Q442 PolarHBondContact O-N 3.25Å; A439-Q442 VanDerWaalsContact O-N 3.09Å; Q442-S445 PolarHBondContact O-OG 3.07Å; Q442-R446 VanDerWaalsContact O-CG 3.28Å; Q442-R446 WeakPolarHBondContact O-CG 3.26Å
443	M	53.8	Low	51.9	Low	2 Å²	2	64.4 Å²	64.4	1%	0.01	38%	0.378	C	S	.	.	H	α-helix	trans	-85	-34	176.6	-87.8	-163.9	-91.9	0	0	113.9	Y404 V410 A439 A440 S445 R446 I448	Y404-M443 HydrophobicContact CE2-CE 3.38Å; Y404-M443 HydrophobicContact CE2-SD 4.33Å; Y404-M443 WeakPolarHBondContact OH-CE 3.29Å; Y404-M443 PolarHBondContact OH-SD 2.85Å; Y404-M443 VanDerWaalsContact OH-SD 3.32Å; V410-M443 HydrophobicContact CB-CE 4.36Å; V410-M443 HydrophobicContact CG1-CE 3.33Å; V410-M443 HydrophobicContact CG1-SD 4.26Å; V410-M443 HydrophobicContact CG2-CE 4.26Å; A439-M443 PolarHBondContact O-N 3.46Å; A440-M443 PolarHBondContact O-N 3.49Å; M443-S445 PolarHBondContact O-N 2.97Å; M443-R446 PolarHBondContact O-N 3.27Å; M443-I448 HydrophobicContact SD-CD1 4.08Å
444	A	48.5	Very low	50.8	Low	70 Å²	70	61.9 Å²	61.9	58%	0.579	37%	0.366	S	S	*	.	H	α-helix	trans	-60	-30.3	171	0	0	0	0	0	112.3	A440	A440-A444 PolarHBondContact O-N 3.48Å
445	S	42.9	Very low	49.7	Very low	93 Å²	93	60.7 Å²	60.7	65%	0.65	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.1	173.8	61.4	0	0	0	0	114.4	K441 Q442 M443	K441-S445 PolarHBondContact O-OG 3.46Å; Q442-S445 PolarHBondContact O-OG 3.07Å; M443-S445 PolarHBondContact O-N 2.97Å
446	R	45.8	Very low	49.1	Very low	127 Å²	127	57.3 Å²	57.3	48%	0.479	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	22.7	-179.9	-70.6	177	179.4	-176.1	2.4	113.6	D411 Q442 M443 I448	D411-R446 IonicContact OD1-NH1 3.66Å; Q442-R446 VanDerWaalsContact O-CG 3.28Å; Q442-R446 WeakPolarHBondContact O-CG 3.26Å; M443-R446 PolarHBondContact O-N 3.27Å; R446-I448 VanDerWaalsContact C-N 3.35Å; R446-I448 PolarHBondContact O-N 3.14Å
447	S	46.6	Very low	48.3	Very low	93 Å²	93	55.4 Å²	55.4	65%	0.65	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	21	171.4	-43.8	0	0	0	0	116.3	R421	R421-S447 PolarHBondContact NH2-O 3.17Å
448	I	47.4	Very low	47.3	Very low	15 Å²	15	57.5 Å²	57.5	8%	0.077	34%	0.335	C	S	.	.			trans	-93.8	120.4	167.2	-58.1	171.8	0	0	0	107.1	A417 A429 M443 R446 T450	A417-I448 HydrophobicContact CB-CD1 3.5Å; A417-I448 VanDerWaalsContact CB-CD1 3.5Å; A417-I448 HydrophobicContact CB-CG1 4.16Å; A429-I448 HydrophobicContact CB-CG2 4.36Å; M443-I448 HydrophobicContact SD-CD1 4.08Å; R446-I448 VanDerWaalsContact C-N 3.35Å; R446-I448 PolarHBondContact O-N 3.14Å; I448-T450 PolarHBondContact O-N 2.96Å; I448-T450 VanDerWaalsContact O-N 3.11Å
449	Q	46.2	Very low	46.4	Very low	115 Å²	115	64.8 Å²	64.8	54%	0.537	35%	0.35	S	S	.	.			trans	-75.1	101	171.7	-76	177.7	-28.3	0	0	107.4	F451	Q449-F451 HydrophobicContact CB-CD2 3.9Å; Q449-F451 HydrophobicContact CB-CE2 3.26Å; Q449-F451 HydrophobicContact CB-CZ 3.73Å; Q449-F451 HydrophobicContact CG-CE2 4.29Å; Q449-F451 HydrophobicContact CG-CZ 4.34Å; Q449-F451 WeakPolarHBondContact O-CD2 3.42Å; Q449-F451 PolarHBondContact O-N 3.25Å; Q449-F451 VanDerWaalsContact OE1-CZ 3.23Å
450	T	48.3	Very low	45.6	Very low	38 Å²	38	67 Å²	67	23%	0.233	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	105.5	172.8	-48.6	0	0	0	0	107.7	A429 I448	A429-T450 HydrophobicContact CB-CG2 4.46Å; I448-T450 PolarHBondContact O-N 2.96Å; I448-T450 VanDerWaalsContact O-N 3.11Å
451	F	47.9	Very low	44.7	Very low	49 Å²	49	75 Å²	75	22%	0.215	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-34.4	-177.6	-73.7	-87.9	0	0	0	111.6	E306 H428 A429 Q449	E306-F451 HydrophobicContact CB-CB 4.42Å; E306-F451 WeakPolarHBondContact CB-O 3.31Å; E306-F451 WeakPolarHBondContact CG-O 3.43Å; H428-F451 HydrophobicContact CB-CD2 3.93Å; H428-F451 HydrophobicContact CB-CE2 4.48Å; H428-F451 AromaticContact CE1-CD2 3.76Å; H428-F451 AromaticContact CE1-CE2 3.42Å; H428-F451 VanDerWaalsContact CE1-CE2 3.42Å; H428-F451 WeakPolarHBondContact CE1-CE2 3.27Å; H428-F451 AromaticContact CE1-CZ 3.76Å; H428-F451 AromaticContact CG-CD2 3.68Å; H428-F451 AromaticContact CG-CE2 3.85Å; H428-F451 AromaticContact ND1-CD2 2.93Å; H428-F451 WeakPolarHBondContact ND1-CD2 3.35Å; H428-F451 AromaticContact ND1-CE2 3.07Å; H428-F451 WeakPolarHBondContact ND1-CE2 3.25Å; H428-F451 AromaticContact ND1-CG 3.51Å; H428-F451 AromaticContact ND1-CZ 3.78Å; A429-F451 PolarHBondContact O-N 3.35Å; Q449-F451 HydrophobicContact CB-CD2 3.9Å; Q449-F451 HydrophobicContact CB-CE2 3.26Å; Q449-F451 HydrophobicContact CB-CZ 3.73Å; Q449-F451 HydrophobicContact CG-CE2 4.29Å; Q449-F451 HydrophobicContact CG-CZ 4.34Å; Q449-F451 WeakPolarHBondContact O-CD2 3.42Å; Q449-F451 PolarHBondContact O-N 3.25Å; Q449-F451 VanDerWaalsContact OE1-CZ 3.23Å
452	A	47.7	Very low	43.9	Very low	4 Å²	4	69.2 Å²	69.2	3%	0.033	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	104.3	175.7	0	0	0	0	0	111.1	A429 Y431 L454 L482	A429-A452 PolarHBondContact O-N 3.27Å; Y431-A452 PolarHBondContact N-O 3.49Å; A452-L454 HydrophobicContact CB-CG 4.27Å; A452-L454 PolarHBondContact O-N 3.36Å; A452-L482 HydrophobicContact CB-CD1 4.06Å
453	T	51	Low	43.1	Very low	40 Å²	40	70 Å²	70	25%	0.245	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	92.2	165.4	-56.8	0	0	0	0	108.3	H303 Y431 Q433 G455	H303-T453 PolarHBondContact NE2-O 3.48Å; Y431-T453 HydrophobicContact CD1-CG2 4.47Å; Y431-T453 CarbonylContact O-C 3.48Å; Q433-T453 HydrophobicContact CB-CG2 4.42Å; Q433-T453 HydrophobicContact CG-CG2 3.7Å; Q433-T453 VanDerWaalsContact NE2-CG2 3.33Å; Q433-T453 VanDerWaalsContact OE1-CG2 3.28Å; T453-G455 VanDerWaalsContact C-N 3.33Å; T453-G455 PolarHBondContact O-N 3Å
454	L	50.1	Low	42.3	Very low	2 Å²	2	74.2 Å²	74.2	1%	0.01	41%	0.411	C	S	.	.			trans	-83.2	79.9	178.2	-65.4	165.6	0	0	0	109	F299 T300 Y431 H432 Q433 A452 S478 L482	F299-L454 HydrophobicContact CD1-CD2 4.47Å; F299-L454 HydrophobicContact CE1-CB 4.06Å; F299-L454 HydrophobicContact CE1-CD2 4.01Å; T300-L454 HydrophobicContact CG2-CD2 4.47Å; Y431-L454 PolarHBondContact O-N 2.98Å; H432-L454 VanDerWaalsContact CA-O 3.3Å; H432-L454 WeakPolarHBondContact CA-O 2.98Å; Q433-L454 PolarHBondContact N-O 3.28Å; A452-L454 HydrophobicContact CB-CG 4.27Å; A452-L454 PolarHBondContact O-N 3.36Å; L454-S478 WeakPolarHBondContact CD1-OG 3.32Å; L454-L482 HydrophobicContact CD1-CD1 4.05Å
455	G	43	Very low	41.8	Very low	11 Å²	11	80.3 Å²	80.3	11%	0.113	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-70.6	160.8	176.3	0	0	0	0	0	116	F299 T453	F299-G455 WeakPolarHBondContact CE1-O 3.47Å; F299-G455 WeakPolarHBondContact CE2-O 3.42Å; F299-G455 WeakPolarHBondContact CZ-O 3.36Å; T453-G455 VanDerWaalsContact C-N 3.33Å; T453-G455 PolarHBondContact O-N 3Å
456	S	43.8	Very low	42	Very low	32 Å²	32	78.3 Å²	78.3	22%	0.224	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-75.3	127.6	162.3	55.7	0	0	0	0	109.8	Q433	Q433-S456 PolarHBondContact O-N 2.88Å
457	S	36.5	Very low	42.4	Very low	47 Å²	47	76.6 Å²	76.6	33%	0.329	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-66.3	129.4	177.9	174.5	0	0	0	0	112.3	Y459	S457-Y459 VanDerWaalsContact C-N 3.27Å; S457-Y459 PolarHBondContact O-N 2.96Å; S457-Y459 PolarHBondContact OG-N 3.41Å
458	P	36	Very low	42.7	Very low	85 Å²	85	77 Å²	77	55%	0.552	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.8	179.4	28	-33.5	0	0	0	114	L460	P458-L460 VanDerWaalsContact C-N 3.34Å
459	Y	33.3	Very low	43.2	Very low	215 Å²	215	77.2 Å²	77.2	84%	0.843	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	10.5	-179.9	-70.2	-78.8	0	0	0	114	S457 Q461	S457-Y459 VanDerWaalsContact C-N 3.27Å; S457-Y459 PolarHBondContact O-N 2.96Å; S457-Y459 PolarHBondContact OG-N 3.41Å; Y459-Q461 PolarHBondContact O-N 2.88Å
460	L	36.9	Very low	44.1	Very low	62 Å²	62	72.8 Å²	72.8	33%	0.325	40%	0.401	S	S	.	.			trans	-96.9	62.1	176.8	-85.7	169.2	0	0	0	111.9	K295 P458 P462	K295-L460 HydrophobicContact CB-CD1 4.32Å; K295-L460 HydrophobicContact CD-CD1 4.27Å; K295-L460 HydrophobicContact CD-CD2 3.21Å; K295-L460 HydrophobicContact CD-CG 4.18Å; K295-L460 VanDerWaalsContact NZ-CD2 3.3Å; P458-L460 VanDerWaalsContact C-N 3.34Å; L460-P462 WeakPolarHBondContact O-CD 3.48Å
461	Q	32.2	Very low	45.2	Very low	188 Å²	188	75.4 Å²	75.4	88%	0.879	41%	0.41	S	S	*	.			trans	-93	115.7	150.1	-73.9	-158.8	-8.2	0	0	109.1	Y459	Y459-Q461 PolarHBondContact O-N 2.88Å
462	P	33.7	Very low	46.7	Very low	53 Å²	53	75.1 Å²	75.1	34%	0.344	41%	0.41	S	S	.	.			trans	-115.1	171.4	157.7	39.5	-30.6	0	0	0	110.6	L460 L464	L460-P462 WeakPolarHBondContact O-CD 3.48Å; P462-L464 PolarHBondContact O-N 3.38Å
463	P	33.1	Very low	48.5	Very low	130 Å²	130	75.9 Å²	75.9	84%	0.844	41%	0.412	S	S	*	.	S	Bend	trans	-66.3	15.8	-172.9	-17.5	31.4	0	0	0	116.4
464	L	37.2	Very low	50.2	Low	89 Å²	89	76 Å²	76	47%	0.466	41%	0.41	S	S	.	.	S	Bend	trans	-137.4	116.8	170.8	-82.8	158.5	0	0	0	108.1	P462 G466	P462-L464 PolarHBondContact O-N 3.38Å; L464-G466 PolarHBondContact O-N 3.49Å
465	Q	38.3	Very low	52.1	Low	198 Å²	198	77 Å²	77	93%	0.925	41%	0.413	S	S	*	.			trans	-45.5	122.7	169.3	-73.3	167.1	-32.1	0	0	110.6
466	G	46.4	Very low	54.5	Low	52 Å²	52	77 Å²	77	54%	0.536	41%	0.41	S	S	.	.			trans	-78.2	129.7	170.2	0	0	0	0	0	110.7	L464	L464-G466 PolarHBondContact O-N 3.49Å
467	T	54.8	Low	57	Low	90 Å²	90	75.5 Å²	75.5	55%	0.552	40%	0.4	S	S	*	.			trans	-71.2	157.8	172.9	60.7	0	0	0	0	110.6	A469 S470 K471	T467-A469 PolarHBondContact O-N 3.13Å; T467-A469 VanDerWaalsContact O-N 3.14Å; T467-S470 WeakPolarHBondContact O-CB 3.43Å; T467-S470 PolarHBondContact O-N 2.97Å; T467-K471 PolarHBondContact O-N 3.21Å
468	F	52.9	Low	59.8	Low	102 Å²	102	73.5 Å²	73.5	45%	0.447	39%	0.386	S	S	.	.	H	α-helix	trans	-49.2	-38.7	173.1	177.6	-105.7	0	0	0	112.4	S470 K471 I472	F468-S470 PolarHBondContact O-N 2.98Å; F468-K471 PolarHBondContact O-N 2.78Å; F468-I472 HydrophobicContact CD1-CD1 3.68Å; F468-I472 HydrophobicContact CE1-CD1 3.27Å; F468-I472 HydrophobicContact CE1-CG1 4.27Å; F468-I472 HydrophobicContact CZ-CD1 3.78Å; F468-I472 HydrophobicContact CZ-CG1 4.39Å; F468-I472 PolarHBondContact O-N 3.19Å
469	A	58.4	Low	62.6	Low	19 Å²	19	69.5 Å²	69.5	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-59.8	-41.9	176	0	0	0	0	0	113	T467 K471 I472 R473	T467-A469 PolarHBondContact O-N 3.13Å; T467-A469 VanDerWaalsContact O-N 3.14Å; A469-K471 VanDerWaalsContact C-N 3.3Å; A469-K471 PolarHBondContact O-N 2.69Å; A469-I472 PolarHBondContact O-N 3.2Å; A469-R473 WeakPolarHBondContact O-CG 3.37Å; A469-R473 PolarHBondContact O-N 2.92Å
470	S	65.1	Low	65.7	Low	22 Å²	22	59.8 Å²	59.8	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-37.1	178.5	178.5	0	0	0	0	112.4	T467 F468 R473 Q474	T467-S470 WeakPolarHBondContact O-CB 3.43Å; T467-S470 PolarHBondContact O-N 2.97Å; F468-S470 PolarHBondContact O-N 2.98Å; S470-R473 PolarHBondContact O-N 2.96Å; S470-Q474 PolarHBondContact O-N 2.87Å
471	K	71.8	Confident	68.6	Low	94 Å²	94	57 Å²	57	41%	0.409	31%	0.307	S	S	.	.	H	α-helix	trans	-67.9	-41.6	176.9	-66.5	-174.6	178.6	-174.4	0	112.4	T467 F468 A469 R473 Q474 R475	T467-K471 PolarHBondContact O-N 3.21Å; F468-K471 PolarHBondContact O-N 2.78Å; A469-K471 VanDerWaalsContact C-N 3.3Å; A469-K471 PolarHBondContact O-N 2.69Å; K471-R473 PolarHBondContact O-N 2.9Å; K471-Q474 PolarHBondContact O-N 3.08Å; K471-R475 WeakPolarHBondContact O-CG 3.05Å; K471-R475 PolarHBondContact O-N 3.25Å
472	I	79.4	Confident	71.7	Confident	43 Å²	43	48 Å²	48	22%	0.221	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-42.5	175.1	-71.5	168.7	0	0	0	110.6	F468 A469 Q474 R475 E476	F468-I472 HydrophobicContact CD1-CD1 3.68Å; F468-I472 HydrophobicContact CE1-CD1 3.27Å; F468-I472 HydrophobicContact CE1-CG1 4.27Å; F468-I472 HydrophobicContact CZ-CD1 3.78Å; F468-I472 HydrophobicContact CZ-CG1 4.39Å; F468-I472 PolarHBondContact O-N 3.19Å; A469-I472 PolarHBondContact O-N 3.2Å; I472-Q474 PolarHBondContact O-N 2.92Å; I472-R475 WeakPolarHBondContact O-CB 3.5Å; I472-R475 PolarHBondContact O-N 3.01Å; I472-R475 VanDerWaalsContact O-N 3.12Å; I472-E476 HydrophobicContact CG2-CG 4.35Å; I472-E476 WeakPolarHBondContact CG2-OE1 3.16Å; I472-E476 WeakPolarHBondContact O-CG 3.01Å; I472-E476 PolarHBondContact O-N 2.92Å
