A0A087XKA1_POEFO Loading...

Transferrin receptor 1b

AlphaFold DB , UniProt , Accession A0A087XKA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 752 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	35.4	Very low	201 Å²	201	113.5 Å²	113.5	99%	0.99	53%	0.526	S	S	*	.				0	-54.1	0	-74.5	-75.2	-101.8	0	0	111.5	K3 I4 R5	M1-K3 PolarHBondContact O-N 2.93Å; M1-I4 PolarHBondContact O-N 3.2Å; M1-R5 WeakPolarHBondContact O-CB 3.46Å; M1-R5 PolarHBondContact O-N 3.19Å; M1-R5 VanDerWaalsContact O-N 3.1Å
2	D	27.5	Very low	35.6	Very low	124 Å²	124	105 Å²	105	66%	0.663	49%	0.486	S	S	*	.	H	α-helix	trans	-68.9	-30.5	-177.7	-63.5	-42.6	0	0	0	115.3	R5 S6	D2-R5 PolarHBondContact O-N 2.61Å; D2-S6 WeakPolarHBondContact O-CB 3.47Å; D2-S6 PolarHBondContact O-N 2.83Å
3	K	27.2	Very low	35.4	Very low	173 Å²	173	105.9 Å²	105.9	75%	0.752	50%	0.497	S	S	*	.	H	α-helix	trans	-67.6	-39.5	178.1	-143.2	172.2	-175.4	178.2	0	112.7	M1 S6 Q7	M1-K3 PolarHBondContact O-N 2.93Å; K3-S6 PolarHBondContact O-N 3.33Å; K3-S6 PolarHBondContact O-OG 3.45Å; K3-Q7 PolarHBondContact O-N 3.4Å
4	I	37.1	Very low	35.3	Very low	106 Å²	106	100.1 Å²	100.1	54%	0.544	47%	0.474	S	S	.	.	H	α-helix	trans	-73.3	-38.7	175.4	-62.4	172.9	0	0	0	110.4	M1 S6 Q7 F8	M1-I4 PolarHBondContact O-N 3.2Å; I4-S6 PolarHBondContact O-N 3.41Å; I4-Q7 PolarHBondContact O-N 3.18Å; I4-F8 WeakPolarHBondContact O-CB 3.4Å; I4-F8 PolarHBondContact O-N 2.86Å
5	R	34.5	Very low	35.5	Very low	165 Å²	165	105.1 Å²	105.1	62%	0.623	50%	0.497	S	S	*	.	H	α-helix	trans	-60.3	-36.3	171.7	-161.2	177.2	-171.3	176.2	2.4	111.6	M1 D2 Q9	M1-R5 WeakPolarHBondContact O-CB 3.46Å; M1-R5 PolarHBondContact O-N 3.19Å; M1-R5 VanDerWaalsContact O-N 3.1Å; D2-R5 PolarHBondContact O-N 2.61Å; R5-Q9 VanDerWaalsContact O-CB 3.26Å; R5-Q9 WeakPolarHBondContact O-CB 3.37Å; R5-Q9 WeakPolarHBondContact O-CG 3Å; R5-Q9 PolarHBondContact O-N 2.85Å
6	S	31.7	Very low	35.4	Very low	49 Å²	49	113.3 Å²	113.3	34%	0.343	52%	0.521	S	S	.	.	H	α-helix	trans	-71.7	-36.6	175.2	85.7	0	0	0	0	113.3	D2 K3 I4 Q9 R10	D2-S6 WeakPolarHBondContact O-CB 3.47Å; D2-S6 PolarHBondContact O-N 2.83Å; K3-S6 PolarHBondContact O-N 3.33Å; K3-S6 PolarHBondContact O-OG 3.45Å; I4-S6 PolarHBondContact O-N 3.41Å; S6-Q9 PolarHBondContact O-N 3.33Å; S6-R10 VanDerWaalsContact O-CB 3.26Å; S6-R10 WeakPolarHBondContact O-CB 3.35Å; S6-R10 WeakPolarHBondContact O-CG 3.31Å; S6-R10 PolarHBondContact O-N 2.85Å
7	Q	39.4	Very low	35.6	Very low	97 Å²	97	113.1 Å²	113.1	45%	0.453	52%	0.516	S	S	.	.	H	α-helix	trans	-69.2	-40.9	174.7	-77.5	-176.4	-21.9	0	0	111.3	K3 I4 R10 M11	K3-Q7 PolarHBondContact O-N 3.4Å; I4-Q7 PolarHBondContact O-N 3.18Å; Q7-R10 PolarHBondContact O-N 2.99Å; Q7-M11 PolarHBondContact O-N 2.84Å
8	F	40.8	Very low	35.6	Very low	36 Å²	36	109.9 Å²	109.9	16%	0.158	51%	0.51	C	S	.	.	H	α-helix	trans	-67.1	-39.6	173.1	-173.1	-111.8	0	0	0	111.9	I4 M11 M12 K385	I4-F8 WeakPolarHBondContact O-CB 3.4Å; I4-F8 PolarHBondContact O-N 2.86Å; F8-M11 PolarHBondContact O-N 2.85Å; F8-M12 HydrophobicContact CD1-CG 4.45Å; F8-M12 HydrophobicContact CE1-CG 4.36Å; F8-M12 HydrophobicContact CE2-CG 4.41Å; F8-M12 HydrophobicContact CZ-CG 4.32Å; F8-M12 HydrophobicContact CZ-SD 4.47Å; F8-M12 VanDerWaalsContact O-CB 3.29Å; F8-M12 WeakPolarHBondContact O-CB 3.43Å; F8-M12 WeakPolarHBondContact O-CG 3.38Å; F8-M12 PolarHBondContact O-N 2.93Å; F8-K385 HydrophobicContact CE1-CD 3.81Å; F8-K385 VanDerWaalsContact CE1-CE 3.42Å; F8-K385 HydrophobicContact CE1-CG 4.35Å; F8-K385 HydrophobicContact CZ-CD 4.25Å; F8-K385 HydrophobicContact CZ-CG 4.28Å
9	Q	35.7	Very low	35.8	Very low	91 Å²	91	110.8 Å²	110.8	43%	0.425	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-35.7	171.9	-82.5	175.6	-50.1	0	0	112.7	R5 S6 M11 M12 N13	R5-Q9 VanDerWaalsContact O-CB 3.26Å; R5-Q9 WeakPolarHBondContact O-CB 3.37Å; R5-Q9 WeakPolarHBondContact O-CG 3Å; R5-Q9 PolarHBondContact O-N 2.85Å; S6-Q9 PolarHBondContact O-N 3.33Å; Q9-M11 VanDerWaalsContact C-N 3.34Å; Q9-M12 PolarHBondContact O-N 2.91Å; Q9-N13 WeakPolarHBondContact O-CB 3.23Å; Q9-N13 PolarHBondContact O-N 2.91Å
10	R	40.7	Very low	35.9	Very low	162 Å²	162	107.5 Å²	107.5	61%	0.611	49%	0.492	S	S	*	.	H	α-helix	trans	-64.9	-36.6	173.8	-90.8	178.2	154.8	-177.1	-7.2	111.7	S6 Q7 D38	S6-R10 VanDerWaalsContact O-CB 3.26Å; S6-R10 WeakPolarHBondContact O-CB 3.35Å; S6-R10 WeakPolarHBondContact O-CG 3.31Å; S6-R10 PolarHBondContact O-N 2.85Å; Q7-R10 PolarHBondContact O-N 2.99Å; R10-D38 IonicContact CZ-OD2 2.96Å; R10-D38 IonicContact NH1-OD2 3.9Å; R10-D38 PolarHBondContact NH1-OD2 2.79Å; R10-D38 IonicContact NH2-OD2 3.86Å
11	M	41.4	Very low	35.8	Very low	45 Å²	45	107.3 Å²	107.3	22%	0.222	50%	0.499	C	S	.	.	H	α-helix	trans	-69.4	-33.7	172.6	-173.3	-174.3	-77.5	0	0	112.5	Q7 F8 Q9 Y461	Q7-M11 PolarHBondContact O-N 2.84Å; F8-M11 PolarHBondContact O-N 2.85Å; Q9-M11 VanDerWaalsContact C-N 3.34Å; M11-Y461 HydrophobicContact CE-CD1 4.13Å; M11-Y461 HydrophobicContact CE-CE1 3.86Å; M11-Y461 HydrophobicContact CG-CE1 4.38Å
12	M	37.3	Very low	35.9	Very low	11 Å²	11	101.5 Å²	101.5	5%	0.054	47%	0.471	C	S	.	.	H	α-helix	trans	-93.7	-20.2	-173.2	-67.3	-72.6	-57.4	0	0	114.8	F8 Q9 T172 W174 V383	F8-M12 HydrophobicContact CD1-CG 4.45Å; F8-M12 HydrophobicContact CE1-CG 4.36Å; F8-M12 HydrophobicContact CE2-CG 4.41Å; F8-M12 HydrophobicContact CZ-CG 4.32Å; F8-M12 HydrophobicContact CZ-SD 4.47Å; F8-M12 VanDerWaalsContact O-CB 3.29Å; F8-M12 WeakPolarHBondContact O-CB 3.43Å; F8-M12 WeakPolarHBondContact O-CG 3.38Å; F8-M12 PolarHBondContact O-N 2.93Å; Q9-M12 PolarHBondContact O-N 2.91Å; M12-T172 WeakPolarHBondContact CE-OG1 3.32Å; M12-W174 HydrophobicContact CE-CE3 3.93Å; M12-W174 HydrophobicContact CE-CZ3 3.62Å; M12-W174 HydrophobicContact SD-CE3 3.99Å; M12-W174 HydrophobicContact SD-CH2 3.9Å; M12-W174 HydrophobicContact SD-CZ3 3.47Å; M12-W174 WeakPolarHBondContact SD-CZ3 3.46Å; M12-V383 HydrophobicContact CE-CB 3.93Å; M12-V383 HydrophobicContact CE-CG1 4.3Å; M12-V383 HydrophobicContact CE-CG2 4.14Å; M12-V383 HydrophobicContact SD-CG2 4.24Å
13	N	33.6	Very low	36	Very low	117 Å²	117	103 Å²	103	63%	0.626	47%	0.474	S	S	*	.	S	Bend	trans	-114.4	5.4	-172.5	-69	-6.3	0	0	0	114.3	Q9 E15	Q9-N13 WeakPolarHBondContact O-CB 3.23Å; Q9-N13 PolarHBondContact O-N 2.91Å; N13-E15 PolarHBondContact O-N 2.73Å
14	S	34.3	Very low	36.1	Very low	25 Å²	25	100.8 Å²	100.8	18%	0.175	48%	0.478	C	S	.	.			trans	-84.3	97.9	178.7	62.5	0	0	0	0	110.5	R16 Y17	S14-R16 PolarHBondContact O-N 2.52Å; S14-R16 VanDerWaalsContact O-N 3.16Å; S14-Y17 WeakPolarHBondContact OG-CB 3.49Å
15	E	37.4	Very low	36	Very low	175 Å²	175	98.6 Å²	98.6	82%	0.818	47%	0.472	S	S	*	.	S	Bend	trans	-63.9	-12	169	-67.1	-174.3	161.9	0	0	112.6	N13	N13-E15 PolarHBondContact O-N 2.73Å
16	R	34.2	Very low	36.1	Very low	235 Å²	235	100.2 Å²	100.2	89%	0.887	49%	0.487	S	S	*	.	S	Bend	trans	-150	87.1	175.3	-63.4	-176.6	-178.2	176	-1.2	109.9	S14 S18	S14-R16 PolarHBondContact O-N 2.52Å; S14-R16 VanDerWaalsContact O-N 3.16Å; R16-S18 PolarHBondContact O-N 3.3Å
17	Y	38.2	Very low	36.2	Very low	110 Å²	110	105 Å²	105	43%	0.431	51%	0.508	S	S	.	.			trans	-88.9	90.8	168.6	-156.2	-104.5	0	0	0	109.5	S14 R19	S14-Y17 WeakPolarHBondContact OG-CB 3.49Å; Y17-R19 HydrophobicContact CE1-CB 4.3Å; Y17-R19 HydrophobicContact CE1-CG 3.63Å; Y17-R19 WeakPolarHBondContact OH-CG 3.31Å; Y17-R19 PolarHBondContact OH-NE 3.38Å
18	S	37	Very low	36.2	Very low	57 Å²	57	103.9 Å²	103.9	40%	0.399	52%	0.523	S	S	.	.			trans	-98.5	128	144.7	-175	0	0	0	0	105.9	R16 F20	R16-S18 PolarHBondContact O-N 3.3Å; S18-F20 PolarHBondContact O-N 3.49Å; S18-F20 PolarHBondContact OG-N 2.99Å; S18-F20 PolarHBondContact OG-O 2.76Å
19	R	39.3	Very low	35.8	Very low	127 Å²	127	108.6 Å²	108.6	48%	0.479	55%	0.546	S	S	.	.	S	Bend	trans	-59.6	-6.1	171.6	-118.4	170.4	-170.2	169	1.9	112.8	Y17 G460	Y17-R19 HydrophobicContact CE1-CB 4.3Å; Y17-R19 HydrophobicContact CE1-CG 3.63Å; Y17-R19 WeakPolarHBondContact OH-CG 3.31Å; Y17-R19 PolarHBondContact OH-NE 3.38Å; R19-G460 PolarHBondContact NH1-O 2.8Å
20	F	37.3	Very low	35.7	Very low	44 Å²	44	112 Å²	112	19%	0.193	56%	0.555	C	S	.	*	S	Bend	trans	-112.9	109.7	179.5	-55.4	-79.3	0	0	0	109	S18 L22 V34 F303	S18-F20 PolarHBondContact O-N 3.49Å; S18-F20 PolarHBondContact OG-N 2.99Å; S18-F20 PolarHBondContact OG-O 2.76Å; F20-L22 PolarHBondContact O-N 2.98Å; F20-V34 HydrophobicContact CE1-CG2 4.14Å; F20-F303 HydrophobicContact CD2-CE1 4.21Å; F20-F303 HydrophobicContact CD2-CE2 4.32Å; F20-F303 HydrophobicContact CD2-CZ 4.03Å; F20-F303 HydrophobicContact CE2-CE1 4.24Å; F20-F303 AromaticContact CE2-CE2 3.76Å; F20-F303 HydrophobicContact CE2-CE2 3.76Å; F20-F303 AromaticContact CE2-CZ 3.6Å; F20-F303 HydrophobicContact CE2-CZ 3.6Å
21	T	33.2	Very low	35.3	Very low	103 Å²	103	110.8 Å²	110.8	63%	0.632	56%	0.556	S	S	*	*			trans	-76.9	111.7	170.6	-3.4	0	0	0	0	107.7	Q23	T21-Q23 PolarHBondContact O-N 2.94Å
22	L	35.4	Very low	35.1	Very low	79 Å²	79	110.7 Å²	110.7	41%	0.414	56%	0.562	S	S	.	*			trans	-76.9	103.4	170.3	-67.8	169.7	0	0	0	108.1	F20 L307	F20-L22 PolarHBondContact O-N 2.98Å; L22-L307 HydrophobicContact CD1-CD1 4.31Å; L22-L307 HydrophobicContact CD2-CD1 3.93Å; L22-L307 HydrophobicContact CD2-CD2 4.41Å
23	Q	30	Very low	34.7	Very low	155 Å²	155	117.4 Å²	117.4	72%	0.724	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-80.8	140.6	164.4	-75.5	-167.1	-1	0	0	109.9	T21 S25	T21-Q23 PolarHBondContact O-N 2.94Å; Q23-S25 PolarHBondContact O-N 2.9Å
24	P	29.6	Very low	34.7	Very low	128 Å²	128	116.2 Å²	116.2	83%	0.831	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-73.3	123.8	169.8	6	8	0	0	0	109.6
25	S	34.3	Very low	34.6	Very low	60 Å²	60	119.9 Å²	119.9	42%	0.42	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-96.6	146	165.7	91.7	0	0	0	0	109.9	Q23 N27 E29	Q23-S25 PolarHBondContact O-N 2.9Å; S25-N27 PolarHBondContact O-N 2.75Å; S25-E29 PolarHBondContact OG-O 2.85Å
26	E	38	Very low	34.2	Very low	199 Å²	199	118 Å²	118	93%	0.93	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-2	-176	-72.2	-177.2	147.2	0	0	114.8
27	N	33.9	Very low	34	Very low	149 Å²	149	110.1 Å²	110.1	80%	0.797	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	18.7	-175.5	-75.2	-18.6	0	0	0	115.5	S25 E29	S25-N27 PolarHBondContact O-N 2.75Å; N27-E29 PolarHBondContact O-N 2.76Å
28	G	39.1	Very low	33.8	Very low	74 Å²	74	109.9 Å²	109.9	76%	0.763	59%	0.589	S	S	*	*	S	Bend	trans	75.8	-7.4	168.4	0	0	0	0	0	116.3
29	E	31.3	Very low	33.7	Very low	134 Å²	134	115.9 Å²	115.9	63%	0.626	61%	0.605	S	S	*	*			trans	-95.3	123.6	166.8	-71.3	-173.3	164.3	0	0	110.4	S25 N27	S25-E29 PolarHBondContact OG-O 2.85Å; N27-E29 PolarHBondContact O-N 2.76Å
30	R	34.8	Very low	33.3	Very low	163 Å²	163	113.3 Å²	113.3	62%	0.615	61%	0.611	S	S	*	*			trans	-89.9	108.3	177.2	-65.7	-178.7	-173.9	172.1	2.2	108.8
31	H	31	Very low	33.1	Very low	137 Å²	137	115.9 Å²	115.9	63%	0.634	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-93.2	132.2	168.7	-66.9	-73.6	0	0	0	109.9
32	A	37.8	Very low	32.9	Very low	43 Å²	43	120.8 Å²	120.8	36%	0.355	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-93.3	116	169.4	0	0	0	0	0	108.6
33	E	29	Very low	32.6	Very low	152 Å²	152	120.3 Å²	120.3	71%	0.71	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-84.4	127.8	163.6	-86.6	-174.5	159	0	0	109.3	N35	E33-N35 PolarHBondContact O-N 3.05Å
34	V	34.4	Very low	32.6	Very low	92 Å²	92	120.2 Å²	120.2	56%	0.558	67%	0.674	S	S	*	*			trans	-77.6	101	166.9	-165.4	0	0	0	0	106.8	F20 L36	F20-V34 HydrophobicContact CE1-CG2 4.14Å; V34-L36 HydrophobicContact CB-CG 4.44Å; V34-L36 HydrophobicContact CG1-CD1 4.11Å; V34-L36 HydrophobicContact CG1-CD2 4.28Å; V34-L36 HydrophobicContact CG1-CG 3.7Å; V34-L36 PolarHBondContact O-N 3.45Å
35	N	30.5	Very low	32.7	Very low	101 Å²	101	120.2 Å²	120.2	54%	0.54	67%	0.672	S	S	.	*			trans	-71.9	78.9	170.3	-108.1	-26.8	0	0	0	109.5	E33 S37	E33-N35 PolarHBondContact O-N 3.05Å; N35-S37 PolarHBondContact OD1-OG 2.85Å
36	L	29.8	Very low	32.5	Very low	137 Å²	137	122.3 Å²	122.3	72%	0.717	69%	0.693	S	S	*	*			trans	-76.7	-5.7	166.9	-74.5	164.2	0	0	0	112	V34 D38	V34-L36 HydrophobicContact CB-CG 4.44Å; V34-L36 HydrophobicContact CG1-CD1 4.11Å; V34-L36 HydrophobicContact CG1-CD2 4.28Å; V34-L36 HydrophobicContact CG1-CG 3.7Å; V34-L36 PolarHBondContact O-N 3.45Å; L36-D38 PolarHBondContact O-N 3.43Å
37	S	30.8	Very low	32.2	Very low	68 Å²	68	117.3 Å²	117.3	48%	0.476	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-71.7	-20.5	-174.8	48.9	0	0	0	0	114.4	N35 Y39 A40	N35-S37 PolarHBondContact OD1-OG 2.85Å; S37-Y39 PolarHBondContact O-N 3.09Å; S37-Y39 VanDerWaalsContact O-N 3.09Å; S37-A40 PolarHBondContact O-N 2.85Å
38	D	33.9	Very low	32	Very low	105 Å²	105	119.8 Å²	119.8	56%	0.561	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-71.9	-2.1	179.2	-93.7	14.1	0	0	0	113.9	R10 L36	R10-D38 IonicContact CZ-OD2 2.96Å; R10-D38 IonicContact NH1-OD2 3.9Å; R10-D38 PolarHBondContact NH1-OD2 2.79Å; R10-D38 IonicContact NH2-OD2 3.86Å; L36-D38 PolarHBondContact O-N 3.43Å
39	Y	33.8	Very low	31.5	Very low	184 Å²	184	120.7 Å²	120.7	72%	0.722	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-121.1	-0.3	176.2	-73.3	-81.1	0	0	0	114.8	S37 A41	S37-Y39 PolarHBondContact O-N 3.09Å; S37-Y39 VanDerWaalsContact O-N 3.09Å; Y39-A41 PolarHBondContact O-N 2.76Å
40	A	30.5	Very low	31.9	Very low	73 Å²	73	120.7 Å²	120.7	60%	0.603	71%	0.705	S	S	*	*	S	Bend	trans	-80.4	114	168.4	0	0	0	0	0	108.2	S37 E42	S37-A40 PolarHBondContact O-N 2.85Å; A40-E42 PolarHBondContact O-N 3.39Å
41	A	33.8	Very low	31.5	Very low	98 Å²	98	116.5 Å²	116.5	81%	0.81	71%	0.712	S	S	*	*			trans	-55.6	125.4	165.6	0	0	0	0	0	108.5	Y39 G43	Y39-A41 PolarHBondContact O-N 2.76Å; A41-G43 PolarHBondContact O-N 3.22Å
42	E	29.4	Very low	31.5	Very low	206 Å²	206	115.9 Å²	115.9	96%	0.963	72%	0.723	S	S	*	*			trans	-57.8	100.1	164.9	-72.9	-179.7	164.2	0	0	108.6	A40	A40-E42 PolarHBondContact O-N 3.39Å
43	G	28.7	Very low	31.4	Very low	68 Å²	68	119.3 Å²	119.3	70%	0.701	74%	0.742	S	S	*	*			trans	-120.1	115.7	151.6	0	0	0	0	0	105.7	A41	A41-G43 PolarHBondContact O-N 3.22Å
44	D	30.6	Very low	31.9	Very low	153 Å²	153	117.5 Å²	117.5	82%	0.818	75%	0.745	S	S	*	*			trans	-55.1	142.9	-171.3	-101.7	-34.1	0	0	0	115.2
45	T	30.4	Very low	31.7	Very low	128 Å²	128	122.9 Å²	122.9	79%	0.785	76%	0.762	S	S	*	*			trans	86.3	120	148.1	57.6	0	0	0	0	123.2
46	A	30	Very low	31.9	Very low	104 Å²	104	129 Å²	129	86%	0.86	78%	0.777	S	S	*	*			trans	83.1	124.2	138.1	0	0	0	0	0	120.4
47	A	32.4	Very low	32.3	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	78%	0.784	S	S	*	*			trans	-73.1	144.6	177.6	0	0	0	0	0	113.2
48	E	29.1	Very low	32.5	Very low	200 Å²	200	129.7 Å²	129.7	94%	0.935	80%	0.795	S	S	*	*				173.3	139.4	128	-95.3	175.3	-176.6	0	0	110.1
49	A	29.5	Very low	32.8	Very low	94 Å²	94	131 Å²	131	78%	0.777	81%	0.81	S	S	*	*			trans	-98	177.5	174.4	0	0	0	0	0	110.5
50	P	38.7	Very low	33.4	Very low	134 Å²	134	129.7 Å²	129.7	87%	0.87	81%	0.814	S	S	*	*			cis	-124.4	162.5	-41.6	34	-18.6	0	0	0	111.9
51	G	26.5	Very low	34.2	Very low	74 Å²	74	135.4 Å²	135.4	76%	0.763	83%	0.828	S	S	*	*			trans	153.8	115.7	161.6	0	0	0	0	0	114.9
52	S	31.6	Very low	35.2	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	82%	0.818	S	S	*	*			trans	-64.5	141.6	164.2	-53.6	0	0	0	0	110
53	P	35.5	Very low	36.9	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	80%	0.795	S	S	*	*				-145.6	158.2	94.4	33.2	-14.5	0	0	0	115.5
54	S	41	Very low	38.5	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	80%	0.804	S	S	*	*			trans	-40.2	135.2	170.5	52.8	0	0	0	0	115.6
55	F	29.3	Very low	40.1	Very low	205 Å²	205	140.6 Å²	140.6	90%	0.899	80%	0.801	S	S	*	*			trans	-138.5	124.1	161	-124.6	-92.6	0	0	0	111.6
56	R	35.7	Very low	41.9	Very low	231 Å²	231	137.8 Å²	137.8	87%	0.872	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.3	137.3	166.5	-70.2	179.9	176.6	179.3	-1	108.6
57	P	36.4	Very low	44	Very low	131 Å²	131	136.3 Å²	136.3	85%	0.851	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-80.4	133.2	174.3	25.2	-21.7	0	0	0	111.4
58	A	35.7	Very low	46	Very low	87 Å²	87	134.5 Å²	134.5	72%	0.719	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-78.4	154	167.8	0	0	0	0	0	110.8
59	P	41.2	Very low	48.3	Very low	133 Å²	133	132.3 Å²	132.3	86%	0.864	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-75.7	132.6	-176	29.2	-31.9	0	0	0	112.2
60	L	45	Very low	50.7	Low	156 Å²	156	132.5 Å²	132.5	82%	0.817	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-78.5	119.4	176	-96	150.8	0	0	0	111.2	H62	L60-H62 PolarHBondContact O-N 2.95Å
61	H	47.1	Very low	52.8	Low	193 Å²	193	130.6 Å²	130.6	89%	0.894	71%	0.71	S	S	*	*			trans	-77.3	104.7	173.7	-135.3	-61.8	0	0	0	109.7
62	H	55.7	Low	55.5	Low	129 Å²	129	132.7 Å²	132.7	60%	0.597	70%	0.703	S	S	*	*			trans	-83.6	128.1	176.3	-101.9	65.7	0	0	0	111.7	L60	L60-H62 PolarHBondContact O-N 2.95Å
63	S	63.9	Low	58.1	Low	70 Å²	70	128.6 Å²	128.6	49%	0.49	68%	0.68	S	S	.	*			trans	-70.9	134.3	174	171.9	0	0	0	0	110.9	R65 T66	S63-R65 PolarHBondContact O-N 3.42Å; S63-T66 PolarHBondContact O-N 3.19Å; S63-T66 PolarHBondContact O-OG1 3.38Å
64	R	62.8	Low	60.4	Low	234 Å²	234	127.4 Å²	127.4	88%	0.883	67%	0.671	S	S	*	*	H	α-helix	trans	-52.5	-23	178.5	-83.1	-179.6	161.5	-175.8	-5.3	114.1	A68	R64-A68 PolarHBondContact O-N 3.07Å
65	R	64.3	Low	62.6	Low	201 Å²	201	126.6 Å²	126.6	76%	0.758	66%	0.658	S	S	*	*	H	α-helix	trans	-71.1	-36.2	176.9	-73.6	-177.5	175.9	174.4	-1.4	112.7	S63 A68 F69	S63-R65 PolarHBondContact O-N 3.42Å; R65-A68 PolarHBondContact O-N 3.29Å; R65-F69 WeakPolarHBondContact O-CD2 3.13Å; R65-F69 PolarHBondContact O-N 3.32Å
66	T	67.6	Low	65.2	Low	70 Å²	70	124.1 Å²	124.1	43%	0.429	65%	0.651	S	S	.	*	H	α-helix	trans	-69.7	-38.3	-179.1	-38.9	0	0	0	0	111.3	S63 A68 F69 V70	S63-T66 PolarHBondContact O-N 3.19Å; S63-T66 PolarHBondContact O-OG1 3.38Å; T66-A68 VanDerWaalsContact C-N 3.34Å; T66-A68 PolarHBondContact O-N 3.42Å; T66-F69 PolarHBondContact O-N 3.08Å; T66-V70 WeakPolarHBondContact O-CG2 3.5Å; T66-V70 PolarHBondContact O-N 3.07Å
67	V	74.2	Confident	67.7	Low	73 Å²	73	118.5 Å²	118.5	44%	0.442	64%	0.641	S	S	.	*	H	α-helix	trans	-64.8	-38.7	175.7	179.1	0	0	0	0	111.3	F69 V70 I71	V67-F69 PolarHBondContact O-N 2.93Å; V67-V70 PolarHBondContact O-N 3.2Å; V67-I71 HydrophobicContact CG1-CD1 3.84Å; V67-I71 HydrophobicContact CG1-CG1 4.46Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.31Å; V67-I71 PolarHBondContact O-N 3.05Å
68	A	74.9	Confident	70.1	Confident	56 Å²	56	119.8 Å²	119.8	46%	0.463	63%	0.634	S	S	.	*	H	α-helix	trans	-64.2	-39.8	178.1	0	0	0	0	0	112.7	R64 R65 T66 I71 L72	R64-A68 PolarHBondContact O-N 3.07Å; R65-A68 PolarHBondContact O-N 3.29Å; T66-A68 VanDerWaalsContact C-N 3.34Å; T66-A68 PolarHBondContact O-N 3.42Å; A68-I71 PolarHBondContact O-N 3.11Å; A68-L72 WeakPolarHBondContact O-CB 3.28Å; A68-L72 PolarHBondContact O-N 3.26Å
69	F	76.9	Confident	72.4	Confident	155 Å²	155	120.2 Å²	120.2	68%	0.68	62%	0.624	S	S	*	*	H	α-helix	trans	-68.2	-37.3	176.5	-78.4	-67.1	0	0	0	112.9	R65 T66 V67 L72 G73	R65-F69 WeakPolarHBondContact O-CD2 3.13Å; R65-F69 PolarHBondContact O-N 3.32Å; T66-F69 PolarHBondContact O-N 3.08Å; V67-F69 PolarHBondContact O-N 2.93Å; F69-L72 PolarHBondContact O-N 3.32Å; F69-G73 PolarHBondContact O-N 3.49Å
70	V	81.3	Confident	74.6	Confident	97 Å²	97	115.6 Å²	115.6	59%	0.588	60%	0.601	S	S	*	*	H	α-helix	trans	-64.9	-43.7	176.1	173.8	0	0	0	0	110.8	T66 V67 G73 T74	T66-V70 WeakPolarHBondContact O-CG2 3.5Å; T66-V70 PolarHBondContact O-N 3.07Å; V67-V70 PolarHBondContact O-N 3.2Å; V70-G73 PolarHBondContact O-N 3Å; V70-T74 PolarHBondContact O-N 3.18Å; V70-T74 VanDerWaalsContact O-N 3.07Å; V70-T74 PolarHBondContact O-OG1 2.96Å
71	I	82.8	Confident	76.5	Confident	94 Å²	94	110.4 Å²	110.4	48%	0.482	59%	0.585	S	S	.	*	H	α-helix	trans	-63.6	-41.6	177.2	-67.3	168.8	0	0	0	111.2	V67 A68 G73 T74 L75	V67-I71 HydrophobicContact CG1-CD1 3.84Å; V67-I71 HydrophobicContact CG1-CG1 4.46Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.31Å; V67-I71 PolarHBondContact O-N 3.05Å; A68-I71 PolarHBondContact O-N 3.11Å; I71-G73 VanDerWaalsContact C-N 3.33Å; I71-G73 PolarHBondContact O-N 3.38Å; I71-T74 PolarHBondContact O-N 3.47Å; I71-T74 PolarHBondContact O-OG1 3.23Å; I71-L75 PolarHBondContact O-N 2.78Å; I71-L75 VanDerWaalsContact O-N 3.11Å
72	L	82.4	Confident	78.1	Confident	118 Å²	118	108.8 Å²	108.8	62%	0.618	57%	0.572	S	S	*	*	H	α-helix	trans	-65.7	-38.3	178.8	-157.6	78.4	0	0	0	111.6	A68 F69 L75 M76	A68-L72 WeakPolarHBondContact O-CB 3.28Å; A68-L72 PolarHBondContact O-N 3.26Å; F69-L72 PolarHBondContact O-N 3.32Å; L72-L75 PolarHBondContact O-N 3.06Å; L72-M76 PolarHBondContact O-N 2.86Å; L72-M76 VanDerWaalsContact O-N 3.16Å
73	G	86.6	Confident	79.1	Confident	39 Å²	39	107.4 Å²	107.4	40%	0.402	57%	0.569	S	S	.	*	H	α-helix	trans	-63.5	-46	176	0	0	0	0	0	112.9	F69 V70 I71 L75 M76 V77	F69-G73 PolarHBondContact O-N 3.49Å; V70-G73 PolarHBondContact O-N 3Å; I71-G73 VanDerWaalsContact C-N 3.33Å; I71-G73 PolarHBondContact O-N 3.38Å; G73-L75 VanDerWaalsContact C-N 3.33Å; G73-L75 PolarHBondContact O-N 2.86Å; G73-M76 PolarHBondContact O-N 3.35Å; G73-V77 WeakPolarHBondContact O-CG2 3.34Å; G73-V77 PolarHBondContact O-N 3.43Å
74	T	83.7	Confident	79.8	Confident	91 Å²	91	108.8 Å²	108.8	56%	0.558	57%	0.574	S	S	*	*	H	α-helix	trans	-64.8	-36.1	176.7	22.8	0	0	0	0	112.6	V70 I71 V77 F78	V70-T74 PolarHBondContact O-N 3.18Å; V70-T74 VanDerWaalsContact O-N 3.07Å; V70-T74 PolarHBondContact O-OG1 2.96Å; I71-T74 PolarHBondContact O-N 3.47Å; I71-T74 PolarHBondContact O-OG1 3.23Å; T74-V77 PolarHBondContact O-N 3.41Å; T74-F78 WeakPolarHBondContact O-CB 3.14Å; T74-F78 PolarHBondContact O-N 2.75Å
75	L	86.8	Confident	80.3	Confident	96 Å²	96	99.7 Å²	99.7	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-39.6	177.4	-120.4	151.8	0	0	0	112.3	I71 L72 G73 F78 L79	I71-L75 PolarHBondContact O-N 2.78Å; I71-L75 VanDerWaalsContact O-N 3.11Å; L72-L75 PolarHBondContact O-N 3.06Å; G73-L75 VanDerWaalsContact C-N 3.33Å; G73-L75 PolarHBondContact O-N 2.86Å; L75-F78 PolarHBondContact O-N 2.91Å; L75-L79 HydrophobicContact CD2-CD1 3.67Å; L75-L79 WeakPolarHBondContact O-CD1 3.27Å; L75-L79 PolarHBondContact O-N 2.77Å