473	R	85.4	Confident	74.8	Confident	20 Å²	20	45.6 Å²	45.6	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-71.2	-34.4	-171.1	-63	-87.8	-82.5	-134	-20.3	112.9	F119 K265 E269 S273 A469 S470 K471 E476 F477	F119-R473 VanDerWaalsContact CZ-NH2 3.35Å; K265-R473 PolarHBondContact NZ-O 2.96Å; K265-R473 VanDerWaalsContact NZ-O 3.1Å; E269-R473 VanDerWaalsContact CG-NH2 3.27Å; E269-R473 PolarHBondContact O-NH2 2.74Å; E269-R473 VanDerWaalsContact O-NH2 3.16Å; E269-R473 WeakPolarHBondContact OE1-CD 3.18Å; E269-R473 IonicContact OE1-CZ 2.79Å; E269-R473 IonicContact OE1-NE 2.82Å; E269-R473 PolarHBondContact OE1-NE 2.85Å; E269-R473 IonicContact OE1-NH1 3.74Å; E269-R473 IonicContact OE2-NE 3.03Å; S273-R473 PolarHBondContact OG-NH2 2.88Å; A469-R473 WeakPolarHBondContact O-CG 3.37Å; A469-R473 PolarHBondContact O-N 2.92Å; S470-R473 PolarHBondContact O-N 2.96Å; K471-R473 PolarHBondContact O-N 2.9Å; R473-E476 WeakPolarHBondContact CD-OE2 3.5Å; R473-F477 WeakPolarHBondContact O-CB 3.49Å; R473-F477 PolarHBondContact O-N 2.77Å
474	Q	86.6	Confident	77.9	Confident	43 Å²	43	39.9 Å²	39.9	20%	0.201	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-38.4	170.4	-69.5	172.1	2.6	0	0	112.2	S292 A296 S470 K471 I472 F477 S478	S292-Q474 VanDerWaalsContact CB-NE2 3.33Å; S292-Q474 PolarHBondContact OG-NE2 3.41Å; S292-Q474 VanDerWaalsContact OG-NE2 3.1Å; A296-Q474 HydrophobicContact CB-CB 4.16Å; A296-Q474 HydrophobicContact CB-CG 4.25Å; S470-Q474 PolarHBondContact O-N 2.87Å; K471-Q474 PolarHBondContact O-N 3.08Å; I472-Q474 PolarHBondContact O-N 2.92Å; Q474-F477 PolarHBondContact O-N 2.88Å; Q474-S478 WeakPolarHBondContact O-CB 3.22Å; Q474-S478 PolarHBondContact O-N 3.47Å
475	R	88.6	Confident	80.8	Confident	21 Å²	21	35.8 Å²	35.8	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-42.8	175.2	-65.2	169.6	-179.2	154.4	1.9	112.2	H406 H432 K471 I472 F477 S478 T479	H406-R475 VanDerWaalsContact CE1-CZ 3.44Å; H406-R475 PolarHBondContact CE1-NH1 3.1Å; H406-R475 PolarHBondContact CE1-NH2 2.86Å; H432-R475 HydrophobicContact CB-CB 4.28Å; H432-R475 HydrophobicContact CB-CG 3.84Å; H432-R475 PolarHBondContact CE1-O 2.91Å; H432-R475 VanDerWaalsContact CE1-O 3.22Å; H432-R475 WeakPolarHBondContact ND1-CB 3.44Å; H432-R475 WeakPolarHBondContact ND1-CG 3.24Å; K471-R475 WeakPolarHBondContact O-CG 3.05Å; K471-R475 PolarHBondContact O-N 3.25Å; I472-R475 WeakPolarHBondContact O-CB 3.5Å; I472-R475 PolarHBondContact O-N 3.01Å; I472-R475 VanDerWaalsContact O-N 3.12Å; R475-F477 VanDerWaalsContact C-N 3.35Å; R475-S478 PolarHBondContact O-N 3.23Å; R475-T479 WeakPolarHBondContact O-CB 3.48Å; R475-T479 PolarHBondContact O-N 2.9Å; R475-T479 PolarHBondContact O-OG1 3.07Å
476	E	94.3	Very high	83.7	Confident	12 Å²	12	26.4 Å²	26.4	6%	0.056	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-43.7	174.1	-71.6	169	174.1	0	0	111.4	F114 K265 S331 L332 L335 I472 R473 T479 K480	F114-E476 WeakPolarHBondContact CE1-OE2 3.31Å; F114-E476 HydrophobicContact CZ-CB 4.22Å; F114-E476 VanDerWaalsContact CZ-CD 3.45Å; F114-E476 HydrophobicContact CZ-CG 3.91Å; F114-E476 WeakPolarHBondContact CZ-OE2 3.37Å; K265-E476 IonicContact NZ-OE2 3.99Å; K265-E476 PolarHBondContact NZ-OE2 3.12Å; S331-E476 WeakPolarHBondContact CB-OE1 3.32Å; S331-E476 WeakPolarHBondContact OG-CG 3.16Å; S331-E476 PolarHBondContact OG-OE1 3.21Å; L332-E476 HydrophobicContact CD2-CG 4.14Å; L335-E476 HydrophobicContact CD1-CB 3.75Å; L335-E476 HydrophobicContact CD1-CG 4.19Å; L335-E476 WeakPolarHBondContact CD1-O 3.38Å; I472-E476 HydrophobicContact CG2-CG 4.35Å; I472-E476 WeakPolarHBondContact CG2-OE1 3.16Å; I472-E476 WeakPolarHBondContact O-CG 3.01Å; I472-E476 PolarHBondContact O-N 2.92Å; R473-E476 WeakPolarHBondContact CD-OE2 3.5Å; E476-T479 PolarHBondContact O-N 3.4Å; E476-K480 WeakPolarHBondContact O-CB 3.38Å; E476-K480 PolarHBondContact O-N 2.79Å
477	F	95.8	Very high	86.2	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-46	175.1	175.6	-111.1	0	0	0	112	K265 I266 Y293 A296 L297 R473 Q474 R475 T479 K480 L481	K265-F477 HydrophobicContact CD-CB 4.36Å; I266-F477 HydrophobicContact CD1-CD2 4.32Å; I266-F477 HydrophobicContact CD1-CE2 3.62Å; I266-F477 HydrophobicContact CD1-CZ 3.86Å; I266-F477 HydrophobicContact CG1-CD2 4.15Å; I266-F477 HydrophobicContact CG1-CE2 3.96Å; I266-F477 HydrophobicContact CG1-CZ 4.49Å; Y293-F477 HydrophobicContact CD1-CB 3.96Å; Y293-F477 AromaticContact CD1-CD1 3.87Å; Y293-F477 HydrophobicContact CD1-CD1 3.87Å; Y293-F477 HydrophobicContact CD1-CD2 4.32Å; Y293-F477 HydrophobicContact CD1-CE1 4.45Å; Y293-F477 AromaticContact CD1-CG 3.79Å; Y293-F477 HydrophobicContact CD1-CG 3.79Å; Y293-F477 HydrophobicContact CE1-CB 4.05Å; Y293-F477 HydrophobicContact CE1-CG 4.35Å; Y293-F477 WeakPolarHBondContact O-CE1 3.41Å; A296-F477 HydrophobicContact CB-CD1 3.94Å; A296-F477 HydrophobicContact CB-CE1 4.39Å; L297-F477 HydrophobicContact CB-CE1 4.08Å; R473-F477 WeakPolarHBondContact O-CB 3.49Å; R473-F477 PolarHBondContact O-N 2.77Å; Q474-F477 PolarHBondContact O-N 2.88Å; R475-F477 VanDerWaalsContact C-N 3.35Å; F477-T479 PolarHBondContact O-N 3.12Å; F477-K480 WeakPolarHBondContact O-CB 3.43Å; F477-K480 PolarHBondContact O-N 2.64Å; F477-L481 HydrophobicContact CD1-CD1 4.15Å; F477-L481 HydrophobicContact CE1-CD1 3.58Å; F477-L481 HydrophobicContact CE1-CG 4.34Å; F477-L481 HydrophobicContact CE2-CD1 4.36Å; F477-L481 HydrophobicContact CE2-CD2 4.36Å; F477-L481 HydrophobicContact CE2-CG 4.3Å; F477-L481 HydrophobicContact CZ-CD1 3.7Å; F477-L481 HydrophobicContact CZ-CD2 4.25Å; F477-L481 HydrophobicContact CZ-CG 4.12Å; F477-L481 PolarHBondContact O-N 3.04Å
478	S	94.9	Very high	88.2	Confident	5 Å²	5	19.7 Å²	19.7	4%	0.035	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-44	176.3	-178.2	0	0	0	0	112.5	T300 L454 Q474 R475 K480 L481 L482	T300-S478 WeakPolarHBondContact CG2-OG 3.4Å; T300-S478 WeakPolarHBondContact OG1-CA 3.4Å; T300-S478 WeakPolarHBondContact OG1-CB 3.39Å; T300-S478 PolarHBondContact OG1-OG 2.89Å; L454-S478 WeakPolarHBondContact CD1-OG 3.32Å; Q474-S478 WeakPolarHBondContact O-CB 3.22Å; Q474-S478 PolarHBondContact O-N 3.47Å; R475-S478 PolarHBondContact O-N 3.23Å; S478-K480 VanDerWaalsContact C-N 3.33Å; S478-K480 PolarHBondContact O-N 3.31Å; S478-L481 PolarHBondContact O-N 3.42Å; S478-L482 PolarHBondContact O-N 3.09Å
479	T	96.2	Very high	90.4	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-42	175.8	-56	0	0	0	0	111.3	L332 L335 L403 H432 R475 E476 F477 L482 L483	L332-T479 HydrophobicContact CD2-CG2 4.41Å; L332-T479 WeakPolarHBondContact CD2-OG1 3.45Å; L335-T479 HydrophobicContact CB-CG2 4.46Å; L335-T479 HydrophobicContact CD1-CG2 4.29Å; L403-T479 HydrophobicContact CD1-CG2 4.46Å; L403-T479 HydrophobicContact CD2-CG2 4.27Å; H432-T479 PolarHBondContact CE1-OG1 3.3Å; H432-T479 PolarHBondContact NE2-OG1 2.88Å; R475-T479 WeakPolarHBondContact O-CB 3.48Å; R475-T479 PolarHBondContact O-N 2.9Å; R475-T479 PolarHBondContact O-OG1 3.07Å; E476-T479 PolarHBondContact O-N 3.4Å; F477-T479 PolarHBondContact O-N 3.12Å; T479-L482 PolarHBondContact O-N 3.4Å; T479-L483 HydrophobicContact CG2-CD1 3.85Å; T479-L483 HydrophobicContact CG2-CG 4.21Å; T479-L483 WeakPolarHBondContact O-CB 3.42Å; T479-L483 VanDerWaalsContact O-CG 3.27Å; T479-L483 WeakPolarHBondContact O-CG 3.41Å; T479-L483 PolarHBondContact O-N 2.61Å
480	K	98.1	Very high	92.3	Very high	11 Å²	11	13.9 Å²	13.9	5%	0.048	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-46.7	175.8	-175.6	-172.9	178.7	-62.7	0	111.4	R257 M258 S262 L335 E476 F477 S478 L483 N484	R257-K480 PolarHBondContact O-NZ 3.5Å; M258-K480 PolarHBondContact O-NZ 2.99Å; M258-K480 VanDerWaalsContact O-NZ 3.12Å; S262-K480 PolarHBondContact OG-NZ 3.14Å; L335-K480 HydrophobicContact CD2-CB 4.38Å; E476-K480 WeakPolarHBondContact O-CB 3.38Å; E476-K480 PolarHBondContact O-N 2.79Å; F477-K480 WeakPolarHBondContact O-CB 3.43Å; F477-K480 PolarHBondContact O-N 2.64Å; S478-K480 VanDerWaalsContact C-N 3.33Å; S478-K480 PolarHBondContact O-N 3.31Å; K480-L483 PolarHBondContact O-N 3.01Å; K480-N484 PolarHBondContact NZ-OD1 2.8Å; K480-N484 VanDerWaalsContact O-CB 3.3Å; K480-N484 WeakPolarHBondContact O-CB 3.23Å; K480-N484 PolarHBondContact O-N 2.9Å; K480-N484 PolarHBondContact O-OD1 3.04Å
481	L	98	Very high	93.8	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	6%	0.059	C	C	.	.	H	α-helix	trans	-60.5	-46.2	177.4	-68.6	177.1	0	0	0	111.6	D57 L297 T300 Y301 F477 S478 N484 A485	D57-L481 HydrophobicContact CB-CD2 4.36Å; L297-L481 HydrophobicContact CB-CD1 4.36Å; L297-L481 HydrophobicContact CG-CD1 4.33Å; T300-L481 HydrophobicContact CG2-CB 4.09Å; T300-L481 HydrophobicContact CG2-CD1 4.42Å; Y301-L481 HydrophobicContact CE2-CD1 4.07Å; F477-L481 HydrophobicContact CD1-CD1 4.15Å; F477-L481 HydrophobicContact CE1-CD1 3.58Å; F477-L481 HydrophobicContact CE1-CG 4.34Å; F477-L481 HydrophobicContact CE2-CD1 4.36Å; F477-L481 HydrophobicContact CE2-CD2 4.36Å; F477-L481 HydrophobicContact CE2-CG 4.3Å; F477-L481 HydrophobicContact CZ-CD1 3.7Å; F477-L481 HydrophobicContact CZ-CD2 4.25Å; F477-L481 HydrophobicContact CZ-CG 4.12Å; F477-L481 PolarHBondContact O-N 3.04Å; S478-L481 PolarHBondContact O-N 3.42Å; L481-N484 PolarHBondContact O-N 3.44Å; L481-A485 WeakPolarHBondContact O-CB 3.2Å; L481-A485 PolarHBondContact O-N 3.5Å
482	L	97.7	Very high	94.9	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-57.9	-53	176.4	179.6	157	0	0	0	111.4	I307 L310 L401 A430 A452 L454 S478 T479 N484 A485 V486	I307-L482 HydrophobicContact CG1-CD1 4.2Å; I307-L482 HydrophobicContact CG1-CG 4.25Å; L310-L482 HydrophobicContact CD2-CD2 4.1Å; L401-L482 HydrophobicContact CD2-CD2 4.13Å; A430-L482 HydrophobicContact CB-CD1 3.88Å; A452-L482 HydrophobicContact CB-CD1 4.06Å; L454-L482 HydrophobicContact CD1-CD1 4.05Å; S478-L482 PolarHBondContact O-N 3.09Å; T479-L482 PolarHBondContact O-N 3.4Å; L482-N484 PolarHBondContact O-N 3.22Å; L482-A485 PolarHBondContact O-N 3.4Å; L482-V486 HydrophobicContact CD2-CG2 4.11Å; L482-V486 VanDerWaalsContact O-CG2 3.31Å; L482-V486 WeakPolarHBondContact O-CG2 3.48Å; L482-V486 PolarHBondContact O-N 3.06Å
483	L	98.4	Very high	95.6	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-62.8	-43.6	-178.2	-70	174.7	0	0	0	111.6	Y326 L335 D339 L401 L403 T479 K480 A485 V486 S487	Y326-L483 HydrophobicContact CD1-CD2 4.29Å; Y326-L483 HydrophobicContact CD2-CD2 4.17Å; Y326-L483 HydrophobicContact CE1-CD2 4.05Å; Y326-L483 HydrophobicContact CE2-CD2 3.92Å; Y326-L483 HydrophobicContact CG-CD2 4.33Å; L335-L483 HydrophobicContact CB-CD1 4.24Å; D339-L483 HydrophobicContact CB-CB 3.88Å; D339-L483 HydrophobicContact CB-CD1 4.19Å; L401-L483 HydrophobicContact CD2-CD2 3.78Å; L403-L483 HydrophobicContact CD1-CD1 4.01Å; L403-L483 HydrophobicContact CD1-CD2 4.12Å; L403-L483 HydrophobicContact CD2-CD2 4.23Å; T479-L483 HydrophobicContact CG2-CD1 3.85Å; T479-L483 HydrophobicContact CG2-CG 4.21Å; T479-L483 WeakPolarHBondContact O-CB 3.42Å; T479-L483 VanDerWaalsContact O-CG 3.27Å; T479-L483 WeakPolarHBondContact O-CG 3.41Å; T479-L483 PolarHBondContact O-N 2.61Å; K480-L483 PolarHBondContact O-N 3.01Å; L483-A485 VanDerWaalsContact C-N 3.3Å; L483-A485 PolarHBondContact O-N 3.26Å; L483-V486 PolarHBondContact O-N 3.11Å; L483-S487 WeakPolarHBondContact O-CB 3.48Å; L483-S487 PolarHBondContact O-N 3.05Å; L483-S487 PolarHBondContact O-OG 3.31Å
484	N	98.4	Very high	95.9	Very high	11 Å²	11	9.7 Å²	9.7	6%	0.059	5%	0.045	C	C	.	.	H	α-helix	trans	-63.2	-37.4	177.3	-69.4	172.1	0	0	0	111.9	R257 D339 K480 L481 L482 T488	R257-N484 PolarHBondContact NH1-ND2 3.3Å; R257-N484 PolarHBondContact O-OD1 3.47Å; D339-N484 PolarHBondContact OD1-N 3.42Å; D339-N484 PolarHBondContact OD1-ND2 2.86Å; K480-N484 PolarHBondContact NZ-OD1 2.8Å; K480-N484 VanDerWaalsContact O-CB 3.3Å; K480-N484 WeakPolarHBondContact O-CB 3.23Å; K480-N484 PolarHBondContact O-N 2.9Å; K480-N484 PolarHBondContact O-OD1 3.04Å; L481-N484 PolarHBondContact O-N 3.44Å; L482-N484 PolarHBondContact O-N 3.22Å; N484-T488 WeakPolarHBondContact O-CB 3.4Å; N484-T488 PolarHBondContact O-N 3.09Å; N484-T488 VanDerWaalsContact O-N 3.1Å; N484-T488 PolarHBondContact O-OG1 3.17Å
485	A	98.3	Very high	96	Very high	3 Å²	3	7.7 Å²	7.7	3%	0.025	4%	0.036	C	C	.	.	H	α-helix	trans	-65.8	-49.6	174.5	0	0	0	0	0	111.6	M50 L53 I307 M311 L481 L482 L483 G489	M50-A485 HydrophobicContact CE-CB 4.4Å; M50-A485 HydrophobicContact SD-CB 3.84Å; L53-A485 HydrophobicContact CD1-CB 3.79Å; I307-A485 HydrophobicContact CG2-CB 4.06Å; M311-A485 HydrophobicContact CE-CB 4.4Å; M311-A485 WeakPolarHBondContact CE-O 3.2Å; L481-A485 WeakPolarHBondContact O-CB 3.2Å; L481-A485 PolarHBondContact O-N 3.5Å; L482-A485 PolarHBondContact O-N 3.4Å; L483-A485 VanDerWaalsContact C-N 3.3Å; L483-A485 PolarHBondContact O-N 3.26Å; A485-G489 PolarHBondContact O-N 3.13Å