76	M	85	Confident	80.7	Confident	153 Å²	153	97.3 Å²	97.3	75%	0.754	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-42.1	175.3	-93.6	-148	174.1	0	0	112.7	L72 G73 F78 L79 G80	L72-M76 PolarHBondContact O-N 2.86Å; L72-M76 VanDerWaalsContact O-N 3.16Å; G73-M76 PolarHBondContact O-N 3.35Å; M76-F78 VanDerWaalsContact C-N 3.31Å; M76-F78 PolarHBondContact O-N 2.81Å; M76-L79 PolarHBondContact O-N 3.08Å; M76-G80 PolarHBondContact O-N 2.83Å
77	V	88.2	Confident	81	Confident	112 Å²	112	99.8 Å²	99.8	68%	0.679	56%	0.558	S	S	*	*	H	α-helix	trans	-63.7	-40.3	177.6	175	0	0	0	0	110.8	G73 T74 G80 G81	G73-V77 WeakPolarHBondContact O-CG2 3.34Å; G73-V77 PolarHBondContact O-N 3.43Å; T74-V77 PolarHBondContact O-N 3.41Å; V77-G80 PolarHBondContact O-N 2.61Å; V77-G81 PolarHBondContact O-N 2.86Å
78	F	86.5	Confident	80.7	Confident	158 Å²	158	101 Å²	101	69%	0.693	57%	0.569	S	S	*	*	H	α-helix	trans	-66	-43.4	178	-167.5	-94.1	0	0	0	112.5	T74 L75 M76 G80 G81 Y82	T74-F78 WeakPolarHBondContact O-CB 3.14Å; T74-F78 PolarHBondContact O-N 2.75Å; L75-F78 PolarHBondContact O-N 2.91Å; M76-F78 VanDerWaalsContact C-N 3.31Å; M76-F78 PolarHBondContact O-N 2.81Å; F78-G80 VanDerWaalsContact C-N 3.35Å; F78-G80 PolarHBondContact O-N 3.15Å; F78-G81 PolarHBondContact O-N 3Å; F78-Y82 WeakPolarHBondContact O-CB 3.4Å; F78-Y82 PolarHBondContact O-N 3.07Å
79	L	84.3	Confident	79.5	Confident	96 Å²	96	106.5 Å²	106.5	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-64.4	-38.9	174.9	-98.6	100.2	0	0	0	112.4	L75 M76 Y82 L83	L75-L79 HydrophobicContact CD2-CD1 3.67Å; L75-L79 WeakPolarHBondContact O-CD1 3.27Å; L75-L79 PolarHBondContact O-N 2.77Å; M76-L79 PolarHBondContact O-N 3.08Å; L79-Y82 PolarHBondContact O-N 3.26Å; L79-L83 PolarHBondContact O-N 2.99Å
80	G	87.3	Confident	78.1	Confident	37 Å²	37	108 Å²	108	38%	0.381	59%	0.594	S	S	.	*	H	α-helix	trans	-61.5	-46.2	175.1	0	0	0	0	0	112.1	M76 V77 F78 Y82 L83 V84	M76-G80 PolarHBondContact O-N 2.83Å; V77-G80 PolarHBondContact O-N 2.61Å; F78-G80 VanDerWaalsContact C-N 3.35Å; F78-G80 PolarHBondContact O-N 3.15Å; G80-Y82 PolarHBondContact O-N 3.32Å; G80-L83 PolarHBondContact O-N 2.83Å; G80-V84 WeakPolarHBondContact O-CG2 3.4Å; G80-V84 PolarHBondContact O-N 2.92Å; G80-V84 VanDerWaalsContact O-N 3.16Å
81	G	83.3	Confident	76.4	Confident	47 Å²	47	112.6 Å²	112.6	49%	0.485	61%	0.606	S	S	.	*	H	α-helix	trans	-62.4	-40.1	175.4	0	0	0	0	0	113.1	V77 F78 V84 G85	V77-G81 PolarHBondContact O-N 2.86Å; F78-G81 PolarHBondContact O-N 3Å; G81-V84 PolarHBondContact O-N 3.05Å; G81-G85 PolarHBondContact O-N 2.91Å
82	Y	82.5	Confident	74.6	Confident	158 Å²	158	114 Å²	114	62%	0.62	62%	0.621	S	S	*	*	H	α-helix	trans	-64.2	-42.4	177.4	-176.6	-97.9	0	0	0	112.5	F78 L79 G80 G85 F86	F78-Y82 WeakPolarHBondContact O-CB 3.4Å; F78-Y82 PolarHBondContact O-N 3.07Å; L79-Y82 PolarHBondContact O-N 3.26Å; G80-Y82 PolarHBondContact O-N 3.32Å; Y82-G85 PolarHBondContact O-N 2.96Å; Y82-F86 WeakPolarHBondContact O-CB 3.31Å; Y82-F86 PolarHBondContact O-N 2.91Å
83	L	76.4	Confident	72.3	Confident	101 Å²	101	118.3 Å²	118.3	53%	0.529	64%	0.635	S	S	.	*	H	α-helix	trans	-65	-40.6	177.9	-109	132.7	0	0	0	112.5	L79 G80 F86 I87	L79-L83 PolarHBondContact O-N 2.99Å; G80-L83 PolarHBondContact O-N 2.83Å; L83-F86 PolarHBondContact O-N 3.44Å; L83-I87 WeakPolarHBondContact O-CG1 3.29Å; L83-I87 PolarHBondContact O-N 3.22Å
84	V	78.3	Confident	70.1	Confident	99 Å²	99	123.1 Å²	123.1	60%	0.6	66%	0.656	S	S	*	*	H	α-helix	trans	-67.5	-39.3	176.1	175.1	0	0	0	0	111.1	G80 G81 F86 I87 S88	G80-V84 WeakPolarHBondContact O-CG2 3.4Å; G80-V84 PolarHBondContact O-N 2.92Å; G80-V84 VanDerWaalsContact O-N 3.16Å; G81-V84 PolarHBondContact O-N 3.05Å; V84-F86 VanDerWaalsContact C-N 3.33Å; V84-F86 PolarHBondContact O-N 3.19Å; V84-I87 PolarHBondContact O-N 3.27Å; V84-S88 PolarHBondContact O-N 3.45Å
85	G	73	Confident	67.7	Low	43 Å²	43	128.3 Å²	128.3	44%	0.443	67%	0.674	S	S	.	*	H	α-helix	trans	-64.9	-34.4	174.4	0	0	0	0	0	113.5	G81 Y82	G81-G85 PolarHBondContact O-N 2.91Å; Y82-G85 PolarHBondContact O-N 2.96Å
86	F	73.8	Confident	64.9	Low	150 Å²	150	128.7 Å²	128.7	66%	0.658	69%	0.685	S	S	*	*	H	α-helix	trans	-71.8	-34	179.3	-169.4	-98.4	0	0	0	113	Y82 L83 V84	Y82-F86 WeakPolarHBondContact O-CB 3.31Å; Y82-F86 PolarHBondContact O-N 2.91Å; L83-F86 PolarHBondContact O-N 3.44Å; V84-F86 VanDerWaalsContact C-N 3.33Å; V84-F86 PolarHBondContact O-N 3.19Å
87	I	72.9	Confident	62.4	Low	123 Å²	123	128.4 Å²	128.4	63%	0.631	69%	0.686	S	S	*	*	H	α-helix	trans	-79	-27.3	-179	-64.7	168.2	0	0	0	112.1	L83 V84 H89	L83-I87 WeakPolarHBondContact O-CG1 3.29Å; L83-I87 PolarHBondContact O-N 3.22Å; V84-I87 PolarHBondContact O-N 3.27Å; I87-H89 VanDerWaalsContact C-N 3.34Å; I87-H89 PolarHBondContact O-N 3.2Å
88	S	67.3	Low	59.5	Low	98 Å²	98	128.9 Å²	128.9	69%	0.685	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-1.2	-177.8	-81	0	0	0	0	115.6	V84	V84-S88 PolarHBondContact O-N 3.45Å
89	H	51	Low	56.8	Low	171 Å²	171	124.8 Å²	124.8	79%	0.792	70%	0.695	S	S	*	*			trans	-111	74.9	178.7	-102.9	-47	0	0	0	112.8	I87	I87-H89 VanDerWaalsContact C-N 3.34Å; I87-H89 PolarHBondContact O-N 3.2Å
90	H	47.3	Very low	54.8	Low	187 Å²	187	126.6 Å²	126.6	87%	0.866	71%	0.713	S	S	*	*			trans	-116.7	131.6	155.9	-94.3	-68.4	0	0	0	111
91	K	45.4	Very low	52.1	Low	194 Å²	194	130.1 Å²	130.1	84%	0.843	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-57.1	155	-170.8	-71.7	177.5	176.3	179.7	0	114.6
92	P	44.3	Very low	49.6	Very low	124 Å²	124	133.2 Å²	133.2	81%	0.805	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-75.1	136.3	179.4	31.3	-32.9	0	0	0	111.6
93	K	33.8	Very low	47.1	Very low	207 Å²	207	131.3 Å²	131.3	90%	0.9	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-93.4	127.6	164.1	-85.7	-176.8	174.5	-177.4	0	109.3
94	V	41.3	Very low	44.9	Very low	141 Å²	141	134.5 Å²	134.5	86%	0.855	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-84.7	132.2	165.3	173.3	0	0	0	0	107.5
95	E	32.2	Very low	42.7	Very low	200 Å²	200	139.1 Å²	139.1	94%	0.935	78%	0.78	S	S	*	*			trans	-150.9	156.1	157.4	-128.8	168.3	-153.9	0	0	110.9
96	S	29.8	Very low	40.9	Very low	103 Å²	103	145 Å²	145	72%	0.72	80%	0.8	S	S	*	*			trans	-114.4	149.1	-153.9	166.3	0	0	0	0	111.4
97	D	32.3	Very low	38.9	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	81%	0.809	S	S	*	*			trans	108.7	150.4	141.3	-123.1	-9.7	0	0	0	122.4
98	C	27.6	Very low	36.8	Very low	122 Å²	122	139.4 Å²	139.4	82%	0.824	82%	0.816	S	S	*	*			trans	-56	157.9	-155.6	-75	0	0	0	0	122.7
99	G	29.9	Very low	35.3	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	82%	0.82	S	S	*	*			trans	172.4	130.2	148.6	0	0	0	0	0	114
100	P	41.4	Very low	34.4	Very low	135 Å²	135	139.2 Å²	139.2	88%	0.877	81%	0.81	S	S	*	*			trans	-94.2	145.3	-160.3	36.4	-33.1	0	0	0	114.3
101	S	30.6	Very low	34	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	81%	0.81	S	S	*	*			trans	-141.9	107.7	157.2	71.3	0	0	0	0	111.9
102	S	30.3	Very low	33.5	Very low	111 Å²	111	130.4 Å²	130.4	78%	0.776	80%	0.8	S	S	*	*			trans	23.5	109.8	146.7	46.9	0	0	0	0	119.4
103	T	29.6	Very low	33	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	80%	0.795	S	S	*	*			trans	-23.2	128.6	154.6	45.6	0	0	0	0	118.2
104	D	30.3	Very low	33.4	Very low	169 Å²	169	128.1 Å²	128.1	90%	0.904	79%	0.789	S	S	*	*			trans	-130.5	117.8	132.8	-97	-31.4	0	0	0	109	I106	D104-I106 PolarHBondContact O-N 2.98Å
105	K	32.9	Very low	33.7	Very low	195 Å²	195	124 Å²	124	85%	0.848	77%	0.767	S	S	*	*			trans	-82.7	108.6	-176.8	-74.9	-177.2	177.3	178.8	0	110
106	I	34.4	Very low	34.8	Very low	166 Å²	166	119.8 Å²	119.8	85%	0.851	76%	0.757	S	S	*	*			trans	-115.9	117	152	-60.1	178.9	0	0	0	106.3	D104 G108	D104-I106 PolarHBondContact O-N 2.98Å; I106-G108 PolarHBondContact O-N 2.8Å
107	G	32.3	Very low	36.7	Very low	82 Å²	82	119.8 Å²	119.8	85%	0.845	75%	0.753	S	S	*	*			trans	-60.8	107.1	-174.5	0	0	0	0	0	112.2
108	G	29.5	Very low	39.2	Very low	75 Å²	75	115.2 Å²	115.2	77%	0.773	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-74.5	123	168.5	0	0	0	0	0	110.7	I106	I106-G108 PolarHBondContact O-N 2.8Å
109	M	35.8	Very low	42.3	Very low	159 Å²	159	112 Å²	112	78%	0.783	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-67.5	123.2	165.9	-166.8	80.8	167.3	0	0	108.6
110	D	30.9	Very low	45.3	Very low	106 Å²	106	110.8 Å²	110.8	57%	0.567	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-63.7	121.4	174	-165.8	3.8	0	0	0	109.9	G112	D110-G112 PolarHBondContact O-N 2.82Å
111	P	38.8	Very low	47.8	Very low	134 Å²	134	111.4 Å²	111.4	87%	0.87	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	16.1	-171.3	30.5	-33.3	0	0	0	114.6
112	G	36.8	Very low	50.8	Low	61 Å²	61	109.6 Å²	109.6	63%	0.629	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	2.8	-171	0	0	0	0	0	117.4	D110	D110-G112 PolarHBondContact O-N 2.82Å
113	K	32.1	Very low	53.9	Low	162 Å²	162	104.3 Å²	104.3	70%	0.704	61%	0.614	S	S	*	*	S	Bend	trans	-107.8	122.5	177.1	-80.3	179	-179.9	170.8	0	111.4	S115	K113-S115 PolarHBondContact O-N 3.03Å; K113-S115 VanDerWaalsContact O-N 3.1Å
114	P	42.8	Very low	57	Low	121 Å²	121	99.5 Å²	99.5	79%	0.786	59%	0.585	S	S	*	*			trans	-58.5	121.2	167.9	23.5	-29.4	0	0	0	107.7
115	S	46.8	Very low	60.1	Low	55 Å²	55	97.6 Å²	97.6	39%	0.385	57%	0.57	S	S	.	*			trans	-56.1	128	172.2	-64.6	0	0	0	0	107.6	K113 T117	K113-S115 PolarHBondContact O-N 3.03Å; K113-S115 VanDerWaalsContact O-N 3.1Å; S115-T117 PolarHBondContact O-N 3.27Å
116	P	55.3	Low	63.1	Low	112 Å²	112	90.2 Å²	90.2	73%	0.727	54%	0.54	S	S	*	.			trans	-63.3	107.3	-175.8	23.1	-31.1	0	0	0	109.2	L118	P116-L118 PolarHBondContact O-N 3.06Å
117	T	69.8	Low	66.1	Low	103 Å²	103	82.3 Å²	82.3	63%	0.632	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-67.9	124	167.3	43.5	0	0	0	0	107.6	S115	S115-T117 PolarHBondContact O-N 3.27Å
118	L	86.2	Confident	69	Low	50 Å²	50	80.7 Å²	80.7	26%	0.262	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-50.3	142.6	175.7	-67.7	170.8	0	0	0	110.4	P116 D122 V123 L126 F433 H601	P116-L118 PolarHBondContact O-N 3.06Å; L118-D122 HydrophobicContact CB-CB 4.35Å; L118-D122 HydrophobicContact CD2-CB 4.38Å; L118-V123 HydrophobicContact CB-CG1 3.48Å; L118-V123 VanDerWaalsContact CB-CG1 3.48Å; L118-V123 HydrophobicContact CD1-CG1 3.82Å; L118-V123 HydrophobicContact CG-CG1 4.33Å; L118-L126 HydrophobicContact CD1-CD1 3.97Å; L118-F433 HydrophobicContact CD1-CB 4.23Å; L118-H601 PolarHBondContact O-NE2 3.15Å
119	S	91.7	Very high	72.2	Confident	56 Å²	56	81 Å²	81	39%	0.392	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-72.8	160.8	177.1	77.9	0	0	0	0	111	K121 D122 V123	S119-K121 PolarHBondContact O-N 2.82Å; S119-D122 WeakPolarHBondContact CB-OD2 3.38Å; S119-D122 PolarHBondContact N-OD2 2.95Å; S119-D122 VanDerWaalsContact N-OD2 3.14Å; S119-D122 PolarHBondContact O-N 3.29Å; S119-D122 PolarHBondContact OG-N 2.86Å; S119-D122 PolarHBondContact OG-OD2 2.79Å; S119-V123 WeakPolarHBondContact O-CG2 3.4Å; S119-V123 PolarHBondContact O-N 2.75Å
120	W	93.3	Very high	75	Confident	46 Å²	46	75.2 Å²	75.2	17%	0.174	43%	0.434	C	S	.	.	H	α-helix	trans	-50.1	-43.8	175	172.7	-106.4	0	0	0	112.4	D122 V123 S124 E503 L594 L597 R598	W120-D122 VanDerWaalsContact C-N 3.32Å; W120-D122 PolarHBondContact O-N 3.21Å; W120-V123 HydrophobicContact CE3-CG2 4.07Å; W120-V123 HydrophobicContact CZ3-CG2 4.49Å; W120-V123 VanDerWaalsContact O-CG2 3.26Å; W120-V123 WeakPolarHBondContact O-CG2 3.21Å; W120-V123 PolarHBondContact O-N 2.82Å; W120-S124 VanDerWaalsContact O-CB 3.3Å; W120-S124 WeakPolarHBondContact O-CB 3.41Å; W120-S124 PolarHBondContact O-N 3.46Å; W120-S124 PolarHBondContact O-OG 3.39Å; W120-E503 WeakPolarHBondContact CZ2-OE2 3.29Å; W120-E503 PolarHBondContact NE1-OE2 3.09Å; W120-L594 HydrophobicContact CH2-CD2 4.1Å; W120-L594 HydrophobicContact CZ2-CD2 4.06Å; W120-L597 HydrophobicContact CH2-CB 4.16Å; W120-L597 HydrophobicContact CH2-CD2 4.01Å; W120-L597 HydrophobicContact CH2-CG 4.18Å; W120-L597 HydrophobicContact CZ3-CB 4.04Å; W120-L597 HydrophobicContact CZ3-CD2 3.84Å; W120-L597 HydrophobicContact CZ3-CG 3.7Å; W120-R598 VanDerWaalsContact CD2-CZ 3.41Å; W120-R598 VanDerWaalsContact CE2-NE 3.35Å; W120-R598 HydrophobicContact CH2-CB 4.41Å; W120-R598 VanDerWaalsContact CH2-CD 3.45Å; W120-R598 HydrophobicContact CH2-CG 3.44Å; W120-R598 VanDerWaalsContact CH2-CG 3.44Å; W120-R598 HydrophobicContact CZ2-CG 4.08Å; W120-R598 HydrophobicContact CZ3-CB 4.4Å; W120-R598 VanDerWaalsContact CZ3-CD 3.43Å; W120-R598 HydrophobicContact CZ3-CG 3.75Å
121	K	93.9	Very high	78.1	Confident	147 Å²	147	70.2 Å²	70.2	64%	0.639	41%	0.407	S	S	*	.	H	α-helix	trans	-62.9	-40.8	-178.9	-173.8	-179.3	175.8	-174.8	0	111.5	S119 S124 Q125	S119-K121 PolarHBondContact O-N 2.82Å; K121-S124 WeakPolarHBondContact CA-OG 3.28Å; K121-S124 PolarHBondContact O-OG 2.69Å; K121-Q125 VanDerWaalsContact O-CB 3.27Å; K121-Q125 WeakPolarHBondContact O-CB 3.4Å; K121-Q125 PolarHBondContact O-N 2.64Å; K121-Q125 VanDerWaalsContact O-N 3.1Å
122	D	93.9	Very high	80.7	Confident	74 Å²	74	65.7 Å²	65.7	40%	0.396	38%	0.379	S	S	.	.	H	α-helix	trans	-67.1	-49	179.6	-53.8	-41.6	0	0	0	110.5	L118 S119 W120 S124 Q125 L126	L118-D122 HydrophobicContact CB-CB 4.35Å; L118-D122 HydrophobicContact CD2-CB 4.38Å; S119-D122 WeakPolarHBondContact CB-OD2 3.38Å; S119-D122 PolarHBondContact N-OD2 2.95Å; S119-D122 VanDerWaalsContact N-OD2 3.14Å; S119-D122 PolarHBondContact O-N 3.29Å; S119-D122 PolarHBondContact OG-N 2.86Å; S119-D122 PolarHBondContact OG-OD2 2.79Å; W120-D122 VanDerWaalsContact C-N 3.32Å; W120-D122 PolarHBondContact O-N 3.21Å; D122-S124 PolarHBondContact O-N 2.88Å; D122-Q125 PolarHBondContact O-N 3.33Å; D122-L126 WeakPolarHBondContact O-CB 3.27Å; D122-L126 VanDerWaalsContact O-CG 3.23Å; D122-L126 WeakPolarHBondContact O-CG 3.38Å; D122-L126 PolarHBondContact O-N 2.79Å
123	V	94.8	Very high	83.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-38.9	-177.9	-64.3	0	0	0	0	112.9	L118 S119 W120 L126 L127 M427 F433 L597	L118-V123 HydrophobicContact CB-CG1 3.48Å; L118-V123 VanDerWaalsContact CB-CG1 3.48Å; L118-V123 HydrophobicContact CD1-CG1 3.82Å; L118-V123 HydrophobicContact CG-CG1 4.33Å; S119-V123 WeakPolarHBondContact O-CG2 3.4Å; S119-V123 PolarHBondContact O-N 2.75Å; W120-V123 HydrophobicContact CE3-CG2 4.07Å; W120-V123 HydrophobicContact CZ3-CG2 4.49Å; W120-V123 VanDerWaalsContact O-CG2 3.26Å; W120-V123 WeakPolarHBondContact O-CG2 3.21Å; W120-V123 PolarHBondContact O-N 2.82Å; V123-L126 PolarHBondContact O-N 2.91Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 PolarHBondContact O-N 3.12Å; V123-M427 HydrophobicContact CB-CE 4.18Å; V123-M427 WeakPolarHBondContact O-CE 3.31Å; V123-F433 HydrophobicContact CG1-CD2 3.72Å; V123-F433 HydrophobicContact CG1-CE2 4.09Å; V123-L597 HydrophobicContact CB-CD1 4.15Å; V123-L597 HydrophobicContact CB-CD2 3.9Å; V123-L597 HydrophobicContact CB-CG 4.39Å; V123-L597 HydrophobicContact CG2-CD1 4.23Å; V123-L597 HydrophobicContact CG2-CD2 3.68Å; V123-L597 HydrophobicContact CG2-CG 4.04Å
124	S	95.3	Very high	86.5	Confident	17 Å²	17	62.3 Å²	62.3	12%	0.119	35%	0.352	C	S	.	.	H	α-helix	trans	-67.2	-39.7	177.6	52.6	0	0	0	0	112	W120 K121 D122 T128	W120-S124 VanDerWaalsContact O-CB 3.3Å; W120-S124 WeakPolarHBondContact O-CB 3.41Å; W120-S124 PolarHBondContact O-N 3.46Å; W120-S124 PolarHBondContact O-OG 3.39Å; K121-S124 WeakPolarHBondContact CA-OG 3.28Å; K121-S124 PolarHBondContact O-OG 2.69Å; D122-S124 PolarHBondContact O-N 2.88Å; S124-T128 WeakPolarHBondContact O-CB 3.39Å; S124-T128 PolarHBondContact O-N 3.18Å; S124-T128 PolarHBondContact O-OG1 3.13Å
125	Q	95.6	Very high	89	Confident	128 Å²	128	57.8 Å²	57.8	60%	0.598	32%	0.324	S	S	*	.	H	α-helix	trans	-68.4	-40	174.8	-173.9	174.5	-10.6	0	0	111.8	K121 D122 T128 S129	K121-Q125 VanDerWaalsContact O-CB 3.27Å; K121-Q125 WeakPolarHBondContact O-CB 3.4Å; K121-Q125 PolarHBondContact O-N 2.64Å; K121-Q125 VanDerWaalsContact O-N 3.1Å; D122-Q125 PolarHBondContact O-N 3.33Å; Q125-T128 PolarHBondContact O-N 3.3Å; Q125-S129 WeakPolarHBondContact O-CB 3.36Å; Q125-S129 PolarHBondContact O-N 2.81Å; Q125-S129 PolarHBondContact O-OG 2.64Å
126	L	96	Very high	91.4	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.209	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-45.8	174.4	-77.3	170.7	0	0	0	111.9	L118 D122 V123 T128 S129 K130 M427 D431	L118-L126 HydrophobicContact CD1-CD1 3.97Å; D122-L126 WeakPolarHBondContact O-CB 3.27Å; D122-L126 VanDerWaalsContact O-CG 3.23Å; D122-L126 WeakPolarHBondContact O-CG 3.38Å; D122-L126 PolarHBondContact O-N 2.79Å; V123-L126 PolarHBondContact O-N 2.91Å; L126-T128 VanDerWaalsContact C-N 3.34Å; L126-T128 PolarHBondContact O-N 3.06Å; L126-S129 PolarHBondContact O-N 3.2Å; L126-S129 PolarHBondContact O-OG 3.03Å; L126-K130 WeakPolarHBondContact O-CG 3.29Å; L126-K130 PolarHBondContact O-N 3.42Å; L126-M427 HydrophobicContact CB-CE 4.08Å; L126-M427 HydrophobicContact CB-CG 4.47Å; L126-D431 HydrophobicContact CD1-CB 3.92Å; L126-D431 HydrophobicContact CD2-CB 4.33Å
127	L	96.7	Very high	93.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-45.6	176.4	-179.9	66.5	0	0	0	110.9	V123 S129 K130 L131 A423 F424 M427 G593 L594 L597	V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 PolarHBondContact O-N 3.12Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.92Å; L127-K130 PolarHBondContact O-N 3.08Å; L127-L131 HydrophobicContact CD1-CD1 4.07Å; L127-L131 HydrophobicContact CG-CD1 4.07Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.03Å; L127-A423 HydrophobicContact CD1-CB 4.12Å; L127-F424 HydrophobicContact CD1-CE2 4.21Å; L127-F424 HydrophobicContact CD1-CZ 4.27Å; L127-F424 HydrophobicContact CD2-CZ 4.4Å; L127-M427 HydrophobicContact CB-CE 4.29Å; L127-M427 HydrophobicContact CB-SD 3.9Å; L127-M427 HydrophobicContact CD1-SD 4Å; L127-G593 WeakPolarHBondContact CD2-O 3.49Å; L127-L594 HydrophobicContact CD2-CD2 4.15Å; L127-L594 HydrophobicContact CD2-CG 4.32Å; L127-L597 HydrophobicContact CB-CD2 4.42Å; L127-L597 HydrophobicContact CD2-CB 4.48Å; L127-L597 HydrophobicContact CD2-CD2 4.22Å
128	T	93.8	Very high	94.6	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-39.6	-178.5	-60.3	0	0	0	0	112.3	S124 Q125 L126 K130 L131	S124-T128 WeakPolarHBondContact O-CB 3.39Å; S124-T128 PolarHBondContact O-N 3.18Å; S124-T128 PolarHBondContact O-OG1 3.13Å; Q125-T128 PolarHBondContact O-N 3.3Å; L126-T128 VanDerWaalsContact C-N 3.34Å; L126-T128 PolarHBondContact O-N 3.06Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 3.28Å; T128-L131 PolarHBondContact O-N 3.49Å
129	S	95.3	Very high	95.2	Very high	82 Å²	82	56.5 Å²	56.5	57%	0.573	29%	0.29	S	S	*	.	H	α-helix	trans	-69.2	-27.7	-179.7	70.3	0	0	0	0	113	Q125 L126 L127	Q125-S129 WeakPolarHBondContact O-CB 3.36Å; Q125-S129 PolarHBondContact O-N 2.81Å; Q125-S129 PolarHBondContact O-OG 2.64Å; L126-S129 PolarHBondContact O-N 3.2Å; L126-S129 PolarHBondContact O-OG 3.03Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.92Å
130	K	95.7	Very high	95.4	Very high	37 Å²	37	54.1 Å²	54.1	16%	0.161	27%	0.273	C	S	.	.	H	α-helix	trans	-81.5	-21	177.9	-65.8	-179.3	-164.3	-56	0	113.7	L126 L127 T128 S132 A423 E426 M427 D431	L126-K130 WeakPolarHBondContact O-CG 3.29Å; L126-K130 PolarHBondContact O-N 3.42Å; L127-K130 PolarHBondContact O-N 3.08Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 3.28Å; K130-S132 PolarHBondContact O-N 2.88Å; K130-A423 HydrophobicContact CB-CB 3.92Å; K130-A423 HydrophobicContact CD-CB 4.46Å; K130-E426 HydrophobicContact CD-CB 4.15Å; K130-E426 HydrophobicContact CD-CG 4.23Å; K130-E426 IonicContact NZ-OE1 2.91Å; K130-E426 PolarHBondContact NZ-OE1 3.16Å; K130-M427 HydrophobicContact CD-CG 3.78Å; K130-D431 WeakPolarHBondContact CE-OD2 3.42Å; K130-D431 IonicContact NZ-OD1 2.75Å; K130-D431 IonicContact NZ-OD2 3.13Å; K130-D431 PolarHBondContact NZ-OD2 3.23Å
131	L	95.9	Very high	95.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.298	C	S	.	.			trans	-95	88.6	179.1	-63.4	174.6	0	0	0	110.8	L127 T128 F136 E419 L420 A423 A589 R590	L127-L131 HydrophobicContact CD1-CD1 4.07Å; L127-L131 HydrophobicContact CG-CD1 4.07Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.03Å; T128-L131 PolarHBondContact O-N 3.49Å; L131-F136 HydrophobicContact CD2-CE2 4.23Å; L131-F136 HydrophobicContact CD2-CZ 4.4Å; L131-E419 HydrophobicContact CD2-CB 4.39Å; L131-L420 HydrophobicContact CD1-CD2 3.94Å; L131-L420 HydrophobicContact CD2-CD2 4.18Å; L131-A423 HydrophobicContact CD2-CB 3.99Å; L131-A423 HydrophobicContact CG-CB 4.42Å; L131-A589 HydrophobicContact CD1-CB 4.19Å; L131-A589 HydrophobicContact CD2-CB 4.31Å; L131-R590 HydrophobicContact CB-CG 4.03Å; L131-R590 HydrophobicContact CD1-CB 4.41Å; L131-R590 HydrophobicContact CD1-CG 3.78Å; L131-R590 PolarHBondContact O-NE 3.11Å; L131-R590 PolarHBondContact O-NH2 2.78Å
132	S	93.9	Very high	95.6	Very high	39 Å²	39	56 Å²	56	27%	0.273	29%	0.285	S	S	.	.			trans	-103.9	151.2	-178.4	67.5	0	0	0	0	113.2	K130 E134 A135 F136	K130-S132 PolarHBondContact O-N 2.88Å; S132-E134 PolarHBondContact O-N 2.94Å; S132-A135 PolarHBondContact O-N 3.31Å; S132-A135 WeakPolarHBondContact OG-CB 3.37Å; S132-A135 PolarHBondContact OG-N 3.2Å; S132-F136 VanDerWaalsContact O-CD2 3.29Å; S132-F136 WeakPolarHBondContact O-CD2 3.32Å; S132-F136 PolarHBondContact O-N 3.06Å
133	S	94	Very high	95.7	Very high	20 Å²	20	52.8 Å²	52.8	14%	0.14	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-31.4	175.8	35.5	0	0	0	0	112.6	F136 K137 S582	S133-F136 PolarHBondContact O-N 3.02Å; S133-K137 WeakPolarHBondContact O-CB 3.37Å; S133-K137 PolarHBondContact O-N 2.78Å; S133-S582 WeakPolarHBondContact O-CB 3.45Å
134	E	95.2	Very high	95.6	Very high	132 Å²	132	54.2 Å²	54.2	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-69.8	-41.8	-177.6	-65.1	62.6	-131.8	0	0	110.7	S132 K137 K138	S132-E134 PolarHBondContact O-N 2.94Å; E134-K137 PolarHBondContact O-N 3.31Å; E134-K138 PolarHBondContact O-N 3.4Å
135	A	95.5	Very high	95.5	Very high	26 Å²	26	57.1 Å²	57.1	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-45.8	173.5	0	0	0	0	0	110.9	S132 K137 K138 T139 E419	S132-A135 PolarHBondContact O-N 3.31Å; S132-A135 WeakPolarHBondContact OG-CB 3.37Å; S132-A135 PolarHBondContact OG-N 3.2Å; A135-K137 PolarHBondContact O-N 3.42Å; A135-K138 PolarHBondContact O-N 3.22Å; A135-T139 PolarHBondContact O-N 3.37Å; A135-T139 PolarHBondContact O-OG1 3.29Å; A135-E419 WeakPolarHBondContact CB-OE2 3.39Å
136	F	97.3	Very high	95.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-39	176.1	-83	-69	0	0	0	113.3	L131 S132 S133 K138 T139 L140 V416 E419 T585 A586 A589	L131-F136 HydrophobicContact CD2-CE2 4.23Å; L131-F136 HydrophobicContact CD2-CZ 4.4Å; S132-F136 VanDerWaalsContact O-CD2 3.29Å; S132-F136 WeakPolarHBondContact O-CD2 3.32Å; S132-F136 PolarHBondContact O-N 3.06Å; S133-F136 PolarHBondContact O-N 3.02Å; F136-K138 PolarHBondContact O-N 2.97Å; F136-T139 PolarHBondContact O-N 3.13Å; F136-L140 WeakPolarHBondContact O-CB 3.13Å; F136-L140 WeakPolarHBondContact O-CD1 3.26Å; F136-L140 WeakPolarHBondContact O-CG 3.47Å; F136-L140 PolarHBondContact O-N 2.89Å; F136-V416 HydrophobicContact CE1-CG2 4.07Å; F136-E419 HydrophobicContact CD1-CB 4.45Å; F136-E419 HydrophobicContact CD1-CG 3.9Å; F136-E419 HydrophobicContact CE1-CB 3.61Å; F136-E419 HydrophobicContact CE1-CG 3.53Å; F136-E419 HydrophobicContact CE2-CB 4.07Å; F136-E419 HydrophobicContact CE2-CG 4.25Å; F136-E419 HydrophobicContact CG-CG 4.39Å; F136-E419 HydrophobicContact CZ-CB 3.37Å; F136-E419 HydrophobicContact CZ-CG 3.72Å; F136-T585 HydrophobicContact CD1-CG2 3.4Å; F136-T585 VanDerWaalsContact CD1-CG2 3.4Å; F136-T585 HydrophobicContact CE1-CG2 3.69Å; F136-T585 HydrophobicContact CG-CG2 4.03Å; F136-A586 HydrophobicContact CD2-CB 3.64Å; F136-A586 HydrophobicContact CE2-CB 3.99Å; F136-A589 HydrophobicContact CE1-CB 4.31Å; F136-A589 HydrophobicContact CE2-CB 3.78Å; F136-A589 HydrophobicContact CZ-CB 3.32Å
137	K	96.6	Very high	94.9	Very high	151 Å²	151	58.9 Å²	58.9	66%	0.657	30%	0.295	S	S	*	.	H	α-helix	trans	-58.6	-39.5	175.7	-175.2	177.7	-179	178.1	0	111.6	S133 E134 A135	S133-K137 WeakPolarHBondContact O-CB 3.37Å; S133-K137 PolarHBondContact O-N 2.78Å; E134-K137 PolarHBondContact O-N 3.31Å; A135-K137 PolarHBondContact O-N 3.42Å
138	K	97.1	Very high	94.7	Very high	140 Å²	140	59 Å²	59	61%	0.609	30%	0.296	S	S	*	.	H	α-helix	trans	-69	-52.8	175.4	-177.7	-179	175.1	-176	0	111.2	E134 A135 F136 L140 K141 D142	E134-K138 PolarHBondContact O-N 3.4Å; A135-K138 PolarHBondContact O-N 3.22Å; F136-K138 PolarHBondContact O-N 2.97Å; K138-L140 PolarHBondContact O-N 2.71Å; K138-K141 WeakPolarHBondContact O-CB 3.28Å; K138-K141 PolarHBondContact O-N 2.85Å; K138-K141 VanDerWaalsContact O-N 3.12Å; K138-D142 VanDerWaalsContact O-CG 3.3Å; K138-D142 PolarHBondContact O-N 2.84Å
139	T	96.9	Very high	94.7	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-39.3	-174	-60.4	0	0	0	0	112.3	A135 F136 K141 D142 F143 I418 E419	A135-T139 PolarHBondContact O-N 3.37Å; A135-T139 PolarHBondContact O-OG1 3.29Å; F136-T139 PolarHBondContact O-N 3.13Å; T139-K141 VanDerWaalsContact C-N 3.29Å; T139-K141 PolarHBondContact O-N 3.3Å; T139-D142 PolarHBondContact O-N 3.03Å; T139-D142 VanDerWaalsContact O-N 3.11Å; T139-F143 HydrophobicContact CG2-CD2 3.7Å; T139-F143 HydrophobicContact CG2-CE2 3.9Å; T139-F143 WeakPolarHBondContact O-CD2 3.23Å; T139-F143 PolarHBondContact O-N 3Å; T139-I418 HydrophobicContact CG2-CB 4.38Å; T139-I418 HydrophobicContact CG2-CG2 4.26Å; T139-E419 WeakPolarHBondContact CB-OE1 3.23Å; T139-E419 HydrophobicContact CG2-CG 4.28Å; T139-E419 PolarHBondContact OG1-OE1 2.97Å
140	L	97.3	Very high	94.8	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-43	172.9	-75.7	166.5	0	0	0	111.8	F136 K138 D144 T411 V412 T581	F136-L140 WeakPolarHBondContact O-CB 3.13Å; F136-L140 WeakPolarHBondContact O-CD1 3.26Å; F136-L140 WeakPolarHBondContact O-CG 3.47Å; F136-L140 PolarHBondContact O-N 2.89Å; K138-L140 PolarHBondContact O-N 2.71Å; L140-D144 WeakPolarHBondContact O-CB 3.01Å; L140-D144 PolarHBondContact O-N 3.38Å; L140-T411 HydrophobicContact CD2-CG2 4.42Å; L140-T411 WeakPolarHBondContact O-CG2 3.37Å; L140-V412 HydrophobicContact CD2-CG2 4.06Å; L140-T581 HydrophobicContact CD1-CG2 4.03Å
141	K	96.1	Very high	94.7	Very high	165 Å²	165	53.8 Å²	53.8	72%	0.717	27%	0.269	S	S	*	.	H	α-helix	trans	-67.4	-39.2	175.8	-173.1	-178.1	178.9	-176.5	0	112	K138 T139 F143 D144	K138-K141 WeakPolarHBondContact O-CB 3.28Å; K138-K141 PolarHBondContact O-N 2.85Å; K138-K141 VanDerWaalsContact O-N 3.12Å; T139-K141 VanDerWaalsContact C-N 3.29Å; T139-K141 PolarHBondContact O-N 3.3Å; K141-F143 VanDerWaalsContact C-N 3.31Å; K141-F143 PolarHBondContact O-N 3.41Å; K141-D144 PolarHBondContact O-N 2.94Å
142	D	95.2	Very high	94.7	Very high	67 Å²	67	54.8 Å²	54.8	36%	0.358	28%	0.276	S	S	.	.	H	α-helix	trans	-68.3	-29.6	-177	-72.7	-12.5	0	0	0	112.9	K138 T139 K161	K138-D142 VanDerWaalsContact O-CG 3.3Å; K138-D142 PolarHBondContact O-N 2.84Å; T139-D142 PolarHBondContact O-N 3.03Å; T139-D142 VanDerWaalsContact O-N 3.11Å; D142-K161 PolarHBondContact O-NZ 2.74Å
143	F	95	Very high	94.7	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	2	-179.3	-76.2	-82.9	0	0	0	114	T139 K141 R148 L158 K161 I162 T411 T414 I418	T139-F143 HydrophobicContact CG2-CD2 3.7Å; T139-F143 HydrophobicContact CG2-CE2 3.9Å; T139-F143 WeakPolarHBondContact O-CD2 3.23Å; T139-F143 PolarHBondContact O-N 3Å; K141-F143 VanDerWaalsContact C-N 3.31Å; K141-F143 PolarHBondContact O-N 3.41Å; F143-R148 PolarHBondContact O-NH1 2.93Å; F143-R148 PolarHBondContact O-NH2 3.27Å; F143-L158 HydrophobicContact CD1-CD2 4.08Å; F143-K161 HydrophobicContact CE1-CD 4.11Å; F143-K161 HydrophobicContact CE1-CG 4.28Å; F143-K161 HydrophobicContact CZ-CD 4.33Å; F143-K161 HydrophobicContact CZ-CG 4.35Å; F143-I162 HydrophobicContact CE1-CD1 4.26Å; F143-I162 HydrophobicContact CE1-CG1 3.64Å; F143-I162 HydrophobicContact CZ-CG1 4.13Å; F143-T411 HydrophobicContact CB-CG2 4.11Å; F143-T414 HydrophobicContact CD1-CG2 3.68Å; F143-T414 HydrophobicContact CE1-CG2 4Å; F143-T414 HydrophobicContact CG-CG2 4.08Å; F143-I418 HydrophobicContact CE2-CB 4.46Å; F143-I418 HydrophobicContact CE2-CG1 4.02Å; F143-I418 HydrophobicContact CE2-CG2 4.29Å; F143-I418 HydrophobicContact CZ-CD1 4.3Å; F143-I418 HydrophobicContact CZ-CG1 3.88Å
144	D	94.3	Very high	94.8	Very high	31 Å²	31	64 Å²	64	17%	0.166	31%	0.313	C	S	.	.			trans	-78.2	123.2	175.6	-171.6	12.3	0	0	0	111.2	L140 K141 R148 R405 Y407 T411	L140-D144 WeakPolarHBondContact O-CB 3.01Å; L140-D144 PolarHBondContact O-N 3.38Å; K141-D144 PolarHBondContact O-N 2.94Å; D144-R148 IonicContact OD1-NH2 2.79Å; D144-R405 VanDerWaalsContact CG-NH2 3.31Å; D144-R405 IonicContact OD1-CZ 3.51Å; D144-R405 IonicContact OD1-NE 3.62Å; D144-R405 PolarHBondContact OD1-NE 3.46Å; D144-R405 IonicContact OD1-NH2 2.64Å; D144-R405 PolarHBondContact OD1-NH2 2.86Å; D144-R405 IonicContact OD2-CZ 2.82Å; D144-R405 IonicContact OD2-NE 3.33Å; D144-R405 IonicContact OD2-NH2 3.46Å; D144-R405 PolarHBondContact OD2-NH2 3.03Å; D144-Y407 HydrophobicContact CB-CD2 4.38Å; D144-Y407 HydrophobicContact CB-CE2 4.06Å; D144-T411 HydrophobicContact CB-CG2 4.36Å
145	K	92.5	Very high	94.8	Very high	78 Å²	78	57.9 Å²	57.9	34%	0.339	28%	0.284	S	S	.	.			trans	-137.3	142.4	-176.5	-66.7	-65.2	-172.2	166.9	0	109.8	R148 L158 R405	K145-R148 PolarHBondContact O-NH2 3.24Å; K145-L158 HydrophobicContact CG-CD1 4.08Å; K145-L158 HydrophobicContact CG-CD2 3.89Å; K145-L158 HydrophobicContact CG-CG 4.24Å; K145-R405 WeakPolarHBondContact O-CG 3.3Å
146	Q	88.8	Confident	94.8	Very high	136 Å²	136	59.9 Å²	59.9	64%	0.636	29%	0.289	S	S	*	.	S	Bend	trans	-67.6	-35	-178.9	-65.1	-62.9	-15.4	0	0	113.3	G404 R405	Q146-G404 CarbonylContact O-C 3.58Å; Q146-R405 WeakPolarHBondContact O-CA 3.44Å; Q146-R405 PolarHBondContact O-N 3.31Å
147	N	89.3	Confident	94.8	Very high	68 Å²	68	62.9 Å²	62.9	36%	0.364	31%	0.31	S	S	.	.			trans	-138.2	147.7	174.8	-167.7	2.1	0	0	0	109.2	S149 E154 G404	N147-S149 PolarHBondContact OD1-N 3.46Å; N147-S149 PolarHBondContact OD1-OG 3.01Å; N147-E154 WeakPolarHBondContact O-CB 3.44Å; N147-G404 WeakPolarHBondContact CA-O 3.29Å
148	R	93.2	Very high	94.8	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.008	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-157.2	41.5	-179.8	60.3	-176.7	80.8	-169	11.2	111.4	F143 D144 K145 L158 R400 D401 A402 G404 R405 T411	F143-R148 PolarHBondContact O-NH1 2.93Å; F143-R148 PolarHBondContact O-NH2 3.27Å; D144-R148 IonicContact OD1-NH2 2.79Å; K145-R148 PolarHBondContact O-NH2 3.24Å; R148-L158 HydrophobicContact CB-CD1 4.1Å; R148-R400 VanDerWaalsContact CD-O 3.24Å; R148-R400 WeakPolarHBondContact CD-O 2.9Å; R148-D401 WeakPolarHBondContact O-CA 3.19Å; R148-D401 WeakPolarHBondContact O-CB 3.47Å; R148-A402 CarbonylContact C-O 3.31Å; R148-A402 HydrophobicContact CG-CB 3.86Å; R148-A402 PolarHBondContact O-N 2.8Å; R148-A402 VanDerWaalsContact O-N 3.1Å; R148-G404 PolarHBondContact N-O 2.77Å; R148-R405 PolarHBondContact NE-O 3.34Å; R148-R405 PolarHBondContact NH2-O 3.32Å; R148-T411 PolarHBondContact NH1-OG1 3.15Å; R148-T411 PolarHBondContact NH2-OG1 2.67Å
149	S	94.4	Very high	94.8	Very high	41 Å²	41	49.2 Å²	49.2	29%	0.287	25%	0.251	S	S	.	.			trans	-59.6	141.1	179.1	-62.5	0	0	0	0	110.5	N147 G151 S152 D155	N147-S149 PolarHBondContact OD1-N 3.46Å; N147-S149 PolarHBondContact OD1-OG 3.01Å; S149-G151 PolarHBondContact O-N 3.04Å; S149-S152 WeakPolarHBondContact O-CB 3.44Å; S149-S152 PolarHBondContact O-N 3.42Å; S149-S152 VanDerWaalsContact O-N 3.1Å; S149-S152 PolarHBondContact O-OG 3.31Å; S149-D155 WeakPolarHBondContact O-CB 3.28Å
150	A	96.2	Very high	94.8	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.4	-176.2	0	0	0	0	0	112.7	S152 L182 D401 A446 F449	A150-S152 PolarHBondContact O-N 2.61Å; A150-L182 HydrophobicContact CB-CD1 3.78Å; A150-D401 HydrophobicContact CB-CB 3.95Å; A150-A446 HydrophobicContact CB-CB 3.81Å; A150-F449 HydrophobicContact CB-CD2 4.12Å; A150-F449 HydrophobicContact CB-CE2 3.96Å
151	G	94.3	Very high	94.9	Very high	16 Å²	16	56.1 Å²	56.1	17%	0.165	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	24.9	-178.4	0	0	0	0	0	114.6	S149 D155 K375 E376	S149-G151 PolarHBondContact O-N 3.04Å; G151-D155 PolarHBondContact N-OD2 2.78Å; G151-K375 PolarHBondContact O-NZ 2.78Å; G151-E376 WeakPolarHBondContact CA-O 3.45Å
152	S	95.3	Very high	95	Very high	21 Å²	21	48.3 Å²	48.3	15%	0.147	25%	0.251	C	S	.	.	S	Bend	trans	-87.6	168.8	167.1	62.7	0	0	0	0	111.7	S149 A150 E154 D155 M156	S149-S152 WeakPolarHBondContact O-CB 3.44Å; S149-S152 PolarHBondContact O-N 3.42Å; S149-S152 VanDerWaalsContact O-N 3.1Å; S149-S152 PolarHBondContact O-OG 3.31Å; A150-S152 PolarHBondContact O-N 2.61Å; S152-E154 VanDerWaalsContact C-N 3.27Å; S152-E154 PolarHBondContact O-N 3.39Å; S152-D155 WeakPolarHBondContact O-CB 3.35Å; S152-D155 PolarHBondContact O-N 2.8Å; S152-D155 WeakPolarHBondContact OG-CB 3.27Å; S152-D155 PolarHBondContact OG-N 3.1Å; S152-D155 VanDerWaalsContact OG-N 3.15Å; S152-M156 PolarHBondContact O-N 3.39Å
153	E	95	Very high	95.1	Very high	167 Å²	167	47.4 Å²	47.4	78%	0.78	24%	0.244	S	C	*	.	H	α-helix	trans	-62.3	-36.5	173.4	-65.7	-175.1	178	0	0	111.5	M156 S157	E153-M156 PolarHBondContact O-N 3.39Å; E153-S157 VanDerWaalsContact O-CB 3.3Å; E153-S157 WeakPolarHBondContact O-CB 3.5Å; E153-S157 PolarHBondContact O-N 2.9Å
154	E	94.9	Very high	95.3	Very high	86 Å²	86	51.3 Å²	51.3	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-40.1	175.5	-66	81	-179.9	0	0	112.1	N147 S152 S157 L158	N147-E154 WeakPolarHBondContact O-CB 3.44Å; S152-E154 VanDerWaalsContact C-N 3.27Å; S152-E154 PolarHBondContact O-N 3.39Å; E154-S157 PolarHBondContact O-N 3.36Å; E154-L158 WeakPolarHBondContact O-CG 3.18Å; E154-L158 PolarHBondContact O-N 3.4Å
155	D	96.2	Very high	95.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-53	173	-163.7	61.9	0	0	0	110	S149 G151 S152 S157 L158 A159 R400 S445	S149-D155 WeakPolarHBondContact O-CB 3.28Å; G151-D155 PolarHBondContact N-OD2 2.78Å; S152-D155 WeakPolarHBondContact O-CB 3.35Å; S152-D155 PolarHBondContact O-N 2.8Å; S152-D155 WeakPolarHBondContact OG-CB 3.27Å; S152-D155 PolarHBondContact OG-N 3.1Å; S152-D155 VanDerWaalsContact OG-N 3.15Å; D155-S157 VanDerWaalsContact C-N 3.34Å; D155-S157 PolarHBondContact O-N 2.78Å; D155-L158 WeakPolarHBondContact O-CB 3.47Å; D155-L158 PolarHBondContact O-N 2.98Å; D155-L158 VanDerWaalsContact O-N 3.15Å; D155-A159 PolarHBondContact O-N 3.1Å; D155-R400 PolarHBondContact O-NH1 3.26Å; D155-R400 IonicContact OD1-CZ 3.77Å; D155-R400 IonicContact OD1-NH1 2.97Å; D155-R400 PolarHBondContact OD1-NH1 3.34Å; D155-R400 IonicContact OD1-NH2 3.69Å; D155-R400 IonicContact OD2-CZ 3.07Å; D155-R400 IonicContact OD2-NH1 3.92Å; D155-R400 PolarHBondContact OD2-NH1 3.09Å; D155-R400 IonicContact OD2-NH2 2.66Å; D155-R400 PolarHBondContact OD2-NH2 3.24Å; D155-S445 PolarHBondContact OD2-OG 3.18Å
156	M	95.6	Very high	95.7	Very high	67 Å²	67	47.6 Å²	47.6	33%	0.33	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-38.6	179.1	-167.6	179.1	-68.7	0	0	112.6	S152 E153 L158 A159 N160	S152-M156 PolarHBondContact O-N 3.39Å; E153-M156 PolarHBondContact O-N 3.39Å; M156-L158 VanDerWaalsContact C-N 3.34Å; M156-L158 PolarHBondContact O-N 2.71Å; M156-A159 WeakPolarHBondContact O-CB 3.48Å; M156-A159 PolarHBondContact O-N 3.23Å; M156-N160 PolarHBondContact O-N 3.48Å; M156-N160 PolarHBondContact O-ND2 3.11Å
157	S	96.1	Very high	96.1	Very high	63 Å²	63	47.4 Å²	47.4	44%	0.441	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-41.7	174.4	-177.5	0	0	0	0	111.9	E153 E154 D155 K161	E153-S157 VanDerWaalsContact O-CB 3.3Å; E153-S157 WeakPolarHBondContact O-CB 3.5Å; E153-S157 PolarHBondContact O-N 2.9Å; E154-S157 PolarHBondContact O-N 3.36Å; D155-S157 VanDerWaalsContact C-N 3.34Å; D155-S157 PolarHBondContact O-N 2.78Å; S157-K161 WeakPolarHBondContact O-CB 3.26Å; S157-K161 PolarHBondContact O-N 2.95Å
158	L	96.8	Very high	96.5	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-40.7	174.6	-71.8	172.4	0	0	0	111.7	F143 K145 R148 E154 D155 M156 K161 I162 R400	F143-L158 HydrophobicContact CD1-CD2 4.08Å; K145-L158 HydrophobicContact CG-CD1 4.08Å; K145-L158 HydrophobicContact CG-CD2 3.89Å; K145-L158 HydrophobicContact CG-CG 4.24Å; R148-L158 HydrophobicContact CB-CD1 4.1Å; E154-L158 WeakPolarHBondContact O-CG 3.18Å; E154-L158 PolarHBondContact O-N 3.4Å; D155-L158 WeakPolarHBondContact O-CB 3.47Å; D155-L158 PolarHBondContact O-N 2.98Å; D155-L158 VanDerWaalsContact O-N 3.15Å; M156-L158 VanDerWaalsContact C-N 3.34Å; M156-L158 PolarHBondContact O-N 2.71Å; L158-K161 PolarHBondContact O-N 3.12Å; L158-I162 WeakPolarHBondContact O-CG1 3.35Å; L158-I162 PolarHBondContact O-N 3.3Å; L158-R400 HydrophobicContact CB-CG 4.14Å; L158-R400 HydrophobicContact CD1-CG 4.36Å
159	A	97.8	Very high	96.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-51.9	174.8	0	0	0	0	0	111.3	D155 M156 K161 I162 F163 H378 V380	D155-A159 PolarHBondContact O-N 3.1Å; M156-A159 WeakPolarHBondContact O-CB 3.48Å; M156-A159 PolarHBondContact O-N 3.23Å; A159-K161 VanDerWaalsContact C-N 3.33Å; A159-K161 PolarHBondContact O-N 2.84Å; A159-I162 PolarHBondContact O-N 2.87Å; A159-I162 VanDerWaalsContact O-N 3.13Å; A159-F163 PolarHBondContact O-N 2.8Å; A159-H378 HydrophobicContact CB-CB 4.04Å; A159-V380 HydrophobicContact CB-CG2 3.75Å
160	N	97.8	Very high	96.7	Very high	79 Å²	79	52 Å²	52	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-42.9	178	-70.5	-28.1	0	0	0	111.9	M156 I162 F163 D164	M156-N160 PolarHBondContact O-N 3.48Å; M156-N160 PolarHBondContact O-ND2 3.11Å; N160-I162 VanDerWaalsContact C-N 3.32Å; N160-I162 PolarHBondContact O-N 3.4Å; N160-F163 WeakPolarHBondContact O-CB 3.39Å; N160-F163 PolarHBondContact O-N 2.82Å; N160-D164 WeakPolarHBondContact O-CB 3.26Å; N160-D164 PolarHBondContact O-N 3.42Å
161	K	97.8	Very high	96.6	Very high	75 Å²	75	52.5 Å²	52.5	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-40.8	175.8	-178.5	175.1	178.7	172.2	0	112.6	D142 F143 S157 L158 A159 T165	D142-K161 PolarHBondContact O-NZ 2.74Å; F143-K161 HydrophobicContact CE1-CD 4.11Å; F143-K161 HydrophobicContact CE1-CG 4.28Å; F143-K161 HydrophobicContact CZ-CD 4.33Å; F143-K161 HydrophobicContact CZ-CG 4.35Å; S157-K161 WeakPolarHBondContact O-CB 3.26Å; S157-K161 PolarHBondContact O-N 2.95Å; L158-K161 PolarHBondContact O-N 3.12Å; A159-K161 VanDerWaalsContact C-N 3.33Å; A159-K161 PolarHBondContact O-N 2.84Å; K161-T165 WeakPolarHBondContact O-CB 3.41Å; K161-T165 PolarHBondContact O-N 2.9Å; K161-T165 PolarHBondContact O-OG1 3.3Å
162	I	98.3	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-45.5	176.7	-68.6	176.9	0	0	0	110.5	F143 L158 A159 N160 D164 T165 F166 V380 R400 T414 I418 S443	F143-I162 HydrophobicContact CE1-CD1 4.26Å; F143-I162 HydrophobicContact CE1-CG1 3.64Å; F143-I162 HydrophobicContact CZ-CG1 4.13Å; L158-I162 WeakPolarHBondContact O-CG1 3.35Å; L158-I162 PolarHBondContact O-N 3.3Å; A159-I162 PolarHBondContact O-N 2.87Å; A159-I162 VanDerWaalsContact O-N 3.13Å; N160-I162 VanDerWaalsContact C-N 3.32Å; N160-I162 PolarHBondContact O-N 3.4Å; I162-D164 PolarHBondContact O-N 3.47Å; I162-T165 WeakPolarHBondContact O-CB 3.35Å; I162-T165 PolarHBondContact O-N 3.16Å; I162-T165 VanDerWaalsContact O-N 3.12Å; I162-F166 HydrophobicContact CG2-CD2 3.97Å; I162-F166 HydrophobicContact CG2-CE1 4.43Å; I162-F166 HydrophobicContact CG2-CE2 3.46Å; I162-F166 VanDerWaalsContact CG2-CE2 3.46Å; I162-F166 HydrophobicContact CG2-CZ 3.73Å; I162-F166 PolarHBondContact O-N 3.43Å; I162-V380 HydrophobicContact CB-CG1 4.45Å; I162-V380 HydrophobicContact CG2-CB 4.32Å; I162-V380 HydrophobicContact CG2-CG1 3.88Å; I162-R400 HydrophobicContact CD1-CG 4.37Å; I162-T414 HydrophobicContact CD1-CG2 3.72Å; I162-T414 HydrophobicContact CG1-CG2 4.48Å; I162-I418 HydrophobicContact CB-CD1 4.41Å; I162-I418 HydrophobicContact CG1-CD1 4.13Å; I162-I418 HydrophobicContact CG2-CD1 3.97Å; I162-S443 VanDerWaalsContact CD1-OG 3.27Å; I162-S443 WeakPolarHBondContact CD1-OG 3.37Å
163	F	98.5	Very high	96.5	Very high	49 Å²	49	55 Å²	55	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-55.7	-50.1	176.8	-177.6	-83.5	0	0	0	111.4	A159 N160 T165 F166 K167 P173 V380	A159-F163 PolarHBondContact O-N 2.8Å; N160-F163 WeakPolarHBondContact O-CB 3.39Å; N160-F163 PolarHBondContact O-N 2.82Å; F163-T165 VanDerWaalsContact C-N 3.27Å; F163-T165 PolarHBondContact O-N 2.83Å; F163-F166 PolarHBondContact O-N 2.78Å; F163-K167 HydrophobicContact CE1-CD 4.38Å; F163-K167 PolarHBondContact O-N 3.24Å; F163-P173 HydrophobicContact CD1-CG 4.47Å; F163-P173 HydrophobicContact CD2-CB 3.87Å; F163-P173 HydrophobicContact CD2-CG 4.17Å; F163-P173 HydrophobicContact CE1-CG 4.16Å; F163-P173 HydrophobicContact CE2-CB 3.82Å; F163-P173 HydrophobicContact CE2-CG 3.85Å; F163-P173 HydrophobicContact CG-CB 4.43Å; F163-P173 HydrophobicContact CG-CG 4.46Å; F163-P173 HydrophobicContact CZ-CB 4.33Å; F163-P173 HydrophobicContact CZ-CG 3.84Å; F163-V380 HydrophobicContact CB-CG1 3.86Å; F163-V380 HydrophobicContact CD2-CG1 4.23Å
164	D	98.2	Very high	96.6	Very high	88 Å²	88	48 Å²	48	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-34.4	177.9	-73.4	-26.7	0	0	0	112.2	N160 I162 K167 T168	N160-D164 WeakPolarHBondContact O-CB 3.26Å; N160-D164 PolarHBondContact O-N 3.42Å; I162-D164 PolarHBondContact O-N 3.47Å; D164-K167 PolarHBondContact O-N 3.34Å; D164-T168 WeakPolarHBondContact O-CB 3.38Å; D164-T168 PolarHBondContact O-N 3.38Å; D164-T168 PolarHBondContact O-OG1 2.95Å
165	T	98.1	Very high	96.6	Very high	31 Å²	31	45.3 Å²	45.3	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-49.6	174	-59.7	0	0	0	0	110.5	K161 I162 F163 K167 T168 L169 I418	K161-T165 WeakPolarHBondContact O-CB 3.41Å; K161-T165 PolarHBondContact O-N 2.9Å; K161-T165 PolarHBondContact O-OG1 3.3Å; I162-T165 WeakPolarHBondContact O-CB 3.35Å; I162-T165 PolarHBondContact O-N 3.16Å; I162-T165 VanDerWaalsContact O-N 3.12Å; F163-T165 VanDerWaalsContact C-N 3.27Å; F163-T165 PolarHBondContact O-N 2.83Å; T165-K167 VanDerWaalsContact C-N 3.33Å; T165-K167 PolarHBondContact O-N 3.31Å; T165-T168 PolarHBondContact O-N 3.41Å; T165-L169 HydrophobicContact CG2-CD1 4.32Å; T165-L169 VanDerWaalsContact O-CG 3.29Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 2.8Å; T165-I418 HydrophobicContact CG2-CD1 4.2Å; T165-I418 HydrophobicContact CG2-CG2 4.08Å
166	F	98.2	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-40.4	176.6	-66.5	-27.8	0	0	0	112.4	I162 F163 L169 G170 M171 P173 V380 L417 I418 A421 F441	I162-F166 HydrophobicContact CG2-CD2 3.97Å; I162-F166 HydrophobicContact CG2-CE1 4.43Å; I162-F166 HydrophobicContact CG2-CE2 3.46Å; I162-F166 VanDerWaalsContact CG2-CE2 3.46Å; I162-F166 HydrophobicContact CG2-CZ 3.73Å; I162-F166 PolarHBondContact O-N 3.43Å; F163-F166 PolarHBondContact O-N 2.78Å; F166-L169 WeakPolarHBondContact O-CB 3.35Å; F166-L169 PolarHBondContact O-N 3.41Å; F166-G170 PolarHBondContact O-N 3.14Å; F166-M171 HydrophobicContact CB-CB 4.42Å; F166-M171 HydrophobicContact CB-SD 4.2Å; F166-M171 HydrophobicContact CD1-SD 3.88Å; F166-M171 HydrophobicContact CG-SD 4.21Å; F166-M171 WeakPolarHBondContact O-CB 3.39Å; F166-M171 PolarHBondContact O-N 2.89Å; F166-M171 VanDerWaalsContact O-N 3.11Å; F166-P173 HydrophobicContact CB-CB 3.84Å; F166-P173 HydrophobicContact CB-CG 4.22Å; F166-P173 HydrophobicContact CD2-CB 4.36Å; F166-V380 HydrophobicContact CD2-CG1 4.2Å; F166-V380 HydrophobicContact CE2-CG1 4.24Å; F166-L417 HydrophobicContact CZ-CD2 4.41Å; F166-I418 HydrophobicContact CE1-CD1 3.9Å; F166-I418 HydrophobicContact CZ-CD1 4.25Å; F166-A421 HydrophobicContact CD1-CB 4.19Å; F166-A421 HydrophobicContact CE1-CB 3.66Å; F166-F441 HydrophobicContact CE1-CB 4.21Å; F166-F441 HydrophobicContact CE2-CB 4.44Å; F166-F441 HydrophobicContact CZ-CB 3.74Å
167	K	97.4	Very high	96.4	Very high	133 Å²	133	45.7 Å²	45.7	58%	0.578	26%	0.256	S	S	*	.	H	α-helix	trans	-61.3	-44.5	175	-171.7	175.4	-179.5	177	0	111.9	F163 D164 T165 L169 G170 P173	F163-K167 HydrophobicContact CE1-CD 4.38Å; F163-K167 PolarHBondContact O-N 3.24Å; D164-K167 PolarHBondContact O-N 3.34Å; T165-K167 VanDerWaalsContact C-N 3.33Å; T165-K167 PolarHBondContact O-N 3.31Å; K167-L169 VanDerWaalsContact C-N 3.28Å; K167-L169 PolarHBondContact O-N 2.82Å; K167-G170 WeakPolarHBondContact O-CA 3.39Å; K167-G170 PolarHBondContact O-N 3.34Å; K167-P173 HydrophobicContact CB-CG 4.08Å
168	T	97.6	Very high	96.2	Very high	125 Å²	125	43.2 Å²	43.2	77%	0.767	24%	0.237	S	C	*	.	H	α-helix	trans	-64.3	-33.9	177.4	-58.9	0	0	0	0	112	D164 T165 G170	D164-T168 WeakPolarHBondContact O-CB 3.38Å; D164-T168 PolarHBondContact O-N 3.38Å; D164-T168 PolarHBondContact O-OG1 2.95Å; T165-T168 PolarHBondContact O-N 3.41Å; T168-G170 PolarHBondContact O-N 3.26Å