486	V	98.1	Very high	96.1	Very high	1 Å²	1	8 Å²	8	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-61.8	-52.9	-179.2	171.6	0	0	0	0	111.2	I307 L310 A314 L482 L483 T488 G489 A490	I307-V486 HydrophobicContact CG2-CG2 4.21Å; L310-V486 HydrophobicContact CB-CG2 4.33Å; L310-V486 HydrophobicContact CD2-CG2 3.7Å; L310-V486 HydrophobicContact CG-CG1 4.14Å; L310-V486 HydrophobicContact CG-CG2 3.73Å; A314-V486 HydrophobicContact CB-CG1 3.86Å; L482-V486 HydrophobicContact CD2-CG2 4.11Å; L482-V486 VanDerWaalsContact O-CG2 3.31Å; L482-V486 WeakPolarHBondContact O-CG2 3.48Å; L482-V486 PolarHBondContact O-N 3.06Å; L483-V486 PolarHBondContact O-N 3.11Å; V486-T488 PolarHBondContact O-N 3.44Å; V486-G489 PolarHBondContact O-N 2.66Å; V486-A490 WeakPolarHBondContact O-CB 3.34Å; V486-A490 PolarHBondContact O-N 3.11Å
487	S	98.4	Very high	96	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.3	-39.7	-178.4	60.8	0	0	0	0	112.4	R257 D339 L483 H491	R257-S487 PolarHBondContact NH1-OG 2.92Å; R257-S487 PolarHBondContact NH2-OG 3.39Å; D339-S487 VanDerWaalsContact CG-OG 3.32Å; D339-S487 PolarHBondContact OD1-OG 3.12Å; D339-S487 WeakPolarHBondContact OD2-CB 3.31Å; D339-S487 PolarHBondContact OD2-OG 2.93Å; L483-S487 WeakPolarHBondContact O-CB 3.48Å; L483-S487 PolarHBondContact O-N 3.05Å; L483-S487 PolarHBondContact O-OG 3.31Å; S487-H491 PolarHBondContact O-N 3.17Å; S487-H491 PolarHBondContact O-ND1 3.42Å
488	T	98.3	Very high	95.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-66.9	-48.9	177.3	-57.3	0	0	0	0	111.2	I252 R257 M258 F347 N484 V486 A490 H491 I492	I252-T488 HydrophobicContact CD1-CG2 4.48Å; I252-T488 HydrophobicContact CG1-CG2 3.74Å; R257-T488 PolarHBondContact NH2-OG1 3.43Å; M258-T488 HydrophobicContact CE-CG2 4.32Å; M258-T488 HydrophobicContact SD-CG2 4.46Å; F347-T488 HydrophobicContact CZ-CG2 4.18Å; N484-T488 WeakPolarHBondContact O-CB 3.4Å; N484-T488 PolarHBondContact O-N 3.09Å; N484-T488 VanDerWaalsContact O-N 3.1Å; N484-T488 PolarHBondContact O-OG1 3.17Å; V486-T488 PolarHBondContact O-N 3.44Å; T488-A490 PolarHBondContact O-N 3.27Å; T488-H491 PolarHBondContact O-N 3.37Å; T488-I492 HydrophobicContact CG2-CD1 3.96Å; T488-I492 WeakPolarHBondContact O-CG1 3.3Å; T488-I492 PolarHBondContact O-N 3.49Å
489	G	98	Very high	95.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.6	-40.4	179.3	0	0	0	0	0	113.1	A485 V486 H491 I492 F493	A485-G489 PolarHBondContact O-N 3.13Å; V486-G489 PolarHBondContact O-N 2.66Å; G489-H491 VanDerWaalsContact C-N 3.32Å; G489-H491 PolarHBondContact O-N 3.48Å; G489-I492 WeakPolarHBondContact O-CB 3.42Å; G489-I492 PolarHBondContact O-N 3.04Å; G489-F493 VanDerWaalsContact O-CD2 3.26Å; G489-F493 WeakPolarHBondContact O-CD2 3.42Å; G489-F493 PolarHBondContact O-N 3.16Å
490	A	97.7	Very high	95.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-40.8	175.8	0	0	0	0	0	112.1	A314 L318 V486 T488 F493 K494	A314-A490 HydrophobicContact CB-CB 3.82Å; L318-A490 HydrophobicContact CD1-CB 3.67Å; L318-A490 HydrophobicContact CG-CB 4.43Å; V486-A490 WeakPolarHBondContact O-CB 3.34Å; V486-A490 PolarHBondContact O-N 3.11Å; T488-A490 PolarHBondContact O-N 3.27Å; A490-F493 PolarHBondContact O-N 3.21Å; A490-K494 PolarHBondContact O-N 3.49Å
491	H	96.6	Very high	95.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-76	-26.9	176.3	-72.8	89.6	0	0	0	113.5	F347 A349 S487 T488 G489 K494 G495 K496	F347-H491 HydrophobicContact CB-CB 4.1Å; F347-H491 VanDerWaalsContact CB-CD2 3.49Å; F347-H491 WeakPolarHBondContact CB-CD2 3.28Å; F347-H491 HydrophobicContact CD1-CB 3.72Å; F347-H491 HydrophobicContact CD2-CB 3.67Å; F347-H491 AromaticContact CD2-CD2 3.71Å; F347-H491 AromaticContact CD2-CE1 3.96Å; F347-H491 AromaticContact CD2-CG 3.36Å; F347-H491 AromaticContact CD2-ND1 3.55Å; F347-H491 HydrophobicContact CE1-CB 3.99Å; F347-H491 HydrophobicContact CE2-CB 3.95Å; F347-H491 AromaticContact CE2-CG 3.91Å; F347-H491 AromaticContact CE2-ND1 3.84Å; F347-H491 HydrophobicContact CG-CB 3.56Å; F347-H491 AromaticContact CG-CD2 3.74Å; F347-H491 AromaticContact CG-CG 3.58Å; F347-H491 HydrophobicContact CZ-CB 4.1Å; A349-H491 WeakPolarHBondContact CB-NE2 3.42Å; S487-H491 PolarHBondContact O-N 3.17Å; S487-H491 PolarHBondContact O-ND1 3.42Å; T488-H491 PolarHBondContact O-N 3.37Å; G489-H491 VanDerWaalsContact C-N 3.32Å; G489-H491 PolarHBondContact O-N 3.48Å; H491-K494 PolarHBondContact O-N 3.35Å; H491-G495 PolarHBondContact O-N 3.28Å; H491-K496 HydrophobicContact CB-CB 4.31Å; H491-K496 HydrophobicContact CB-CG 4.45Å; H491-K496 WeakPolarHBondContact O-CB 3.19Å; H491-K496 PolarHBondContact O-N 2.77Å
492	I	95.8	Very high	94.8	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-60.4	-48.1	166.1	-71.4	161.1	0	0	0	109.5	I41 I49 I252 T488 G489 K494 G495 V497	I41-I492 HydrophobicContact CD1-CD1 3.97Å; I41-I492 HydrophobicContact CG1-CD1 3.97Å; I49-I492 HydrophobicContact CD1-CB 4.4Å; I49-I492 HydrophobicContact CD1-CD1 4.3Å; I49-I492 HydrophobicContact CD1-CG2 3.88Å; I49-I492 HydrophobicContact CG2-CD1 4.29Å; I252-I492 HydrophobicContact CD1-CD1 4.37Å; T488-I492 HydrophobicContact CG2-CD1 3.96Å; T488-I492 WeakPolarHBondContact O-CG1 3.3Å; T488-I492 PolarHBondContact O-N 3.49Å; G489-I492 WeakPolarHBondContact O-CB 3.42Å; G489-I492 PolarHBondContact O-N 3.04Å; I492-K494 VanDerWaalsContact C-N 3.29Å; I492-K494 PolarHBondContact O-N 3.22Å; I492-G495 WeakPolarHBondContact O-CA 3.48Å; I492-G495 PolarHBondContact O-N 3.38Å; I492-V497 HydrophobicContact CG1-CB 4.03Å; I492-V497 HydrophobicContact CG1-CG1 4.42Å; I492-V497 HydrophobicContact CG1-CG2 3.77Å
493	F	93.9	Very high	94.1	Very high	44 Å²	44	12.7 Å²	12.7	19%	0.193	6%	0.057	C	C	.	.	H	α-helix	trans	-63.2	-34	176.2	-67.7	-44.3	0	0	0	113.1	A46 I49 M311 E312 Q319 G489 A490 G495	A46-F493 HydrophobicContact CB-CE2 4.13Å; A46-F493 HydrophobicContact CB-CZ 3.78Å; I49-F493 HydrophobicContact CD1-CE1 4.08Å; I49-F493 HydrophobicContact CD1-CZ 3.97Å; M311-F493 HydrophobicContact CG-CE2 4.01Å; M311-F493 HydrophobicContact SD-CE2 4.09Å; E312-F493 HydrophobicContact CG-CE2 4.15Å; E312-F493 HydrophobicContact CG-CZ 4.39Å; Q319-F493 PolarHBondContact NE2-O 2.84Å; G489-F493 VanDerWaalsContact O-CD2 3.26Å; G489-F493 WeakPolarHBondContact O-CD2 3.42Å; G489-F493 PolarHBondContact O-N 3.16Å; A490-F493 PolarHBondContact O-N 3.21Å; F493-G495 PolarHBondContact O-N 2.79Å
494	K	91.7	Very high	93.5	Very high	43 Å²	43	13 Å²	13	19%	0.187	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.7	172	-155.5	-174.9	-168.5	161.7	0	113.5	L318 D353 A490 H491 I492 K496	L318-K494 HydrophobicContact CB-CB 4.38Å; L318-K494 HydrophobicContact CB-CD 4Å; L318-K494 HydrophobicContact CB-CG 4.27Å; L318-K494 HydrophobicContact CD1-CD 4.5Å; L318-K494 WeakPolarHBondContact O-CE 3.12Å; D353-K494 IonicContact OD1-NZ 2.61Å; D353-K494 PolarHBondContact OD1-NZ 2.99Å; D353-K494 IonicContact OD2-NZ 2.69Å; D353-K494 PolarHBondContact OD2-NZ 3.11Å; A490-K494 PolarHBondContact O-N 3.49Å; H491-K494 PolarHBondContact O-N 3.35Å; I492-K494 VanDerWaalsContact C-N 3.29Å; I492-K494 PolarHBondContact O-N 3.22Å; K494-K496 HydrophobicContact CB-CG 4.25Å; K494-K496 HydrophobicContact CD-CG 4.42Å
495	G	89.6	Confident	92.7	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	24	177.1	0	0	0	0	0	114.7	H491 I492 F493 V497	H491-G495 PolarHBondContact O-N 3.28Å; I492-G495 WeakPolarHBondContact O-CA 3.48Å; I492-G495 PolarHBondContact O-N 3.38Å; F493-G495 PolarHBondContact O-N 2.79Å; G495-V497 VanDerWaalsContact C-N 3.33Å
496	K	90	Very high	91.8	Very high	29 Å²	29	14 Å²	14	13%	0.126	6%	0.062	C	C	.	.			trans	-87.8	2.5	-178.6	-59.8	-63.2	-160.5	169.3	0	114.2	F347 H491 K494 I503 D504	F347-K496 HydrophobicContact CB-CB 4.02Å; F347-K496 HydrophobicContact CB-CG 4.26Å; F347-K496 HydrophobicContact CD1-CB 4.24Å; F347-K496 WeakPolarHBondContact O-CD 3.36Å; H491-K496 HydrophobicContact CB-CB 4.31Å; H491-K496 HydrophobicContact CB-CG 4.45Å; H491-K496 WeakPolarHBondContact O-CB 3.19Å; H491-K496 PolarHBondContact O-N 2.77Å; K494-K496 HydrophobicContact CB-CG 4.25Å; K494-K496 HydrophobicContact CD-CG 4.42Å; K496-I503 VanDerWaalsContact O-CG1 3.28Å; K496-I503 WeakPolarHBondContact O-CG1 3.34Å; K496-D504 HydrophobicContact CD-CB 4.05Å; K496-D504 IonicContact NZ-OD2 3.93Å; K496-D504 PolarHBondContact NZ-OD2 3.39Å
497	V	92.2	Very high	91.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.9	-177.5	177.4	0	0	0	0	109.3	D42 I252 F347 I492 G495 Y501	D42-V497 HydrophobicContact CB-CG1 4.41Å; I252-V497 HydrophobicContact CD1-CG1 3.8Å; I252-V497 HydrophobicContact CD1-CG2 4.4Å; F347-V497 HydrophobicContact CD1-CG2 4.32Å; F347-V497 HydrophobicContact CE1-CG2 4.07Å; I492-V497 HydrophobicContact CG1-CB 4.03Å; I492-V497 HydrophobicContact CG1-CG1 4.42Å; I492-V497 HydrophobicContact CG1-CG2 3.77Å; G495-V497 VanDerWaalsContact C-N 3.33Å; V497-Y501 WeakPolarHBondContact CA-O 3.32Å
498	F	89.7	Confident	90.1	Very high	7 Å²	7	15.2 Å²	15.2	3%	0.031	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.3	171.7	-178	-100.2	0	0	0	109.1	N500 Y501 I503 L523 R590 M593 E594 L597	F498-N500 PolarHBondContact O-N 3.29Å; F498-Y501 PolarHBondContact N-O 3.47Å; F498-Y501 VanDerWaalsContact N-O 3.13Å; F498-Y501 PolarHBondContact O-N 3.23Å; F498-I503 HydrophobicContact CB-CB 4.43Å; F498-I503 HydrophobicContact CB-CD1 3.88Å; F498-I503 HydrophobicContact CB-CG1 4.41Å; F498-I503 HydrophobicContact CB-CG2 3.32Å; F498-I503 HydrophobicContact CG-CG2 4.37Å; F498-L523 HydrophobicContact CD1-CD1 4.16Å; F498-L523 HydrophobicContact CD1-CD2 4.13Å; F498-L523 HydrophobicContact CE1-CD1 4.35Å; F498-L523 HydrophobicContact CE1-CD2 3.77Å; F498-R590 HydrophobicContact CD2-CB 4.3Å; F498-R590 HydrophobicContact CD2-CG 3.71Å; F498-R590 HydrophobicContact CE2-CG 4.33Å; F498-M593 HydrophobicContact CB-CE 4.02Å; F498-M593 HydrophobicContact CB-SD 4.07Å; F498-M593 HydrophobicContact CD1-CE 3.79Å; F498-M593 HydrophobicContact CD2-CB 4.16Å; F498-M593 HydrophobicContact CD2-CE 4.05Å; F498-M593 HydrophobicContact CD2-SD 4.01Å; F498-M593 HydrophobicContact CE1-CE 4.23Å; F498-M593 HydrophobicContact CE2-CB 4.02Å; F498-M593 HydrophobicContact CE2-CE 4.5Å; F498-M593 HydrophobicContact CG-CE 3.7Å; F498-M593 HydrophobicContact CG-SD 4.05Å; F498-E594 HydrophobicContact CE2-CG 3.92Å; F498-L597 HydrophobicContact CE1-CD1 4.25Å; F498-L597 HydrophobicContact CE2-CD1 4.5Å; F498-L597 HydrophobicContact CZ-CD1 3.66Å
499	K	91.3	Very high	89.1	Confident	89 Å²	89	15.3 Å²	15.3	39%	0.387	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-108.6	-165.6	-60.9	175.9	-179.1	175.3	0	109.3	R39 I41 D42 Y501	R39-K499 WeakPolarHBondContact O-CA 3.44Å; R39-K499 VanDerWaalsContact O-CB 3.31Å; R39-K499 WeakPolarHBondContact O-CB 3.18Å; I41-K499 WeakPolarHBondContact CG2-O 3.4Å; D42-K499 WeakPolarHBondContact CB-O 3.43Å; D42-K499 VanDerWaalsContact CG-CA 3.44Å; D42-K499 PolarHBondContact N-O 3.45Å; D42-K499 WeakPolarHBondContact OD1-CA 3.25Å; D42-K499 PolarHBondContact OD2-N 2.99Å; K499-Y501 HydrophobicContact CB-CD2 4.17Å; K499-Y501 HydrophobicContact CB-CE2 4.26Å
500	N	94.1	Very high	88.4	Confident	2 Å²	2	15.9 Å²	15.9	1%	0.011	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	24.8	172.6	55.2	-4.3	0	0	0	113.3	N35 T38 I41 A251 I252 S253 F498	N35-N500 PolarHBondContact N-ND2 3.24Å; N35-N500 PolarHBondContact O-ND2 3.37Å; T38-N500 WeakPolarHBondContact O-CB 3.36Å; T38-N500 WeakPolarHBondContact OG1-CB 3.33Å; T38-N500 PolarHBondContact OG1-ND2 3.36Å; I41-N500 HydrophobicContact CG2-CB 4.1Å; A251-N500 WeakPolarHBondContact O-CB 3.41Å; I252-N500 CarbonylContact C-O 3.6Å; I252-N500 WeakPolarHBondContact CA-O 3.46Å; S253-N500 PolarHBondContact N-O 2.85Å; S253-N500 PolarHBondContact OG-O 3.07Å; F498-N500 PolarHBondContact O-N 3.29Å
501	Y	92.7	Very high	87.7	Confident	27 Å²	27	17.6 Å²	17.6	11%	0.106	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.5	178.1	-54.5	-81.2	0	0	0	111.5	S34 V497 F498 K499 I503 L519 K522	S34-Y501 WeakPolarHBondContact CB-OH 3.42Å; S34-Y501 PolarHBondContact OG-OH 2.7Å; V497-Y501 WeakPolarHBondContact CA-O 3.32Å; F498-Y501 PolarHBondContact N-O 3.47Å; F498-Y501 VanDerWaalsContact N-O 3.13Å; F498-Y501 PolarHBondContact O-N 3.23Å; K499-Y501 HydrophobicContact CB-CD2 4.17Å; K499-Y501 HydrophobicContact CB-CE2 4.26Å; Y501-I503 PolarHBondContact O-N 2.68Å; Y501-L519 HydrophobicContact CD1-CD1 3.7Å; Y501-L519 HydrophobicContact CD2-CD1 3.96Å; Y501-L519 HydrophobicContact CE1-CD1 4.41Å; Y501-L519 HydrophobicContact CG-CD1 3.45Å; Y501-L519 VanDerWaalsContact CG-CD1 3.45Å; Y501-K522 HydrophobicContact CE1-CD 4.32Å; Y501-K522 WeakPolarHBondContact OH-CE 3.49Å; Y501-K522 PolarHBondContact OH-NZ 2.72Å
502	M	89.8	Confident	87.1	Confident	6 Å²	6	18 Å²	18	3%	0.03	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	111.4	165.1	-66.1	173.8	-90.9	0	0	108.4	I252 S253 G254 T346 L505 L519	I252-M502 HydrophobicContact CG2-CG 3.63Å; S253-M502 WeakPolarHBondContact O-CE 3.43Å; G254-M502 VanDerWaalsContact C-CE 3.46Å; T346-M502 HydrophobicContact CG2-CG 4.05Å; T346-M502 HydrophobicContact CG2-SD 3.43Å; T346-M502 WeakPolarHBondContact CG2-SD 3.45Å; T346-M502 WeakPolarHBondContact O-CG 3.32Å; T346-M502 VanDerWaalsContact O-SD 3.41Å; M502-L505 HydrophobicContact CB-CB 4.04Å; M502-L505 HydrophobicContact CB-CD2 4.28Å; M502-L519 WeakPolarHBondContact O-CD2 3.46Å
503	I	84.1	Confident	86.7	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-94.3	-30.5	176.8	53.8	177.8	0	0	0	111.3	K496 F498 Y501 L505 V563 P564 V589 M593	K496-I503 VanDerWaalsContact O-CG1 3.28Å; K496-I503 WeakPolarHBondContact O-CG1 3.34Å; F498-I503 HydrophobicContact CB-CB 4.43Å; F498-I503 HydrophobicContact CB-CD1 3.88Å; F498-I503 HydrophobicContact CB-CG1 4.41Å; F498-I503 HydrophobicContact CB-CG2 3.32Å; F498-I503 HydrophobicContact CG-CG2 4.37Å; Y501-I503 PolarHBondContact O-N 2.68Å; I503-L505 VanDerWaalsContact C-N 3.32Å; I503-L505 PolarHBondContact O-N 3.45Å; I503-V563 WeakPolarHBondContact O-CB 3.46Å; I503-P564 WeakPolarHBondContact O-CD 3.41Å; I503-V589 HydrophobicContact CD1-CB 3.75Å; I503-V589 HydrophobicContact CD1-CG1 3.49Å; I503-V589 VanDerWaalsContact CD1-CG1 3.49Å; I503-V589 HydrophobicContact CG1-CG1 4.18Å; I503-M593 HydrophobicContact CB-SD 4.18Å; I503-M593 HydrophobicContact CD1-SD 3.8Å; I503-M593 HydrophobicContact CG2-CE 3.76Å; I503-M593 HydrophobicContact CG2-SD 3.81Å
504	D	84.4	Confident	86.2	Confident	6 Å²	6	19.9 Å²	19.9	3%	0.032	9%	0.089	C	C	.	.	S	Bend	trans	-99.6	31.4	-179.8	-154.2	8.8	0	0	0	112.2	F347 G348 K496 K561	F347-D504 CarbonylContact C-O 3.58Å; G348-D504 WeakPolarHBondContact CA-O 3.35Å; G348-D504 PolarHBondContact N-O 3.06Å; K496-D504 HydrophobicContact CD-CB 4.05Å; K496-D504 IonicContact NZ-OD2 3.93Å; K496-D504 PolarHBondContact NZ-OD2 3.39Å; D504-K561 VanDerWaalsContact OD1-CA 3.22Å; D504-K561 WeakPolarHBondContact OD1-CA 3.11Å; D504-K561 PolarHBondContact OD1-N 3Å
505	L	81.4	Confident	86.1	Confident	4 Å²	4	19 Å²	19	2%	0.021	9%	0.085	C	C	.	.			trans	-65.6	143	178.6	76.1	91	0	0	0	110.7	M502 I503 V507 L512 R515 V563	M502-L505 HydrophobicContact CB-CB 4.04Å; M502-L505 HydrophobicContact CB-CD2 4.28Å; I503-L505 VanDerWaalsContact C-N 3.32Å; I503-L505 PolarHBondContact O-N 3.45Å; L505-V507 HydrophobicContact CD1-CG2 3.76Å; L505-L512 HydrophobicContact CD1-CB 3.91Å; L505-L512 HydrophobicContact CD1-CD1 4.36Å; L505-L512 HydrophobicContact CD1-CD2 4.39Å; L505-L512 HydrophobicContact CD1-CG 4.46Å; L505-R515 HydrophobicContact CD2-CG 4.24Å; L505-V563 HydrophobicContact CG-CG2 4.34Å
506	Q	80.4	Confident	86.1	Confident	32 Å²	32	19 Å²	19	15%	0.15	9%	0.085	C	C	.	.			trans	-86.9	112.9	177.2	-62.9	-167.6	-10	0	0	110.4	P345 T508 L512	P345-Q506 PolarHBondContact O-N 3.34Å; Q506-T508 VanDerWaalsContact C-N 3.28Å; Q506-T508 HydrophobicContact CB-CG2 3.78Å; Q506-T508 PolarHBondContact O-N 3.12Å; Q506-T508 PolarHBondContact O-OG1 2.97Å; Q506-L512 WeakPolarHBondContact O-CD1 3.48Å
507	V	83.1	Confident	86.1	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.018	8%	0.08	C	C	.	.			trans	-74.1	79	-177.6	-176.3	0	0	0	0	110.6	L505 Y513 A516 L535 I539 V562	L505-V507 HydrophobicContact CD1-CG2 3.76Å; V507-Y513 VanDerWaalsContact CG1-CA 3.49Å; V507-Y513 HydrophobicContact CG1-CD2 3.78Å; V507-Y513 HydrophobicContact CG1-CG 4.23Å; V507-A516 HydrophobicContact CG2-CB 3.84Å; V507-L535 HydrophobicContact CG2-CD1 4.45Å; V507-I539 HydrophobicContact CG1-CD1 4.25Å; V507-V562 HydrophobicContact CG2-CB 4.34Å; V507-V562 HydrophobicContact CG2-CG1 4Å
508	T	77.5	Confident	85.9	Confident	23 Å²	23	21.1 Å²	21.1	14%	0.141	9%	0.092	C	C	.	.			trans	-115.1	-5.3	-167.1	51.2	0	0	0	0	114.4	E148 Q506	E148-T508 VanDerWaalsContact CB-OG1 3.23Å; E148-T508 WeakPolarHBondContact CB-OG1 3.22Å; E148-T508 WeakPolarHBondContact CG-OG1 3.45Å; E148-T508 PolarHBondContact OE2-OG1 3.38Å; Q506-T508 VanDerWaalsContact C-N 3.28Å; Q506-T508 HydrophobicContact CB-CG2 3.78Å; Q506-T508 PolarHBondContact O-N 3.12Å; Q506-T508 PolarHBondContact O-OG1 2.97Å
509	N	78.1	Confident	86	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.016	9%	0.093	C	C	.	.	S	Bend	trans	-147.8	173.3	172	66.9	30.8	0	0	0	110.9	E148 D152 K511 L512 Y513	E148-N509 HydrophobicContact CB-CB 4.19Å; E148-N509 PolarHBondContact OE2-ND2 3.33Å; D152-N509 WeakPolarHBondContact OD2-CA 3.32Å; D152-N509 WeakPolarHBondContact OD2-CB 3.48Å; N509-K511 VanDerWaalsContact C-N 3.27Å; N509-K511 PolarHBondContact O-N 3.41Å; N509-K511 WeakPolarHBondContact OD1-CB 3.35Å; N509-K511 PolarHBondContact OD1-N 3.18Å; N509-K511 VanDerWaalsContact OD1-N 3.08Å; N509-L512 PolarHBondContact O-N 3.36Å; N509-L512 WeakPolarHBondContact OD1-CB 3.46Å; N509-L512 WeakPolarHBondContact OD1-CG 3.16Å; N509-L512 PolarHBondContact OD1-N 2.7Å; N509-Y513 PolarHBondContact O-N 3.28Å
510	S	81.7	Confident	85.9	Confident	12 Å²	12	17 Å²	17	8%	0.084	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-29.8	-177.1	77.8	0	0	0	0	113.3	D152 R213 R514	D152-S510 WeakPolarHBondContact OD1-CB 3.47Å; D152-S510 PolarHBondContact OD1-OG 3.18Å; D152-S510 WeakPolarHBondContact OD2-CB 3.4Å; D152-S510 PolarHBondContact OD2-N 3.41Å; D152-S510 PolarHBondContact OD2-OG 3.33Å; R213-S510 PolarHBondContact NH1-OG 3.05Å; S510-R514 VanDerWaalsContact C-NH1 3.26Å; S510-R514 VanDerWaalsContact CB-NH1 3.34Å; S510-R514 WeakPolarHBondContact O-CG 3.37Å; S510-R514 PolarHBondContact O-N 3.14Å; S510-R514 PolarHBondContact O-NH1 3.15Å; S510-R514 PolarHBondContact OG-NH1 2.78Å
511	K	82.9	Confident	85.8	Confident	36 Å²	36	19.4 Å²	19.4	16%	0.157	9%	0.086	C	C	.	.	H	α-helix	trans	-68.4	-47.3	176.5	172.7	-169.4	70.7	-149.2	0	110.6	E151 N509 R514 R515	E151-K511 IonicContact OE1-NZ 2.7Å; E151-K511 PolarHBondContact OE1-NZ 2.94Å; E151-K511 IonicContact OE2-NZ 2.79Å; E151-K511 PolarHBondContact OE2-NZ 3.41Å; N509-K511 VanDerWaalsContact C-N 3.27Å; N509-K511 PolarHBondContact O-N 3.41Å; N509-K511 WeakPolarHBondContact OD1-CB 3.35Å; N509-K511 PolarHBondContact OD1-N 3.18Å; N509-K511 VanDerWaalsContact OD1-N 3.08Å; K511-R514 PolarHBondContact O-N 2.99Å; K511-R515 WeakPolarHBondContact O-CB 3.34Å; K511-R515 PolarHBondContact O-N 3.28Å
512	L	84.8	Confident	85.6	Confident	7 Å²	7	22.5 Å²	22.5	4%	0.037	10%	0.1	C	C	.	.	H	α-helix	trans	-70.2	-34.3	179.8	-67.9	-167.2	0	0	0	112.5	E148 L505 Q506 N509 R515 A516	E148-L512 WeakPolarHBondContact OE1-CD1 3.32Å; E148-L512 WeakPolarHBondContact OE2-CD1 3.44Å; L505-L512 HydrophobicContact CD1-CB 3.91Å; L505-L512 HydrophobicContact CD1-CD1 4.36Å; L505-L512 HydrophobicContact CD1-CD2 4.39Å; L505-L512 HydrophobicContact CD1-CG 4.46Å; Q506-L512 WeakPolarHBondContact O-CD1 3.48Å; N509-L512 PolarHBondContact O-N 3.36Å; N509-L512 WeakPolarHBondContact OD1-CB 3.46Å; N509-L512 WeakPolarHBondContact OD1-CG 3.16Å; N509-L512 PolarHBondContact OD1-N 2.7Å; L512-R515 WeakPolarHBondContact O-CB 3.38Å; L512-R515 PolarHBondContact O-N 2.87Å; L512-A516 WeakPolarHBondContact O-CB 3.19Å; L512-A516 PolarHBondContact O-N 3.13Å
513	Y	86.6	Confident	85.5	Confident	25 Å²	25	23.1 Å²	23.1	10%	0.098	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-50.2	172	-178.7	-91.5	0	0	0	112	V507 N509 R515 A516 A517 E532 L535 L536 I539 L554	V507-Y513 VanDerWaalsContact CG1-CA 3.49Å; V507-Y513 HydrophobicContact CG1-CD2 3.78Å; V507-Y513 HydrophobicContact CG1-CG 4.23Å; N509-Y513 PolarHBondContact O-N 3.28Å; Y513-R515 VanDerWaalsContact C-N 3.27Å; Y513-R515 PolarHBondContact O-N 3.2Å; Y513-A516 WeakPolarHBondContact O-CB 3.4Å; Y513-A516 PolarHBondContact O-N 2.92Å; Y513-A516 VanDerWaalsContact O-N 3.17Å; Y513-A517 PolarHBondContact O-N 3.24Å; Y513-E532 HydrophobicContact CE1-CG 4.44Å; Y513-L535 HydrophobicContact CD2-CD2 3.51Å; Y513-L535 HydrophobicContact CD2-CG 4.27Å; Y513-L535 HydrophobicContact CE1-CD2 4.4Å; Y513-L535 HydrophobicContact CE2-CD2 3.38Å; Y513-L535 HydrophobicContact CE2-CG 3.91Å; Y513-L535 HydrophobicContact CG-CD2 4.11Å; Y513-L536 HydrophobicContact CE2-CD2 4.45Å; Y513-I539 HydrophobicContact CD2-CD1 4.15Å; Y513-I539 HydrophobicContact CE2-CD1 4.05Å; Y513-L554 HydrophobicContact CD1-CD1 4.18Å; Y513-L554 HydrophobicContact CD2-CD1 3.85Å; Y513-L554 HydrophobicContact CD2-CD2 3.25Å; Y513-L554 HydrophobicContact CD2-CG 4.19Å; Y513-L554 HydrophobicContact CE2-CD2 3.44Å; Y513-L554 VanDerWaalsContact CE2-CD2 3.44Å; Y513-L554 HydrophobicContact CG-CD1 3.61Å; Y513-L554 HydrophobicContact CG-CD2 3.94Å; Y513-L554 HydrophobicContact CG-CG 4.44Å
514	R	84.9	Confident	85.7	Confident	63 Å²	63	24 Å²	24	24%	0.238	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-34.6	176.7	-68.5	179.9	-165.7	96.4	2.9	112.5	S510 K511 R518	S510-R514 VanDerWaalsContact C-NH1 3.26Å; S510-R514 VanDerWaalsContact CB-NH1 3.34Å; S510-R514 WeakPolarHBondContact O-CG 3.37Å; S510-R514 PolarHBondContact O-N 3.14Å; S510-R514 PolarHBondContact O-NH1 3.15Å; S510-R514 PolarHBondContact OG-NH1 2.78Å; K511-R514 PolarHBondContact O-N 2.99Å; R514-R518 WeakPolarHBondContact O-CB 3.45Å; R514-R518 VanDerWaalsContact O-CG 3.29Å; R514-R518 WeakPolarHBondContact O-CG 3.33Å; R514-R518 PolarHBondContact O-N 3.42Å; R514-R518 VanDerWaalsContact O-N 3.07Å; R514-R518 PolarHBondContact O-NE 3.18Å; R514-R518 VanDerWaalsContact O-NE 3.11Å
515	R	87.9	Confident	85.9	Confident	25 Å²	25	27 Å²	27	9%	0.094	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-45.7	174.6	-174.7	-179.8	-66.9	167.1	-4.3	110.7	E32 G254 L505 K511 L512 Y513 R518 L519	E32-R515 IonicContact OE1-CZ 2.68Å; E32-R515 IonicContact OE1-NE 3.29Å; E32-R515 IonicContact OE1-NH2 2.94Å; E32-R515 PolarHBondContact OE1-NH2 2.85Å; E32-R515 IonicContact OE2-CZ 2.79Å; E32-R515 IonicContact OE2-NE 3.67Å; E32-R515 PolarHBondContact OE2-NE 2.91Å; E32-R515 IonicContact OE2-NH2 3.84Å; E32-R515 PolarHBondContact OE2-NH2 2.87Å; G254-R515 VanDerWaalsContact CA-CZ 3.49Å; G254-R515 VanDerWaalsContact CA-NH2 3.27Å; G254-R515 VanDerWaalsContact O-CZ 3.32Å; G254-R515 PolarHBondContact O-NH1 3.48Å; G254-R515 VanDerWaalsContact O-NH1 3.1Å; G254-R515 PolarHBondContact O-NH2 2.95Å; L505-R515 HydrophobicContact CD2-CG 4.24Å; K511-R515 WeakPolarHBondContact O-CB 3.34Å; K511-R515 PolarHBondContact O-N 3.28Å; L512-R515 WeakPolarHBondContact O-CB 3.38Å; L512-R515 PolarHBondContact O-N 2.87Å; Y513-R515 VanDerWaalsContact C-N 3.27Å; Y513-R515 PolarHBondContact O-N 3.2Å; R515-R518 PolarHBondContact O-N 3.06Å; R515-L519 VanDerWaalsContact O-CB 3.3Å; R515-L519 WeakPolarHBondContact O-CB 3.4Å; R515-L519 PolarHBondContact O-N 3.04Å
516	A	90.2	Very high	86.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-51.2	175.7	0	0	0	0	0	111.7	V507 L512 Y513 R518 L519 L520 L535 V563	V507-A516 HydrophobicContact CG2-CB 3.84Å; L512-A516 WeakPolarHBondContact O-CB 3.19Å; L512-A516 PolarHBondContact O-N 3.13Å; Y513-A516 WeakPolarHBondContact O-CB 3.4Å; Y513-A516 PolarHBondContact O-N 2.92Å; Y513-A516 VanDerWaalsContact O-N 3.17Å; A516-R518 PolarHBondContact O-N 3Å; A516-L519 WeakPolarHBondContact O-CB 3.22Å; A516-L519 PolarHBondContact O-N 2.93Å; A516-L519 VanDerWaalsContact O-N 3.17Å; A516-L520 WeakPolarHBondContact O-CG 3.49Å; A516-L520 PolarHBondContact O-N 3.13Å; A516-L535 HydrophobicContact CB-CD1 3.87Å; A516-L535 HydrophobicContact CB-CD2 3.79Å; A516-V563 HydrophobicContact CB-CG2 3.47Å; A516-V563 VanDerWaalsContact CB-CG2 3.47Å
517	A	90.1	Very high	87.1	Confident	3 Å²	3	31.3 Å²	31.3	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-47.3	178.7	0	0	0	0	0	112.3	Y513 L519 L520 Q521 E532 L535	Y513-A517 PolarHBondContact O-N 3.24Å; A517-L519 VanDerWaalsContact C-N 3.33Å; A517-L519 PolarHBondContact O-N 3.02Å; A517-L520 WeakPolarHBondContact O-CB 3.25Å; A517-L520 PolarHBondContact O-N 3.09Å; A517-Q521 WeakPolarHBondContact O-CG 3.39Å; A517-Q521 PolarHBondContact O-N 3.48Å; A517-E532 HydrophobicContact CB-CG 4.29Å; A517-L535 HydrophobicContact CB-CD2 4.33Å
518	R	89.1	Confident	87.4	Confident	70 Å²	70	36.4 Å²	36.4	26%	0.264	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-36.2	177.7	-72.1	-178.3	-71.8	-158.9	1.3	113	R514 R515 A516 K522	R514-R518 WeakPolarHBondContact O-CB 3.45Å; R514-R518 VanDerWaalsContact O-CG 3.29Å; R514-R518 WeakPolarHBondContact O-CG 3.33Å; R514-R518 PolarHBondContact O-N 3.42Å; R514-R518 VanDerWaalsContact O-N 3.07Å; R514-R518 PolarHBondContact O-NE 3.18Å; R514-R518 VanDerWaalsContact O-NE 3.11Å; R515-R518 PolarHBondContact O-N 3.06Å; A516-R518 PolarHBondContact O-N 3Å; R518-K522 VanDerWaalsContact O-CB 3.31Å; R518-K522 WeakPolarHBondContact O-CB 3.19Å; R518-K522 PolarHBondContact O-N 2.79Å