169	L	96.3	Very high	96	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.199	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.1	172.1	-67	174.7	0	0	0	112.8	T165 F166 K167 M171 A421 K422 Q425 K429	T165-L169 HydrophobicContact CG2-CD1 4.32Å; T165-L169 VanDerWaalsContact O-CG 3.29Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 2.8Å; F166-L169 WeakPolarHBondContact O-CB 3.35Å; F166-L169 PolarHBondContact O-N 3.41Å; K167-L169 VanDerWaalsContact C-N 3.28Å; K167-L169 PolarHBondContact O-N 2.82Å; L169-M171 VanDerWaalsContact C-N 3.34Å; L169-M171 HydrophobicContact CB-CE 4.45Å; L169-M171 HydrophobicContact CB-CG 4.33Å; L169-M171 HydrophobicContact CD1-CE 4.18Å; L169-A421 HydrophobicContact CD1-CB 4.33Å; L169-K422 HydrophobicContact CD1-CB 4.49Å; L169-K422 HydrophobicContact CD1-CG 3.79Å; L169-K422 HydrophobicContact CD2-CB 4.42Å; L169-K422 HydrophobicContact CD2-CG 3.85Å; L169-K422 HydrophobicContact CG-CG 4.41Å; L169-Q425 HydrophobicContact CB-CG 4.14Å; L169-Q425 VanDerWaalsContact O-CG 3.23Å; L169-Q425 WeakPolarHBondContact O-CG 3.46Å; L169-K429 PolarHBondContact O-NZ 2.83Å
170	G	94.4	Very high	95.7	Very high	44 Å²	44	47.2 Å²	47.2	45%	0.454	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	30.4	-178.1	0	0	0	0	0	112.9	F166 K167 T168	F166-G170 PolarHBondContact O-N 3.14Å; K167-G170 WeakPolarHBondContact O-CA 3.39Å; K167-G170 PolarHBondContact O-N 3.34Å; T168-G170 PolarHBondContact O-N 3.26Å
171	M	94.6	Very high	95.4	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.064	24%	0.239	C	C	.	.			trans	-79.5	172.3	164	-59.5	179	177.3	0	0	109.7	F166 L169 P173 I384 A421 Q425 F441	F166-M171 HydrophobicContact CB-CB 4.42Å; F166-M171 HydrophobicContact CB-SD 4.2Å; F166-M171 HydrophobicContact CD1-SD 3.88Å; F166-M171 HydrophobicContact CG-SD 4.21Å; F166-M171 WeakPolarHBondContact O-CB 3.39Å; F166-M171 PolarHBondContact O-N 2.89Å; F166-M171 VanDerWaalsContact O-N 3.11Å; L169-M171 VanDerWaalsContact C-N 3.34Å; L169-M171 HydrophobicContact CB-CE 4.45Å; L169-M171 HydrophobicContact CB-CG 4.33Å; L169-M171 HydrophobicContact CD1-CE 4.18Å; M171-P173 VanDerWaalsContact C-CD 3.45Å; M171-P173 WeakPolarHBondContact O-CD 3.25Å; M171-I384 HydrophobicContact CE-CD1 3.87Å; M171-I384 HydrophobicContact CE-CG1 3.83Å; M171-A421 HydrophobicContact CE-CB 3.83Å; M171-A421 VanDerWaalsContact CE-O 3.31Å; M171-A421 WeakPolarHBondContact CE-O 3.43Å; M171-Q425 HydrophobicContact CE-CB 3.72Å; M171-Q425 HydrophobicContact CE-CG 4.2Å; M171-F441 HydrophobicContact CE-CD2 4.39Å; M171-F441 HydrophobicContact CE-CE2 4.18Å
172	T	90.8	Very high	95.2	Very high	68 Å²	68	41.2 Å²	41.2	42%	0.417	22%	0.223	S	C	.	.			trans	-102.8	86.4	167	52.3	0	0	0	0	109.1	M12	M12-T172 WeakPolarHBondContact CE-OG1 3.32Å
173	P	96.2	Very high	95	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.143	22%	0.224	C	C	.	.			trans	-79.2	155	178.3	33.5	-36	0	0	0	112.2	F163 F166 K167 M171 F381	F163-P173 HydrophobicContact CD1-CG 4.47Å; F163-P173 HydrophobicContact CD2-CB 3.87Å; F163-P173 HydrophobicContact CD2-CG 4.17Å; F163-P173 HydrophobicContact CE1-CG 4.16Å; F163-P173 HydrophobicContact CE2-CB 3.82Å; F163-P173 HydrophobicContact CE2-CG 3.85Å; F163-P173 HydrophobicContact CG-CB 4.43Å; F163-P173 HydrophobicContact CG-CG 4.46Å; F163-P173 HydrophobicContact CZ-CB 4.33Å; F163-P173 HydrophobicContact CZ-CG 3.84Å; F166-P173 HydrophobicContact CB-CB 3.84Å; F166-P173 HydrophobicContact CB-CG 4.22Å; F166-P173 HydrophobicContact CD2-CB 4.36Å; K167-P173 HydrophobicContact CB-CG 4.08Å; M171-P173 VanDerWaalsContact C-CD 3.45Å; M171-P173 WeakPolarHBondContact O-CD 3.25Å; P173-F381 WeakPolarHBondContact CA-O 3.32Å; P173-F381 WeakPolarHBondContact CB-O 3.25Å
174	W	96.6	Very high	94.8	Very high	20 Å²	20	41.2 Å²	41.2	8%	0.076	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	163.3	167.3	74.8	98.6	0	0	0	109.8	M12 F381 V383 I440	M12-W174 HydrophobicContact CE-CE3 3.93Å; M12-W174 HydrophobicContact CE-CZ3 3.62Å; M12-W174 HydrophobicContact SD-CE3 3.99Å; M12-W174 HydrophobicContact SD-CH2 3.9Å; M12-W174 HydrophobicContact SD-CZ3 3.47Å; M12-W174 WeakPolarHBondContact SD-CZ3 3.46Å; W174-F381 HydrophobicContact CD2-CB 3.6Å; W174-F381 HydrophobicContact CD2-CD2 4.32Å; W174-F381 HydrophobicContact CD2-CG 4.22Å; W174-F381 AromaticContact CE2-CD2 3.57Å; W174-F381 AromaticContact CE2-CG 3.5Å; W174-F381 VanDerWaalsContact CE2-CG 3.5Å; W174-F381 HydrophobicContact CE3-CB 3.69Å; W174-F381 HydrophobicContact CG-CB 4.4Å; W174-F381 HydrophobicContact CH2-CB 3.38Å; W174-F381 HydrophobicContact CH2-CD1 4.21Å; W174-F381 AromaticContact CH2-CG 3.92Å; W174-F381 HydrophobicContact CH2-CG 3.92Å; W174-F381 HydrophobicContact CZ2-CB 3.26Å; W174-F381 AromaticContact CZ2-CD1 3.72Å; W174-F381 HydrophobicContact CZ2-CD1 3.72Å; W174-F381 AromaticContact CZ2-CD2 3.84Å; W174-F381 HydrophobicContact CZ2-CD2 3.84Å; W174-F381 HydrophobicContact CZ2-CE1 4.49Å; W174-F381 AromaticContact CZ2-CG 3.33Å; W174-F381 HydrophobicContact CZ2-CG 3.33Å; W174-F381 HydrophobicContact CZ3-CB 3.59Å; W174-F381 PolarHBondContact N-O 2.6Å; W174-F381 AromaticContact NE1-CD2 3.36Å; W174-F381 AromaticContact NE1-CE2 3.96Å; W174-F381 AromaticContact NE1-CG 3.82Å; W174-F381 PolarHBondContact O-N 2.85Å; W174-V383 HydrophobicContact CH2-CG2 3.47Å; W174-V383 VanDerWaalsContact CH2-CG2 3.47Å; W174-V383 HydrophobicContact CZ3-CB 4.21Å; W174-V383 HydrophobicContact CZ3-CG2 3.3Å; W174-I440 HydrophobicContact CH2-CD1 4.48Å; W174-I440 HydrophobicContact CH2-CG2 4.25Å
175	T	96.2	Very high	94.5	Very high	30 Å²	30	39.4 Å²	39.4	18%	0.184	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.5	174.7	-56.1	0	0	0	0	108.5	I177 H378 N379	T175-I177 HydrophobicContact CG2-CG1 3.9Å; T175-H378 HydrophobicContact CG2-CB 3.92Å; T175-N379 CarbonylContact C-O 3.54Å; T175-N379 VanDerWaalsContact CA-O 3.32Å; T175-N379 WeakPolarHBondContact CA-O 3.22Å; T175-N379 WeakPolarHBondContact CG2-O 3.38Å
176	D	94.1	Very high	94.3	Very high	19 Å²	19	39.5 Å²	39.5	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.3	172.8	-178.4	40.6	0	0	0	107.9	H178 N379 F381	D176-H178 VanDerWaalsContact CG-NE2 3.27Å; D176-H178 IonicContact OD1-CE1 3.73Å; D176-H178 IonicContact OD1-NE2 2.71Å; D176-H178 PolarHBondContact OD1-NE2 2.74Å; D176-H178 IonicContact OD2-CD2 3.04Å; D176-H178 IonicContact OD2-CE1 3.7Å; D176-H178 IonicContact OD2-NE2 3.58Å; D176-H178 PolarHBondContact OD2-NE2 3.42Å; D176-N379 HydrophobicContact CB-CB 4.2Å; D176-N379 PolarHBondContact N-O 3.07Å; D176-N379 PolarHBondContact O-N 3.33Å; D176-F381 HydrophobicContact CB-CD2 4.33Å; D176-F381 HydrophobicContact CB-CE2 3.66Å
177	I	93.7	Very high	94	Very high	58 Å²	58	45.1 Å²	45.1	30%	0.297	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.5	-168.6	-57.8	174.9	0	0	0	108.7	T175 Y179 E376 I377	T175-I177 HydrophobicContact CG2-CG1 3.9Å; I177-Y179 HydrophobicContact CG2-CE2 4.27Å; I177-E376 HydrophobicContact CG2-CG 3.57Å; I177-I377 WeakPolarHBondContact CA-O 3.32Å
178	H	92.1	Very high	93.7	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.7	177.4	-65.1	-72.2	0	0	0	110.8	D176 V180 E376 I377 E456	D176-H178 VanDerWaalsContact CG-NE2 3.27Å; D176-H178 IonicContact OD1-CE1 3.73Å; D176-H178 IonicContact OD1-NE2 2.71Å; D176-H178 PolarHBondContact OD1-NE2 2.74Å; D176-H178 IonicContact OD2-CD2 3.04Å; D176-H178 IonicContact OD2-CE1 3.7Å; D176-H178 IonicContact OD2-NE2 3.58Å; D176-H178 PolarHBondContact OD2-NE2 3.42Å; H178-V180 HydrophobicContact CB-CG1 4.08Å; H178-E376 WeakPolarHBondContact O-CA 3.43Å; H178-I377 HydrophobicContact CB-CD1 4.12Å; H178-I377 HydrophobicContact CB-CG1 3.74Å; H178-I377 PolarHBondContact N-O 3.01Å; H178-I377 VanDerWaalsContact N-O 3.07Å; H178-I377 PolarHBondContact O-N 3.16Å; H178-E456 HydrophobicContact CB-CG 4.43Å
179	Y	91.4	Very high	93.6	Very high	89 Å²	89	44.6 Å²	44.6	35%	0.349	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	105.3	175.8	-64.3	-91.5	0	0	0	107.7	I177 S302 H305 K375 E376	I177-Y179 HydrophobicContact CG2-CE2 4.27Å; Y179-S302 VanDerWaalsContact O-CB 3.31Å; Y179-S302 WeakPolarHBondContact O-CB 3.41Å; Y179-H305 PolarHBondContact O-CE1 2.88Å; Y179-H305 PolarHBondContact O-NE2 2.82Å; Y179-H305 VanDerWaalsContact O-NE2 3.13Å; Y179-K375 WeakPolarHBondContact CA-O 3.37Å; Y179-E376 HydrophobicContact CD1-CB 4.16Å; Y179-E376 HydrophobicContact CD1-CG 4.23Å; Y179-E376 HydrophobicContact CE1-CB 4.1Å; Y179-E376 HydrophobicContact CE1-CG 3.86Å; Y179-E376 WeakPolarHBondContact CE1-OE2 3.31Å
180	V	91.7	Very high	93.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.6	-167	-63.8	0	0	0	0	111.9	H178 L182 D294 S302 N374 K375 I377 V452 E456	H178-V180 HydrophobicContact CB-CG1 4.08Å; V180-L182 HydrophobicContact CB-CD2 4.45Å; V180-L182 HydrophobicContact CG2-CD1 4.46Å; V180-L182 HydrophobicContact CG2-CD2 3.84Å; V180-L182 HydrophobicContact CG2-CG 3.96Å; V180-D294 VanDerWaalsContact CA-OD2 3.23Å; V180-D294 WeakPolarHBondContact CA-OD2 3.28Å; V180-D294 HydrophobicContact CB-CB 4.47Å; V180-D294 WeakPolarHBondContact CB-OD2 3.44Å; V180-D294 HydrophobicContact CG1-CB 4.27Å; V180-S302 VanDerWaalsContact CG1-OG 3.27Å; V180-S302 WeakPolarHBondContact CG1-OG 3.31Å; V180-N374 WeakPolarHBondContact O-CA 3.29Å; V180-K375 HydrophobicContact CG2-CB 4.4Å; V180-K375 PolarHBondContact N-O 3.4Å; V180-K375 PolarHBondContact O-N 2.88Å; V180-I377 HydrophobicContact CG1-CD1 3.94Å; V180-I377 HydrophobicContact CG1-CG1 4.29Å; V180-I377 HydrophobicContact CG2-CD1 4.02Å; V180-I377 HydrophobicContact CG2-CG1 4.1Å; V180-I377 HydrophobicContact CG2-CG2 3.74Å; V180-V452 HydrophobicContact CB-CG1 4.07Å; V180-V452 HydrophobicContact CG1-CG1 3.6Å; V180-V452 HydrophobicContact CG2-CG1 4.33Å; V180-E456 HydrophobicContact CG1-CG 4.28Å
181	Q	90.4	Very high	93.6	Very high	28 Å²	28	43.8 Å²	43.8	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	100.5	174.2	-77.5	-175.1	3.5	0	0	111.7	D294 Y296 N374	Q181-D294 PolarHBondContact N-OD2 3.42Å; Q181-Y296 HydrophobicContact CB-CD2 3.67Å; Q181-Y296 HydrophobicContact CB-CE2 4.18Å; Q181-Y296 HydrophobicContact CB-CG 4.48Å; Q181-N374 WeakPolarHBondContact CG-OD1 3.27Å; Q181-N374 PolarHBondContact NE2-OD1 2.67Å
182	L	93.9	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.2	175.6	-54.3	-172.7	0	0	0	110.2	A150 V180 M184 V373 K375 A446 F449 V452	A150-L182 HydrophobicContact CB-CD1 3.78Å; V180-L182 HydrophobicContact CB-CD2 4.45Å; V180-L182 HydrophobicContact CG2-CD1 4.46Å; V180-L182 HydrophobicContact CG2-CD2 3.84Å; V180-L182 HydrophobicContact CG2-CG 3.96Å; L182-M184 HydrophobicContact CB-CE 4.01Å; L182-M184 HydrophobicContact CD1-CE 4.45Å; L182-V373 PolarHBondContact N-O 3.3Å; L182-V373 PolarHBondContact O-N 3.39Å; L182-K375 HydrophobicContact CB-CG 4.5Å; L182-K375 HydrophobicContact CD1-CB 4.08Å; L182-K375 HydrophobicContact CD1-CG 4.07Å; L182-K375 HydrophobicContact CG-CB 4.25Å; L182-K375 HydrophobicContact CG-CG 4.33Å; L182-A446 HydrophobicContact CD1-CB 4.31Å; L182-A446 HydrophobicContact CD2-CB 4.3Å; L182-F449 HydrophobicContact CB-CD1 4.11Å; L182-F449 HydrophobicContact CB-CE1 3.99Å; L182-F449 HydrophobicContact CB-CZ 4.32Å; L182-F449 HydrophobicContact CD1-CD2 3.95Å; L182-F449 HydrophobicContact CD1-CE2 3.94Å; L182-F449 HydrophobicContact CD1-CG 4.29Å; L182-F449 HydrophobicContact CD1-CZ 4.25Å; L182-F449 HydrophobicContact CD2-CB 3.88Å; L182-F449 HydrophobicContact CD2-CD1 4.05Å; L182-F449 HydrophobicContact CD2-CD2 4.25Å; L182-F449 HydrophobicContact CD2-CG 3.8Å; L182-F449 HydrophobicContact CG-CD1 4.47Å; L182-F449 HydrophobicContact CG-CG 4.44Å; L182-V452 HydrophobicContact CD2-CG2 4.35Å
183	Q	94.9	Very high	94.1	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.023	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129	177.7	-154.5	-162.5	52.9	0	0	111.6	Y205 Y208 S209 N370 V371 L372 F449	Q183-Y205 WeakPolarHBondContact O-CE2 3.4Å; Q183-Y208 HydrophobicContact CB-CD1 4.01Å; Q183-Y208 HydrophobicContact CB-CE1 4.41Å; Q183-S209 PolarHBondContact NE2-O 3.14Å; Q183-S209 PolarHBondContact OE1-O 3.38Å; Q183-N370 HydrophobicContact CG-CB 3.72Å; Q183-N370 VanDerWaalsContact OE1-CB 3.3Å; Q183-N370 PolarHBondContact OE1-ND2 3.42Å; Q183-V371 WeakPolarHBondContact CA-O 3.5Å; Q183-V371 WeakPolarHBondContact CG-O 3.25Å; Q183-L372 HydrophobicContact CB-CD2 3.95Å; Q183-L372 HydrophobicContact CG-CD2 3.99Å; Q183-F449 WeakPolarHBondContact O-CE1 3.47Å
184	M	94.1	Very high	94.2	Very high	44 Å²	44	43 Å²	43	22%	0.217	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.8	-179	-52.6	-173	-161.6	0	0	111	L182 N370 V371 V373 K375	L182-M184 HydrophobicContact CB-CE 4.01Å; L182-M184 HydrophobicContact CD1-CE 4.45Å; M184-N370 CarbonylContact O-C 3.56Å; M184-N370 VanDerWaalsContact O-CA 3.27Å; M184-N370 WeakPolarHBondContact O-CA 3.22Å; M184-V371 PolarHBondContact N-O 2.88Å; M184-V371 PolarHBondContact O-N 2.95Å; M184-V373 HydrophobicContact CE-CB 4.29Å; M184-V373 HydrophobicContact CG-CG2 4.43Å; M184-K375 HydrophobicContact CE-CD 4.3Å; M184-K375 VanDerWaalsContact CE-CE 3.47Å; M184-K375 HydrophobicContact CE-CG 3.87Å
185	P	92.8	Very high	94.1	Very high	50 Å²	50	42.3 Å²	42.3	33%	0.325	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.9	174.3	-22.7	34.8	0	0	0	112.2	S187 Y205	P185-S187 PolarHBondContact O-N 2.99Å; P185-Y205 HydrophobicContact CG-CD1 3.34Å; P185-Y205 HydrophobicContact CG-CD2 3.93Å; P185-Y205 HydrophobicContact CG-CE1 3.83Å; P185-Y205 HydrophobicContact CG-CE2 4.36Å; P185-Y205 HydrophobicContact CG-CG 3.4Å; P185-Y205 VanDerWaalsContact CG-CG 3.4Å
186	D	93.9	Very high	93.9	Very high	33 Å²	33	44.8 Å²	44.8	18%	0.176	25%	0.254	C	S	.	.			trans	-73.6	119.4	168.7	-177.8	0.9	0	0	0	110.5	Q188 N189 N369 V371	D186-Q188 PolarHBondContact O-N 2.93Å; D186-Q188 PolarHBondContact OD1-N 3.22Å; D186-N189 HydrophobicContact CB-CB 4.44Å; D186-N189 CarbonylContact O-C 3.5Å; D186-N189 PolarHBondContact O-N 2.84Å; D186-N189 WeakPolarHBondContact OD2-CB 3.42Å; D186-N189 PolarHBondContact OD2-ND2 3.38Å; D186-N369 WeakPolarHBondContact CB-O 3.23Å; D186-N369 PolarHBondContact N-O 3.25Å; D186-V371 HydrophobicContact CB-CG1 4.05Å; D186-V371 HydrophobicContact CB-CG2 4.42Å
187	S	90.1	Very high	93.7	Very high	117 Å²	117	49 Å²	49	82%	0.818	29%	0.285	S	S	*	.	S	Bend	trans	-62.5	-27.3	177	62.7	0	0	0	0	114.2	P185	P185-S187 PolarHBondContact O-N 2.99Å
188	Q	92.4	Very high	93.6	Very high	160 Å²	160	48 Å²	48	75%	0.748	28%	0.281	S	S	*	.	S	Bend	trans	-87.4	-34.1	-179.1	-62.5	-172.7	-2	0	0	111.9	D186	D186-Q188 PolarHBondContact O-N 2.93Å; D186-Q188 PolarHBondContact OD1-N 3.22Å
189	N	94	Very high	93.8	Very high	87 Å²	87	51.3 Å²	51.3	47%	0.465	30%	0.302	S	S	.	.	S	Bend	trans	-124	80.8	-178.4	-56.2	-67.6	0	0	0	109.6	D186 N369	D186-N189 HydrophobicContact CB-CB 4.44Å; D186-N189 CarbonylContact O-C 3.5Å; D186-N189 PolarHBondContact O-N 2.84Å; D186-N189 WeakPolarHBondContact OD2-CB 3.42Å; D186-N189 PolarHBondContact OD2-ND2 3.38Å; N189-N369 HydrophobicContact CB-CB 4.21Å; N189-N369 WeakPolarHBondContact O-CB 3.49Å; N189-N369 PolarHBondContact O-ND2 3.48Å
190	P	94.6	Very high	94.1	Very high	61 Å²	61	48 Å²	48	40%	0.396	29%	0.29	S	S	.	.			trans	-67	153.1	-176.9	27.8	-35.3	0	0	0	112.2	T192	P190-T192 PolarHBondContact O-OG1 2.85Å
191	N	97.6	Very high	94.3	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.027	32%	0.319	C	S	.	.			trans	-60.7	138.1	174	-59.4	-17.3	0	0	0	109.9	P202 Q322 E367 N369 N370	N191-P202 WeakPolarHBondContact O-CD 3.16Å; N191-Q322 PolarHBondContact ND2-OE1 2.87Å; N191-E367 CarbonylContact C-O 3.57Å; N191-E367 WeakPolarHBondContact CA-O 3.42Å; N191-N369 PolarHBondContact OD1-N 3.07Å; N191-N370 PolarHBondContact ND2-OD1 3.34Å; N191-N370 PolarHBondContact OD1-OD1 3.49Å
192	T	97.8	Very high	94.5	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.049	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.6	-174.8	-53.8	0	0	0	0	111.2	P190 Y194 V199 I200 K201 E367	P190-T192 PolarHBondContact O-OG1 2.85Å; T192-Y194 HydrophobicContact CG2-CD1 4.37Å; T192-Y194 HydrophobicContact CG2-CD2 4.09Å; T192-Y194 HydrophobicContact CG2-CE1 3.83Å; T192-Y194 HydrophobicContact CG2-CE2 3.51Å; T192-Y194 HydrophobicContact CG2-CG 4.48Å; T192-V199 HydrophobicContact CG2-CG1 3.58Å; T192-I200 WeakPolarHBondContact CA-O 3.4Å; T192-K201 HydrophobicContact CG2-CG 4.34Å; T192-E367 PolarHBondContact N-O 2.69Å; T192-E367 PolarHBondContact O-N 2.81Å
193	V	98	Very high	94.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.2	174.1	180	0	0	0	0	108.9	I200 L268 I324 I364 T365 V366	V193-I200 HydrophobicContact CB-CB 4.2Å; V193-I200 PolarHBondContact N-O 3.04Å; V193-I200 PolarHBondContact O-N 2.87Å; V193-L268 HydrophobicContact CG1-CD1 4.07Å; V193-L268 HydrophobicContact CG2-CD2 3.9Å; V193-I324 HydrophobicContact CG2-CG2 4.46Å; V193-I364 HydrophobicContact CG1-CD1 3.52Å; V193-I364 HydrophobicContact CG1-CG1 3.77Å; V193-T365 CarbonylContact C-O 3.34Å; V193-T365 WeakPolarHBondContact CA-O 3.34Å; V193-V366 HydrophobicContact CG1-CG2 4.47Å; V193-V366 HydrophobicContact CG2-CG1 4.41Å; V193-V366 HydrophobicContact CG2-CG2 4.5Å
194	Y	97.4	Very high	94.5	Very high	79 Å²	79	58.5 Å²	58.5	31%	0.31	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.7	-179.1	-53	-96.8	0	0	0	110.1	T192 V199 I364 T365	T192-Y194 HydrophobicContact CG2-CD1 4.37Å; T192-Y194 HydrophobicContact CG2-CD2 4.09Å; T192-Y194 HydrophobicContact CG2-CE1 3.83Å; T192-Y194 HydrophobicContact CG2-CE2 3.51Å; T192-Y194 HydrophobicContact CG2-CG 4.48Å; Y194-V199 HydrophobicContact CD1-CG1 4.14Å; Y194-V199 HydrophobicContact CD1-CG2 3.93Å; Y194-V199 HydrophobicContact CE1-CG1 3.98Å; Y194-V199 HydrophobicContact CE1-CG2 4.26Å; Y194-I364 VanDerWaalsContact O-CG1 3.31Å; Y194-I364 WeakPolarHBondContact O-CG1 3.26Å; Y194-T365 HydrophobicContact CD2-CG2 4.13Å; Y194-T365 PolarHBondContact N-O 3.05Å; Y194-T365 PolarHBondContact O-N 2.87Å
195	F	95.8	Very high	94.7	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.022	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	98.8	177.1	-167.1	-126.6	0	0	0	111.1	S197 D198 L218 L332 K335 Q362 N363 I364	F195-S197 PolarHBondContact O-N 3.27Å; F195-D198 PolarHBondContact N-O 3.09Å; F195-D198 WeakPolarHBondContact O-CB 3.28Å; F195-D198 PolarHBondContact O-N 2.74Å; F195-L218 HydrophobicContact CE1-CD2 4.35Å; F195-L218 HydrophobicContact CE2-CB 4.3Å; F195-L218 HydrophobicContact CE2-CD2 4Å; F195-L218 HydrophobicContact CZ-CD2 3.85Å; F195-L332 HydrophobicContact CB-CD2 3.63Å; F195-L332 HydrophobicContact CD1-CD2 3.43Å; F195-L332 VanDerWaalsContact CD1-CD2 3.43Å; F195-L332 HydrophobicContact CD2-CD2 4.45Å; F195-L332 HydrophobicContact CE1-CD2 4.11Å; F195-L332 HydrophobicContact CG-CD2 3.6Å; F195-K335 HydrophobicContact CD1-CB 4.41Å; F195-K335 HydrophobicContact CD1-CD 4.44Å; F195-K335 HydrophobicContact CE1-CB 3.57Å; F195-K335 HydrophobicContact CE1-CD 4.37Å; F195-K335 HydrophobicContact CZ-CB 4.37Å; F195-Q362 HydrophobicContact CE2-CB 3.77Å; F195-Q362 HydrophobicContact CZ-CB 3.87Å; F195-N363 VanDerWaalsContact CD2-O 3.23Å; F195-N363 WeakPolarHBondContact CD2-O 3.22Å; F195-N363 WeakPolarHBondContact CE2-O 3.49Å; F195-I364 HydrophobicContact CB-CD1 4.25Å; F195-I364 HydrophobicContact CB-CG1 4.11Å; F195-I364 HydrophobicContact CD2-CB 3.71Å; F195-I364 HydrophobicContact CD2-CD1 4.14Å; F195-I364 HydrophobicContact CD2-CG1 3.87Å; F195-I364 HydrophobicContact CE2-CB 4.23Å; F195-I364 HydrophobicContact CG-CD1 4.36Å; F195-I364 HydrophobicContact CG-CG1 4.34Å
196	G	90.6	Very high	94.9	Very high	81 Å²	81	54.9 Å²	54.9	84%	0.835	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-119	-169.1	0	0	0	0	0	111.1
197	S	89.8	Confident	95.1	Very high	108 Å²	108	53.3 Å²	53.3	76%	0.755	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.1	175.1	57.4	0	0	0	0	114.1	F195	F195-S197 PolarHBondContact O-N 3.27Å
198	D	93.1	Very high	95.4	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.203	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.4	-176.6	-54.7	-32.2	0	0	0	110.1	F195 T331 K335	F195-D198 PolarHBondContact N-O 3.09Å; F195-D198 WeakPolarHBondContact O-CB 3.28Å; F195-D198 PolarHBondContact O-N 2.74Å; D198-T331 VanDerWaalsContact OD2-CG2 3.31Å; D198-T331 WeakPolarHBondContact OD2-CG2 3.02Å; D198-K335 VanDerWaalsContact CG-NZ 3.28Å; D198-K335 IonicContact OD1-NZ 3.4Å; D198-K335 PolarHBondContact OD1-NZ 3.01Å; D198-K335 IonicContact OD2-NZ 3.19Å; D198-K335 PolarHBondContact OD2-NZ 3.17Å
199	V	96.3	Very high	95.6	Very high	80 Å²	80	40.3 Å²	40.3	49%	0.485	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.2	175.3	-174.3	0	0	0	0	108.2	T192 Y194 K201	T192-V199 HydrophobicContact CG2-CG1 3.58Å; Y194-V199 HydrophobicContact CD1-CG1 4.14Å; Y194-V199 HydrophobicContact CD1-CG2 3.93Å; Y194-V199 HydrophobicContact CE1-CG1 3.98Å; Y194-V199 HydrophobicContact CE1-CG2 4.26Å; V199-K201 HydrophobicContact CG1-CG 4.45Å
200	I	96.6	Very high	95.7	Very high	19 Å²	19	41 Å²	41	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	-179.7	-54.2	168.6	0	0	0	106.9	T192 V193 P202 S328 L332	T192-I200 WeakPolarHBondContact CA-O 3.4Å; V193-I200 HydrophobicContact CB-CB 4.2Å; V193-I200 PolarHBondContact N-O 3.04Å; V193-I200 PolarHBondContact O-N 2.87Å; I200-P202 HydrophobicContact CG2-CG 4.23Å; I200-P202 WeakPolarHBondContact O-CD 3.4Å; I200-S328 VanDerWaalsContact CG2-OG 3.31Å; I200-S328 WeakPolarHBondContact CG2-OG 3.48Å; I200-L332 HydrophobicContact CD1-CD1 4.48Å; I200-L332 HydrophobicContact CD1-CD2 4.03Å; I200-L332 HydrophobicContact CD1-CG 4.2Å
201	K	95.4	Very high	95.9	Very high	144 Å²	144	41.3 Å²	41.3	63%	0.626	24%	0.24	S	C	*	.			trans	-118.3	86	178.5	-66.8	-175.9	178.3	-175.2	0	109.1	T192 V199	T192-K201 HydrophobicContact CG2-CG 4.34Å; V199-K201 HydrophobicContact CG1-CG 4.45Å
202	P	95.1	Very high	95.8	Very high	15 Å²	15	42.5 Å²	42.5	10%	0.097	25%	0.254	C	S	.	.			trans	-64.8	139.3	-177.1	-19.8	33.6	0	0	0	111.4	N191 I200 Q322 T323 I324	N191-P202 WeakPolarHBondContact O-CD 3.16Å; I200-P202 HydrophobicContact CG2-CG 4.23Å; I200-P202 WeakPolarHBondContact O-CD 3.4Å; P202-Q322 HydrophobicContact CB-CG 4.47Å; P202-Q322 HydrophobicContact CG-CG 4.01Å; P202-T323 VanDerWaalsContact CB-O 3.29Å; P202-T323 WeakPolarHBondContact CB-O 3.28Å; P202-I324 HydrophobicContact CG-CG2 4.05Å
203	V	94.3	Very high	95.9	Very high	94 Å²	94	50.1 Å²	50.1	57%	0.57	28%	0.282	S	S	*	.	S	Bend	trans	-88.3	-36.2	170.1	-179.5	0	0	0	0	110.4	E283	V203-E283 HydrophobicContact CB-CG 4.05Å