519	L	89.9	Confident	88	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-42.5	174.7	-179.4	58.3	0	0	0	111	Y501 M502 R515 A516 A517 K522 L523 V563	Y501-L519 HydrophobicContact CD1-CD1 3.7Å; Y501-L519 HydrophobicContact CD2-CD1 3.96Å; Y501-L519 HydrophobicContact CE1-CD1 4.41Å; Y501-L519 HydrophobicContact CG-CD1 3.45Å; Y501-L519 VanDerWaalsContact CG-CD1 3.45Å; M502-L519 WeakPolarHBondContact O-CD2 3.46Å; R515-L519 VanDerWaalsContact O-CB 3.3Å; R515-L519 WeakPolarHBondContact O-CB 3.4Å; R515-L519 PolarHBondContact O-N 3.04Å; A516-L519 WeakPolarHBondContact O-CB 3.22Å; A516-L519 PolarHBondContact O-N 2.93Å; A516-L519 VanDerWaalsContact O-N 3.17Å; A517-L519 VanDerWaalsContact C-N 3.33Å; A517-L519 PolarHBondContact O-N 3.02Å; L519-K522 PolarHBondContact O-N 3.05Å; L519-L523 HydrophobicContact CD1-CD1 3.7Å; L519-L523 HydrophobicContact CD1-CG 3.93Å; L519-L523 HydrophobicContact CG-CD1 3.97Å; L519-L523 HydrophobicContact CG-CG 4.48Å; L519-L523 WeakPolarHBondContact O-CB 3.36Å; L519-L523 VanDerWaalsContact O-CG 3.3Å; L519-L523 WeakPolarHBondContact O-CG 3.36Å; L519-L523 PolarHBondContact O-N 3.24Å; L519-V563 HydrophobicContact CD2-CG1 3.95Å
520	L	91	Very high	88.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-52.5	174.9	-66.9	175.7	0	0	0	110.9	A516 A517 K522 L523 S524 C531 L535 V563 A566 L567 L570	A516-L520 WeakPolarHBondContact O-CG 3.49Å; A516-L520 PolarHBondContact O-N 3.13Å; A517-L520 WeakPolarHBondContact O-CB 3.25Å; A517-L520 PolarHBondContact O-N 3.09Å; L520-K522 VanDerWaalsContact C-N 3.26Å; L520-K522 PolarHBondContact O-N 3.38Å; L520-L523 PolarHBondContact O-N 3.16Å; L520-L523 VanDerWaalsContact O-N 3.1Å; L520-S524 WeakPolarHBondContact O-CB 3.4Å; L520-S524 PolarHBondContact O-N 3.36Å; L520-S524 PolarHBondContact O-OG 3.01Å; L520-C531 HydrophobicContact CB-CB 3.87Å; L520-C531 HydrophobicContact CD1-CB 4.42Å; L520-C531 WeakPolarHBondContact CD1-O 3.32Å; L520-L535 HydrophobicContact CD1-CB 4.08Å; L520-L535 HydrophobicContact CD1-CD1 4.24Å; L520-V563 HydrophobicContact CD2-CG1 4.27Å; L520-A566 HydrophobicContact CD1-CB 3.64Å; L520-A566 HydrophobicContact CD2-CB 3.97Å; L520-A566 HydrophobicContact CG-CB 4.46Å; L520-L567 HydrophobicContact CD2-CB 3.62Å; L520-L567 HydrophobicContact CD2-CD1 4.16Å; L520-L567 HydrophobicContact CD2-CG 4.46Å; L520-L570 HydrophobicContact CB-CD1 4.04Å; L520-L570 HydrophobicContact CD1-CD1 4.24Å; L520-L570 HydrophobicContact CD2-CD1 4.22Å; L520-L570 HydrophobicContact CG-CD1 4.39Å
521	Q	91.7	Very high	89.2	Confident	53 Å²	53	42.7 Å²	42.7	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-53.2	-46	177.3	-70.3	177.4	-49.4	0	0	111.9	A517 L523 G525 E528 C531	A517-Q521 WeakPolarHBondContact O-CG 3.39Å; A517-Q521 PolarHBondContact O-N 3.48Å; Q521-L523 VanDerWaalsContact C-N 3.33Å; Q521-L523 PolarHBondContact O-N 3.21Å; Q521-G525 WeakPolarHBondContact O-CA 3.48Å; Q521-G525 PolarHBondContact O-N 2.92Å; Q521-E528 VanDerWaalsContact NE2-N 3.15Å; Q521-C531 VanDerWaalsContact CA-SG 3.54Å; Q521-C531 HydrophobicContact CG-CB 3.91Å; Q521-C531 WeakPolarHBondContact CG-SG 3.41Å; Q521-C531 PolarHBondContact N-SG 3.22Å
522	K	88.2	Confident	89.6	Confident	91 Å²	91	44.4 Å²	44.4	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-64.6	-36.7	-178.5	-173.8	172.4	-163.5	164	0	113	E25 Y501 R518 L519 L520	E25-K522 IonicContact OE1-NZ 3.47Å; E25-K522 PolarHBondContact OE1-NZ 3.24Å; E25-K522 IonicContact OE2-NZ 3.64Å; Y501-K522 HydrophobicContact CE1-CD 4.32Å; Y501-K522 WeakPolarHBondContact OH-CE 3.49Å; Y501-K522 PolarHBondContact OH-NZ 2.72Å; R518-K522 VanDerWaalsContact O-CB 3.31Å; R518-K522 WeakPolarHBondContact O-CB 3.19Å; R518-K522 PolarHBondContact O-N 2.79Å; L519-K522 PolarHBondContact O-N 3.05Å; L520-K522 VanDerWaalsContact C-N 3.26Å; L520-K522 PolarHBondContact O-N 3.38Å
523	L	87.8	Confident	89.9	Confident	19 Å²	19	47.9 Å²	47.9	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-88.7	-31.9	-175.9	-67.1	-178	0	0	0	113	F498 L519 L520 Q521 L567 M593	F498-L523 HydrophobicContact CD1-CD1 4.16Å; F498-L523 HydrophobicContact CD1-CD2 4.13Å; F498-L523 HydrophobicContact CE1-CD1 4.35Å; F498-L523 HydrophobicContact CE1-CD2 3.77Å; L519-L523 HydrophobicContact CD1-CD1 3.7Å; L519-L523 HydrophobicContact CD1-CG 3.93Å; L519-L523 HydrophobicContact CG-CD1 3.97Å; L519-L523 HydrophobicContact CG-CG 4.48Å; L519-L523 WeakPolarHBondContact O-CB 3.36Å; L519-L523 VanDerWaalsContact O-CG 3.3Å; L519-L523 WeakPolarHBondContact O-CG 3.36Å; L519-L523 PolarHBondContact O-N 3.24Å; L520-L523 PolarHBondContact O-N 3.16Å; L520-L523 VanDerWaalsContact O-N 3.1Å; Q521-L523 VanDerWaalsContact C-N 3.33Å; Q521-L523 PolarHBondContact O-N 3.21Å; L523-L567 HydrophobicContact CB-CD1 3.87Å; L523-L567 HydrophobicContact CB-CD2 4.11Å; L523-L567 HydrophobicContact CD1-CD2 3.8Å; L523-M593 HydrophobicContact CD1-CE 3.57Å
524	S	88.6	Confident	90.1	Very high	19 Å²	19	46.9 Å²	46.9	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-98.8	-20.1	-176.5	75.1	0	0	0	0	113.8	L520 H526	L520-S524 WeakPolarHBondContact O-CB 3.4Å; L520-S524 PolarHBondContact O-N 3.36Å; L520-S524 PolarHBondContact O-OG 3.01Å; S524-H526 WeakPolarHBondContact CB-ND1 3.45Å; S524-H526 PolarHBondContact O-N 3.03Å; S524-H526 PolarHBondContact O-ND1 3.11Å; S524-H526 WeakPolarHBondContact OG-CB 3.37Å; S524-H526 PolarHBondContact OG-N 3.31Å; S524-H526 VanDerWaalsContact OG-N 3.16Å; S524-H526 PolarHBondContact OG-ND1 2.78Å
525	G	88.6	Confident	90.4	Very high	70 Å²	70	43.9 Å²	43.9	72%	0.722	24%	0.238	S	C	*	.			trans	70.9	6	-172.4	0	0	0	0	0	114.9	Q521	Q521-G525 WeakPolarHBondContact O-CA 3.48Å; Q521-G525 PolarHBondContact O-N 2.92Å
526	H	92.6	Very high	90.5	Very high	67 Å²	67	43.8 Å²	43.8	31%	0.31	24%	0.239	S	C	.	.			trans	-80.6	165	-179.8	-69.5	63.6	0	0	0	112.2	S524 E530	S524-H526 WeakPolarHBondContact CB-ND1 3.45Å; S524-H526 PolarHBondContact O-N 3.03Å; S524-H526 PolarHBondContact O-ND1 3.11Å; S524-H526 WeakPolarHBondContact OG-CB 3.37Å; S524-H526 PolarHBondContact OG-N 3.31Å; S524-H526 VanDerWaalsContact OG-N 3.16Å; S524-H526 PolarHBondContact OG-ND1 2.78Å; H526-E530 HydrophobicContact CB-CB 4.14Å; H526-E530 IonicContact CD2-OE1 3.34Å; H526-E530 IonicContact CD2-OE2 3.89Å
527	S	93.2	Very high	90.5	Very high	58 Å²	58	45.6 Å²	45.6	41%	0.406	25%	0.247	S	C	.	.			trans	-67.3	163.8	178.4	69.5	0	0	0	0	112.7	S529 E530 C531	S527-S529 VanDerWaalsContact C-N 3.34Å; S527-S529 PolarHBondContact O-N 3.45Å; S527-E530 VanDerWaalsContact CB-OE2 3.3Å; S527-E530 WeakPolarHBondContact CB-OE2 3.3Å; S527-E530 PolarHBondContact N-OE2 3.26Å; S527-E530 PolarHBondContact O-N 2.99Å; S527-E530 VanDerWaalsContact OG-CD 3.31Å; S527-E530 VanDerWaalsContact OG-CG 3.3Å; S527-E530 WeakPolarHBondContact OG-CG 3.22Å; S527-E530 PolarHBondContact OG-N 2.9Å; S527-E530 PolarHBondContact OG-OE2 3.13Å; S527-C531 WeakPolarHBondContact O-CB 3.39Å; S527-C531 PolarHBondContact O-N 3.4Å; S527-C531 PolarHBondContact O-SG 3.39Å
528	E	89.6	Confident	90.5	Very high	111 Å²	111	45.5 Å²	45.5	52%	0.519	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-48.1	175.4	-161.4	164.5	-174.4	0	0	112.1	Q521 E530 C531 E532	Q521-E528 VanDerWaalsContact NE2-N 3.15Å; E528-E530 VanDerWaalsContact C-N 3.34Å; E528-E530 PolarHBondContact O-N 3.41Å; E528-C531 PolarHBondContact O-N 3.35Å; E528-C531 VanDerWaalsContact O-N 3.15Å; E528-E532 HydrophobicContact CG-CG 4.47Å; E528-E532 WeakPolarHBondContact O-CG 3.46Å; E528-E532 PolarHBondContact O-N 3.45Å
529	S	90.2	Very high	90.5	Very high	84 Å²	84	42.8 Å²	42.8	59%	0.587	24%	0.237	S	C	*	.	H	α-helix	trans	-59.1	-43.7	-179.4	-172.9	0	0	0	0	112.3	S527 E533	S527-S529 VanDerWaalsContact C-N 3.34Å; S527-S529 PolarHBondContact O-N 3.45Å; S529-E533 WeakPolarHBondContact O-CB 3.32Å; S529-E533 PolarHBondContact O-N 2.79Å
530	E	92.5	Very high	90.3	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-39.5	178.4	-69.9	165.3	126.5	0	0	111.3	H526 S527 E528 E533 A534 L570	H526-E530 HydrophobicContact CB-CB 4.14Å; H526-E530 IonicContact CD2-OE1 3.34Å; H526-E530 IonicContact CD2-OE2 3.89Å; S527-E530 VanDerWaalsContact CB-OE2 3.3Å; S527-E530 WeakPolarHBondContact CB-OE2 3.3Å; S527-E530 PolarHBondContact N-OE2 3.26Å; S527-E530 PolarHBondContact O-N 2.99Å; S527-E530 VanDerWaalsContact OG-CD 3.31Å; S527-E530 VanDerWaalsContact OG-CG 3.3Å; S527-E530 WeakPolarHBondContact OG-CG 3.22Å; S527-E530 PolarHBondContact OG-N 2.9Å; S527-E530 PolarHBondContact OG-OE2 3.13Å; E528-E530 VanDerWaalsContact C-N 3.34Å; E528-E530 PolarHBondContact O-N 3.41Å; E530-E533 PolarHBondContact O-N 3.26Å; E530-A534 WeakPolarHBondContact O-CB 3.48Å; E530-A534 PolarHBondContact O-N 2.87Å; E530-L570 HydrophobicContact CB-CD2 4.4Å
531	C	93.6	Very high	90.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.6	-41.3	178.1	-67.6	0	0	0	0	112.3	L520 Q521 S527 E528 L535	L520-C531 HydrophobicContact CB-CB 3.87Å; L520-C531 HydrophobicContact CD1-CB 4.42Å; L520-C531 WeakPolarHBondContact CD1-O 3.32Å; Q521-C531 VanDerWaalsContact CA-SG 3.54Å; Q521-C531 HydrophobicContact CG-CB 3.91Å; Q521-C531 WeakPolarHBondContact CG-SG 3.41Å; Q521-C531 PolarHBondContact N-SG 3.22Å; S527-C531 WeakPolarHBondContact O-CB 3.39Å; S527-C531 PolarHBondContact O-N 3.4Å; S527-C531 PolarHBondContact O-SG 3.39Å; E528-C531 PolarHBondContact O-N 3.35Å; E528-C531 VanDerWaalsContact O-N 3.15Å; C531-L535 VanDerWaalsContact O-CB 3.26Å; C531-L535 WeakPolarHBondContact O-CB 3.44Å; C531-L535 PolarHBondContact O-N 3.12Å
532	E	91.1	Very high	90	Very high	71 Å²	71	50 Å²	50	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-42.7	174.3	-71.7	-170.5	146.1	0	0	111.5	Y513 A517 E528 A534 L535 L536	Y513-E532 HydrophobicContact CE1-CG 4.44Å; A517-E532 HydrophobicContact CB-CG 4.29Å; E528-E532 HydrophobicContact CG-CG 4.47Å; E528-E532 WeakPolarHBondContact O-CG 3.46Å; E528-E532 PolarHBondContact O-N 3.45Å; E532-A534 PolarHBondContact O-N 3.14Å; E532-L535 WeakPolarHBondContact O-CB 3.31Å; E532-L535 PolarHBondContact O-N 2.76Å; E532-L536 WeakPolarHBondContact O-CG 3.4Å; E532-L536 PolarHBondContact O-N 2.99Å
533	E	90.5	Very high	90	Very high	80 Å²	80	49.9 Å²	49.9	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-48.5	175.3	-175.9	-176.1	159.4	0	0	111.4	S529 E530 L535 L536 K537 L545	S529-E533 WeakPolarHBondContact O-CB 3.32Å; S529-E533 PolarHBondContact O-N 2.79Å; E530-E533 PolarHBondContact O-N 3.26Å; E533-L535 VanDerWaalsContact C-N 3.29Å; E533-L535 PolarHBondContact O-N 3.2Å; E533-L536 PolarHBondContact O-N 3.44Å; E533-K537 WeakPolarHBondContact O-CG 3.5Å; E533-K537 PolarHBondContact O-N 3.11Å; E533-K537 WeakPolarHBondContact OE1-CE 3.25Å; E533-K537 IonicContact OE1-NZ 2.63Å; E533-K537 PolarHBondContact OE1-NZ 3.32Å; E533-L545 HydrophobicContact CB-CD1 4.48Å; E533-L545 HydrophobicContact CG-CD1 3.77Å; E533-L545 HydrophobicContact CG-CG 4.46Å
534	A	91.9	Very high	89.9	Confident	4 Å²	4	57.6 Å²	57.6	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-35.8	177.5	0	0	0	0	0	112.5	E530 E532 K537 A538 A566 L570	E530-A534 WeakPolarHBondContact O-CB 3.48Å; E530-A534 PolarHBondContact O-N 2.87Å; E532-A534 PolarHBondContact O-N 3.14Å; A534-K537 PolarHBondContact O-N 3.5Å; A534-A538 WeakPolarHBondContact O-CB 3.22Å; A534-A538 PolarHBondContact O-N 2.85Å; A534-A566 HydrophobicContact CB-CB 4.3Å; A534-L570 HydrophobicContact CB-CD1 3.8Å; A534-L570 HydrophobicContact CB-CD2 3.61Å; A534-L570 HydrophobicContact CB-CG 3.43Å; A534-L570 VanDerWaalsContact CB-CG 3.43Å
535	L	91.2	Very high	89.7	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-44.3	176.1	-170.7	61.5	0	0	0	111.1	V507 Y513 A516 A517 L520 C531 E532 E533 A538 I539 V562 A566	V507-L535 HydrophobicContact CG2-CD1 4.45Å; Y513-L535 HydrophobicContact CD2-CD2 3.51Å; Y513-L535 HydrophobicContact CD2-CG 4.27Å; Y513-L535 HydrophobicContact CE1-CD2 4.4Å; Y513-L535 HydrophobicContact CE2-CD2 3.38Å; Y513-L535 HydrophobicContact CE2-CG 3.91Å; Y513-L535 HydrophobicContact CG-CD2 4.11Å; A516-L535 HydrophobicContact CB-CD1 3.87Å; A516-L535 HydrophobicContact CB-CD2 3.79Å; A517-L535 HydrophobicContact CB-CD2 4.33Å; L520-L535 HydrophobicContact CD1-CB 4.08Å; L520-L535 HydrophobicContact CD1-CD1 4.24Å; C531-L535 VanDerWaalsContact O-CB 3.26Å; C531-L535 WeakPolarHBondContact O-CB 3.44Å; C531-L535 PolarHBondContact O-N 3.12Å; E532-L535 WeakPolarHBondContact O-CB 3.31Å; E532-L535 PolarHBondContact O-N 2.76Å; E533-L535 VanDerWaalsContact C-N 3.29Å; E533-L535 PolarHBondContact O-N 3.2Å; L535-A538 PolarHBondContact O-N 2.75Å; L535-I539 HydrophobicContact CG-CD1 4.05Å; L535-I539 WeakPolarHBondContact O-CB 3.38Å; L535-I539 VanDerWaalsContact O-CG1 3.24Å; L535-I539 WeakPolarHBondContact O-CG1 3.28Å; L535-I539 PolarHBondContact O-N 3.17Å; L535-V562 HydrophobicContact CD1-CG1 3.47Å; L535-V562 VanDerWaalsContact CD1-CG1 3.47Å; L535-A566 HydrophobicContact CD1-CB 4.45Å