204	G	95.3	Very high	95.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.			trans	-60.2	156.8	168.6	0	0	0	0	0	112	L284 Q322 T323	G204-L284 VanDerWaalsContact CA-O 3.32Å; G204-L284 WeakPolarHBondContact CA-O 3.32Å; G204-Q322 PolarHBondContact O-NE2 3.25Å; G204-T323 VanDerWaalsContact C-OG1 3.22Å
205	Y	97.1	Very high	95.9	Very high	18 Å²	18	53.9 Å²	53.9	7%	0.071	30%	0.304	C	S	.	.			trans	-152.4	165.1	176.1	73.8	-80.5	0	0	0	111.9	Q183 P185 A207 L284 Y285 G286 T323 W403	Q183-Y205 WeakPolarHBondContact O-CE2 3.4Å; P185-Y205 HydrophobicContact CG-CD1 3.34Å; P185-Y205 HydrophobicContact CG-CD2 3.93Å; P185-Y205 HydrophobicContact CG-CE1 3.83Å; P185-Y205 HydrophobicContact CG-CE2 4.36Å; P185-Y205 HydrophobicContact CG-CG 3.4Å; P185-Y205 VanDerWaalsContact CG-CG 3.4Å; Y205-A207 HydrophobicContact CE2-CB 4Å; Y205-L284 PolarHBondContact N-O 3.37Å; Y205-Y285 AromaticContact CD1-CD1 3.63Å; Y205-Y285 HydrophobicContact CD1-CD1 3.63Å; Y205-Y285 AromaticContact CD1-CE1 3.95Å; Y205-Y285 HydrophobicContact CD1-CE1 3.95Å; Y205-Y285 AromaticContact CE1-CD1 3.68Å; Y205-Y285 HydrophobicContact CE1-CD1 3.68Å; Y205-Y285 HydrophobicContact CE1-CE1 4.1Å; Y205-Y285 WeakPolarHBondContact O-CA 3.37Å; Y205-G286 PolarHBondContact O-N 3.34Å; Y205-T323 PolarHBondContact N-OG1 3.38Å; Y205-W403 AromaticContact CZ-NE1 3.76Å; Y205-W403 PolarHBondContact OH-NE1 2.92Å
206	L	97.7	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	110.9	172.6	-65.8	172.1	0	0	0	109.8	S209 F252 I269 G286 V288 A321 T323 N370	L206-S209 VanDerWaalsContact O-CB 3.27Å; L206-S209 WeakPolarHBondContact O-CB 3.27Å; L206-S209 PolarHBondContact O-N 3.13Å; L206-F252 HydrophobicContact CD2-CB 4.3Å; L206-F252 HydrophobicContact CD2-CD2 3.57Å; L206-F252 HydrophobicContact CD2-CE2 4.19Å; L206-F252 HydrophobicContact CD2-CG 4.13Å; L206-I269 HydrophobicContact CD1-CD1 3.74Å; L206-I269 HydrophobicContact CD1-CG1 4.32Å; L206-G286 CarbonylContact C-O 3.54Å; L206-G286 VanDerWaalsContact CA-O 3.31Å; L206-G286 WeakPolarHBondContact CA-O 3.39Å; L206-V288 HydrophobicContact CB-CG1 3.94Å; L206-V288 HydrophobicContact CB-CG2 4.24Å; L206-V288 HydrophobicContact CD1-CG1 3.8Å; L206-V288 HydrophobicContact CD2-CG1 4.22Å; L206-V288 HydrophobicContact CG-CG1 4.2Å; L206-A321 HydrophobicContact CD1-CB 3.76Å; L206-T323 HydrophobicContact CD1-CG2 4.03Å; L206-T323 HydrophobicContact CD2-CG2 3.49Å; L206-T323 VanDerWaalsContact CD2-CG2 3.49Å; L206-T323 HydrophobicContact CG-CG2 3.58Å; L206-N370 PolarHBondContact O-ND2 3.33Å
207	A	97.1	Very high	96.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	142.4	174.6	0	0	0	0	0	111.1	Y205 S209 G286 H287 V288 W403 F449	Y205-A207 HydrophobicContact CE2-CB 4Å; A207-S209 PolarHBondContact O-N 3.07Å; A207-G286 PolarHBondContact N-O 3.42Å; A207-H287 HydrophobicContact CB-CB 3.99Å; A207-H287 CarbonylContact O-C 3.55Å; A207-H287 WeakPolarHBondContact O-CA 3.42Å; A207-V288 VanDerWaalsContact O-CG2 3.23Å; A207-V288 WeakPolarHBondContact O-CG2 3.46Å; A207-V288 PolarHBondContact O-N 3.3Å; A207-W403 HydrophobicContact CB-CZ2 4.33Å; A207-F449 HydrophobicContact CB-CD1 3.78Å; A207-F449 HydrophobicContact CB-CE1 3.8Å
208	Y	96.6	Very high	96.7	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.016	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	12.8	-172.9	-44.2	-64.3	0	0	0	115.6	Q183 H287 H289 P295 Y296 L316 P317 F449	Q183-Y208 HydrophobicContact CB-CD1 4.01Å; Q183-Y208 HydrophobicContact CB-CE1 4.41Å; Y208-H287 HydrophobicContact CD2-CB 4.09Å; Y208-H287 HydrophobicContact CE2-CB 4.36Å; Y208-H289 HydrophobicContact CD2-CB 3.5Å; Y208-H289 HydrophobicContact CE2-CB 4.06Å; Y208-H289 HydrophobicContact CG-CB 4.12Å; Y208-P295 HydrophobicContact CD1-CG 3.66Å; Y208-P295 HydrophobicContact CE1-CG 3.43Å; Y208-P295 VanDerWaalsContact CE1-CG 3.43Å; Y208-P295 HydrophobicContact CE2-CG 4.4Å; Y208-P295 HydrophobicContact CG-CG 4.24Å; Y208-Y296 HydrophobicContact CD1-CE2 4.48Å; Y208-Y296 HydrophobicContact CE1-CE2 4.5Å; Y208-L316 HydrophobicContact CD1-CD2 4.47Å; Y208-L316 HydrophobicContact CG-CD2 4.29Å; Y208-P317 WeakPolarHBondContact O-CD 3.42Å; Y208-P317 WeakPolarHBondContact O-CG 2.84Å; Y208-F449 HydrophobicContact CE2-CB 4.22Å; Y208-F449 HydrophobicContact CE2-CD1 4.4Å; Y208-F449 VanDerWaalsContact CE2-O 3.29Å; Y208-F449 WeakPolarHBondContact CE2-O 3.24Å; Y208-F449 WeakPolarHBondContact OH-CB 3.47Å; Y208-F449 PolarHBondContact OH-O 3.05Å
209	S	97.6	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.9	139.4	168.6	172.4	0	0	0	0	110.4	Q183 L206 A207 P211 A321	Q183-S209 PolarHBondContact NE2-O 3.14Å; Q183-S209 PolarHBondContact OE1-O 3.38Å; L206-S209 VanDerWaalsContact O-CB 3.27Å; L206-S209 WeakPolarHBondContact O-CB 3.27Å; L206-S209 PolarHBondContact O-N 3.13Å; A207-S209 PolarHBondContact O-N 3.07Å; S209-P211 VanDerWaalsContact O-CD 3.28Å; S209-P211 WeakPolarHBondContact O-CD 3.42Å; S209-A321 VanDerWaalsContact CB-O 3.28Å; S209-A321 WeakPolarHBondContact CB-O 3.48Å; S209-A321 PolarHBondContact OG-N 2.81Å; S209-A321 PolarHBondContact OG-O 3.03Å
210	K	97	Very high	96.9	Very high	103 Å²	103	42.7 Å²	42.7	45%	0.448	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-62.4	123.9	173.9	-174.9	178.5	179.6	-176.1	0	110.1	K318 P320	K210-K318 VanDerWaalsContact CD-C 3.46Å; K210-K318 WeakPolarHBondContact CD-O 3.49Å; K210-K318 PolarHBondContact NZ-O 3.39Å; K210-K318 VanDerWaalsContact NZ-O 3.08Å; K210-P320 WeakPolarHBondContact O-CA 3.19Å; K210-P320 WeakPolarHBondContact O-CB 3.35Å
211	P	96.9	Very high	96.9	Very high	67 Å²	67	41.8 Å²	41.8	44%	0.435	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-68	146.2	172.3	-19.5	34	0	0	0	111.1	S209 V368 N370	S209-P211 VanDerWaalsContact O-CD 3.28Å; S209-P211 WeakPolarHBondContact O-CD 3.42Å; P211-V368 CarbonylContact C-O 3.32Å; P211-V368 VanDerWaalsContact CA-O 3.23Å; P211-V368 WeakPolarHBondContact CA-O 3.39Å; P211-N370 VanDerWaalsContact CG-O 3.26Å; P211-N370 WeakPolarHBondContact CG-O 3.45Å
212	G	97.3	Very high	96.9	Very high	30 Å²	30	35 Å²	35	31%	0.309	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	148.4	165	177.3	0	0	0	0	0	113.2	V368	G212-V368 PolarHBondContact N-O 3.44Å; G212-V368 PolarHBondContact O-N 3.48Å
213	R	97.9	Very high	97	Very high	168 Å²	168	34.5 Å²	34.5	63%	0.634	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.7	175.3	-173.7	173.6	177.3	-155	-2.7	109.7	T365 V366 E367	R213-T365 HydrophobicContact CG-CG2 3.79Å; R213-V366 WeakPolarHBondContact CA-O 3.35Å; R213-E367 HydrophobicContact CB-CB 4.39Å; R213-E367 HydrophobicContact CB-CG 4.15Å; R213-E367 HydrophobicContact CG-CB 4.18Å; R213-E367 HydrophobicContact CG-CG 4.3Å
214	V	98	Very high	97.1	Very high	36 Å²	36	30 Å²	30	22%	0.218	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.6	178.9	-61.3	0	0	0	0	110.6	A266 P320 T365 V366	V214-A266 HydrophobicContact CG2-CB 3.46Å; V214-A266 VanDerWaalsContact CG2-CB 3.46Å; V214-P320 HydrophobicContact CG1-CG 4.1Å; V214-P320 HydrophobicContact CG2-CG 4.17Å; V214-T365 CarbonylContact O-C 3.6Å; V214-T365 VanDerWaalsContact O-CA 3.31Å; V214-T365 WeakPolarHBondContact O-CA 3.49Å; V214-V366 HydrophobicContact CG2-CB 4.3Å; V214-V366 PolarHBondContact N-O 3.4Å; V214-V366 PolarHBondContact O-N 2.95Å
215	E	97.9	Very high	97.1	Very high	121 Å²	121	31.8 Å²	31.8	57%	0.565	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.2	172.4	-171.8	-174.9	166.4	0	0	108.9	N363 I364	E215-N363 HydrophobicContact CG-CB 4.12Å; E215-N363 WeakPolarHBondContact OE1-CB 3.34Å; E215-N363 PolarHBondContact OE1-ND2 3.07Å; E215-I364 WeakPolarHBondContact CA-O 3.45Å
216	G	97.4	Very high	96.9	Very high	7 Å²	7	34.5 Å²	34.5	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	170.8	176.7	0	0	0	0	0	112.1	L218 G240 N363 I364	G216-L218 PolarHBondContact O-N 3.09Å; G216-G240 WeakPolarHBondContact CA-O 3.36Å; G216-N363 CarbonylContact O-C 3.55Å; G216-N363 VanDerWaalsContact O-CA 3.29Å; G216-N363 WeakPolarHBondContact O-CA 3.4Å; G216-I364 PolarHBondContact N-O 3.34Å; G216-I364 PolarHBondContact O-N 3.38Å
217	R	97.3	Very high	96.7	Very high	70 Å²	70	40.4 Å²	40.4	26%	0.264	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.6	176.6	-64.8	170.6	-68.7	152.9	-2.9	109.6	V219 D237 K239 A241 V242 G360 Q362	R217-V219 PolarHBondContact O-N 3.39Å; R217-D237 IonicContact CZ-OD2 2.75Å; R217-D237 PolarHBondContact NH2-O 3.25Å; R217-D237 IonicContact NH2-OD2 3.86Å; R217-D237 PolarHBondContact NH2-OD2 3.14Å; R217-K239 PolarHBondContact NH2-O 3.47Å; R217-A241 CarbonylContact O-C 3.58Å; R217-A241 WeakPolarHBondContact O-CA 3.31Å; R217-A241 WeakPolarHBondContact O-CB 3.25Å; R217-V242 PolarHBondContact O-N 2.98Å; R217-G360 WeakPolarHBondContact CD-O 3.36Å; R217-Q362 CarbonylContact C-O 3.55Å; R217-Q362 WeakPolarHBondContact CA-O 3.3Å
218	L	98	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	123.1	175.7	-178.7	64.3	0	0	0	109.8	F195 G216 V242 L244 L332 I336 G360 Q362 I364	F195-L218 HydrophobicContact CE1-CD2 4.35Å; F195-L218 HydrophobicContact CE2-CB 4.3Å; F195-L218 HydrophobicContact CE2-CD2 4Å; F195-L218 HydrophobicContact CZ-CD2 3.85Å; G216-L218 PolarHBondContact O-N 3.09Å; L218-V242 WeakPolarHBondContact CA-O 3.34Å; L218-L244 HydrophobicContact CD1-CB 3.95Å; L218-L332 HydrophobicContact CD2-CB 4Å; L218-L332 HydrophobicContact CD2-CD2 4.46Å; L218-I336 HydrophobicContact CB-CD1 4.44Å; L218-I336 HydrophobicContact CB-CG1 4.19Å; L218-I336 HydrophobicContact CD2-CB 4.24Å; L218-I336 HydrophobicContact CD2-CD1 3.89Å; L218-I336 HydrophobicContact CD2-CG1 3.7Å; L218-I336 HydrophobicContact CG-CD1 3.65Å; L218-I336 HydrophobicContact CG-CG1 3.77Å; L218-G360 PolarHBondContact O-N 2.86Å; L218-Q362 PolarHBondContact N-O 3.21Å; L218-I364 HydrophobicContact CB-CB 4.23Å; L218-I364 HydrophobicContact CB-CG2 3.88Å; L218-I364 HydrophobicContact CD1-CD1 4.08Å; L218-I364 HydrophobicContact CD1-CG2 4.08Å; L218-I364 HydrophobicContact CD2-CD1 4.26Å; L218-I364 HydrophobicContact CG-CG2 4.5Å
219	V	97.8	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.5	-179.9	177.6	0	0	0	0	110.2	R217 V232 V236 L238 A241 V242 L243 L244 L358	R217-V219 PolarHBondContact O-N 3.39Å; V219-V232 HydrophobicContact CG1-CG1 3.61Å; V219-V236 HydrophobicContact CG1-CG1 4.31Å; V219-V236 HydrophobicContact CG2-CG1 3.81Å; V219-L238 HydrophobicContact CB-CD2 4.46Å; V219-L238 HydrophobicContact CG1-CD2 3.69Å; V219-A241 HydrophobicContact CB-CB 4.35Å; V219-A241 HydrophobicContact CG2-CB 3.79Å; V219-V242 PolarHBondContact N-O 2.88Å; V219-L243 HydrophobicContact CB-CD2 3.92Å; V219-L243 HydrophobicContact CG1-CD2 4.23Å; V219-L243 CarbonylContact O-C 3.48Å; V219-L243 WeakPolarHBondContact O-CA 3.23Å; V219-L244 PolarHBondContact O-N 2.77Å; V219-L358 CarbonylContact C-O 3.55Å; V219-L358 VanDerWaalsContact CA-O 3.28Å; V219-L358 WeakPolarHBondContact CA-O 3.35Å; V219-L358 WeakPolarHBondContact CG1-O 3Å
220	Y	97.4	Very high	96.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.1	176.6	175.3	-116	0	0	0	111	L244 R246 Y270 L333 F347 Y356 K357 L358	Y220-L244 HydrophobicContact CD2-CG 4.47Å; Y220-L244 VanDerWaalsContact CD2-O 3.32Å; Y220-L244 WeakPolarHBondContact CD2-O 3.41Å; Y220-R246 HydrophobicContact CE2-CG 4.15Å; Y220-R246 VanDerWaalsContact OH-CD 3.31Å; Y220-R246 WeakPolarHBondContact OH-CD 3.43Å; Y220-R246 PolarHBondContact OH-NE 3.45Å; Y220-R246 VanDerWaalsContact OH-NE 3.16Å; Y220-Y270 HydrophobicContact CE2-CE1 4.46Å; Y220-L333 HydrophobicContact CD2-CD2 4.12Å; Y220-L333 HydrophobicContact CG-CD2 4.2Å; Y220-F347 HydrophobicContact CD1-CD1 4.32Å; Y220-F347 HydrophobicContact CE1-CB 4.32Å; Y220-F347 HydrophobicContact CE1-CD1 4.03Å; Y220-F347 VanDerWaalsContact CE1-O 3.22Å; Y220-F347 WeakPolarHBondContact CE1-O 3.08Å; Y220-F347 PolarHBondContact OH-O 3.04Å; Y220-Y356 HydrophobicContact CD1-CD1 4.37Å; Y220-Y356 AromaticContact CE1-CD1 3.71Å; Y220-Y356 HydrophobicContact CE1-CD1 3.71Å; Y220-Y356 HydrophobicContact CE2-CD1 4.27Å; Y220-Y356 HydrophobicContact CE2-CE1 4.43Å; Y220-Y356 AromaticContact CZ-CD1 3.64Å; Y220-Y356 AromaticContact CZ-CE1 4Å; Y220-K357 WeakPolarHBondContact CB-O 3.21Å; Y220-L358 HydrophobicContact CD1-CD2 4.45Å; Y220-L358 PolarHBondContact N-O 3.22Å
221	G	95.9	Very high	96.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.01	21%	0.209	C	C	.	.			trans	-112.1	17.3	-171.1	0	0	0	0	0	115.3	Y223 G224 L244	G221-Y223 PolarHBondContact O-N 3.02Å; G221-G224 PolarHBondContact O-N 2.98Å; G221-L244 PolarHBondContact N-O 2.84Å
222	N	95.9	Very high	96.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-129.6	-176.5	-168.3	4.5	0	0	0	112.3	G224 R225 D228 L245 R246 D346 F347	N222-G224 VanDerWaalsContact C-N 3.27Å; N222-G224 PolarHBondContact O-N 3.45Å; N222-R225 PolarHBondContact ND2-NH2 3.26Å; N222-D228 HydrophobicContact CB-CB 4.1Å; N222-D228 PolarHBondContact ND2-OD1 3.29Å; N222-L245 CarbonylContact O-C 3.56Å; N222-L245 WeakPolarHBondContact O-CA 3.33Å; N222-R246 PolarHBondContact O-N 2.95Å; N222-R246 PolarHBondContact OD1-NE 3.26Å; N222-R246 PolarHBondContact OD1-NH2 3.17Å; N222-D346 PolarHBondContact ND2-O 3.36Å; N222-D346 PolarHBondContact OD1-O 3.13Å; N222-F347 HydrophobicContact CB-CD1 3.58Å; N222-F347 HydrophobicContact CB-CD2 4.11Å; N222-F347 HydrophobicContact CB-CE1 3.48Å; N222-F347 VanDerWaalsContact CB-CE1 3.48Å; N222-F347 HydrophobicContact CB-CE2 4.03Å; N222-F347 HydrophobicContact CB-CG 3.87Å; N222-F347 HydrophobicContact CB-CZ 3.71Å; N222-F347 VanDerWaalsContact ND2-CD2 3.35Å; N222-F347 WeakPolarHBondContact ND2-CD2 3.41Å
223	Y	95.9	Very high	96	Very high	5 Å²	5	42.2 Å²	42.2	2%	0.02	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.5	178.5	-61.5	-79.7	0	0	0	112.7	G221 R225 D228 R246 K249 Q255 D275	G221-Y223 PolarHBondContact O-N 3.02Å; Y223-R225 PolarHBondContact O-N 3.33Å; Y223-D228 PolarHBondContact N-OD2 3.38Å; Y223-R246 HydrophobicContact CD1-CB 3.74Å; Y223-R246 HydrophobicContact CE1-CB 3.86Å; Y223-R246 HydrophobicContact CG-CB 4.47Å; Y223-K249 HydrophobicContact CD1-CB 4.43Å; Y223-K249 HydrophobicContact CD1-CG 3.63Å; Y223-K249 HydrophobicContact CD2-CG 3.82Å; Y223-K249 HydrophobicContact CE1-CD 4.42Å; Y223-K249 HydrophobicContact CE1-CG 3.8Å; Y223-K249 HydrophobicContact CE2-CG 3.98Å; Y223-K249 HydrophobicContact CG-CB 4.32Å; Y223-K249 HydrophobicContact CG-CG 3.64Å; Y223-K249 WeakPolarHBondContact OH-CE 3.48Å; Y223-Q255 WeakPolarHBondContact O-CG 3.45Å; Y223-Q255 PolarHBondContact O-NE2 3.1Å; Y223-D275 VanDerWaalsContact CE1-OD2 3.32Å; Y223-D275 WeakPolarHBondContact CE1-OD2 3.4Å; Y223-D275 PolarHBondContact OH-OD1 2.76Å; Y223-D275 PolarHBondContact OH-OD2 2.79Å
224	G	96.4	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.			trans	66.3	19.4	-179.8	0	0	0	0	0	114.7	G221 N222 N258	G221-G224 PolarHBondContact O-N 2.98Å; N222-G224 VanDerWaalsContact C-N 3.27Å; N222-G224 PolarHBondContact O-N 3.45Å; G224-N258 PolarHBondContact O-ND2 3.42Å
225	R	95.6	Very high	95.5	Very high	38 Å²	38	40.1 Å²	40.1	14%	0.143	20%	0.202	C	C	.	.			trans	-67.2	151.8	171.4	-59.9	169	-64.2	-172.8	1.5	108.4	N222 Y223 K227 D228 L229 I250 D346	N222-R225 PolarHBondContact ND2-NH2 3.26Å; Y223-R225 PolarHBondContact O-N 3.33Å; R225-K227 VanDerWaalsContact C-N 3.25Å; R225-K227 HydrophobicContact CB-CG 4.08Å; R225-K227 VanDerWaalsContact NE-CE 3.3Å; R225-K227 VanDerWaalsContact NH1-NZ 3.18Å; R225-K227 PolarHBondContact O-N 3.23Å; R225-D228 HydrophobicContact CB-CB 4.47Å; R225-D228 WeakPolarHBondContact CB-OD2 3.42Å; R225-D228 IonicContact CZ-OD1 2.7Å; R225-D228 IonicContact CZ-OD2 3.94Å; R225-D228 PolarHBondContact N-OD2 2.72Å; R225-D228 IonicContact NE-OD1 3.46Å; R225-D228 PolarHBondContact NE-OD1 3.02Å; R225-D228 IonicContact NE-OD2 3.41Å; R225-D228 PolarHBondContact NE-OD2 3.23Å; R225-D228 VanDerWaalsContact NH2-CG 3.31Å; R225-D228 IonicContact NH2-OD1 2.76Å; R225-D228 PolarHBondContact NH2-OD1 3.42Å; R225-D228 IonicContact NH2-OD2 2.69Å; R225-D228 PolarHBondContact NH2-OD2 2.96Å; R225-D228 VanDerWaalsContact NH2-OD2 3.13Å; R225-D228 WeakPolarHBondContact O-CA 3.35Å; R225-D228 WeakPolarHBondContact O-CB 3.44Å; R225-D228 PolarHBondContact O-N 3.05Å; R225-L229 PolarHBondContact O-N 2.92Å; R225-I250 HydrophobicContact CG-CD1 4.14Å; R225-I250 HydrophobicContact CG-CG1 4.26Å; R225-I250 HydrophobicContact CG-CG2 4.27Å; R225-D346 IonicContact CZ-OD2 3.56Å; R225-D346 IonicContact NH1-OD2 2.61Å; R225-D346 PolarHBondContact NH1-OD2 2.8Å; R225-D346 VanDerWaalsContact NH1-OD2 3.07Å; R225-D346 IonicContact NH2-OD2 3.89Å; R225-D346 PolarHBondContact NH2-OD2 2.94Å
226	Q	93.1	Very high	95.3	Very high	74 Å²	74	35 Å²	35	35%	0.346	18%	0.179	S	C	.	.	H	α-helix	trans	-51.7	-46.5	179.2	-170	60.1	51.1	0	0	112	D228 L229 D230 M262	Q226-D228 VanDerWaalsContact C-N 3.25Å; Q226-D228 PolarHBondContact O-N 2.87Å; Q226-L229 PolarHBondContact O-N 2.96Å; Q226-L229 VanDerWaalsContact O-N 3.17Å; Q226-D230 PolarHBondContact NE2-OD1 2.99Å; Q226-D230 PolarHBondContact O-N 3.48Å; Q226-M262 PolarHBondContact NE2-SD 2.81Å
227	K	93.8	Very high	95.2	Very high	124 Å²	124	37.9 Å²	37.9	54%	0.539	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-31.8	175.2	68.7	174.4	-172.1	169.3	0	114.5	R225 F231	R225-K227 VanDerWaalsContact C-N 3.25Å; R225-K227 HydrophobicContact CB-CG 4.08Å; R225-K227 VanDerWaalsContact NE-CE 3.3Å; R225-K227 VanDerWaalsContact NH1-NZ 3.18Å; R225-K227 PolarHBondContact O-N 3.23Å; K227-F231 WeakPolarHBondContact O-CB 3.04Å; K227-F231 PolarHBondContact O-N 3.45Å
228	D	95.4	Very high	95.1	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-73.2	-47.1	178.9	-62.1	-27.3	0	0	0	109	N222 Y223 R225 Q226 F231 V232 F347	N222-D228 HydrophobicContact CB-CB 4.1Å; N222-D228 PolarHBondContact ND2-OD1 3.29Å; Y223-D228 PolarHBondContact N-OD2 3.38Å; R225-D228 HydrophobicContact CB-CB 4.47Å; R225-D228 WeakPolarHBondContact CB-OD2 3.42Å; R225-D228 IonicContact CZ-OD1 2.7Å; R225-D228 IonicContact CZ-OD2 3.94Å; R225-D228 PolarHBondContact N-OD2 2.72Å; R225-D228 IonicContact NE-OD1 3.46Å; R225-D228 PolarHBondContact NE-OD1 3.02Å; R225-D228 IonicContact NE-OD2 3.41Å; R225-D228 PolarHBondContact NE-OD2 3.23Å; R225-D228 VanDerWaalsContact NH2-CG 3.31Å; R225-D228 IonicContact NH2-OD1 2.76Å; R225-D228 PolarHBondContact NH2-OD1 3.42Å; R225-D228 IonicContact NH2-OD2 2.69Å; R225-D228 PolarHBondContact NH2-OD2 2.96Å; R225-D228 VanDerWaalsContact NH2-OD2 3.13Å; R225-D228 WeakPolarHBondContact O-CA 3.35Å; R225-D228 WeakPolarHBondContact O-CB 3.44Å; R225-D228 PolarHBondContact O-N 3.05Å; Q226-D228 VanDerWaalsContact C-N 3.25Å; Q226-D228 PolarHBondContact O-N 2.87Å; D228-F231 WeakPolarHBondContact O-CB 3.22Å; D228-F231 PolarHBondContact O-N 3.21Å; D228-V232 WeakPolarHBondContact O-CG2 3.33Å; D228-V232 PolarHBondContact O-N 3.4Å; D228-F347 HydrophobicContact CB-CE2 4.3Å; D228-F347 HydrophobicContact CB-CZ 3.82Å
229	L	96.3	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-38.3	-179.8	-57.5	-174.8	0	0	0	111.8	R225 Q226 F231 V232 Q233 L238 L243 N258 M262	R225-L229 PolarHBondContact O-N 2.92Å; Q226-L229 PolarHBondContact O-N 2.96Å; Q226-L229 VanDerWaalsContact O-N 3.17Å; L229-F231 VanDerWaalsContact C-N 3.32Å; L229-F231 PolarHBondContact O-N 3.45Å; L229-V232 PolarHBondContact O-N 2.9Å; L229-Q233 VanDerWaalsContact O-CB 3.3Å; L229-Q233 WeakPolarHBondContact O-CB 3.24Å; L229-Q233 PolarHBondContact O-N 3.38Å; L229-L238 HydrophobicContact CB-CD1 4.07Å; L229-L238 HydrophobicContact CD2-CD1 4.45Å; L229-L243 HydrophobicContact CD2-CD1 3.77Å; L229-N258 HydrophobicContact CD1-CB 3.74Å; L229-M262 HydrophobicContact CB-CE 4.23Å; L229-M262 HydrophobicContact CB-CG 3.91Å; L229-M262 HydrophobicContact CB-SD 4.48Å; L229-M262 HydrophobicContact CD1-CG 3.71Å; L229-M262 HydrophobicContact CG-CG 4.45Å
230	D	94.3	Very high	95.1	Very high	85 Å²	85	43.5 Å²	43.5	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-41.8	174.6	-63.6	-22.9	0	0	0	111.3	Q226 G234	Q226-D230 PolarHBondContact NE2-OD1 2.99Å; Q226-D230 PolarHBondContact O-N 3.48Å; D230-G234 PolarHBondContact O-N 3.15Å
231	F	93.4	Very high	95.1	Very high	81 Å²	81	43.5 Å²	43.5	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-64	-43	175.3	175.3	-95.4	0	0	0	112.2	K227 D228 L229 G234 K235 F347	K227-F231 WeakPolarHBondContact O-CB 3.04Å; K227-F231 PolarHBondContact O-N 3.45Å; D228-F231 WeakPolarHBondContact O-CB 3.22Å; D228-F231 PolarHBondContact O-N 3.21Å; L229-F231 VanDerWaalsContact C-N 3.32Å; L229-F231 PolarHBondContact O-N 3.45Å; F231-G234 PolarHBondContact O-N 3.48Å; F231-K235 HydrophobicContact CE1-CD 4.23Å; F231-K235 HydrophobicContact CZ-CD 4.28Å; F231-F347 HydrophobicContact CB-CZ 4.46Å; F231-F347 HydrophobicContact CD1-CE1 4.13Å; F231-F347 AromaticContact CD1-CE2 3.83Å; F231-F347 HydrophobicContact CD1-CE2 3.83Å; F231-F347 AromaticContact CD1-CZ 3.6Å; F231-F347 HydrophobicContact CD1-CZ 3.6Å; F231-F347 HydrophobicContact CE1-CE2 4.26Å; F231-F347 HydrophobicContact CE1-CZ 4.26Å; F231-F347 HydrophobicContact CG-CE2 4.46Å; F231-F347 HydrophobicContact CG-CZ 4.4Å
232	V	94.4	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-42.3	179	-178.8	0	0	0	0	111.1	V219 D228 L229 G234 K235 V236 L238 F347 L358	V219-V232 HydrophobicContact CG1-CG1 3.61Å; D228-V232 WeakPolarHBondContact O-CG2 3.33Å; D228-V232 PolarHBondContact O-N 3.4Å; L229-V232 PolarHBondContact O-N 2.9Å; V232-G234 PolarHBondContact O-N 3.05Å; V232-G234 VanDerWaalsContact O-N 3.16Å; V232-K235 CarbonylContact O-C 3.59Å; V232-K235 WeakPolarHBondContact O-CA 3.31Å; V232-K235 PolarHBondContact O-N 3.44Å; V232-V236 HydrophobicContact CG1-CB 4.39Å; V232-V236 PolarHBondContact O-N 3.14Å; V232-V236 VanDerWaalsContact O-O 3.07Å; V232-L238 HydrophobicContact CB-CD2 4.28Å; V232-L238 HydrophobicContact CG1-CD2 3.62Å; V232-F347 HydrophobicContact CG2-CE1 3.43Å; V232-F347 VanDerWaalsContact CG2-CE1 3.43Å; V232-F347 HydrophobicContact CG2-CZ 3.83Å; V232-L358 HydrophobicContact CG2-CD2 4.08Å
233	Q	94.1	Very high	95.3	Very high	72 Å²	72	43.5 Å²	43.5	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-56.4	-32.3	177.9	-176.8	65.3	49.9	0	0	112.3	L229 K235 V236 D237 L238 M262	L229-Q233 VanDerWaalsContact O-CB 3.3Å; L229-Q233 WeakPolarHBondContact O-CB 3.24Å; L229-Q233 PolarHBondContact O-N 3.38Å; Q233-K235 PolarHBondContact O-N 3.16Å; Q233-V236 WeakPolarHBondContact CA-O 3.4Å; Q233-D237 PolarHBondContact NE2-OD1 3.08Å; Q233-L238 HydrophobicContact CB-CD1 4.11Å; Q233-L238 HydrophobicContact CB-CG 4.28Å; Q233-L238 VanDerWaalsContact OE1-CG 3.23Å; Q233-M262 HydrophobicContact CB-CE 3.77Å; Q233-M262 HydrophobicContact CG-CE 4.02Å
234	G	92.3	Very high	95.5	Very high	71 Å²	71	43.2 Å²	43.2	73%	0.732	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-13.2	174.6	0	0	0	0	0	114.9	D230 F231 V232	D230-G234 PolarHBondContact O-N 3.15Å; F231-G234 PolarHBondContact O-N 3.48Å; V232-G234 PolarHBondContact O-N 3.05Å; V232-G234 VanDerWaalsContact O-N 3.16Å
235	K	92.8	Very high	95.6	Very high	88 Å²	88	43.2 Å²	43.2	38%	0.383	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-35.4	-177	-64	-176.8	176.2	-170.2	0	113.2	F231 V232 Q233 L358	F231-K235 HydrophobicContact CE1-CD 4.23Å; F231-K235 HydrophobicContact CZ-CD 4.28Å; V232-K235 CarbonylContact O-C 3.59Å; V232-K235 WeakPolarHBondContact O-CA 3.31Å; V232-K235 PolarHBondContact O-N 3.44Å; Q233-K235 PolarHBondContact O-N 3.16Å; K235-L358 HydrophobicContact CB-CD1 3.88Å; K235-L358 HydrophobicContact CD-CD1 3.6Å; K235-L358 HydrophobicContact CG-CD1 4.36Å
236	V	93.8	Very high	95.6	Very high	14 Å²	14	41.5 Å²	41.5	9%	0.085	22%	0.221	C	C	.	.	S	Bend	trans	-140.5	134.3	-177.2	-177.3	0	0	0	0	108.4	V219 V232 Q233 L238 P339 L358	V219-V236 HydrophobicContact CG1-CG1 4.31Å; V219-V236 HydrophobicContact CG2-CG1 3.81Å; V232-V236 HydrophobicContact CG1-CB 4.39Å; V232-V236 PolarHBondContact O-N 3.14Å; V232-V236 VanDerWaalsContact O-O 3.07Å; Q233-V236 WeakPolarHBondContact CA-O 3.4Å; V236-L238 PolarHBondContact O-N 2.94Å; V236-P339 HydrophobicContact CG2-CG 4.17Å; V236-L358 HydrophobicContact CG2-CB 3.99Å
237	D	94.6	Very high	95.6	Very high	68 Å²	68	38 Å²	38	36%	0.364	21%	0.205	S	C	.	.			trans	-69.8	125.6	177.8	175	41.1	0	0	0	112	R217 Q233 K239	R217-D237 IonicContact CZ-OD2 2.75Å; R217-D237 PolarHBondContact NH2-O 3.25Å; R217-D237 IonicContact NH2-OD2 3.86Å; R217-D237 PolarHBondContact NH2-OD2 3.14Å; Q233-D237 PolarHBondContact NE2-OD1 3.08Å; D237-K239 PolarHBondContact OD1-N 2.98Å
238	L	96.8	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.			trans	-88.2	-13.3	-179.4	-55.6	-175.7	0	0	0	113.2	V219 L229 V232 Q233 V236 G240 A241 L243 M262	V219-L238 HydrophobicContact CB-CD2 4.46Å; V219-L238 HydrophobicContact CG1-CD2 3.69Å; L229-L238 HydrophobicContact CB-CD1 4.07Å; L229-L238 HydrophobicContact CD2-CD1 4.45Å; V232-L238 HydrophobicContact CB-CD2 4.28Å; V232-L238 HydrophobicContact CG1-CD2 3.62Å; Q233-L238 HydrophobicContact CB-CD1 4.11Å; Q233-L238 HydrophobicContact CB-CG 4.28Å; Q233-L238 VanDerWaalsContact OE1-CG 3.23Å; V236-L238 PolarHBondContact O-N 2.94Å; L238-G240 PolarHBondContact O-N 2.97Å; L238-A241 VanDerWaalsContact O-CB 3.26Å; L238-A241 WeakPolarHBondContact O-CB 3.31Å; L238-A241 PolarHBondContact O-N 3.49Å; L238-L243 HydrophobicContact CD2-CD2 3.89Å; L238-M262 HydrophobicContact CB-CB 4.34Å; L238-M262 HydrophobicContact CD1-CB 3.94Å; L238-M262 HydrophobicContact CD1-CE 3.87Å; L238-M262 HydrophobicContact CD1-CG 4.23Å
239	K	97.3	Very high	95.2	Very high	154 Å²	154	38.4 Å²	38.4	67%	0.67	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	123.5	-177.5	-168.3	176.6	-179.6	179.8	0	110.9	R217 D237 A241	R217-K239 PolarHBondContact NH2-O 3.47Å; D237-K239 PolarHBondContact OD1-N 2.98Å; K239-A241 PolarHBondContact O-N 3.4Å
240	G	97.2	Very high	95	Very high	34 Å²	34	39.8 Å²	39.8	35%	0.351	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	8.4	-175.9	0	0	0	0	0	114.6	G216 L238 G263 S265	G216-G240 WeakPolarHBondContact CA-O 3.36Å; L238-G240 PolarHBondContact O-N 2.97Å; G240-G263 PolarHBondContact N-O 2.61Å; G240-S265 PolarHBondContact O-OG 2.88Å
241	A	98.1	Very high	95	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-81.3	153.2	178.9	0	0	0	0	0	111.9	R217 V219 L238 K239 L243 A264 S265	R217-A241 CarbonylContact O-C 3.58Å; R217-A241 WeakPolarHBondContact O-CA 3.31Å; R217-A241 WeakPolarHBondContact O-CB 3.25Å; V219-A241 HydrophobicContact CB-CB 4.35Å; V219-A241 HydrophobicContact CG2-CB 3.79Å; L238-A241 VanDerWaalsContact O-CB 3.26Å; L238-A241 WeakPolarHBondContact O-CB 3.31Å; L238-A241 PolarHBondContact O-N 3.49Å; K239-A241 PolarHBondContact O-N 3.4Å; A241-L243 HydrophobicContact CB-CD2 4.21Å; A241-A264 CarbonylContact O-C 3.48Å; A241-A264 WeakPolarHBondContact O-CA 3.04Å; A241-A264 WeakPolarHBondContact O-CB 3.5Å; A241-S265 PolarHBondContact O-N 3.47Å; A241-S265 PolarHBondContact O-OG 3.38Å
242	V	98.6	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.3	167	179	0	0	0	0	107.9	R217 L218 V219 A266 L268 I364 V366	R217-V242 PolarHBondContact O-N 2.98Å; L218-V242 WeakPolarHBondContact CA-O 3.34Å; V219-V242 PolarHBondContact N-O 2.88Å; V242-A266 WeakPolarHBondContact CA-O 3.43Å; V242-A266 HydrophobicContact CG1-CB 4.16Å; V242-A266 HydrophobicContact CG2-CB 4.18Å; V242-L268 HydrophobicContact CG1-CD1 4.33Å; V242-L268 HydrophobicContact CG1-CG 4.17Å; V242-I364 HydrophobicContact CB-CG2 3.47Å; V242-I364 VanDerWaalsContact CB-CG2 3.47Å; V242-I364 HydrophobicContact CG1-CG2 3.7Å; V242-I364 HydrophobicContact CG2-CG2 3.68Å; V242-V366 HydrophobicContact CG1-CG2 3.74Å; V242-V366 HydrophobicContact CG2-CG2 4.45Å
243	L	98.5	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.4	-177.5	-55.5	-168.1	0	0	0	111.4	V219 L229 L238 A241 L245 A259 A264 A266 V267 L268	V219-L243 HydrophobicContact CB-CD2 3.92Å; V219-L243 HydrophobicContact CG1-CD2 4.23Å; V219-L243 CarbonylContact O-C 3.48Å; V219-L243 WeakPolarHBondContact O-CA 3.23Å; L229-L243 HydrophobicContact CD2-CD1 3.77Å; L238-L243 HydrophobicContact CD2-CD2 3.89Å; A241-L243 HydrophobicContact CB-CD2 4.21Å; L243-L245 HydrophobicContact CB-CD2 4.03Å; L243-L245 HydrophobicContact CB-CG 4.17Å; L243-A259 HydrophobicContact CD1-CB 3.65Å; L243-A259 HydrophobicContact CG-CB 4.46Å; L243-A264 HydrophobicContact CD1-CB 4.04Å; L243-A264 HydrophobicContact CD2-CB 4.44Å; L243-A264 HydrophobicContact CG-CB 3.81Å; L243-A266 PolarHBondContact N-O 2.95Å; L243-V267 CarbonylContact O-C 3.53Å; L243-V267 WeakPolarHBondContact O-CA 3.38Å; L243-L268 PolarHBondContact O-N 2.69Å
244	L	98.4	Very high	95.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.3	167.6	179.3	63.6	0	0	0	109.4	L218 V219 Y220 G221 L268 Y270 I324 L332 L333	L218-L244 HydrophobicContact CD1-CB 3.95Å; V219-L244 PolarHBondContact O-N 2.77Å; Y220-L244 HydrophobicContact CD2-CG 4.47Å; Y220-L244 VanDerWaalsContact CD2-O 3.32Å; Y220-L244 WeakPolarHBondContact CD2-O 3.41Å; G221-L244 PolarHBondContact N-O 2.84Å; L244-L268 HydrophobicContact CD1-CB 3.86Å; L244-Y270 HydrophobicContact CD1-CD1 3.54Å; L244-Y270 HydrophobicContact CD1-CE1 3.87Å; L244-Y270 HydrophobicContact CD2-CE1 4.27Å; L244-Y270 HydrophobicContact CG-CD1 4.03Å; L244-Y270 HydrophobicContact CG-CE1 3.81Å; L244-I324 HydrophobicContact CD1-CD1 3.79Å; L244-L332 HydrophobicContact CD2-CB 4.42Å; L244-L333 HydrophobicContact CD2-CD1 4.26Å; L244-L333 HydrophobicContact CD2-CD2 3.77Å; L244-L333 HydrophobicContact CD2-CG 3.72Å
245	L	98.3	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.4	-172.1	-54.1	-177.7	0	0	0	111.8	N222 L243 Q255 V267 L268 I269 Y270	N222-L245 CarbonylContact O-C 3.56Å; N222-L245 WeakPolarHBondContact O-CA 3.33Å; L243-L245 HydrophobicContact CB-CD2 4.03Å; L243-L245 HydrophobicContact CB-CG 4.17Å; L245-Q255 HydrophobicContact CD1-CB 3.84Å; L245-Q255 HydrophobicContact CD1-CG 4.4Å; L245-V267 HydrophobicContact CD1-CG1 3.57Å; L245-V267 HydrophobicContact CG-CG1 4.04Å; L245-L268 PolarHBondContact N-O 3.36Å; L245-I269 WeakPolarHBondContact O-CA 3.45Å; L245-Y270 WeakPolarHBondContact O-CD1 3.49Å; L245-Y270 PolarHBondContact O-N 3.08Å
246	R	96.1	Very high	95.7	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.1	171.3	-60.7	-168.3	-68.8	-173.4	1.3	109.8	Y220 N222 Y223 Q255 Y270 D272 D346 K348 G349	Y220-R246 HydrophobicContact CE2-CG 4.15Å; Y220-R246 VanDerWaalsContact OH-CD 3.31Å; Y220-R246 WeakPolarHBondContact OH-CD 3.43Å; Y220-R246 PolarHBondContact OH-NE 3.45Å; Y220-R246 VanDerWaalsContact OH-NE 3.16Å; N222-R246 PolarHBondContact O-N 2.95Å; N222-R246 PolarHBondContact OD1-NE 3.26Å; N222-R246 PolarHBondContact OD1-NH2 3.17Å; Y223-R246 HydrophobicContact CD1-CB 3.74Å; Y223-R246 HydrophobicContact CE1-CB 3.86Å; Y223-R246 HydrophobicContact CG-CB 4.47Å; R246-Q255 PolarHBondContact O-NE2 3.14Å; R246-Y270 HydrophobicContact CG-CE1 3.95Å; R246-Y270 HydrophobicContact CG-CE2 4.38Å; R246-Y270 WeakPolarHBondContact CG-OH 3.43Å; R246-D272 WeakPolarHBondContact CD-OD2 3.19Å; R246-D272 HydrophobicContact CG-CB 4.12Å; R246-D346 PolarHBondContact NH2-O 3.04Å; R246-K348 VanDerWaalsContact NH1-C 3.29Å; R246-K348 PolarHBondContact NH1-O 2.82Å; R246-G349 VanDerWaalsContact NH1-CA 3.27Å
247	A	94.4	Very high	95.8	Very high	1 Å²	1	27 Å²	27	1%	0.008	14%	0.14	C	C	.	.	S	Bend	trans	-65	139.4	170.9	0	0	0	0	0	111	F252 I269 Y270 L271 Y276 L284	A247-F252 HydrophobicContact CB-CE1 3.78Å; A247-F252 HydrophobicContact CB-CZ 4.33Å; A247-I269 HydrophobicContact CB-CG2 3.89Å; A247-Y270 WeakPolarHBondContact CB-O 2.94Å; A247-Y270 PolarHBondContact N-O 3.27Å; A247-L271 HydrophobicContact CB-CD2 3.91Å; A247-Y276 HydrophobicContact CB-CE2 4.41Å; A247-Y276 WeakPolarHBondContact O-CE2 3.36Å; A247-L284 HydrophobicContact CB-CD2 4.06Å
248	G	90.1	Very high	95.9	Very high	14 Å²	14	24.7 Å²	24.7	14%	0.144	13%	0.129	C	C	.	.			trans	115	175.8	173.9	0	0	0	0	0	114.3	I250	G248-I250 PolarHBondContact O-N 3.32Å
249	K	89.6	Confident	95.9	Very high	123 Å²	123	24.7 Å²	24.7	54%	0.535	13%	0.129	S	C	.	.	S	Bend	trans	62.9	-34.9	-171.5	-41.9	-58.5	176.5	-157	0	115.4	Y223 D275	Y223-K249 HydrophobicContact CD1-CB 4.43Å; Y223-K249 HydrophobicContact CD1-CG 3.63Å; Y223-K249 HydrophobicContact CD2-CG 3.82Å; Y223-K249 HydrophobicContact CE1-CD 4.42Å; Y223-K249 HydrophobicContact CE1-CG 3.8Å; Y223-K249 HydrophobicContact CE2-CG 3.98Å; Y223-K249 HydrophobicContact CG-CB 4.32Å; Y223-K249 HydrophobicContact CG-CG 3.64Å; Y223-K249 WeakPolarHBondContact OH-CE 3.48Å; K249-D275 IonicContact NZ-OD1 3.69Å; K249-D275 PolarHBondContact NZ-OD1 3.26Å
250	I	92.4	Very high	95.9	Very high	29 Å²	29	18.9 Å²	18.9	15%	0.149	11%	0.109	C	C	.	.	S	Bend	trans	-143.7	162.6	173.5	56	164.3	0	0	0	110.1	R225 G248 Q254 Q255 E533	R225-I250 HydrophobicContact CG-CD1 4.14Å; R225-I250 HydrophobicContact CG-CG1 4.26Å; R225-I250 HydrophobicContact CG-CG2 4.27Å; G248-I250 PolarHBondContact O-N 3.32Å; I250-Q254 HydrophobicContact CB-CB 4.21Å; I250-Q254 HydrophobicContact CD1-CB 4.07Å; I250-Q255 HydrophobicContact CD1-CG 3.68Å; I250-Q255 HydrophobicContact CG1-CG 3.73Å; I250-E533 VanDerWaalsContact C-OE1 3.24Å
251	S	93.6	Very high	95.9	Very high	12 Å²	12	23.7 Å²	23.7	8%	0.084	12%	0.12	C	C	.	.			trans	-69.8	155	-176.8	60.3	0	0	0	0	112.8	A253 Q254 Q255 E533	S251-A253 PolarHBondContact O-N 3.11Å; S251-Q254 WeakPolarHBondContact O-CA 3.21Å; S251-Q254 WeakPolarHBondContact O-CB 3.32Å; S251-Q254 PolarHBondContact O-N 3.36Å; S251-Q254 WeakPolarHBondContact OG-CB 3.46Å; S251-Q254 WeakPolarHBondContact OG-CG 3.41Å; S251-Q254 PolarHBondContact OG-N 2.85Å; S251-Q254 VanDerWaalsContact OG-N 3.17Å; S251-Q254 PolarHBondContact OG-OE1 3.32Å; S251-Q255 WeakPolarHBondContact O-CG 3.18Å; S251-Q255 PolarHBondContact O-N 2.94Å; S251-E533 WeakPolarHBondContact CA-OE1 3.35Å; S251-E533 WeakPolarHBondContact CB-OE1 3.49Å; S251-E533 PolarHBondContact N-OE1 2.99Å
252	F	96.3	Very high	95.8	Very high	38 Å²	38	25.4 Å²	25.4	17%	0.167	13%	0.129	C	C	.	.	H	α-helix	trans	-57.9	-39.4	174.5	-54.2	-29.2	0	0	0	111.6	L206 A247 Q254 Q255 V256 I269 L284 V288	L206-F252 HydrophobicContact CD2-CB 4.3Å; L206-F252 HydrophobicContact CD2-CD2 3.57Å; L206-F252 HydrophobicContact CD2-CE2 4.19Å; L206-F252 HydrophobicContact CD2-CG 4.13Å; A247-F252 HydrophobicContact CB-CE1 3.78Å; A247-F252 HydrophobicContact CB-CZ 4.33Å; F252-Q254 VanDerWaalsContact C-N 3.33Å; F252-Q254 PolarHBondContact O-N 2.92Å; F252-Q255 PolarHBondContact O-N 3.12Å; F252-V256 VanDerWaalsContact O-CG2 3.31Å; F252-V256 WeakPolarHBondContact O-CG2 3.34Å; F252-V256 PolarHBondContact O-N 3.43Å; F252-I269 HydrophobicContact CB-CD1 3.82Å; F252-I269 HydrophobicContact CD1-CD1 3.8Å; F252-I269 HydrophobicContact CD1-CG2 4.02Å; F252-I269 HydrophobicContact CE1-CG2 3.92Å; F252-I269 HydrophobicContact CG-CD1 3.94Å; F252-L284 HydrophobicContact CE1-CD2 4.29Å; F252-L284 HydrophobicContact CE2-CD2 4.34Å; F252-L284 HydrophobicContact CE2-CG 4.41Å; F252-L284 HydrophobicContact CZ-CD1 4.17Å; F252-L284 HydrophobicContact CZ-CD2 3.7Å; F252-L284 HydrophobicContact CZ-CG 4.15Å; F252-V288 HydrophobicContact CB-CG1 3.9Å
253	A	95.4	Very high	95.7	Very high	5 Å²	5	26.9 Å²	26.9	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-58.5	-42.8	173.3	0	0	0	0	0	112.3	S251 D257 H289 L290	S251-A253 PolarHBondContact O-N 3.11Å; A253-D257 VanDerWaalsContact O-CB 3.29Å; A253-D257 WeakPolarHBondContact O-CB 3.46Å; A253-D257 PolarHBondContact O-N 3.41Å; A253-H289 WeakPolarHBondContact CB-O 3.44Å; A253-L290 HydrophobicContact CB-CB 4.07Å; A253-L290 HydrophobicContact CB-CD1 3.77Å
254	Q	95	Very high	95.7	Very high	46 Å²	46	27.2 Å²	27.2	22%	0.215	15%	0.147	C	C	.	.	H	α-helix	trans	-67.5	-40.3	174.7	-77.3	167.1	-51.8	0	0	112.7	I250 S251 F252 V256 D257 N258 L290	I250-Q254 HydrophobicContact CB-CB 4.21Å; I250-Q254 HydrophobicContact CD1-CB 4.07Å; S251-Q254 WeakPolarHBondContact O-CA 3.21Å; S251-Q254 WeakPolarHBondContact O-CB 3.32Å; S251-Q254 PolarHBondContact O-N 3.36Å; S251-Q254 WeakPolarHBondContact OG-CB 3.46Å; S251-Q254 WeakPolarHBondContact OG-CG 3.41Å; S251-Q254 PolarHBondContact OG-N 2.85Å; S251-Q254 VanDerWaalsContact OG-N 3.17Å; S251-Q254 PolarHBondContact OG-OE1 3.32Å; F252-Q254 VanDerWaalsContact C-N 3.33Å; F252-Q254 PolarHBondContact O-N 2.92Å; Q254-V256 VanDerWaalsContact C-N 3.32Å; Q254-V256 PolarHBondContact O-N 2.83Å; Q254-D257 PolarHBondContact O-N 3.13Å; Q254-N258 WeakPolarHBondContact O-CB 3.49Å; Q254-N258 PolarHBondContact O-N 2.85Å; Q254-N258 PolarHBondContact O-ND2 3.08Å; Q254-N258 PolarHBondContact O-OD1 2.73Å; Q254-L290 HydrophobicContact CG-CD1 3.89Å
255	Q	97.5	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-46.3	176.8	-71.1	-175.3	-27.6	0	0	111.1	Y223 L245 R246 I250 S251 F252 A259	Y223-Q255 WeakPolarHBondContact O-CG 3.45Å; Y223-Q255 PolarHBondContact O-NE2 3.1Å; L245-Q255 HydrophobicContact CD1-CB 3.84Å; L245-Q255 HydrophobicContact CD1-CG 4.4Å; R246-Q255 PolarHBondContact O-NE2 3.14Å; I250-Q255 HydrophobicContact CD1-CG 3.68Å; I250-Q255 HydrophobicContact CG1-CG 3.73Å; S251-Q255 WeakPolarHBondContact O-CG 3.18Å; S251-Q255 PolarHBondContact O-N 2.94Å; F252-Q255 PolarHBondContact O-N 3.12Å; Q255-A259 VanDerWaalsContact O-CB 3.31Å; Q255-A259 WeakPolarHBondContact O-CB 3.22Å; Q255-A259 PolarHBondContact O-N 2.96Å
256	V	97.8	Very high	95.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-70.2	-41.5	179.8	178.9	0	0	0	0	111.9	F252 Q254 A259 A260 V267 V288 P317 I319 A321	F252-V256 VanDerWaalsContact O-CG2 3.31Å; F252-V256 WeakPolarHBondContact O-CG2 3.34Å; F252-V256 PolarHBondContact O-N 3.43Å; Q254-V256 VanDerWaalsContact C-N 3.32Å; Q254-V256 PolarHBondContact O-N 2.83Å; V256-A259 PolarHBondContact O-N 3.06Å; V256-A260 WeakPolarHBondContact O-CB 3.44Å; V256-A260 PolarHBondContact O-N 3.42Å; V256-V267 HydrophobicContact CG2-CB 4.18Å; V256-V267 HydrophobicContact CG2-CG1 4.26Å; V256-V267 HydrophobicContact CG2-CG2 4.32Å; V256-V288 HydrophobicContact CB-CG1 4.48Å; V256-V288 HydrophobicContact CG2-CB 4.27Å; V256-V288 HydrophobicContact CG2-CG1 3.7Å; V256-P317 HydrophobicContact CG1-CB 3.59Å; V256-I319 HydrophobicContact CG1-CD1 4.22Å; V256-I319 HydrophobicContact CG1-CG1 3.81Å; V256-A321 HydrophobicContact CG1-CB 4.29Å; V256-A321 HydrophobicContact CG2-CB 3.52Å
257	D	95.8	Very high	95.8	Very high	40 Å²	40	28.2 Å²	28.2	21%	0.214	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-46.5	175	176.2	51	0	0	0	111.8	A253 Q254 A260 K261 L290 R706	A253-D257 VanDerWaalsContact O-CB 3.29Å; A253-D257 WeakPolarHBondContact O-CB 3.46Å; A253-D257 PolarHBondContact O-N 3.41Å; Q254-D257 PolarHBondContact O-N 3.13Å; D257-A260 PolarHBondContact O-N 3.3Å; D257-K261 WeakPolarHBondContact O-CG 3.49Å; D257-K261 PolarHBondContact O-N 2.74Å; D257-K261 VanDerWaalsContact OD1-CE 3.25Å; D257-K261 WeakPolarHBondContact OD1-CE 3.39Å; D257-K261 IonicContact OD1-NZ 2.8Å; D257-K261 PolarHBondContact OD1-NZ 2.75Å; D257-K261 WeakPolarHBondContact OD2-CE 3.31Å; D257-K261 IonicContact OD2-NZ 3.59Å; D257-K261 PolarHBondContact OD2-NZ 2.98Å; D257-L290 HydrophobicContact CB-CD2 3.9Å; D257-R706 IonicContact OD2-NH2 3.18Å; D257-R706 PolarHBondContact OD2-NH2 3.27Å
258	N	96.7	Very high	96	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.112	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-45.6	176.8	-66.1	-13.9	0	0	0	111.2	G224 L229 Q254 A260 K261 M262	G224-N258 PolarHBondContact O-ND2 3.42Å; L229-N258 HydrophobicContact CD1-CB 3.74Å; Q254-N258 WeakPolarHBondContact O-CB 3.49Å; Q254-N258 PolarHBondContact O-N 2.85Å; Q254-N258 PolarHBondContact O-ND2 3.08Å; Q254-N258 PolarHBondContact O-OD1 2.73Å; N258-A260 PolarHBondContact O-N 3.17Å; N258-K261 PolarHBondContact O-N 3.37Å; N258-M262 WeakPolarHBondContact O-CG 3.22Å; N258-M262 PolarHBondContact O-N 3.16Å; N258-M262 VanDerWaalsContact O-N 3.15Å
259	A	97.8	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.4	-45.1	177.3	0	0	0	0	0	112.1	L243 Q255 V256 K261 M262 G263 A264 V267 I319	L243-A259 HydrophobicContact CD1-CB 3.65Å; L243-A259 HydrophobicContact CG-CB 4.46Å; Q255-A259 VanDerWaalsContact O-CB 3.31Å; Q255-A259 WeakPolarHBondContact O-CB 3.22Å; Q255-A259 PolarHBondContact O-N 2.96Å; V256-A259 PolarHBondContact O-N 3.06Å; A259-K261 VanDerWaalsContact C-N 3.34Å; A259-K261 PolarHBondContact O-N 2.77Å; A259-M262 PolarHBondContact O-N 3.46Å; A259-M262 VanDerWaalsContact O-N 3.16Å; A259-G263 PolarHBondContact O-N 3.19Å; A259-A264 HydrophobicContact CB-CB 4.09Å; A259-A264 VanDerWaalsContact O-CB 3.25Å; A259-A264 WeakPolarHBondContact O-CB 3.37Å; A259-A264 PolarHBondContact O-N 2.89Å; A259-A264 VanDerWaalsContact O-N 3.09Å; A259-V267 HydrophobicContact CB-CG2 3.4Å; A259-I319 HydrophobicContact CB-CD1 4.21Å
260	A	97.3	Very high	96.8	Very high	31 Å²	31	21.7 Å²	21.7	26%	0.256	12%	0.121	S	C	.	.	H	α-helix	trans	-62.4	-39.8	177.8	0	0	0	0	0	112.1	V256 D257 N258 M262 G263 I319	V256-A260 WeakPolarHBondContact O-CB 3.44Å; V256-A260 PolarHBondContact O-N 3.42Å; D257-A260 PolarHBondContact O-N 3.3Å; N258-A260 PolarHBondContact O-N 3.17Å; A260-M262 VanDerWaalsContact C-N 3.26Å; A260-M262 PolarHBondContact O-N 3.33Å; A260-G263 PolarHBondContact O-N 3.3Å; A260-I319 HydrophobicContact CB-CD1 3.9Å; A260-I319 HydrophobicContact CB-CG1 4.18Å; A260-I319 HydrophobicContact CB-CG2 4.4Å
261	K	95.4	Very high	96.9	Very high	135 Å²	135	20.9 Å²	20.9	59%	0.587	12%	0.117	S	C	*	.	H	α-helix	trans	-62.9	-31.5	175.1	-75.8	166.6	177.3	164.3	0	113.1	D257 N258 A259 G263	D257-K261 WeakPolarHBondContact O-CG 3.49Å; D257-K261 PolarHBondContact O-N 2.74Å; D257-K261 VanDerWaalsContact OD1-CE 3.25Å; D257-K261 WeakPolarHBondContact OD1-CE 3.39Å; D257-K261 IonicContact OD1-NZ 2.8Å; D257-K261 PolarHBondContact OD1-NZ 2.75Å; D257-K261 WeakPolarHBondContact OD2-CE 3.31Å; D257-K261 IonicContact OD2-NZ 3.59Å; D257-K261 PolarHBondContact OD2-NZ 2.98Å; N258-K261 PolarHBondContact O-N 3.37Å; A259-K261 VanDerWaalsContact C-N 3.34Å; A259-K261 PolarHBondContact O-N 2.77Å; K261-G263 PolarHBondContact O-N 2.73Å
262	M	96.3	Very high	96.9	Very high	36 Å²	36	20.3 Å²	20.3	18%	0.177	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.4	173.9	-59.5	-60.6	-72.9	0	0	113.2	Q226 L229 Q233 L238 N258 A259 A260	Q226-M262 PolarHBondContact NE2-SD 2.81Å; L229-M262 HydrophobicContact CB-CE 4.23Å; L229-M262 HydrophobicContact CB-CG 3.91Å; L229-M262 HydrophobicContact CB-SD 4.48Å; L229-M262 HydrophobicContact CD1-CG 3.71Å; L229-M262 HydrophobicContact CG-CG 4.45Å; Q233-M262 HydrophobicContact CB-CE 3.77Å; Q233-M262 HydrophobicContact CG-CE 4.02Å; L238-M262 HydrophobicContact CB-CB 4.34Å; L238-M262 HydrophobicContact CD1-CB 3.94Å; L238-M262 HydrophobicContact CD1-CE 3.87Å; L238-M262 HydrophobicContact CD1-CG 4.23Å; N258-M262 WeakPolarHBondContact O-CG 3.22Å; N258-M262 PolarHBondContact O-N 3.16Å; N258-M262 VanDerWaalsContact O-N 3.15Å; A259-M262 PolarHBondContact O-N 3.46Å; A259-M262 VanDerWaalsContact O-N 3.16Å; A260-M262 VanDerWaalsContact C-N 3.26Å; A260-M262 PolarHBondContact O-N 3.33Å
263	G	97	Very high	96.6	Very high	32 Å²	32	19.7 Å²	19.7	33%	0.33	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	17.4	178.6	0	0	0	0	0	114.6	G240 A259 A260 K261	G240-G263 PolarHBondContact N-O 2.61Å; A259-G263 PolarHBondContact O-N 3.19Å; A260-G263 PolarHBondContact O-N 3.3Å; K261-G263 PolarHBondContact O-N 2.73Å
264	A	98.2	Very high	96.3	Very high	6 Å²	6	23.8 Å²	23.8	5%	0.05	13%	0.131	C	C	.	.			trans	-60.7	152.4	171.7	0	0	0	0	0	111.4	A241 L243 A259 I319	A241-A264 CarbonylContact O-C 3.48Å; A241-A264 WeakPolarHBondContact O-CA 3.04Å; A241-A264 WeakPolarHBondContact O-CB 3.5Å; L243-A264 HydrophobicContact CD1-CB 4.04Å; L243-A264 HydrophobicContact CD2-CB 4.44Å; L243-A264 HydrophobicContact CG-CB 3.81Å; A259-A264 HydrophobicContact CB-CB 4.09Å; A259-A264 VanDerWaalsContact O-CB 3.25Å; A259-A264 WeakPolarHBondContact O-CB 3.37Å; A259-A264 PolarHBondContact O-N 2.89Å; A259-A264 VanDerWaalsContact O-N 3.09Å; A264-I319 HydrophobicContact CB-CD1 4.48Å; A264-I319 WeakPolarHBondContact O-CG2 3.4Å
265	S	98.1	Very high	95.9	Very high	23 Å²	23	23.4 Å²	23.4	16%	0.161	13%	0.131	C	C	.	.	S	Bend	trans	-95.2	-28	179.8	57.3	0	0	0	0	113.6	G240 A241 P320	G240-S265 PolarHBondContact O-OG 2.88Å; A241-S265 PolarHBondContact O-N 3.47Å; A241-S265 PolarHBondContact O-OG 3.38Å; S265-P320 WeakPolarHBondContact O-CD 3.3Å
266	A	98.6	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	168.8	171.8	0	0	0	0	0	112.2	V214 V242 L243 P320 V366	V214-A266 HydrophobicContact CG2-CB 3.46Å; V214-A266 VanDerWaalsContact CG2-CB 3.46Å; V242-A266 WeakPolarHBondContact CA-O 3.43Å; V242-A266 HydrophobicContact CG1-CB 4.16Å; V242-A266 HydrophobicContact CG2-CB 4.18Å; L243-A266 PolarHBondContact N-O 2.95Å; A266-P320 CarbonylContact C-O 3.56Å; A266-P320 WeakPolarHBondContact CA-O 3.42Å; A266-P320 HydrophobicContact CB-CB 4.27Å; A266-P320 WeakPolarHBondContact CB-O 3.43Å; A266-V366 HydrophobicContact CB-CB 4.25Å; A266-V366 HydrophobicContact CB-CG1 4.49Å; A266-V366 HydrophobicContact CB-CG2 4.36Å