536	L	89.5	Confident	89.3	Confident	24 Å²	24	58.1 Å²	58.1	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-44.1	174.3	-69	170.9	0	0	0	111.4	Y513 E532 E533 A538 I539 Y540 L545	Y513-L536 HydrophobicContact CE2-CD2 4.45Å; E532-L536 WeakPolarHBondContact O-CG 3.4Å; E532-L536 PolarHBondContact O-N 2.99Å; E533-L536 PolarHBondContact O-N 3.44Å; L536-A538 VanDerWaalsContact C-N 3.28Å; L536-A538 PolarHBondContact O-N 3.21Å; L536-I539 PolarHBondContact O-N 2.86Å; L536-Y540 HydrophobicContact CD2-CD2 4.45Å; L536-Y540 HydrophobicContact CD2-CE2 3.96Å; L536-Y540 VanDerWaalsContact O-CD2 3.28Å; L536-Y540 WeakPolarHBondContact O-CD2 3.28Å; L536-Y540 PolarHBondContact O-N 3.13Å; L536-L545 HydrophobicContact CB-CD1 3.86Å; L536-L545 HydrophobicContact CB-CD2 3.74Å; L536-L545 HydrophobicContact CB-CG 4.49Å; L536-L545 HydrophobicContact CD1-CD1 3.9Å
537	K	90.2	Very high	88.3	Confident	38 Å²	38	63.2 Å²	63.2	17%	0.165	32%	0.319	C	S	.	.	H	α-helix	trans	-56.5	-43.3	174.5	-75.4	178.5	-175.1	168.4	0	111.9	E533 A534 Q541 V542 D543 L545 M576	E533-K537 WeakPolarHBondContact O-CG 3.5Å; E533-K537 PolarHBondContact O-N 3.11Å; E533-K537 WeakPolarHBondContact OE1-CE 3.25Å; E533-K537 IonicContact OE1-NZ 2.63Å; E533-K537 PolarHBondContact OE1-NZ 3.32Å; A534-K537 PolarHBondContact O-N 3.5Å; K537-Q541 WeakPolarHBondContact O-CA 3.2Å; K537-Q541 PolarHBondContact O-N 3.07Å; K537-V542 VanDerWaalsContact CB-O 3.23Å; K537-V542 WeakPolarHBondContact CB-O 3.5Å; K537-V542 WeakPolarHBondContact CG-O 3.39Å; K537-V542 PolarHBondContact O-N 3.46Å; K537-D543 WeakPolarHBondContact CE-O 3.04Å; K537-L545 HydrophobicContact CG-CD2 3.9Å; K537-L545 HydrophobicContact CG-CG 4.2Å; K537-M576 HydrophobicContact CB-SD 4.49Å
538	A	90.6	Very high	87	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-69.7	-38.2	177.5	0	0	0	0	0	113.5	A534 L535 L536 V562 L565 A566 M576	A534-A538 WeakPolarHBondContact O-CB 3.22Å; A534-A538 PolarHBondContact O-N 2.85Å; L535-A538 PolarHBondContact O-N 2.75Å; L536-A538 VanDerWaalsContact C-N 3.28Å; L536-A538 PolarHBondContact O-N 3.21Å; A538-V562 HydrophobicContact CB-CG1 4.19Å; A538-V562 WeakPolarHBondContact CB-O 3.4Å; A538-L565 HydrophobicContact CB-CB 3.87Å; A538-A566 HydrophobicContact CB-CB 3.81Å; A538-M576 HydrophobicContact CB-CE 4.28Å
539	I	87.4	Confident	85.9	Confident	14 Å²	14	63 Å²	63	7%	0.072	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-48.4	176.9	-78.3	167.9	0	0	0	111	V507 Y513 L535 L536 L554 A556 V562	V507-I539 HydrophobicContact CG1-CD1 4.25Å; Y513-I539 HydrophobicContact CD2-CD1 4.15Å; Y513-I539 HydrophobicContact CE2-CD1 4.05Å; L535-I539 HydrophobicContact CG-CD1 4.05Å; L535-I539 WeakPolarHBondContact O-CB 3.38Å; L535-I539 VanDerWaalsContact O-CG1 3.24Å; L535-I539 WeakPolarHBondContact O-CG1 3.28Å; L535-I539 PolarHBondContact O-N 3.17Å; L536-I539 PolarHBondContact O-N 2.86Å; I539-L554 HydrophobicContact CD1-CD2 4.41Å; I539-A556 HydrophobicContact CB-CB 4.37Å; I539-A556 HydrophobicContact CD1-CB 4.3Å; I539-A556 HydrophobicContact CG1-CB 4.2Å; I539-A556 HydrophobicContact CG2-CB 3.34Å; I539-V562 HydrophobicContact CG1-CG1 3.7Å; I539-V562 HydrophobicContact CG1-CG2 4.39Å
540	Y	86.6	Confident	84.5	Confident	69 Å²	69	62 Å²	62	27%	0.271	31%	0.314	S	S	.	.	H	α-helix	trans	-89.3	-5.3	-175.9	-69.8	-78.3	0	0	0	113.1	L536 I549 C552	L536-Y540 HydrophobicContact CD2-CD2 4.45Å; L536-Y540 HydrophobicContact CD2-CE2 3.96Å; L536-Y540 VanDerWaalsContact O-CD2 3.28Å; L536-Y540 WeakPolarHBondContact O-CD2 3.28Å; L536-Y540 PolarHBondContact O-N 3.13Å; Y540-I549 HydrophobicContact CD1-CG1 4.42Å; Y540-I549 HydrophobicContact CD1-CG2 4.31Å; Y540-I549 HydrophobicContact CD2-CG2 3.29Å; Y540-I549 HydrophobicContact CE1-CG2 4.42Å; Y540-I549 HydrophobicContact CE2-CG2 3.46Å; Y540-I549 VanDerWaalsContact CE2-CG2 3.46Å; Y540-I549 HydrophobicContact CG-CD1 4.41Å; Y540-I549 HydrophobicContact CG-CG2 3.77Å; Y540-C552 WeakPolarHBondContact OH-CB 3.38Å
541	Q	87.6	Confident	82.8	Confident	105 Å²	105	63.6 Å²	63.6	49%	0.491	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	50.1	-176.2	-61.2	-177.1	4.6	0	0	112.8	K537	K537-Q541 WeakPolarHBondContact O-CA 3.2Å; K537-Q541 PolarHBondContact O-N 3.07Å
542	V	88.9	Confident	81	Confident	40 Å²	40	66.7 Å²	66.7	24%	0.242	35%	0.351	C	S	.	.			trans	-128.7	148.8	-178.9	-64.9	0	0	0	0	111.7	K537 K544 L545 M576	K537-V542 VanDerWaalsContact CB-O 3.23Å; K537-V542 WeakPolarHBondContact CB-O 3.5Å; K537-V542 WeakPolarHBondContact CG-O 3.39Å; K537-V542 PolarHBondContact O-N 3.46Å; V542-K544 WeakPolarHBondContact CG2-O 3.12Å; V542-L545 HydrophobicContact CG2-CD2 3.99Å; V542-M576 WeakPolarHBondContact O-CG 3.32Å
543	D	87.3	Confident	79.3	Confident	88 Å²	88	66.9 Å²	66.9	47%	0.471	36%	0.359	S	S	.	.	S	Bend	trans	-81.1	-23.4	175.2	-64.5	-45	0	0	0	112.9	K537 S575 M576	K537-D543 WeakPolarHBondContact CE-O 3.04Å; D543-S575 VanDerWaalsContact OD1-CA 3.29Å; D543-S575 WeakPolarHBondContact OD1-CA 3.42Å; D543-S575 WeakPolarHBondContact OD1-CB 3.29Å; D543-M576 PolarHBondContact OD1-N 3.46Å
544	K	87	Confident	77.8	Confident	181 Å²	181	65.7 Å²	65.7	79%	0.787	36%	0.355	S	S	*	.	S	Bend	trans	-135.8	133	-179.7	-65.5	-175.9	179.7	-178.9	0	110	V542	V542-K544 WeakPolarHBondContact CG2-O 3.12Å
545	L	84.3	Confident	75.8	Confident	48 Å²	48	71.6 Å²	71.6	25%	0.251	39%	0.386	S	S	.	.			trans	-79.1	137	175	-56.1	-179.7	0	0	0	109.8	E533 L536 K537 V542 I549	E533-L545 HydrophobicContact CB-CD1 4.48Å; E533-L545 HydrophobicContact CG-CD1 3.77Å; E533-L545 HydrophobicContact CG-CG 4.46Å; L536-L545 HydrophobicContact CB-CD1 3.86Å; L536-L545 HydrophobicContact CB-CD2 3.74Å; L536-L545 HydrophobicContact CB-CG 4.49Å; L536-L545 HydrophobicContact CD1-CD1 3.9Å; K537-L545 HydrophobicContact CG-CD2 3.9Å; K537-L545 HydrophobicContact CG-CG 4.2Å; V542-L545 HydrophobicContact CG2-CD2 3.99Å; L545-I549 HydrophobicContact CD2-CG2 3.86Å
546	S	79.3	Confident	73.9	Confident	52 Å²	52	72.4 Å²	72.4	36%	0.364	39%	0.393	S	S	.	.			trans	-84.6	161	164.2	62.1	0	0	0	0	110.2	D548 I549 A550	S546-D548 PolarHBondContact O-N 2.95Å; S546-I549 PolarHBondContact O-N 3.31Å; S546-I549 VanDerWaalsContact O-N 3.08Å; S546-I549 WeakPolarHBondContact OG-CD1 3.43Å; S546-I549 VanDerWaalsContact OG-CG1 3.29Å; S546-I549 WeakPolarHBondContact OG-CG1 3.29Å; S546-I549 PolarHBondContact OG-N 3.39Å; S546-A550 PolarHBondContact O-N 3.39Å; S546-A550 VanDerWaalsContact O-N 3.13Å
547	E	71.2	Confident	72	Confident	175 Å²	175	74.7 Å²	74.7	82%	0.818	42%	0.416	S	S	*	.	H	α-helix	trans	-57.3	-34.6	175.1	-69.9	-177.9	170	0	0	112.1	A550 T551	E547-A550 PolarHBondContact O-N 3.16Å; E547-T551 PolarHBondContact O-OG1 2.75Å
548	D	65.8	Low	70.6	Confident	132 Å²	132	82.2 Å²	82.2	71%	0.706	45%	0.448	S	S	*	.	H	α-helix	trans	-66.4	-35.9	176.6	-58.6	-35.3	0	0	0	112.6	S546 T551 C552	S546-D548 PolarHBondContact O-N 2.95Å; D548-T551 PolarHBondContact O-OG1 3.04Å; D548-C552 WeakPolarHBondContact O-CB 3.37Å; D548-C552 PolarHBondContact O-N 2.93Å
549	I	67.8	Low	69.7	Low	32 Å²	32	83 Å²	83	16%	0.164	46%	0.455	C	S	.	.	H	α-helix	trans	-75.1	-36.6	179.8	-71.4	170.3	0	0	0	111	Y540 L545 S546 T551 C552	Y540-I549 HydrophobicContact CD1-CG1 4.42Å; Y540-I549 HydrophobicContact CD1-CG2 4.31Å; Y540-I549 HydrophobicContact CD2-CG2 3.29Å; Y540-I549 HydrophobicContact CE1-CG2 4.42Å; Y540-I549 HydrophobicContact CE2-CG2 3.46Å; Y540-I549 VanDerWaalsContact CE2-CG2 3.46Å; Y540-I549 HydrophobicContact CG-CD1 4.41Å; Y540-I549 HydrophobicContact CG-CG2 3.77Å; L545-I549 HydrophobicContact CD2-CG2 3.86Å; S546-I549 PolarHBondContact O-N 3.31Å; S546-I549 VanDerWaalsContact O-N 3.08Å; S546-I549 WeakPolarHBondContact OG-CD1 3.43Å; S546-I549 VanDerWaalsContact OG-CG1 3.29Å; S546-I549 WeakPolarHBondContact OG-CG1 3.29Å; S546-I549 PolarHBondContact OG-N 3.39Å; I549-T551 PolarHBondContact O-N 3.14Å; I549-C552 PolarHBondContact O-N 3.47Å
550	A	60.9	Low	69.3	Low	63 Å²	63	88.7 Å²	88.7	52%	0.521	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-16.8	179.4	0	0	0	0	0	113.4	S546 E547	S546-A550 PolarHBondContact O-N 3.39Å; S546-A550 VanDerWaalsContact O-N 3.13Å; E547-A550 PolarHBondContact O-N 3.16Å
551	T	56.4	Low	69.3	Low	119 Å²	119	88.5 Å²	88.5	73%	0.73	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-3.1	-177.1	55.3	0	0	0	0	114	E547 D548 I549	E547-T551 PolarHBondContact O-OG1 2.75Å; D548-T551 PolarHBondContact O-OG1 3.04Å; I549-T551 PolarHBondContact O-N 3.14Å
552	C	55.8	Low	69.3	Low	66 Å²	66	83.7 Å²	83.7	45%	0.446	46%	0.457	S	S	.	.	S	Bend	trans	-77.2	148	-174.6	-163.4	0	0	0	0	113	Y540 D548 I549	Y540-C552 WeakPolarHBondContact OH-CB 3.38Å; D548-C552 WeakPolarHBondContact O-CB 3.37Å; D548-C552 PolarHBondContact O-N 2.93Å; I549-C552 PolarHBondContact O-N 3.47Å
553	S	54.8	Low	69.4	Low	74 Å²	74	81.8 Å²	81.8	52%	0.517	45%	0.446	S	S	.	.			trans	-60.3	150.2	169.8	40.5	0	0	0	0	111.2	D555	S553-D555 PolarHBondContact O-N 3.26Å; S553-D555 PolarHBondContact OG-OD2 3.22Å
554	L	59.6	Low	69.5	Low	55 Å²	55	77.6 Å²	77.6	29%	0.288	42%	0.423	S	S	.	.			trans	-69.2	52.6	178.8	-67.1	168.2	0	0	0	112.9	Y513 I539 A556	Y513-L554 HydrophobicContact CD1-CD1 4.18Å; Y513-L554 HydrophobicContact CD2-CD1 3.85Å; Y513-L554 HydrophobicContact CD2-CD2 3.25Å; Y513-L554 HydrophobicContact CD2-CG 4.19Å; Y513-L554 HydrophobicContact CE2-CD2 3.44Å; Y513-L554 VanDerWaalsContact CE2-CD2 3.44Å; Y513-L554 HydrophobicContact CG-CD1 3.61Å; Y513-L554 HydrophobicContact CG-CD2 3.94Å; Y513-L554 HydrophobicContact CG-CG 4.44Å; I539-L554 HydrophobicContact CD1-CD2 4.41Å; L554-A556 PolarHBondContact O-N 3.45Å
555	D	50.7	Low	69.6	Low	128 Å²	128	69.3 Å²	69.3	68%	0.684	39%	0.388	S	S	*	.			trans	-73.5	25.1	175.6	-69.8	-47	0	0	0	112.7	S553 A557	S553-D555 PolarHBondContact O-N 3.26Å; S553-D555 PolarHBondContact OG-OD2 3.22Å; D555-A557 PolarHBondContact O-N 2.88Å
556	A	50.5	Low	70	Confident	18 Å²	18	67 Å²	67	15%	0.149	38%	0.376	C	S	.	.			trans	-74	48.1	-176.9	0	0	0	0	0	113.2	I539 L554 K558	I539-A556 HydrophobicContact CB-CB 4.37Å; I539-A556 HydrophobicContact CD1-CB 4.3Å; I539-A556 HydrophobicContact CG1-CB 4.2Å; I539-A556 HydrophobicContact CG2-CB 3.34Å; L554-A556 PolarHBondContact O-N 3.45Å; A556-K558 PolarHBondContact O-N 2.77Å; A556-K558 VanDerWaalsContact O-N 3.16Å
557	A	50.3	Low	70.5	Confident	72 Å²	72	64.6 Å²	64.6	60%	0.595	36%	0.359	S	S	*	.			trans	-78.5	8.4	-173.6	0	0	0	0	0	115	D555	D555-A557 PolarHBondContact O-N 2.88Å
558	K	59.9	Low	71.4	Confident	196 Å²	196	56.3 Å²	56.3	85%	0.852	32%	0.32	S	S	*	.	S	Bend	trans	-136.4	-14.3	-171.4	-67.5	-175.1	-178.6	176.7	0	117.2	A556 K560	A556-K558 PolarHBondContact O-N 2.77Å; A556-K558 VanDerWaalsContact O-N 3.16Å; K558-K560 PolarHBondContact O-N 3.29Å
559	A	72.3	Confident	72.5	Confident	17 Å²	17	50.8 Å²	50.8	14%	0.14	29%	0.292	C	S	.	.			trans	-72.9	127.5	-179	0	0	0	0	0	110.6	V562	A559-V562 HydrophobicContact CB-CG2 3.43Å; A559-V562 VanDerWaalsContact CB-CG2 3.43Å; A559-V562 WeakPolarHBondContact O-CG2 3.47Å
560	K	79.2	Confident	73.6	Confident	132 Å²	132	50.6 Å²	50.6	57%	0.574	29%	0.291	S	S	*	.	S	Bend	trans	-95.1	152.7	175.3	-65.9	-174.3	177.6	-174.3	0	109.6	K558 V562	K558-K560 PolarHBondContact O-N 3.29Å; K560-V562 PolarHBondContact O-N 3.02Å
561	K	84.9	Confident	74.9	Confident	65 Å²	65	48.8 Å²	48.8	28%	0.283	27%	0.273	S	S	.	.	S	Bend	trans	56.2	30.8	176.9	-54.4	179.3	179.2	-179.3	0	114.4	D504 V563 P564 L565	D504-K561 VanDerWaalsContact OD1-CA 3.22Å; D504-K561 WeakPolarHBondContact OD1-CA 3.11Å; D504-K561 PolarHBondContact OD1-N 3Å; K561-V563 PolarHBondContact O-N 3.23Å; K561-P564 HydrophobicContact CB-CB 4.47Å; K561-P564 HydrophobicContact CB-CG 4.35Å; K561-P564 WeakPolarHBondContact O-CD 3.27Å; K561-L565 HydrophobicContact CB-CG 4.49Å; K561-L565 WeakPolarHBondContact O-CB 3.25Å; K561-L565 WeakPolarHBondContact O-CG 3.46Å; K561-L565 PolarHBondContact O-N 3.34Å
562	V	88.8	Confident	76.3	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-55.2	-51.2	-176.4	170.5	0	0	0	0	112.4	V507 L535 A538 I539 A559 K560 L565 A566	V507-V562 HydrophobicContact CG2-CB 4.34Å; V507-V562 HydrophobicContact CG2-CG1 4Å; L535-V562 HydrophobicContact CD1-CG1 3.47Å; L535-V562 VanDerWaalsContact CD1-CG1 3.47Å; A538-V562 HydrophobicContact CB-CG1 4.19Å; A538-V562 WeakPolarHBondContact CB-O 3.4Å; I539-V562 HydrophobicContact CG1-CG1 3.7Å; I539-V562 HydrophobicContact CG1-CG2 4.39Å; A559-V562 HydrophobicContact CB-CG2 3.43Å; A559-V562 VanDerWaalsContact CB-CG2 3.43Å; A559-V562 WeakPolarHBondContact O-CG2 3.47Å; K560-V562 PolarHBondContact O-N 3.02Å; V562-L565 PolarHBondContact O-N 3.22Å; V562-A566 WeakPolarHBondContact O-CB 3.43Å; V562-A566 PolarHBondContact O-N 2.88Å
563	V	90.1	Very high	77.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-44.7	-178.8	167.3	0	0	0	0	112.1	I503 L505 A516 L519 L520 K561 L565 A566 L567	I503-V563 WeakPolarHBondContact O-CB 3.46Å; L505-V563 HydrophobicContact CG-CG2 4.34Å; A516-V563 HydrophobicContact CB-CG2 3.47Å; A516-V563 VanDerWaalsContact CB-CG2 3.47Å; L519-V563 HydrophobicContact CD2-CG1 3.95Å; L520-V563 HydrophobicContact CD2-CG1 4.27Å; K561-V563 PolarHBondContact O-N 3.23Å; V563-L565 VanDerWaalsContact C-N 3.34Å; V563-L565 PolarHBondContact O-N 3.47Å; V563-A566 PolarHBondContact O-N 3.46Å; V563-L567 WeakPolarHBondContact O-CB 3.44Å; V563-L567 PolarHBondContact O-N 3.42Å
564	P	89.4	Confident	79.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-43.6	175.3	-30.9	34.6	0	0	0	112.9	I503 K561 L567 V568 L583 V589	I503-P564 WeakPolarHBondContact O-CD 3.41Å; K561-P564 HydrophobicContact CB-CB 4.47Å; K561-P564 HydrophobicContact CB-CG 4.35Å; K561-P564 WeakPolarHBondContact O-CD 3.27Å; P564-L567 PolarHBondContact O-N 2.81Å; P564-V568 WeakPolarHBondContact O-CB 3.48Å; P564-V568 WeakPolarHBondContact O-CG2 3.41Å; P564-V568 PolarHBondContact O-N 2.85Å; P564-L583 HydrophobicContact CB-CD1 3.77Å; P564-L583 HydrophobicContact CB-CD2 4.4Å; P564-V589 HydrophobicContact CB-CG1 3.59Å; P564-V589 HydrophobicContact CG-CG1 3.3Å
565	L	90.8	Very high	80.9	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-51.5	176.3	-71.7	169.1	0	0	0	110.5	A538 K561 V562 V563 L567 V568 C569 M576 V579 E580 L583	A538-L565 HydrophobicContact CB-CB 3.87Å; K561-L565 HydrophobicContact CB-CG 4.49Å; K561-L565 WeakPolarHBondContact O-CB 3.25Å; K561-L565 WeakPolarHBondContact O-CG 3.46Å; K561-L565 PolarHBondContact O-N 3.34Å; V562-L565 PolarHBondContact O-N 3.22Å; V563-L565 VanDerWaalsContact C-N 3.34Å; V563-L565 PolarHBondContact O-N 3.47Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.03Å; L565-V568 PolarHBondContact O-N 3.29Å; L565-C569 VanDerWaalsContact O-CB 3.24Å; L565-C569 WeakPolarHBondContact O-CB 3.42Å; L565-C569 PolarHBondContact O-N 3.37Å; L565-M576 HydrophobicContact CB-CE 3.98Å; L565-M576 HydrophobicContact CD1-CE 4.13Å; L565-M576 HydrophobicContact CD2-CE 4.14Å; L565-M576 HydrophobicContact CG-CE 4.31Å; L565-V579 HydrophobicContact CD2-CG1 3.92Å; L565-E580 HydrophobicContact CD2-CB 4.45Å; L565-E580 HydrophobicContact CD2-CG 3.56Å; L565-L583 HydrophobicContact CD2-CD1 3.66Å; L565-L583 HydrophobicContact CG-CD1 3.96Å
566	A	91.8	Very high	82.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-43	179.4	0	0	0	0	0	112.1	L520 A534 L535 A538 V562 V563 C569 L570	L520-A566 HydrophobicContact CD1-CB 3.64Å; L520-A566 HydrophobicContact CD2-CB 3.97Å; L520-A566 HydrophobicContact CG-CB 4.46Å; A534-A566 HydrophobicContact CB-CB 4.3Å; L535-A566 HydrophobicContact CD1-CB 4.45Å; A538-A566 HydrophobicContact CB-CB 3.81Å; V562-A566 WeakPolarHBondContact O-CB 3.43Å; V562-A566 PolarHBondContact O-N 2.88Å; V563-A566 PolarHBondContact O-N 3.46Å; A566-C569 PolarHBondContact O-N 3.37Å; A566-L570 VanDerWaalsContact O-CG 3.31Å; A566-L570 WeakPolarHBondContact O-CG 3.41Å; A566-L570 PolarHBondContact O-N 2.98Å
567	L	90.1	Very high	84.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-46.6	-179.5	-176.4	63.3	0	0	0	112.1	L520 L523 V563 P564 L565 C569 L570 L571 M593	L520-L567 HydrophobicContact CD2-CB 3.62Å; L520-L567 HydrophobicContact CD2-CD1 4.16Å; L520-L567 HydrophobicContact CD2-CG 4.46Å; L523-L567 HydrophobicContact CB-CD1 3.87Å; L523-L567 HydrophobicContact CB-CD2 4.11Å; L523-L567 HydrophobicContact CD1-CD2 3.8Å; V563-L567 WeakPolarHBondContact O-CB 3.44Å; V563-L567 PolarHBondContact O-N 3.42Å; P564-L567 PolarHBondContact O-N 2.81Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.03Å; L567-C569 VanDerWaalsContact C-N 3.29Å; L567-C569 PolarHBondContact O-N 3.17Å; L567-L570 WeakPolarHBondContact O-CB 3.47Å; L567-L570 PolarHBondContact O-N 3.02Å; L567-L571 HydrophobicContact CD1-CD1 4.05Å; L567-L571 HydrophobicContact CD1-CG 4.11Å; L567-L571 HydrophobicContact CD2-CD1 4.41Å; L567-L571 HydrophobicContact CG-CD1 3.87Å; L567-L571 HydrophobicContact CG-CG 4.3Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.01Å; L567-L571 PolarHBondContact O-N 3.27Å; L567-M593 HydrophobicContact CD2-CE 3.17Å; L567-M593 HydrophobicContact CD2-CG 4.16Å; L567-M593 HydrophobicContact CD2-SD 4.37Å
568	V	89	Confident	86.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-36.9	179.4	175.6	0	0	0	0	110.2	P564 L565 L571 T572 V579 L583	P564-V568 WeakPolarHBondContact O-CB 3.48Å; P564-V568 WeakPolarHBondContact O-CG2 3.41Å; P564-V568 PolarHBondContact O-N 2.85Å; L565-V568 PolarHBondContact O-N 3.29Å; V568-L571 PolarHBondContact O-N 3.28Å; V568-T572 HydrophobicContact CG1-CG2 4.13Å; V568-T572 WeakPolarHBondContact O-CB 3.49Å; V568-T572 WeakPolarHBondContact O-CG2 3.41Å; V568-T572 PolarHBondContact O-N 3.24Å; V568-T572 VanDerWaalsContact O-N 3.07Å; V568-T572 PolarHBondContact O-OG1 2.98Å; V568-V579 HydrophobicContact CB-CG1 3.66Å; V568-V579 HydrophobicContact CG1-CB 4.38Å; V568-V579 HydrophobicContact CG1-CG1 3.71Å; V568-V579 HydrophobicContact CG1-CG2 4.12Å; V568-L583 HydrophobicContact CG2-CD2 4.13Å
569	C	90.4	Very high	87.8	Confident	17 Å²	17	35.5 Å²	35.5	12%	0.115	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-49.8	171.3	-174.9	0	0	0	0	111.2	L565 A566 L567 L571 T572 G573 V579	L565-C569 VanDerWaalsContact O-CB 3.24Å; L565-C569 WeakPolarHBondContact O-CB 3.42Å; L565-C569 PolarHBondContact O-N 3.37Å; A566-C569 PolarHBondContact O-N 3.37Å; L567-C569 VanDerWaalsContact C-N 3.29Å; L567-C569 PolarHBondContact O-N 3.17Å; C569-L571 PolarHBondContact O-N 3.1Å; C569-T572 PolarHBondContact O-N 3.47Å; C569-G573 WeakPolarHBondContact O-CA 3.22Å; C569-G573 PolarHBondContact O-N 2.94Å; C569-V579 HydrophobicContact CB-CG2 4.15Å
570	L	90.1	Very high	88.6	Confident	27 Å²	27	37.4 Å²	37.4	14%	0.141	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-47.4	177.1	-75.9	166.6	0	0	0	112.9	L520 E530 A534 A566 L567 T572	L520-L570 HydrophobicContact CB-CD1 4.04Å; L520-L570 HydrophobicContact CD1-CD1 4.24Å; L520-L570 HydrophobicContact CD2-CD1 4.22Å; L520-L570 HydrophobicContact CG-CD1 4.39Å; E530-L570 HydrophobicContact CB-CD2 4.4Å; A534-L570 HydrophobicContact CB-CD1 3.8Å; A534-L570 HydrophobicContact CB-CD2 3.61Å; A534-L570 HydrophobicContact CB-CG 3.43Å; A534-L570 VanDerWaalsContact CB-CG 3.43Å; A566-L570 VanDerWaalsContact O-CG 3.31Å; A566-L570 WeakPolarHBondContact O-CG 3.41Å; A566-L570 PolarHBondContact O-N 2.98Å; L567-L570 WeakPolarHBondContact O-CB 3.47Å; L567-L570 PolarHBondContact O-N 3.02Å; L570-T572 VanDerWaalsContact C-N 3.31Å; L570-T572 PolarHBondContact O-N 3.29Å
571	L	87.4	Confident	89	Confident	26 Å²	26	33.6 Å²	33.6	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-72.9	-22.9	-174.4	-68.4	175.5	0	0	0	113.6	L567 V568 C569 C596 L597	L567-L571 HydrophobicContact CD1-CD1 4.05Å; L567-L571 HydrophobicContact CD1-CG 4.11Å; L567-L571 HydrophobicContact CD2-CD1 4.41Å; L567-L571 HydrophobicContact CG-CD1 3.87Å; L567-L571 HydrophobicContact CG-CG 4.3Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.01Å; L567-L571 PolarHBondContact O-N 3.27Å; V568-L571 PolarHBondContact O-N 3.28Å; C569-L571 PolarHBondContact O-N 3.1Å; L571-C596 HydrophobicContact CB-CB 4.43Å; L571-C596 HydrophobicContact CD1-CB 3.99Å; L571-L597 HydrophobicContact CD1-CD2 3.6Å; L571-L597 HydrophobicContact CD1-CG 3.78Å; L571-L597 HydrophobicContact CD2-CD2 3.95Å; L571-L597 HydrophobicContact CG-CD2 4.45Å
572	T	86.4	Confident	89.1	Confident	44 Å²	44	35.4 Å²	35.4	27%	0.27	20%	0.196	S	C	.	.	H	α-helix	trans	-119.6	-15	-169.3	68.5	0	0	0	0	114.1	V568 C569 L570 C574 C596	V568-T572 HydrophobicContact CG1-CG2 4.13Å; V568-T572 WeakPolarHBondContact O-CB 3.49Å; V568-T572 WeakPolarHBondContact O-CG2 3.41Å; V568-T572 PolarHBondContact O-N 3.24Å; V568-T572 VanDerWaalsContact O-N 3.07Å; V568-T572 PolarHBondContact O-OG1 2.98Å; C569-T572 PolarHBondContact O-N 3.47Å; L570-T572 VanDerWaalsContact C-N 3.31Å; L570-T572 PolarHBondContact O-N 3.29Å; T572-C574 PolarHBondContact O-N 3.43Å; T572-C574 VanDerWaalsContact O-N 3.11Å; T572-C574 PolarHBondContact O-SG 3.19Å; T572-C574 WeakPolarHBondContact OG1-CB 3.45Å; T572-C574 PolarHBondContact OG1-N 3.48Å; T572-C574 PolarHBondContact OG1-SG 2.93Å; T572-C574 VanDerWaalsContact OG1-SG 3.4Å; T572-C596 HydrophobicContact CG2-CB 4.34Å
573	G	86.1	Confident	88.9	Confident	71 Å²	71	35.5 Å²	35.5	73%	0.732	20%	0.196	S	C	*	.			trans	62.9	10.5	-174.4	0	0	0	0	0	114.6	C569	C569-G573 WeakPolarHBondContact O-CA 3.22Å; C569-G573 PolarHBondContact O-N 2.94Å
574	C	89.2	Confident	88.6	Confident	21 Å²	21	42.5 Å²	42.5	14%	0.142	23%	0.229	C	C	.	.			trans	-76.3	158.4	-177.6	-64.3	0	0	0	0	111.7	T572 E578 V579 R582	T572-C574 PolarHBondContact O-N 3.43Å; T572-C574 VanDerWaalsContact O-N 3.11Å; T572-C574 PolarHBondContact O-SG 3.19Å; T572-C574 WeakPolarHBondContact OG1-CB 3.45Å; T572-C574 PolarHBondContact OG1-N 3.48Å; T572-C574 PolarHBondContact OG1-SG 2.93Å; T572-C574 VanDerWaalsContact OG1-SG 3.4Å; C574-E578 HydrophobicContact CB-CB 4.01Å; C574-V579 HydrophobicContact CB-CG2 4.02Å; C574-R582 VanDerWaalsContact SG-CZ 3.55Å; C574-R582 PolarHBondContact SG-NH2 3.32Å
575	S	90.7	Very high	88.2	Confident	37 Å²	37	49.1 Å²	49.1	26%	0.259	26%	0.26	S	S	.	.			trans	-64.2	153.6	173.3	62.4	0	0	0	0	111.6	D543 K577 E578 V579	D543-S575 VanDerWaalsContact OD1-CA 3.29Å; D543-S575 WeakPolarHBondContact OD1-CA 3.42Å; D543-S575 WeakPolarHBondContact OD1-CB 3.29Å; S575-K577 PolarHBondContact O-N 3.36Å; S575-K577 VanDerWaalsContact O-N 3.15Å; S575-E578 WeakPolarHBondContact CB-OE2 3.32Å; S575-E578 PolarHBondContact N-OE2 3.03Å; S575-E578 WeakPolarHBondContact O-CB 3.19Å; S575-E578 PolarHBondContact O-N 3.23Å; S575-E578 VanDerWaalsContact OG-CD 3.23Å; S575-E578 VanDerWaalsContact OG-CG 3.24Å; S575-E578 WeakPolarHBondContact OG-CG 2.91Å; S575-E578 PolarHBondContact OG-N 3.47Å; S575-E578 PolarHBondContact OG-OE2 3.46Å; S575-V579 WeakPolarHBondContact O-CG2 3.29Å; S575-V579 PolarHBondContact O-N 2.84Å
576	M	90.5	Very high	87.7	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-53.3	-38.3	178.6	-78.2	-59.4	-53.5	0	0	112.2	K537 A538 V542 D543 L565 V579 E580	K537-M576 HydrophobicContact CB-SD 4.49Å; A538-M576 HydrophobicContact CB-CE 4.28Å; V542-M576 WeakPolarHBondContact O-CG 3.32Å; D543-M576 PolarHBondContact OD1-N 3.46Å; L565-M576 HydrophobicContact CB-CE 3.98Å; L565-M576 HydrophobicContact CD1-CE 4.13Å; L565-M576 HydrophobicContact CD2-CE 4.14Å; L565-M576 HydrophobicContact CG-CE 4.31Å; M576-V579 PolarHBondContact O-N 2.99Å; M576-E580 WeakPolarHBondContact O-CG 3.46Å; M576-E580 PolarHBondContact O-N 2.92Å
577	K	89.8	Confident	86.5	Confident	170 Å²	170	57.2 Å²	57.2	74%	0.739	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-40.6	177.2	-172.1	178.3	-180	-179.9	0	113.1	S575 S581	S575-K577 PolarHBondContact O-N 3.36Å; S575-K577 VanDerWaalsContact O-N 3.15Å; K577-S581 PolarHBondContact O-N 3.34Å; K577-S581 VanDerWaalsContact O-N 3.14Å
578	E	89.4	Confident	85.7	Confident	99 Å²	99	59.4 Å²	59.4	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-39.1	175.6	-71.7	165.5	138.9	0	0	111.1	C574 S575 S581 R582	C574-E578 HydrophobicContact CB-CB 4.01Å; S575-E578 WeakPolarHBondContact CB-OE2 3.32Å; S575-E578 PolarHBondContact N-OE2 3.03Å; S575-E578 WeakPolarHBondContact O-CB 3.19Å; S575-E578 PolarHBondContact O-N 3.23Å; S575-E578 VanDerWaalsContact OG-CD 3.23Å; S575-E578 VanDerWaalsContact OG-CG 3.24Å; S575-E578 WeakPolarHBondContact OG-CG 2.91Å; S575-E578 PolarHBondContact OG-N 3.47Å; S575-E578 PolarHBondContact OG-OE2 3.46Å; E578-S581 PolarHBondContact O-N 3.13Å; E578-R582 WeakPolarHBondContact O-CG 3.32Å; E578-R582 PolarHBondContact O-N 3.18Å
579	V	88.2	Confident	84.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-46.1	177.1	175.8	0	0	0	0	111.1	L565 V568 C569 C574 S575 M576 S581 R582 L583	L565-V579 HydrophobicContact CD2-CG1 3.92Å; V568-V579 HydrophobicContact CB-CG1 3.66Å; V568-V579 HydrophobicContact CG1-CB 4.38Å; V568-V579 HydrophobicContact CG1-CG1 3.71Å; V568-V579 HydrophobicContact CG1-CG2 4.12Å; C569-V579 HydrophobicContact CB-CG2 4.15Å; C574-V579 HydrophobicContact CB-CG2 4.02Å; S575-V579 WeakPolarHBondContact O-CG2 3.29Å; S575-V579 PolarHBondContact O-N 2.84Å; M576-V579 PolarHBondContact O-N 2.99Å; V579-S581 PolarHBondContact O-N 3.47Å; V579-R582 PolarHBondContact O-N 3.31Å; V579-L583 PolarHBondContact O-N 2.8Å