267	V	98.8	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.7	177.8	177.6	0	0	0	0	111.1	L243 L245 V256 A259 I269 I319 P320 A321 Q322	L243-V267 CarbonylContact O-C 3.53Å; L243-V267 WeakPolarHBondContact O-CA 3.38Å; L245-V267 HydrophobicContact CD1-CG1 3.57Å; L245-V267 HydrophobicContact CG-CG1 4.04Å; V256-V267 HydrophobicContact CG2-CB 4.18Å; V256-V267 HydrophobicContact CG2-CG1 4.26Å; V256-V267 HydrophobicContact CG2-CG2 4.32Å; A259-V267 HydrophobicContact CB-CG2 3.4Å; V267-I269 HydrophobicContact CG1-CD1 4.27Å; V267-I269 HydrophobicContact CG1-CG1 3.76Å; V267-I319 HydrophobicContact CG2-CD1 3.86Å; V267-P320 PolarHBondContact N-O 3.24Å; V267-A321 HydrophobicContact CB-CB 4.32Å; V267-A321 CarbonylContact O-C 3.52Å; V267-A321 VanDerWaalsContact O-CA 3.26Å; V267-A321 WeakPolarHBondContact O-CA 3.47Å; V267-Q322 PolarHBondContact O-N 2.88Å
268	L	98.8	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.1	168.1	-62.3	179.2	0	0	0	109.3	V193 V242 L243 L244 L245 Q322 I324 L332 I364 V366	V193-L268 HydrophobicContact CG1-CD1 4.07Å; V193-L268 HydrophobicContact CG2-CD2 3.9Å; V242-L268 HydrophobicContact CG1-CD1 4.33Å; V242-L268 HydrophobicContact CG1-CG 4.17Å; L243-L268 PolarHBondContact O-N 2.69Å; L244-L268 HydrophobicContact CD1-CB 3.86Å; L245-L268 PolarHBondContact N-O 3.36Å; L268-Q322 CarbonylContact C-O 3.48Å; L268-Q322 VanDerWaalsContact CA-O 3.25Å; L268-Q322 WeakPolarHBondContact CA-O 3.21Å; L268-Q322 HydrophobicContact CD2-CB 3.93Å; L268-Q322 HydrophobicContact CD2-CG 4.46Å; L268-I324 HydrophobicContact CB-CD1 4.41Å; L268-I324 HydrophobicContact CD1-CD1 4.48Å; L268-I324 HydrophobicContact CD2-CG2 4.21Å; L268-L332 HydrophobicContact CD1-CD1 4Å; L268-I364 HydrophobicContact CD1-CD1 3.73Å; L268-V366 HydrophobicContact CD1-CG2 4.28Å; L268-V366 HydrophobicContact CD2-CG1 4.12Å; L268-V366 HydrophobicContact CD2-CG2 3.9Å; L268-V366 HydrophobicContact CG-CG2 4.19Å
269	I	98.5	Very high	94	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.6	-178.3	-53.5	178.5	0	0	0	109.8	L206 L245 A247 F252 V267 L284 Q322 T323 I324	L206-I269 HydrophobicContact CD1-CD1 3.74Å; L206-I269 HydrophobicContact CD1-CG1 4.32Å; L245-I269 WeakPolarHBondContact O-CA 3.45Å; A247-I269 HydrophobicContact CB-CG2 3.89Å; F252-I269 HydrophobicContact CB-CD1 3.82Å; F252-I269 HydrophobicContact CD1-CD1 3.8Å; F252-I269 HydrophobicContact CD1-CG2 4.02Å; F252-I269 HydrophobicContact CE1-CG2 3.92Å; F252-I269 HydrophobicContact CG-CD1 3.94Å; V267-I269 HydrophobicContact CG1-CD1 4.27Å; V267-I269 HydrophobicContact CG1-CG1 3.76Å; I269-L284 HydrophobicContact CG2-CD2 4.38Å; I269-Q322 PolarHBondContact N-O 3.45Å; I269-T323 HydrophobicContact CB-CG2 4.49Å; I269-T323 CarbonylContact O-C 3.54Å; I269-T323 VanDerWaalsContact O-CA 3.25Å; I269-T323 WeakPolarHBondContact O-CA 3.31Å; I269-I324 PolarHBondContact O-N 3.42Å
270	Y	97.3	Very high	93.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162.1	177.8	75.4	-80.7	0	0	0	112.9	Y220 L244 L245 R246 A247 D272 I324 A329 L351	Y220-Y270 HydrophobicContact CE2-CE1 4.46Å; L244-Y270 HydrophobicContact CD1-CD1 3.54Å; L244-Y270 HydrophobicContact CD1-CE1 3.87Å; L244-Y270 HydrophobicContact CD2-CE1 4.27Å; L244-Y270 HydrophobicContact CG-CD1 4.03Å; L244-Y270 HydrophobicContact CG-CE1 3.81Å; L245-Y270 WeakPolarHBondContact O-CD1 3.49Å; L245-Y270 PolarHBondContact O-N 3.08Å; R246-Y270 HydrophobicContact CG-CE1 3.95Å; R246-Y270 HydrophobicContact CG-CE2 4.38Å; R246-Y270 WeakPolarHBondContact CG-OH 3.43Å; A247-Y270 WeakPolarHBondContact CB-O 2.94Å; A247-Y270 PolarHBondContact N-O 3.27Å; Y270-D272 HydrophobicContact CE2-CB 3.83Å; Y270-D272 PolarHBondContact OH-OD2 2.82Å; Y270-I324 WeakPolarHBondContact CA-O 3.44Å; Y270-I324 WeakPolarHBondContact CB-O 3.16Å; Y270-A329 HydrophobicContact CD1-CB 3.76Å; Y270-A329 HydrophobicContact CD2-CB 3.46Å; Y270-A329 VanDerWaalsContact CD2-CB 3.46Å; Y270-A329 HydrophobicContact CE1-CB 4.15Å; Y270-A329 HydrophobicContact CE2-CB 3.89Å; Y270-A329 HydrophobicContact CG-CB 3.38Å; Y270-L351 HydrophobicContact CD2-CD1 4.37Å; Y270-L351 HydrophobicContact CE2-CD1 3.61Å; Y270-L351 HydrophobicContact CE2-CG 4.35Å
271	L	94.2	Very high	93.5	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	22%	0.221	C	C	.	.			trans	-88.4	110.6	174.6	-63.1	167	0	0	0	109.8	A247 Y276 L278 L284 A326 T565	A247-L271 HydrophobicContact CB-CD2 3.91Å; L271-Y276 HydrophobicContact CB-CD2 4.26Å; L271-Y276 HydrophobicContact CB-CG 4.36Å; L271-Y276 HydrophobicContact CD2-CD1 3.96Å; L271-Y276 HydrophobicContact CD2-CD2 3.68Å; L271-Y276 HydrophobicContact CD2-CE1 4.12Å; L271-Y276 HydrophobicContact CD2-CE2 3.85Å; L271-Y276 HydrophobicContact CD2-CG 3.76Å; L271-L278 HydrophobicContact CD1-CD1 4.03Å; L271-L284 HydrophobicContact CD1-CB 4.26Å; L271-L284 HydrophobicContact CD1-CD1 4.33Å; L271-L284 HydrophobicContact CD2-CD1 4.21Å; L271-L284 HydrophobicContact CD2-CD2 4.03Å; L271-L284 HydrophobicContact CG-CB 4.47Å; L271-L284 HydrophobicContact CG-CD1 4.48Å; L271-L284 HydrophobicContact CG-CD2 4.03Å; L271-A326 VanDerWaalsContact O-CB 3.22Å; L271-A326 WeakPolarHBondContact O-CB 3.34Å; L271-T565 HydrophobicContact CD1-CG2 4.29Å
272	D	93.5	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.			trans	-79.9	143.3	173.7	-162.6	-65.4	0	0	0	110.6	R246 Y270 E274 D275 Y276 G349 E350 Y356	R246-D272 WeakPolarHBondContact CD-OD2 3.19Å; R246-D272 HydrophobicContact CG-CB 4.12Å; Y270-D272 HydrophobicContact CE2-CB 3.83Å; Y270-D272 PolarHBondContact OH-OD2 2.82Å; D272-E274 PolarHBondContact O-N 3.18Å; D272-E274 WeakPolarHBondContact OD1-CB 3.23Å; D272-E274 PolarHBondContact OD1-N 2.98Å; D272-D275 PolarHBondContact O-N 3.37Å; D272-Y276 PolarHBondContact O-N 2.9Å; D272-G349 WeakPolarHBondContact OD1-CA 3.31Å; D272-E350 PolarHBondContact OD1-N 3.34Å; D272-Y356 PolarHBondContact OD2-OH 3.5Å
273	T	91.1	Very high	93.4	Very high	26 Å²	26	36.5 Å²	36.5	16%	0.16	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.7	-178.5	48.1	0	0	0	0	113.9	Y276 E350 L351	T273-Y276 WeakPolarHBondContact CA-O 3.37Å; T273-E350 WeakPolarHBondContact OG1-CB 3.5Å; T273-E350 PolarHBondContact OG1-O 2.91Å; T273-L351 HydrophobicContact CG2-CD2 4.13Å; T273-L351 PolarHBondContact OG1-N 3.22Å
274	E	88.4	Confident	93.3	Very high	90 Å²	90	35.3 Å²	35.3	42%	0.421	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-51.3	172.9	173.4	64.3	-165.8	0	0	110.4	D272 E350	D272-E274 PolarHBondContact O-N 3.18Å; D272-E274 WeakPolarHBondContact OD1-CB 3.23Å; D272-E274 PolarHBondContact OD1-N 2.98Å; E274-E350 HydrophobicContact CB-CB 4.11Å; E274-E350 HydrophobicContact CB-CG 4.28Å; E274-E350 WeakPolarHBondContact OE2-CG 3.5Å
275	D	86.9	Confident	93.2	Very high	39 Å²	39	37.3 Å²	37.3	21%	0.209	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-33	179.8	-55.8	-78.2	0	0	0	112	Y223 K249 D272	Y223-D275 VanDerWaalsContact CE1-OD2 3.32Å; Y223-D275 WeakPolarHBondContact CE1-OD2 3.4Å; Y223-D275 PolarHBondContact OH-OD1 2.76Å; Y223-D275 PolarHBondContact OH-OD2 2.79Å; K249-D275 IonicContact NZ-OD1 3.69Å; K249-D275 PolarHBondContact NZ-OD1 3.26Å; D272-D275 PolarHBondContact O-N 3.37Å
276	Y	86.9	Confident	93.1	Very high	32 Å²	32	36.4 Å²	36.4	13%	0.125	19%	0.185	C	C	.	.			trans	-125.2	94.9	-171.1	-57.6	-88.2	0	0	0	112	A247 L271 D272 T273 L278 P561	A247-Y276 HydrophobicContact CB-CE2 4.41Å; A247-Y276 WeakPolarHBondContact O-CE2 3.36Å; L271-Y276 HydrophobicContact CB-CD2 4.26Å; L271-Y276 HydrophobicContact CB-CG 4.36Å; L271-Y276 HydrophobicContact CD2-CD1 3.96Å; L271-Y276 HydrophobicContact CD2-CD2 3.68Å; L271-Y276 HydrophobicContact CD2-CE1 4.12Å; L271-Y276 HydrophobicContact CD2-CE2 3.85Å; L271-Y276 HydrophobicContact CD2-CG 3.76Å; D272-Y276 PolarHBondContact O-N 2.9Å; T273-Y276 WeakPolarHBondContact CA-O 3.37Å; Y276-L278 PolarHBondContact O-N 3.1Å; Y276-P561 HydrophobicContact CD1-CB 3.8Å
277	K	86.1	Confident	93	Very high	166 Å²	166	38.5 Å²	38.5	72%	0.722	19%	0.194	S	C	*	.			trans	-74.3	68.8	175	-61.6	-175	-179.9	-174.5	0	111.7
278	L	85.3	Confident	92.9	Very high	27 Å²	27	38.6 Å²	38.6	14%	0.141	20%	0.195	C	C	.	.	S	Bend	trans	-117.5	171.2	-177.2	-62.5	176.9	0	0	0	111.4	L271 Y276 T282 P561 Y562	L271-L278 HydrophobicContact CD1-CD1 4.03Å; Y276-L278 PolarHBondContact O-N 3.1Å; L278-T282 HydrophobicContact CD1-CG2 4.38Å; L278-P561 HydrophobicContact CD1-CB 4.24Å; L278-P561 WeakPolarHBondContact CD1-O 3.48Å; L278-P561 HydrophobicContact CD2-CB 4.03Å; L278-P561 HydrophobicContact CD2-CG 4.36Å; L278-P561 HydrophobicContact CG-CB 4.19Å; L278-Y562 HydrophobicContact CD2-CD1 3.41Å; L278-Y562 VanDerWaalsContact CD2-CD1 3.41Å; L278-Y562 HydrophobicContact CD2-CE1 3.15Å; L278-Y562 HydrophobicContact CD2-CG 4.35Å
279	V	89.2	Confident	92.6	Very high	99 Å²	99	38.6 Å²	38.6	60%	0.6	20%	0.195	S	C	*	.			trans	-65.2	136.7	169	-177.2	0	0	0	0	108.5	D281 T282	V279-D281 PolarHBondContact O-N 2.95Å; V279-T282 VanDerWaalsContact O-CB 3.28Å; V279-T282 WeakPolarHBondContact O-CB 3.49Å; V279-T282 PolarHBondContact O-N 3.25Å; V279-T282 VanDerWaalsContact O-N 3.07Å; V279-T282 PolarHBondContact O-OG1 3.48Å
280	T	90.6	Very high	92.3	Very high	59 Å²	59	39.8 Å²	39.8	36%	0.362	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.1	-171.2	46.6	0	0	0	0	114.3	T282 T325 A326 S327	T280-T282 VanDerWaalsContact C-N 3.27Å; T280-T282 PolarHBondContact O-N 3.33Å; T280-T325 WeakPolarHBondContact O-CB 3.46Å; T280-A326 HydrophobicContact CG2-CB 4.3Å; T280-A326 WeakPolarHBondContact O-CB 3.44Å; T280-A326 PolarHBondContact O-N 3.13Å; T280-S327 PolarHBondContact O-N 3.31Å
281	D	94.1	Very high	91.9	Very high	98 Å²	98	40 Å²	40	52%	0.524	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	18.6	176.9	-57.5	-43.2	0	0	0	112.7	V279 E283 S327	V279-D281 PolarHBondContact O-N 2.95Å; D281-E283 PolarHBondContact O-N 2.77Å; D281-S327 WeakPolarHBondContact OD1-CB 3.36Å; D281-S327 PolarHBondContact OD1-OG 3.06Å
282	T	94.8	Very high	91.8	Very high	12 Å²	12	40 Å²	40	7%	0.074	20%	0.204	C	C	.	.			trans	-74	125	177.5	-55.8	0	0	0	0	110.3	L278 V279 T280 T565 L567	L278-T282 HydrophobicContact CD1-CG2 4.38Å; V279-T282 VanDerWaalsContact O-CB 3.28Å; V279-T282 WeakPolarHBondContact O-CB 3.49Å; V279-T282 PolarHBondContact O-N 3.25Å; V279-T282 VanDerWaalsContact O-N 3.07Å; V279-T282 PolarHBondContact O-OG1 3.48Å; T280-T282 VanDerWaalsContact C-N 3.27Å; T280-T282 PolarHBondContact O-N 3.33Å; T282-T565 HydrophobicContact CG2-CG2 3.76Å; T282-L567 HydrophobicContact CG2-CD1 3.77Å; T282-L567 HydrophobicContact CG2-CG 4.19Å
283	E	94.9	Very high	91.7	Very high	45 Å²	45	40 Å²	40	21%	0.21	20%	0.204	C	C	.	.			trans	-80.2	144.2	177.1	-53.4	-59.8	174	0	0	112.4	V203 D281 Y285 T325 T565	V203-E283 HydrophobicContact CB-CG 4.05Å; D281-E283 PolarHBondContact O-N 2.77Å; E283-Y285 HydrophobicContact CB-CE2 4.05Å; E283-T325 VanDerWaalsContact CD-CG2 3.41Å; E283-T325 VanDerWaalsContact OE1-CG2 3.28Å; E283-T325 WeakPolarHBondContact OE1-CG2 3.43Å; E283-T325 WeakPolarHBondContact OE2-CG2 3.39Å; E283-T565 WeakPolarHBondContact O-CB 3.33Å; E283-T565 WeakPolarHBondContact O-CG2 3.5Å
284	L	95.3	Very high	91.8	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	20%	0.196	C	C	.	.			trans	-118.9	131	-177.9	-179.2	64	0	0	0	110.6	G204 Y205 A247 F252 I269 L271 T323 T565	G204-L284 VanDerWaalsContact CA-O 3.32Å; G204-L284 WeakPolarHBondContact CA-O 3.32Å; Y205-L284 PolarHBondContact N-O 3.37Å; A247-L284 HydrophobicContact CB-CD2 4.06Å; F252-L284 HydrophobicContact CE1-CD2 4.29Å; F252-L284 HydrophobicContact CE2-CD2 4.34Å; F252-L284 HydrophobicContact CE2-CG 4.41Å; F252-L284 HydrophobicContact CZ-CD1 4.17Å; F252-L284 HydrophobicContact CZ-CD2 3.7Å; F252-L284 HydrophobicContact CZ-CG 4.15Å; I269-L284 HydrophobicContact CG2-CD2 4.38Å; L271-L284 HydrophobicContact CD1-CB 4.26Å; L271-L284 HydrophobicContact CD1-CD1 4.33Å; L271-L284 HydrophobicContact CD2-CD1 4.21Å; L271-L284 HydrophobicContact CD2-CD2 4.03Å; L271-L284 HydrophobicContact CG-CB 4.47Å; L271-L284 HydrophobicContact CG-CD1 4.48Å; L271-L284 HydrophobicContact CG-CD2 4.03Å; L284-T323 HydrophobicContact CB-CG2 4.11Å; L284-T323 HydrophobicContact CD2-CG2 4Å; L284-T323 HydrophobicContact CG-CG2 3.97Å; L284-T323 WeakPolarHBondContact O-CB 3.17Å; L284-T323 WeakPolarHBondContact O-CG2 3.18Å; L284-T323 PolarHBondContact O-OG1 2.91Å; L284-T565 HydrophobicContact CD1-CG2 4.47Å
285	Y	96.1	Very high	91.9	Very high	48 Å²	48	34.5 Å²	34.5	19%	0.188	18%	0.176	C	C	.	.			trans	-116.2	146.4	177.1	-55.9	-92.9	0	0	0	109.5	Y205 E283 W403 G564	Y205-Y285 AromaticContact CD1-CD1 3.63Å; Y205-Y285 HydrophobicContact CD1-CD1 3.63Å; Y205-Y285 AromaticContact CD1-CE1 3.95Å; Y205-Y285 HydrophobicContact CD1-CE1 3.95Å; Y205-Y285 AromaticContact CE1-CD1 3.68Å; Y205-Y285 HydrophobicContact CE1-CD1 3.68Å; Y205-Y285 HydrophobicContact CE1-CE1 4.1Å; Y205-Y285 WeakPolarHBondContact O-CA 3.37Å; E283-Y285 HydrophobicContact CB-CE2 4.05Å; Y285-W403 VanDerWaalsContact CB-CE3 3.45Å; Y285-W403 HydrophobicContact CD1-CB 4.45Å; Y285-W403 HydrophobicContact CD1-CG 4.4Å; Y285-W403 HydrophobicContact CD2-CB 4.38Å; Y285-W403 HydrophobicContact CG-CB 4.01Å; Y285-W403 HydrophobicContact CG-CD2 4.42Å; Y285-W403 HydrophobicContact CG-CG 4.17Å; Y285-G564 WeakPolarHBondContact CD2-O 3.5Å; Y285-G564 PolarHBondContact N-O 3.12Å
286	G	95.4	Very high	92	Very high	4 Å²	4	33.8 Å²	33.8	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	179.4	-176.9	0	0	0	0	0	112.4	Y205 L206 A207 W403	Y205-G286 PolarHBondContact O-N 3.34Å; L206-G286 CarbonylContact C-O 3.54Å; L206-G286 VanDerWaalsContact CA-O 3.31Å; L206-G286 WeakPolarHBondContact CA-O 3.39Å; A207-G286 PolarHBondContact N-O 3.42Å; G286-W403 WeakPolarHBondContact O-CH2 3.38Å
287	H	96.3	Very high	92	Very high	45 Å²	45	32.6 Å²	32.6	21%	0.208	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.8	169.2	74.9	94.9	0	0	0	110	A207 Y208 H289 W403 E448	A207-H287 HydrophobicContact CB-CB 3.99Å; A207-H287 CarbonylContact O-C 3.55Å; A207-H287 WeakPolarHBondContact O-CA 3.42Å; Y208-H287 HydrophobicContact CD2-CB 4.09Å; Y208-H287 HydrophobicContact CE2-CB 4.36Å; H287-H289 PolarHBondContact ND1-O 3.23Å; H287-W403 HydrophobicContact CB-CH2 4.44Å; H287-E448 PolarHBondContact CD2-O 3.35Å
288	V	96.6	Very high	91.8	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.134	C	C	.	.			trans	-119.6	14	-178.7	-72.5	0	0	0	0	112.9	L206 A207 F252 V256 L290 P317 A321	L206-V288 HydrophobicContact CB-CG1 3.94Å; L206-V288 HydrophobicContact CB-CG2 4.24Å; L206-V288 HydrophobicContact CD1-CG1 3.8Å; L206-V288 HydrophobicContact CD2-CG1 4.22Å; L206-V288 HydrophobicContact CG-CG1 4.2Å; A207-V288 VanDerWaalsContact O-CG2 3.23Å; A207-V288 WeakPolarHBondContact O-CG2 3.46Å; A207-V288 PolarHBondContact O-N 3.3Å; F252-V288 HydrophobicContact CB-CG1 3.9Å; V256-V288 HydrophobicContact CB-CG1 4.48Å; V256-V288 HydrophobicContact CG2-CB 4.27Å; V256-V288 HydrophobicContact CG2-CG1 3.7Å; V288-L290 PolarHBondContact O-N 3.16Å; V288-P317 HydrophobicContact CB-CG 4.33Å; V288-P317 HydrophobicContact CG2-CG 3.73Å; V288-A321 HydrophobicContact CG1-CB 4.19Å
289	H	93.9	Very high	91.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.			trans	-72.2	117	168.9	173.8	-143.2	0	0	0	110.5	Y208 A253 H287 G291 S292 S313	Y208-H289 HydrophobicContact CD2-CB 3.5Å; Y208-H289 HydrophobicContact CE2-CB 4.06Å; Y208-H289 HydrophobicContact CG-CB 4.12Å; A253-H289 WeakPolarHBondContact CB-O 3.44Å; H287-H289 PolarHBondContact ND1-O 3.23Å; H289-G291 PolarHBondContact O-N 2.73Å; H289-S292 PolarHBondContact CE1-N 3.35Å; H289-S313 WeakPolarHBondContact NE2-CB 3.47Å; H289-S313 PolarHBondContact NE2-OG 3.46Å
290	L	91.1	Very high	91.3	Very high	25 Å²	25	22.6 Å²	22.6	13%	0.131	12%	0.12	C	C	.	.	S	Bend	trans	-84.1	56.9	176.2	-167.4	71.5	0	0	0	111	A253 Q254 D257 V288 G315 R706	A253-L290 HydrophobicContact CB-CB 4.07Å; A253-L290 HydrophobicContact CB-CD1 3.77Å; Q254-L290 HydrophobicContact CG-CD1 3.89Å; D257-L290 HydrophobicContact CB-CD2 3.9Å; V288-L290 PolarHBondContact O-N 3.16Å; L290-G315 WeakPolarHBondContact CB-O 3.26Å; L290-G315 PolarHBondContact N-O 3.45Å; L290-R706 VanDerWaalsContact CD2-NH2 3.27Å
291	G	90	Very high	91	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.031	11%	0.11	C	C	.	.	S	Bend	trans	-165.5	-158.3	-176.8	0	0	0	0	0	109.7	H289	H289-G291 PolarHBondContact O-N 2.73Å
292	S	91.6	Very high	90.4	Very high	12 Å²	12	16.3 Å²	16.3	8%	0.084	9%	0.086	C	C	.	.	S	Bend	trans	-149.1	159.2	171.4	-174	0	0	0	0	108.6	H289 G450 T455 P538	H289-S292 PolarHBondContact CE1-N 3.35Å; S292-G450 VanDerWaalsContact CA-O 3.23Å; S292-G450 WeakPolarHBondContact CA-O 3.41Å; S292-G450 WeakPolarHBondContact CB-O 3.34Å; S292-G450 PolarHBondContact OG-O 3.36Å; S292-T455 PolarHBondContact OG-OG1 2.81Å; S292-P538 VanDerWaalsContact OG-CG 3.22Å; S292-P538 WeakPolarHBondContact OG-CG 3.47Å
293	G	92.3	Very high	89.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	88	-179.9	-173	0	0	0	0	0	112.5	P295 G450	G293-P295 WeakPolarHBondContact O-CD 3.36Å; G293-G450 PolarHBondContact N-O 2.68Å
294	D	92.3	Very high	88.3	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.102	C	C	.	.			trans	-64.6	119	168.9	-175.6	-25.6	0	0	0	108.7	V180 Q181 Y296 T297 V452 E456	V180-D294 VanDerWaalsContact CA-OD2 3.23Å; V180-D294 WeakPolarHBondContact CA-OD2 3.28Å; V180-D294 HydrophobicContact CB-CB 4.47Å; V180-D294 WeakPolarHBondContact CB-OD2 3.44Å; V180-D294 HydrophobicContact CG1-CB 4.27Å; Q181-D294 PolarHBondContact N-OD2 3.42Å; D294-Y296 PolarHBondContact O-N 3.14Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.23Å; D294-Y296 WeakPolarHBondContact OD1-CD2 3.29Å; D294-Y296 PolarHBondContact OD1-N 3.44Å; D294-T297 WeakPolarHBondContact CB-OG1 3.29Å; D294-T297 PolarHBondContact O-N 3.29Å; D294-V452 HydrophobicContact CB-CG1 4.24Å; D294-E456 VanDerWaalsContact CB-OE1 3.32Å; D294-E456 WeakPolarHBondContact CB-OE1 3.32Å; D294-E456 PolarHBondContact N-OE1 3.26Å
295	P	90.3	Very high	86.4	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-1.6	-178.5	28.1	-32.9	0	0	0	113.7	Y208 G293 E312 S313 L316	Y208-P295 HydrophobicContact CD1-CG 3.66Å; Y208-P295 HydrophobicContact CE1-CG 3.43Å; Y208-P295 VanDerWaalsContact CE1-CG 3.43Å; Y208-P295 HydrophobicContact CE2-CG 4.4Å; Y208-P295 HydrophobicContact CG-CG 4.24Å; G293-P295 WeakPolarHBondContact O-CD 3.36Å; P295-E312 CarbonylContact O-C 3.53Å; P295-E312 WeakPolarHBondContact O-CA 3.34Å; P295-S313 WeakPolarHBondContact O-CB 3.42Å; P295-S313 PolarHBondContact O-N 3.19Å; P295-L316 HydrophobicContact CB-CD1 4.15Å; P295-L316 HydrophobicContact CB-CD2 3.7Å; P295-L316 HydrophobicContact CB-CG 3.91Å; P295-L316 HydrophobicContact CG-CD2 4.01Å
296	Y	88.4	Confident	84.5	Confident	24 Å²	24	24.5 Å²	24.5	9%	0.094	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-1.4	180	-57.8	-75.5	0	0	0	113.5	Q181 Y208 D294 P310 T311 E312 L316 L372	Q181-Y296 HydrophobicContact CB-CD2 3.67Å; Q181-Y296 HydrophobicContact CB-CE2 4.18Å; Q181-Y296 HydrophobicContact CB-CG 4.48Å; Y208-Y296 HydrophobicContact CD1-CE2 4.48Å; Y208-Y296 HydrophobicContact CE1-CE2 4.5Å; D294-Y296 PolarHBondContact O-N 3.14Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.23Å; D294-Y296 WeakPolarHBondContact OD1-CD2 3.29Å; D294-Y296 PolarHBondContact OD1-N 3.44Å; Y296-P310 HydrophobicContact CD1-CB 4.48Å; Y296-P310 WeakPolarHBondContact O-CA 3.44Å; Y296-T311 CarbonylContact C-O 3.6Å; Y296-T311 VanDerWaalsContact C-O 3.23Å; Y296-T311 WeakPolarHBondContact CA-O 3.37Å; Y296-T311 PolarHBondContact O-N 3.41Å; Y296-E312 HydrophobicContact CD1-CG 4.13Å; Y296-E312 HydrophobicContact CE1-CG 4.29Å; Y296-L316 HydrophobicContact CE1-CD1 3.86Å; Y296-L372 HydrophobicContact CE1-CD1 4.18Å; Y296-L372 HydrophobicContact CE2-CD1 3.97Å; Y296-L372 HydrophobicContact CE2-CD2 3.51Å; Y296-L372 HydrophobicContact CE2-CG 4.4Å; Y296-L372 WeakPolarHBondContact OH-CD2 3.35Å
297	T	86.7	Confident	82.6	Confident	8 Å²	8	27.2 Å²	27.2	5%	0.049	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-132.7	36.3	174.7	58.2	0	0	0	0	111.9	D294 G299 F300 S302	D294-T297 WeakPolarHBondContact CB-OG1 3.29Å; D294-T297 PolarHBondContact O-N 3.29Å; T297-G299 PolarHBondContact O-N 3.41Å; T297-G299 VanDerWaalsContact O-N 3.14Å; T297-F300 HydrophobicContact CG2-CE2 3.9Å; T297-F300 HydrophobicContact CG2-CZ 4.23Å; T297-F300 PolarHBondContact O-N 3.49Å; T297-S302 WeakPolarHBondContact OG1-CB 3.41Å
298	T	82.9	Confident	81	Confident	4 Å²	4	30 Å²	30	3%	0.025	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	123.3	-173.4	-57.8	0	0	0	0	112.6	S313	T298-S313 WeakPolarHBondContact OG1-CB 3.39Å
299	G	79.6	Confident	79.5	Confident	19 Å²	19	33.9 Å²	33.9	20%	0.196	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	0.7	175.2	0	0	0	0	0	115.3	T297 E459	T297-G299 PolarHBondContact O-N 3.41Å; T297-G299 VanDerWaalsContact O-N 3.14Å; G299-E459 WeakPolarHBondContact CA-OE1 3.47Å; G299-E459 PolarHBondContact N-OE1 2.8Å
300	F	83.7	Confident	78.6	Confident	59 Å²	59	37.8 Å²	37.8	26%	0.259	22%	0.217	S	C	.	.	S	Bend	trans	-151.2	145.8	172.8	59.9	-88.4	0	0	0	110.7	T297 S302 F303 E459	T297-F300 HydrophobicContact CG2-CE2 3.9Å; T297-F300 HydrophobicContact CG2-CZ 4.23Å; T297-F300 PolarHBondContact O-N 3.49Å; F300-S302 PolarHBondContact O-N 2.92Å; F300-F303 HydrophobicContact CD2-CD2 4.42Å; F300-F303 HydrophobicContact CD2-CE2 4.04Å; F300-E459 PolarHBondContact N-OE2 3.4Å; F300-E459 VanDerWaalsContact O-OE2 3.06Å
301	P	85.1	Confident	77.9	Confident	22 Å²	22	38.8 Å²	38.8	14%	0.143	23%	0.225	C	C	.	.			trans	-54.5	141.9	-179.1	-25.5	33.6	0	0	0	113	F303 E459 G460	P301-F303 HydrophobicContact CB-CE1 4.18Å; P301-F303 HydrophobicContact CB-CZ 4.02Å; P301-F303 HydrophobicContact CG-CZ 4.49Å; P301-F303 WeakPolarHBondContact O-CD2 3.29Å; P301-F303 WeakPolarHBondContact O-CE2 3.36Å; P301-F303 VanDerWaalsContact O-CZ 3.25Å; P301-F303 WeakPolarHBondContact O-CZ 3.4Å; P301-E459 HydrophobicContact CG-CB 4.26Å; P301-G460 VanDerWaalsContact CG-N 3.34Å