580	E	88.5	Confident	84.1	Confident	58 Å²	58	60.7 Å²	60.7	27%	0.271	32%	0.321	S	S	.	.	H	α-helix	trans	-56.2	-49.9	174.3	-79.5	176.7	173.7	0	0	111.4	L565 M576 R582 L583 E584	L565-E580 HydrophobicContact CD2-CB 4.45Å; L565-E580 HydrophobicContact CD2-CG 3.56Å; M576-E580 WeakPolarHBondContact O-CG 3.46Å; M576-E580 PolarHBondContact O-N 2.92Å; E580-R582 VanDerWaalsContact C-N 3.28Å; E580-R582 PolarHBondContact O-N 3.4Å; E580-L583 PolarHBondContact O-N 3.05Å; E580-L583 VanDerWaalsContact O-N 3.09Å; E580-E584 WeakPolarHBondContact O-CG 3.46Å; E580-E584 PolarHBondContact O-N 2.61Å
581	S	88.1	Confident	83.6	Confident	52 Å²	52	62.8 Å²	62.8	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-59.1	-38.5	179	-173.3	0	0	0	0	112.5	K577 E578 V579 E584 Q585	K577-S581 PolarHBondContact O-N 3.34Å; K577-S581 VanDerWaalsContact O-N 3.14Å; E578-S581 PolarHBondContact O-N 3.13Å; V579-S581 PolarHBondContact O-N 3.47Å; S581-E584 PolarHBondContact O-N 3.06Å; S581-Q585 VanDerWaalsContact O-CG 3.32Å; S581-Q585 WeakPolarHBondContact O-CG 3.3Å; S581-Q585 PolarHBondContact O-N 3.43Å; S581-Q585 VanDerWaalsContact O-N 3.13Å
582	R	86	Confident	83	Confident	103 Å²	103	61.8 Å²	61.8	39%	0.389	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-42.2	175	-72	176.2	-174.2	-169.2	4.6	112.4	C574 E578 V579 E580 E584 Q585 Q586	C574-R582 VanDerWaalsContact SG-CZ 3.55Å; C574-R582 PolarHBondContact SG-NH2 3.32Å; E578-R582 WeakPolarHBondContact O-CG 3.32Å; E578-R582 PolarHBondContact O-N 3.18Å; V579-R582 PolarHBondContact O-N 3.31Å; E580-R582 VanDerWaalsContact C-N 3.28Å; E580-R582 PolarHBondContact O-N 3.4Å; R582-E584 VanDerWaalsContact C-N 3.31Å; R582-Q585 PolarHBondContact O-N 2.73Å; R582-Q586 PolarHBondContact O-N 3.1Å
583	L	83.9	Confident	82.4	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-71.5	-25.1	177.4	-69.1	-174.9	0	0	0	113	P564 L565 V568 V579 E580 Q586 A592	P564-L583 HydrophobicContact CB-CD1 3.77Å; P564-L583 HydrophobicContact CB-CD2 4.4Å; L565-L583 HydrophobicContact CD2-CD1 3.66Å; L565-L583 HydrophobicContact CG-CD1 3.96Å; V568-L583 HydrophobicContact CG2-CD2 4.13Å; V579-L583 PolarHBondContact O-N 2.8Å; E580-L583 PolarHBondContact O-N 3.05Å; E580-L583 VanDerWaalsContact O-N 3.09Å; L583-Q586 CarbonylContact O-C 3.52Å; L583-A592 HydrophobicContact CD2-CB 3.55Å
584	E	84.1	Confident	82	Confident	148 Å²	148	57.7 Å²	57.7	69%	0.692	28%	0.284	S	S	*	.	H	α-helix	trans	-73.3	-36.2	172.8	-74	178.2	167.1	0	0	112	E580 S581 R582 Q586	E580-E584 WeakPolarHBondContact O-CG 3.46Å; E580-E584 PolarHBondContact O-N 2.61Å; S581-E584 PolarHBondContact O-N 3.06Å; R582-E584 VanDerWaalsContact C-N 3.31Å; E584-Q586 PolarHBondContact O-N 3.09Å
585	Q	82.6	Confident	81.5	Confident	139 Å²	139	60.7 Å²	60.7	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-69.6	-17.4	175.4	-69.8	173.1	14.8	0	0	113.3	S581 R582	S581-Q585 VanDerWaalsContact O-CG 3.32Å; S581-Q585 WeakPolarHBondContact O-CG 3.3Å; S581-Q585 PolarHBondContact O-N 3.43Å; S581-Q585 VanDerWaalsContact O-N 3.13Å; R582-Q585 PolarHBondContact O-N 2.73Å
586	Q	79.8	Confident	80.6	Confident	74 Å²	74	59.6 Å²	59.6	35%	0.346	29%	0.294	S	S	.	.			trans	-124.5	88.9	-179.1	-68.2	-64.1	-27.7	0	0	109.9	R582 L583 E584 I588 A592	R582-Q586 PolarHBondContact O-N 3.1Å; L583-Q586 CarbonylContact O-C 3.52Å; E584-Q586 PolarHBondContact O-N 3.09Å; Q586-I588 PolarHBondContact O-N 3.44Å; Q586-I588 VanDerWaalsContact O-N 3.13Å; Q586-A592 HydrophobicContact CB-CB 3.72Å; Q586-A592 HydrophobicContact CG-CB 4.3Å
587	P	65.8	Low	79.7	Confident	104 Å²	104	61.7 Å²	61.7	68%	0.675	31%	0.305	S	S	*	.	S	Bend	trans	-63.4	-24.8	-173.5	25	-33.8	0	0	0	112.9
588	I	73.9	Confident	78.9	Confident	45 Å²	45	61.4 Å²	61.4	23%	0.231	30%	0.304	C	S	.	.	S	Bend	trans	-89.8	103.4	173.9	-60.2	179.3	0	0	0	108.2	Q586 R590 E591 A592	Q586-I588 PolarHBondContact O-N 3.44Å; Q586-I588 VanDerWaalsContact O-N 3.13Å; I588-R590 HydrophobicContact CG2-CB 4.09Å; I588-R590 PolarHBondContact O-N 3.1Å; I588-R590 VanDerWaalsContact O-N 3.15Å; I588-E591 HydrophobicContact CB-CB 4.3Å; I588-E591 HydrophobicContact CB-CG 4.11Å; I588-E591 WeakPolarHBondContact CD1-OE1 3.5Å; I588-E591 HydrophobicContact CG2-CB 4.3Å; I588-E591 HydrophobicContact CG2-CG 3.81Å; I588-E591 WeakPolarHBondContact O-CB 3.27Å; I588-E591 PolarHBondContact O-N 3.16Å; I588-A592 PolarHBondContact O-N 3.31Å
589	V	70.4	Confident	77.5	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-53.7	-39.1	-176.9	-179.3	0	0	0	0	112.2	I503 P564 E591 A592 M593	I503-V589 HydrophobicContact CD1-CB 3.75Å; I503-V589 HydrophobicContact CD1-CG1 3.49Å; I503-V589 VanDerWaalsContact CD1-CG1 3.49Å; I503-V589 HydrophobicContact CG1-CG1 4.18Å; P564-V589 HydrophobicContact CB-CG1 3.59Å; P564-V589 HydrophobicContact CG-CG1 3.3Å; V589-E591 VanDerWaalsContact C-N 3.32Å; V589-E591 PolarHBondContact O-N 3.37Å; V589-A592 WeakPolarHBondContact O-CB 3.31Å; V589-A592 PolarHBondContact O-N 3.02Å; V589-M593 HydrophobicContact CG1-SD 4.17Å; V589-M593 WeakPolarHBondContact O-CG 3.48Å; V589-M593 PolarHBondContact O-N 3.44Å; V589-M593 VanDerWaalsContact O-N 3.09Å
590	R	75.9	Confident	75.9	Confident	41 Å²	41	66.4 Å²	66.4	16%	0.155	35%	0.35	C	S	.	.	H	α-helix	trans	-54.6	-44.7	174.7	-179.2	-163.9	66.1	-147.4	-8.1	112.5	D42 F498 I588 M593 E594	D42-R590 PolarHBondContact O-NH1 2.93Å; D42-R590 WeakPolarHBondContact OD2-CD 3.27Å; F498-R590 HydrophobicContact CD2-CB 4.3Å; F498-R590 HydrophobicContact CD2-CG 3.71Å; F498-R590 HydrophobicContact CE2-CG 4.33Å; I588-R590 HydrophobicContact CG2-CB 4.09Å; I588-R590 PolarHBondContact O-N 3.1Å; I588-R590 VanDerWaalsContact O-N 3.15Å; R590-M593 PolarHBondContact O-N 3.03Å; R590-E594 WeakPolarHBondContact O-CG 3.47Å; R590-E594 PolarHBondContact O-N 3.39Å; R590-E594 VanDerWaalsContact O-N 3.08Å
591	E	78.2	Confident	75.3	Confident	70 Å²	70	66.9 Å²	66.9	33%	0.327	35%	0.354	S	S	.	.	H	α-helix	trans	-69.7	-37.3	-177.1	-70.1	172.9	-169.5	0	0	111.6	I588 V589 M593 E594 T595	I588-E591 HydrophobicContact CB-CB 4.3Å; I588-E591 HydrophobicContact CB-CG 4.11Å; I588-E591 WeakPolarHBondContact CD1-OE1 3.5Å; I588-E591 HydrophobicContact CG2-CB 4.3Å; I588-E591 HydrophobicContact CG2-CG 3.81Å; I588-E591 WeakPolarHBondContact O-CB 3.27Å; I588-E591 PolarHBondContact O-N 3.16Å; V589-E591 VanDerWaalsContact C-N 3.32Å; V589-E591 PolarHBondContact O-N 3.37Å; E591-M593 VanDerWaalsContact C-N 3.34Å; E591-M593 PolarHBondContact O-N 3.18Å; E591-E594 PolarHBondContact O-N 3.21Å; E591-T595 PolarHBondContact O-N 3.03Å; E591-T595 VanDerWaalsContact O-N 3.16Å; E591-T595 PolarHBondContact O-OG1 3.38Å
592	A	74.8	Confident	74.6	Confident	5 Å²	5	67.6 Å²	67.6	4%	0.041	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-44.2	172.9	0	0	0	0	0	111.9	L583 Q586 I588 V589 C596	L583-A592 HydrophobicContact CD2-CB 3.55Å; Q586-A592 HydrophobicContact CB-CB 3.72Å; Q586-A592 HydrophobicContact CG-CB 4.3Å; I588-A592 PolarHBondContact O-N 3.31Å; V589-A592 WeakPolarHBondContact O-CB 3.31Å; V589-A592 PolarHBondContact O-N 3.02Å; A592-C596 PolarHBondContact O-N 2.69Å; A592-C596 PolarHBondContact O-SG 3.33Å
593	M	75	Confident	73.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-40.9	178.4	-68	170.1	73.2	0	0	112.1	F498 I503 L523 L567 V589 R590 E591 C596 L597	F498-M593 HydrophobicContact CB-CE 4.02Å; F498-M593 HydrophobicContact CB-SD 4.07Å; F498-M593 HydrophobicContact CD1-CE 3.79Å; F498-M593 HydrophobicContact CD2-CB 4.16Å; F498-M593 HydrophobicContact CD2-CE 4.05Å; F498-M593 HydrophobicContact CD2-SD 4.01Å; F498-M593 HydrophobicContact CE1-CE 4.23Å; F498-M593 HydrophobicContact CE2-CB 4.02Å; F498-M593 HydrophobicContact CE2-CE 4.5Å; F498-M593 HydrophobicContact CG-CE 3.7Å; F498-M593 HydrophobicContact CG-SD 4.05Å; I503-M593 HydrophobicContact CB-SD 4.18Å; I503-M593 HydrophobicContact CD1-SD 3.8Å; I503-M593 HydrophobicContact CG2-CE 3.76Å; I503-M593 HydrophobicContact CG2-SD 3.81Å; L523-M593 HydrophobicContact CD1-CE 3.57Å; L567-M593 HydrophobicContact CD2-CE 3.17Å; L567-M593 HydrophobicContact CD2-CG 4.16Å; L567-M593 HydrophobicContact CD2-SD 4.37Å; V589-M593 HydrophobicContact CG1-SD 4.17Å; V589-M593 WeakPolarHBondContact O-CG 3.48Å; V589-M593 PolarHBondContact O-N 3.44Å; V589-M593 VanDerWaalsContact O-N 3.09Å; R590-M593 PolarHBondContact O-N 3.03Å; E591-M593 VanDerWaalsContact C-N 3.34Å; E591-M593 PolarHBondContact O-N 3.18Å; M593-C596 PolarHBondContact O-N 3.46Å; M593-L597 WeakPolarHBondContact O-CB 3.42Å; M593-L597 WeakPolarHBondContact O-CG 3.42Å; M593-L597 PolarHBondContact O-N 3.26Å
594	E	76.5	Confident	73.4	Confident	30 Å²	30	69.2 Å²	69.2	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-42.2	179.3	-73.4	-176.5	-157.5	0	0	113.4	R43 F498 R590 E591 C596 L597 K598	R43-E594 IonicContact CZ-OE1 2.74Å; R43-E594 IonicContact CZ-OE2 3.38Å; R43-E594 IonicContact NE-OE1 3.83Å; R43-E594 PolarHBondContact NE-OE1 3Å; R43-E594 IonicContact NH2-OE1 2.98Å; R43-E594 PolarHBondContact NH2-OE1 3.14Å; R43-E594 IonicContact NH2-OE2 3.65Å; R43-E594 PolarHBondContact NH2-OE2 3.2Å; F498-E594 HydrophobicContact CE2-CG 3.92Å; R590-E594 WeakPolarHBondContact O-CG 3.47Å; R590-E594 PolarHBondContact O-N 3.39Å; R590-E594 VanDerWaalsContact O-N 3.08Å; E591-E594 PolarHBondContact O-N 3.21Å; E594-C596 VanDerWaalsContact C-N 3.25Å; E594-C596 PolarHBondContact O-N 3.34Å; E594-L597 PolarHBondContact O-N 3.21Å; E594-K598 WeakPolarHBondContact O-CG 3.43Å; E594-K598 PolarHBondContact O-N 3.42Å
595	T	79.4	Confident	72.7	Confident	83 Å²	83	64.3 Å²	64.3	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-41.3	177.3	-61	0	0	0	0	110.7	E591 S599	E591-T595 PolarHBondContact O-N 3.03Å; E591-T595 VanDerWaalsContact O-N 3.16Å; E591-T595 PolarHBondContact O-OG1 3.38Å; T595-S599 WeakPolarHBondContact O-CB 3.29Å; T595-S599 PolarHBondContact O-N 3.24Å; T595-S599 PolarHBondContact O-OG 3.43Å
596	C	72.7	Confident	72	Confident	14 Å²	14	59.3 Å²	59.3	10%	0.095	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-47.8	177.5	-61.5	0	0	0	0	111.5	L571 T572 A592 M593 E594 K598 S599 S600	L571-C596 HydrophobicContact CB-CB 4.43Å; L571-C596 HydrophobicContact CD1-CB 3.99Å; T572-C596 HydrophobicContact CG2-CB 4.34Å; A592-C596 PolarHBondContact O-N 2.69Å; A592-C596 PolarHBondContact O-SG 3.33Å; M593-C596 PolarHBondContact O-N 3.46Å; E594-C596 VanDerWaalsContact C-N 3.25Å; E594-C596 PolarHBondContact O-N 3.34Å; C596-K598 PolarHBondContact O-N 3.49Å; C596-S599 PolarHBondContact O-N 3.15Å; C596-S600 PolarHBondContact O-N 2.69Å; C596-S600 PolarHBondContact O-OG 3.13Å
597	L	71.3	Confident	71.5	Confident	51 Å²	51	58.3 Å²	58.3	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-64.6	-22.5	179.7	-75.9	169.3	0	0	0	114.6	F498 L571 M593 E594 S600	F498-L597 HydrophobicContact CE1-CD1 4.25Å; F498-L597 HydrophobicContact CE2-CD1 4.5Å; F498-L597 HydrophobicContact CZ-CD1 3.66Å; L571-L597 HydrophobicContact CD1-CD2 3.6Å; L571-L597 HydrophobicContact CD1-CG 3.78Å; L571-L597 HydrophobicContact CD2-CD2 3.95Å; L571-L597 HydrophobicContact CG-CD2 4.45Å; M593-L597 WeakPolarHBondContact O-CB 3.42Å; M593-L597 WeakPolarHBondContact O-CG 3.42Å; M593-L597 PolarHBondContact O-N 3.26Å; E594-L597 PolarHBondContact O-N 3.21Å; L597-S600 WeakPolarHBondContact CA-OG 3.49Å; L597-S600 PolarHBondContact O-OG 3.27Å
598	K	73.1	Confident	71.9	Confident	164 Å²	164	54.8 Å²	54.8	71%	0.713	30%	0.303	S	S	*	.	H	α-helix	trans	-84.2	-17.1	174.2	-73.2	173.8	-174.3	167.6	0	113.1	E594 C596	E594-K598 WeakPolarHBondContact O-CG 3.43Å; E594-K598 PolarHBondContact O-N 3.42Å; C596-K598 PolarHBondContact O-N 3.49Å
599	S	59.1	Low	71.7	Confident	99 Å²	99	55.6 Å²	55.6	69%	0.692	31%	0.309	S	S	*	.	H	α-helix	trans	-102.8	-20.6	-174.6	-54.3	0	0	0	0	112.4	T595 C596	T595-S599 WeakPolarHBondContact O-CB 3.29Å; T595-S599 PolarHBondContact O-N 3.24Å; T595-S599 PolarHBondContact O-OG 3.43Å; C596-S599 PolarHBondContact O-N 3.15Å
600	S	54.6	Low	71.9	Confident	105 Å²	105	60.2 Å²	60.2	73%	0.734	33%	0.334	S	S	*	.			trans	-83.6	0	165.9	60.3	0	0	0	0	111.1	C596 L597	C596-S600 PolarHBondContact O-N 2.69Å; C596-S600 PolarHBondContact O-OG 3.13Å; L597-S600 WeakPolarHBondContact CA-OG 3.49Å; L597-S600 PolarHBondContact O-OG 3.27Å

Retrieved 600 of 600 residues in 231.5 ms (Link to these results)

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