302	S	82.3	Confident	77.6	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.021	26%	0.255	C	S	.	.			trans	-65.6	136.4	174.7	52.7	0	0	0	0	111.4	Y179 V180 T297 F300 E456	Y179-S302 VanDerWaalsContact O-CB 3.31Å; Y179-S302 WeakPolarHBondContact O-CB 3.41Å; V180-S302 VanDerWaalsContact CG1-OG 3.27Å; V180-S302 WeakPolarHBondContact CG1-OG 3.31Å; T297-S302 WeakPolarHBondContact OG1-CB 3.41Å; F300-S302 PolarHBondContact O-N 2.92Å; S302-E456 WeakPolarHBondContact CB-OE2 3.24Å; S302-E456 PolarHBondContact N-OE2 3.34Å; S302-E456 PolarHBondContact OG-OE2 2.96Å
303	F	74.8	Confident	77.3	Confident	37 Å²	37	45.3 Å²	45.3	16%	0.162	25%	0.254	C	S	.	.			trans	-127.9	168.9	179.8	-53.4	-66.9	0	0	0	109.6	F20 F300 P301 H305 F308	F20-F303 HydrophobicContact CD2-CE1 4.21Å; F20-F303 HydrophobicContact CD2-CE2 4.32Å; F20-F303 HydrophobicContact CD2-CZ 4.03Å; F20-F303 HydrophobicContact CE2-CE1 4.24Å; F20-F303 AromaticContact CE2-CE2 3.76Å; F20-F303 HydrophobicContact CE2-CE2 3.76Å; F20-F303 AromaticContact CE2-CZ 3.6Å; F20-F303 HydrophobicContact CE2-CZ 3.6Å; F300-F303 HydrophobicContact CD2-CD2 4.42Å; F300-F303 HydrophobicContact CD2-CE2 4.04Å; P301-F303 HydrophobicContact CB-CE1 4.18Å; P301-F303 HydrophobicContact CB-CZ 4.02Å; P301-F303 HydrophobicContact CG-CZ 4.49Å; P301-F303 WeakPolarHBondContact O-CD2 3.29Å; P301-F303 WeakPolarHBondContact O-CE2 3.36Å; P301-F303 VanDerWaalsContact O-CZ 3.25Å; P301-F303 WeakPolarHBondContact O-CZ 3.4Å; F303-H305 PolarHBondContact O-N 2.85Å; F303-F308 HydrophobicContact CD2-CD2 4.25Å; F303-F308 HydrophobicContact CD2-CE2 4.21Å
304	N	69.3	Low	77	Confident	87 Å²	87	49 Å²	49	47%	0.465	29%	0.285	S	S	.	.			trans	-56.3	113.8	173.2	-165.3	-20.4	0	0	0	110.1	T306	N304-T306 PolarHBondContact O-N 2.94Å
305	H	56.6	Low	76.8	Confident	51 Å²	51	49.6 Å²	49.6	24%	0.236	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	15.8	-162.2	-59.8	-75.2	0	0	0	116.4	Y179 F303 N374	Y179-H305 PolarHBondContact O-CE1 2.88Å; Y179-H305 PolarHBondContact O-NE2 2.82Å; Y179-H305 VanDerWaalsContact O-NE2 3.13Å; F303-H305 PolarHBondContact O-N 2.85Å; H305-N374 PolarHBondContact CD2-OD1 2.89Å
306	T	54.5	Low	76.9	Confident	108 Å²	108	51 Å²	51	66%	0.663	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.4	174.8	58.9	0	0	0	0	113.3	N304	N304-T306 PolarHBondContact O-N 2.94Å
307	L	56.8	Low	77.2	Confident	61 Å²	61	50.9 Å²	50.9	32%	0.319	30%	0.3	S	S	.	.	S	Bend	trans	-109.1	-19.4	-166.7	-67.9	164.9	0	0	0	115	L22	L22-L307 HydrophobicContact CD1-CD1 4.31Å; L22-L307 HydrophobicContact CD2-CD1 3.93Å; L22-L307 HydrophobicContact CD2-CD2 4.41Å
308	F	61.4	Low	77.6	Confident	104 Å²	104	58.3 Å²	58.3	46%	0.456	33%	0.332	S	S	.	.	S	Bend	trans	-139.6	144.5	-176.6	-63.8	-79	0	0	0	111.9	F303	F303-F308 HydrophobicContact CD2-CD2 4.25Å; F303-F308 HydrophobicContact CD2-CE2 4.21Å
309	A	66.1	Low	78.3	Confident	83 Å²	83	58.9 Å²	58.9	69%	0.686	34%	0.335	S	S	*	.			trans	-67.9	139.1	171.2	0	0	0	0	0	109.9	T311	A309-T311 PolarHBondContact O-N 3.03Å
310	P	74.6	Confident	79.2	Confident	82 Å²	82	58.3 Å²	58.3	53%	0.532	33%	0.327	S	S	.	.			trans	-55	132.9	175.9	-26.3	34.9	0	0	0	111.7	Y296	Y296-P310 HydrophobicContact CD1-CB 4.48Å; Y296-P310 WeakPolarHBondContact O-CA 3.44Å
311	T	77.4	Confident	79.9	Confident	47 Å²	47	55.5 Å²	55.5	29%	0.288	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-101.7	95.1	169.3	-58.9	0	0	0	0	107.5	Y296 A309 S313 V695	Y296-T311 CarbonylContact C-O 3.6Å; Y296-T311 VanDerWaalsContact C-O 3.23Å; Y296-T311 WeakPolarHBondContact CA-O 3.37Å; Y296-T311 PolarHBondContact O-N 3.41Å; A309-T311 PolarHBondContact O-N 3.03Å; T311-S313 PolarHBondContact O-N 3.13Å; T311-V695 HydrophobicContact CG2-CG1 3.98Å
312	E	83.4	Confident	80.5	Confident	142 Å²	142	54.4 Å²	54.4	66%	0.664	31%	0.308	S	S	*	.			trans	-65.6	127.6	-178.9	-69.6	-172.8	179.5	0	0	111.4	P295 Y296 A314 L316	P295-E312 CarbonylContact O-C 3.53Å; P295-E312 WeakPolarHBondContact O-CA 3.34Å; Y296-E312 HydrophobicContact CD1-CG 4.13Å; Y296-E312 HydrophobicContact CE1-CG 4.29Å; E312-A314 PolarHBondContact O-N 2.81Å; E312-L316 HydrophobicContact CB-CD1 4.3Å; E312-L316 HydrophobicContact CG-CD1 4.49Å
313	S	85.9	Confident	81.3	Confident	10 Å²	10	54.3 Å²	54.3	7%	0.07	31%	0.307	C	S	.	.			trans	-63.6	133.2	175.5	-171.1	0	0	0	0	110.4	H289 P295 T298 T311 G315 L316	H289-S313 WeakPolarHBondContact NE2-CB 3.47Å; H289-S313 PolarHBondContact NE2-OG 3.46Å; P295-S313 WeakPolarHBondContact O-CB 3.42Å; P295-S313 PolarHBondContact O-N 3.19Å; T298-S313 WeakPolarHBondContact OG1-CB 3.39Å; T311-S313 PolarHBondContact O-N 3.13Å; S313-G315 PolarHBondContact O-N 3.04Å; S313-G315 PolarHBondContact OG-N 3.02Å; S313-L316 PolarHBondContact O-N 3.36Å; S313-L316 VanDerWaalsContact O-N 3.09Å
314	A	84.4	Confident	82.4	Confident	78 Å²	78	52.7 Å²	52.7	65%	0.645	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.5	171.1	0	0	0	0	0	113.2	E312	E312-A314 PolarHBondContact O-N 2.81Å
315	G	88.3	Confident	83.7	Confident	13 Å²	13	49 Å²	49	13%	0.134	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.2	177.3	0	0	0	0	0	115.4	L290 S313	L290-G315 WeakPolarHBondContact CB-O 3.26Å; L290-G315 PolarHBondContact N-O 3.45Å; S313-G315 PolarHBondContact O-N 3.04Å; S313-G315 PolarHBondContact OG-N 3.02Å
316	L	92.7	Very high	85.6	Confident	30 Å²	30	46.8 Å²	46.8	16%	0.157	27%	0.271	C	S	.	.	S	Bend	trans	-70.2	137.7	175.9	-76.5	171.6	0	0	0	111.3	Y208 P295 Y296 E312 S313	Y208-L316 HydrophobicContact CD1-CD2 4.47Å; Y208-L316 HydrophobicContact CG-CD2 4.29Å; P295-L316 HydrophobicContact CB-CD1 4.15Å; P295-L316 HydrophobicContact CB-CD2 3.7Å; P295-L316 HydrophobicContact CB-CG 3.91Å; P295-L316 HydrophobicContact CG-CD2 4.01Å; Y296-L316 HydrophobicContact CE1-CD1 3.86Å; E312-L316 HydrophobicContact CB-CD1 4.3Å; E312-L316 HydrophobicContact CG-CD1 4.49Å; S313-L316 PolarHBondContact O-N 3.36Å; S313-L316 VanDerWaalsContact O-N 3.09Å
317	P	94.8	Very high	87.6	Confident	21 Å²	21	43.1 Å²	43.1	14%	0.136	25%	0.25	C	S	.	.			trans	-70.6	142.3	-178.4	31.6	-37.5	0	0	0	111.7	Y208 V256 V288	Y208-P317 WeakPolarHBondContact O-CD 3.42Å; Y208-P317 WeakPolarHBondContact O-CG 2.84Å; V256-P317 HydrophobicContact CG1-CB 3.59Å; V288-P317 HydrophobicContact CB-CG 4.33Å; V288-P317 HydrophobicContact CG2-CG 3.73Å
318	K	94.6	Very high	89.5	Confident	163 Å²	163	41.1 Å²	41.1	71%	0.709	24%	0.242	S	C	*	.	S	Bend	trans	-91.8	-4.1	179.6	-62.2	-178.2	-178.2	179.1	0	113.8	K210	K210-K318 VanDerWaalsContact CD-C 3.46Å; K210-K318 WeakPolarHBondContact CD-O 3.49Å; K210-K318 PolarHBondContact NZ-O 3.39Å; K210-K318 VanDerWaalsContact NZ-O 3.08Å
319	I	98	Very high	91.1	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.087	22%	0.22	C	C	.	.	S	Bend	trans	-131	150.4	-175.7	62.6	174.6	0	0	0	110.2	V256 A259 A260 A264 V267	V256-I319 HydrophobicContact CG1-CD1 4.22Å; V256-I319 HydrophobicContact CG1-CG1 3.81Å; A259-I319 HydrophobicContact CB-CD1 4.21Å; A260-I319 HydrophobicContact CB-CD1 3.9Å; A260-I319 HydrophobicContact CB-CG1 4.18Å; A260-I319 HydrophobicContact CB-CG2 4.4Å; A264-I319 HydrophobicContact CB-CD1 4.48Å; A264-I319 WeakPolarHBondContact O-CG2 3.4Å; V267-I319 HydrophobicContact CG2-CD1 3.86Å
320	P	98.4	Very high	92.6	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.039	19%	0.194	C	C	.	.			trans	-62.4	141.6	172.5	-22.7	34.5	0	0	0	112.1	K210 V214 S265 A266 V267 V368	K210-P320 WeakPolarHBondContact O-CA 3.19Å; K210-P320 WeakPolarHBondContact O-CB 3.35Å; V214-P320 HydrophobicContact CG1-CG 4.1Å; V214-P320 HydrophobicContact CG2-CG 4.17Å; S265-P320 WeakPolarHBondContact O-CD 3.3Å; A266-P320 CarbonylContact C-O 3.56Å; A266-P320 WeakPolarHBondContact CA-O 3.42Å; A266-P320 HydrophobicContact CB-CB 4.27Å; A266-P320 WeakPolarHBondContact CB-O 3.43Å; V267-P320 PolarHBondContact N-O 3.24Å; P320-V368 HydrophobicContact CB-CB 4.26Å; P320-V368 HydrophobicContact CB-CG2 3.87Å
321	A	98.4	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.1	175.1	0	0	0	0	0	110	L206 S209 V256 V267 V288	L206-A321 HydrophobicContact CD1-CB 3.76Å; S209-A321 VanDerWaalsContact CB-O 3.28Å; S209-A321 WeakPolarHBondContact CB-O 3.48Å; S209-A321 PolarHBondContact OG-N 2.81Å; S209-A321 PolarHBondContact OG-O 3.03Å; V256-A321 HydrophobicContact CG1-CB 4.29Å; V256-A321 HydrophobicContact CG2-CB 3.52Å; V267-A321 HydrophobicContact CB-CB 4.32Å; V267-A321 CarbonylContact O-C 3.52Å; V267-A321 VanDerWaalsContact O-CA 3.26Å; V267-A321 WeakPolarHBondContact O-CA 3.47Å; V288-A321 HydrophobicContact CG1-CB 4.19Å
322	Q	98.4	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.9	-176.8	178.7	53.9	56.1	0	0	111.1	N191 P202 G204 V267 L268 I269 V366 V368	N191-Q322 PolarHBondContact ND2-OE1 2.87Å; P202-Q322 HydrophobicContact CB-CG 4.47Å; P202-Q322 HydrophobicContact CG-CG 4.01Å; G204-Q322 PolarHBondContact O-NE2 3.25Å; V267-Q322 PolarHBondContact O-N 2.88Å; L268-Q322 CarbonylContact C-O 3.48Å; L268-Q322 VanDerWaalsContact CA-O 3.25Å; L268-Q322 WeakPolarHBondContact CA-O 3.21Å; L268-Q322 HydrophobicContact CD2-CB 3.93Å; L268-Q322 HydrophobicContact CD2-CG 4.46Å; I269-Q322 PolarHBondContact N-O 3.45Å; Q322-V366 HydrophobicContact CB-CG1 4.37Å; Q322-V368 HydrophobicContact CB-CG2 4.11Å
323	T	98.1	Very high	95	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	148.4	169.6	54.4	0	0	0	0	111.1	P202 G204 Y205 L206 I269 L284	P202-T323 VanDerWaalsContact CB-O 3.29Å; P202-T323 WeakPolarHBondContact CB-O 3.28Å; G204-T323 VanDerWaalsContact C-OG1 3.22Å; Y205-T323 PolarHBondContact N-OG1 3.38Å; L206-T323 HydrophobicContact CD1-CG2 4.03Å; L206-T323 HydrophobicContact CD2-CG2 3.49Å; L206-T323 VanDerWaalsContact CD2-CG2 3.49Å; L206-T323 HydrophobicContact CG-CG2 3.58Å; I269-T323 HydrophobicContact CB-CG2 4.49Å; I269-T323 CarbonylContact O-C 3.54Å; I269-T323 VanDerWaalsContact O-CA 3.25Å; I269-T323 WeakPolarHBondContact O-CA 3.31Å; L284-T323 HydrophobicContact CB-CG2 4.11Å; L284-T323 HydrophobicContact CD2-CG2 4Å; L284-T323 HydrophobicContact CG-CG2 3.97Å; L284-T323 WeakPolarHBondContact O-CB 3.17Å; L284-T323 WeakPolarHBondContact O-CG2 3.18Å; L284-T323 PolarHBondContact O-OG1 2.91Å
324	I	97.9	Very high	95.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	16%	0.16	C	C	.	.			trans	-135.7	158.5	172	66	175.7	0	0	0	109.7	V193 P202 L244 L268 I269 Y270 A329 L332	V193-I324 HydrophobicContact CG2-CG2 4.46Å; P202-I324 HydrophobicContact CG-CG2 4.05Å; L244-I324 HydrophobicContact CD1-CD1 3.79Å; L268-I324 HydrophobicContact CB-CD1 4.41Å; L268-I324 HydrophobicContact CD1-CD1 4.48Å; L268-I324 HydrophobicContact CD2-CG2 4.21Å; I269-I324 PolarHBondContact O-N 3.42Å; Y270-I324 WeakPolarHBondContact CA-O 3.44Å; Y270-I324 WeakPolarHBondContact CB-O 3.16Å; I324-A329 HydrophobicContact CD1-CB 4.02Å; I324-A329 HydrophobicContact CG1-CB 4.46Å; I324-L332 HydrophobicContact CD1-CD1 3.63Å
325	T	97.3	Very high	95.8	Very high	9 Å²	9	28 Å²	28	6%	0.055	15%	0.148	C	C	.	.			trans	-69	159.4	175.5	63.4	0	0	0	0	111.7	T280 E283 S327 S328 A329	T280-T325 WeakPolarHBondContact O-CB 3.46Å; E283-T325 VanDerWaalsContact CD-CG2 3.41Å; E283-T325 VanDerWaalsContact OE1-CG2 3.28Å; E283-T325 WeakPolarHBondContact OE1-CG2 3.43Å; E283-T325 WeakPolarHBondContact OE2-CG2 3.39Å; T325-S327 PolarHBondContact O-N 2.77Å; T325-S327 PolarHBondContact OG1-OG 3.35Å; T325-S328 WeakPolarHBondContact O-CB 3.47Å; T325-S328 PolarHBondContact O-N 3.44Å; T325-S328 VanDerWaalsContact OG1-CB 3.27Å; T325-S328 WeakPolarHBondContact OG1-CB 3.42Å; T325-S328 PolarHBondContact OG1-N 2.95Å; T325-S328 VanDerWaalsContact OG1-N 3.09Å; T325-S328 PolarHBondContact OG1-OG 3.43Å; T325-A329 PolarHBondContact O-N 3.19Å
326	A	96.1	Very high	95.9	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-35.8	173.9	0	0	0	0	0	111.5	L271 T280 A329 T330 L351	L271-A326 VanDerWaalsContact O-CB 3.22Å; L271-A326 WeakPolarHBondContact O-CB 3.34Å; T280-A326 HydrophobicContact CG2-CB 4.3Å; T280-A326 WeakPolarHBondContact O-CB 3.44Å; T280-A326 PolarHBondContact O-N 3.13Å; A326-A329 PolarHBondContact O-N 3.33Å; A326-T330 PolarHBondContact O-N 3.12Å; A326-T330 PolarHBondContact O-OG1 2.97Å; A326-T330 VanDerWaalsContact O-OG1 3.06Å; A326-L351 HydrophobicContact CB-CD2 4Å
327	S	95.9	Very high	95.8	Very high	31 Å²	31	27.1 Å²	27.1	22%	0.217	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-44.2	173.8	53.7	0	0	0	0	112.3	T280 D281 T325 T330 T331	T280-S327 PolarHBondContact O-N 3.31Å; D281-S327 WeakPolarHBondContact OD1-CB 3.36Å; D281-S327 PolarHBondContact OD1-OG 3.06Å; T325-S327 PolarHBondContact O-N 2.77Å; T325-S327 PolarHBondContact OG1-OG 3.35Å; S327-T330 WeakPolarHBondContact O-CB 3.48Å; S327-T330 PolarHBondContact O-N 2.82Å; S327-T331 PolarHBondContact O-N 3.17Å; S327-T331 VanDerWaalsContact O-N 3.11Å; S327-T331 PolarHBondContact O-OG1 2.75Å
328	S	96.5	Very high	95.6	Very high	20 Å²	20	27.8 Å²	27.8	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-46.5	174	-67.2	0	0	0	0	111.2	I200 T325 T330 T331 L332	I200-S328 VanDerWaalsContact CG2-OG 3.31Å; I200-S328 WeakPolarHBondContact CG2-OG 3.48Å; T325-S328 WeakPolarHBondContact O-CB 3.47Å; T325-S328 PolarHBondContact O-N 3.44Å; T325-S328 VanDerWaalsContact OG1-CB 3.27Å; T325-S328 WeakPolarHBondContact OG1-CB 3.42Å; T325-S328 PolarHBondContact OG1-N 2.95Å; T325-S328 VanDerWaalsContact OG1-N 3.09Å; T325-S328 PolarHBondContact OG1-OG 3.43Å; S328-T330 VanDerWaalsContact C-N 3.32Å; S328-T330 PolarHBondContact O-N 2.91Å; S328-T331 WeakPolarHBondContact O-CB 3.38Å; S328-T331 PolarHBondContact O-N 3.26Å; S328-L332 WeakPolarHBondContact O-CG 3.33Å; S328-L332 PolarHBondContact O-N 3.03Å; S328-L332 VanDerWaalsContact O-N 3.07Å
329	A	96.8	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-38	176.3	0	0	0	0	0	112.5	Y270 I324 T325 A326 L332 L333 L351	Y270-A329 HydrophobicContact CD1-CB 3.76Å; Y270-A329 HydrophobicContact CD2-CB 3.46Å; Y270-A329 VanDerWaalsContact CD2-CB 3.46Å; Y270-A329 HydrophobicContact CE1-CB 4.15Å; Y270-A329 HydrophobicContact CE2-CB 3.89Å; Y270-A329 HydrophobicContact CG-CB 3.38Å; I324-A329 HydrophobicContact CD1-CB 4.02Å; I324-A329 HydrophobicContact CG1-CB 4.46Å; T325-A329 PolarHBondContact O-N 3.19Å; A326-A329 PolarHBondContact O-N 3.33Å; A329-L332 PolarHBondContact O-N 3.46Å; A329-L333 WeakPolarHBondContact O-CB 3.31Å; A329-L333 WeakPolarHBondContact O-CG 3.35Å; A329-L333 PolarHBondContact O-N 3.23Å; A329-L351 HydrophobicContact CB-CD1 4.37Å
330	T	95.9	Very high	94.7	Very high	24 Å²	24	27.7 Å²	27.7	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-47.8	172.5	-66.2	0	0	0	0	111.3	A326 S327 S328 L332 L333 M334 V354	A326-T330 PolarHBondContact O-N 3.12Å; A326-T330 PolarHBondContact O-OG1 2.97Å; A326-T330 VanDerWaalsContact O-OG1 3.06Å; S327-T330 WeakPolarHBondContact O-CB 3.48Å; S327-T330 PolarHBondContact O-N 2.82Å; S328-T330 VanDerWaalsContact C-N 3.32Å; S328-T330 PolarHBondContact O-N 2.91Å; T330-L332 VanDerWaalsContact C-N 3.32Å; T330-L332 PolarHBondContact O-N 3.28Å; T330-L333 PolarHBondContact O-N 3.04Å; T330-M334 HydrophobicContact CG2-CE 3.56Å; T330-M334 HydrophobicContact CG2-CG 4.48Å; T330-M334 HydrophobicContact CG2-SD 4.06Å; T330-M334 WeakPolarHBondContact O-CB 3.41Å; T330-M334 VanDerWaalsContact O-CG 3.29Å; T330-M334 WeakPolarHBondContact O-CG 3.5Å; T330-M334 PolarHBondContact O-N 2.66Å; T330-V354 HydrophobicContact CG2-CG2 3.73Å
331	T	95	Very high	94	Very high	52 Å²	52	28.3 Å²	28.3	32%	0.319	17%	0.167	S	C	.	.	H	α-helix	trans	-60	-42.6	177.5	-57.7	0	0	0	0	112	D198 S327 S328	D198-T331 VanDerWaalsContact OD2-CG2 3.31Å; D198-T331 WeakPolarHBondContact OD2-CG2 3.02Å; S327-T331 PolarHBondContact O-N 3.17Å; S327-T331 VanDerWaalsContact O-N 3.11Å; S327-T331 PolarHBondContact O-OG1 2.75Å; S328-T331 WeakPolarHBondContact O-CB 3.38Å; S328-T331 PolarHBondContact O-N 3.26Å
332	L	96	Very high	93	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-50.5	177.2	-64.3	-177.1	0	0	0	111.7	F195 I200 L218 L244 L268 I324 S328 A329 T330 M334 K335 I336 I364	F195-L332 HydrophobicContact CB-CD2 3.63Å; F195-L332 HydrophobicContact CD1-CD2 3.43Å; F195-L332 VanDerWaalsContact CD1-CD2 3.43Å; F195-L332 HydrophobicContact CD2-CD2 4.45Å; F195-L332 HydrophobicContact CE1-CD2 4.11Å; F195-L332 HydrophobicContact CG-CD2 3.6Å; I200-L332 HydrophobicContact CD1-CD1 4.48Å; I200-L332 HydrophobicContact CD1-CD2 4.03Å; I200-L332 HydrophobicContact CD1-CG 4.2Å; L218-L332 HydrophobicContact CD2-CB 4Å; L218-L332 HydrophobicContact CD2-CD2 4.46Å; L244-L332 HydrophobicContact CD2-CB 4.42Å; L268-L332 HydrophobicContact CD1-CD1 4Å; I324-L332 HydrophobicContact CD1-CD1 3.63Å; S328-L332 WeakPolarHBondContact O-CG 3.33Å; S328-L332 PolarHBondContact O-N 3.03Å; S328-L332 VanDerWaalsContact O-N 3.07Å; A329-L332 PolarHBondContact O-N 3.46Å; T330-L332 VanDerWaalsContact C-N 3.32Å; T330-L332 PolarHBondContact O-N 3.28Å; L332-M334 VanDerWaalsContact C-N 3.33Å; L332-M334 PolarHBondContact O-N 2.69Å; L332-K335 PolarHBondContact O-N 3.35Å; L332-K335 VanDerWaalsContact O-N 3.08Å; L332-I336 WeakPolarHBondContact O-CB 3.32Å; L332-I336 PolarHBondContact O-N 2.99Å; L332-I364 HydrophobicContact CD1-CD1 3.93Å; L332-I364 HydrophobicContact CD2-CD1 3.79Å
333	L	94.9	Very high	91.2	Very high	3 Å²	3	40 Å²	40	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-29.4	-175.9	-73	166.3	0	0	0	113.3	Y220 L244 A329 T330 K335 I336 L351 V354 Y356	Y220-L333 HydrophobicContact CD2-CD2 4.12Å; Y220-L333 HydrophobicContact CG-CD2 4.2Å; L244-L333 HydrophobicContact CD2-CD1 4.26Å; L244-L333 HydrophobicContact CD2-CD2 3.77Å; L244-L333 HydrophobicContact CD2-CG 3.72Å; A329-L333 WeakPolarHBondContact O-CB 3.31Å; A329-L333 WeakPolarHBondContact O-CG 3.35Å; A329-L333 PolarHBondContact O-N 3.23Å; T330-L333 PolarHBondContact O-N 3.04Å; L333-K335 PolarHBondContact O-N 3.35Å; L333-I336 HydrophobicContact CD2-CG2 4.5Å; L333-I336 WeakPolarHBondContact O-CG2 3.35Å; L333-L351 HydrophobicContact CD1-CD1 3.77Å; L333-V354 HydrophobicContact CB-CG1 3.52Å; L333-V354 HydrophobicContact CB-CG2 4.39Å; L333-V354 HydrophobicContact CD1-CG1 4.05Å; L333-V354 HydrophobicContact CG-CG1 4.35Å; L333-Y356 HydrophobicContact CD1-CD1 4.27Å; L333-Y356 HydrophobicContact CD1-CE1 3.92Å
334	M	93.6	Very high	89.4	Confident	103 Å²	103	47.7 Å²	47.7	51%	0.507	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-28.4	172.9	-77.6	176.5	174.3	0	0	112.8	T330 L332 S353 V354	T330-M334 HydrophobicContact CG2-CE 3.56Å; T330-M334 HydrophobicContact CG2-CG 4.48Å; T330-M334 HydrophobicContact CG2-SD 4.06Å; T330-M334 WeakPolarHBondContact O-CB 3.41Å; T330-M334 VanDerWaalsContact O-CG 3.29Å; T330-M334 WeakPolarHBondContact O-CG 3.5Å; T330-M334 PolarHBondContact O-N 2.66Å; L332-M334 VanDerWaalsContact C-N 3.33Å; L332-M334 PolarHBondContact O-N 2.69Å; M334-S353 VanDerWaalsContact CE-CB 3.49Å; M334-S353 VanDerWaalsContact CE-O 3.28Å; M334-S353 WeakPolarHBondContact CE-O 3.49Å; M334-V354 HydrophobicContact CG-CG2 4.35Å
335	K	93.4	Very high	88.4	Confident	89 Å²	89	49 Å²	49	39%	0.387	28%	0.28	S	S	.	.	H	α-helix	trans	-104	-23.3	-172.5	-73.6	177.8	-173.2	-175.2	0	112.8	F195 D198 L332 L333 G337 Q362	F195-K335 HydrophobicContact CD1-CB 4.41Å; F195-K335 HydrophobicContact CD1-CD 4.44Å; F195-K335 HydrophobicContact CE1-CB 3.57Å; F195-K335 HydrophobicContact CE1-CD 4.37Å; F195-K335 HydrophobicContact CZ-CB 4.37Å; D198-K335 VanDerWaalsContact CG-NZ 3.28Å; D198-K335 IonicContact OD1-NZ 3.4Å; D198-K335 PolarHBondContact OD1-NZ 3.01Å; D198-K335 IonicContact OD2-NZ 3.19Å; D198-K335 PolarHBondContact OD2-NZ 3.17Å; L332-K335 PolarHBondContact O-N 3.35Å; L332-K335 VanDerWaalsContact O-N 3.08Å; L333-K335 PolarHBondContact O-N 3.35Å; K335-G337 VanDerWaalsContact C-N 3.26Å; K335-G337 PolarHBondContact O-N 2.71Å; K335-Q362 PolarHBondContact O-NE2 3.45Å; K335-Q362 PolarHBondContact O-OE1 2.95Å
336	I	92.1	Very high	87.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.298	C	S	.	.			trans	-52.5	-27.4	-169.5	-158.9	-179	0	0	0	116.6	L218 L332 L333 K357 S361	L218-I336 HydrophobicContact CB-CD1 4.44Å; L218-I336 HydrophobicContact CB-CG1 4.19Å; L218-I336 HydrophobicContact CD2-CB 4.24Å; L218-I336 HydrophobicContact CD2-CD1 3.89Å; L218-I336 HydrophobicContact CD2-CG1 3.7Å; L218-I336 HydrophobicContact CG-CD1 3.65Å; L218-I336 HydrophobicContact CG-CG1 3.77Å; L332-I336 WeakPolarHBondContact O-CB 3.32Å; L332-I336 PolarHBondContact O-N 2.99Å; L333-I336 HydrophobicContact CD2-CG2 4.5Å; L333-I336 WeakPolarHBondContact O-CG2 3.35Å; I336-K357 HydrophobicContact CG2-CB 4.11Å; I336-S361 PolarHBondContact O-OG 3Å
337	G	89.8	Confident	87.5	Confident	23 Å²	23	52.7 Å²	52.7	24%	0.237	30%	0.298	C	S	.	.			trans	62.3	-158.9	-178.8	0	0	0	0	0	114.1	K335 K357 G359	K335-G337 VanDerWaalsContact C-N 3.26Å; K335-G337 PolarHBondContact O-N 2.71Å; G337-K357 WeakPolarHBondContact O-CB 3.32Å; G337-G359 VanDerWaalsContact O-CA 3.26Å; G337-G359 WeakPolarHBondContact O-CA 3.32Å; G337-G359 PolarHBondContact O-N 2.55Å; G337-G359 VanDerWaalsContact O-N 3.12Å
338	G	90.2	Very high	87.2	Confident	36 Å²	36	56.9 Å²	56.9	37%	0.371	31%	0.313	S	S	.	.	S	Bend	trans	81.8	-173.2	176	0	0	0	0	0	115.6	E340	G338-E340 PolarHBondContact O-N 2.84Å
339	P	90.3	Very high	86.8	Confident	60 Å²	60	56.3 Å²	56.3	39%	0.39	31%	0.309	S	S	.	.	S	Bend	trans	-60.1	134.5	-177.7	-22.5	32.9	0	0	0	112	V236 K357 L358	V236-P339 HydrophobicContact CG2-CG 4.17Å; P339-K357 WeakPolarHBondContact O-CA 3.48Å; P339-L358 PolarHBondContact O-N 2.87Å
340	E	84.1	Confident	86.6	Confident	117 Å²	117	61.3 Å²	61.3	55%	0.547	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-72.4	144.7	174.5	-57.1	-161	162.3	0	0	110.7	G338 K357	G338-E340 PolarHBondContact O-N 2.84Å; E340-K357 HydrophobicContact CG-CD 4.14Å; E340-K357 HydrophobicContact CG-CG 4.14Å; E340-K357 WeakPolarHBondContact OE1-CE 3.47Å; E340-K357 IonicContact OE1-NZ 2.61Å; E340-K357 PolarHBondContact OE1-NZ 2.82Å
341	V	83	Confident	86.3	Confident	20 Å²	20	60.6 Å²	60.6	12%	0.121	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-82	135.6	174	176	0	0	0	0	108.6	S345 F347 Y356 L358	V341-S345 WeakPolarHBondContact CG1-OG 3.46Å; V341-F347 HydrophobicContact CB-CB 4.45Å; V341-F347 HydrophobicContact CG1-CB 3.33Å; V341-F347 HydrophobicContact CG1-CG 4.27Å; V341-F347 HydrophobicContact CG2-CB 4.34Å; V341-Y356 WeakPolarHBondContact CB-O 3.25Å; V341-Y356 WeakPolarHBondContact CG2-O 3.42Å; V341-Y356 PolarHBondContact N-O 3.18Å; V341-L358 HydrophobicContact CG2-CD2 3.64Å; V341-L358 HydrophobicContact CG2-CG 3.93Å
342	E	76.6	Confident	86	Confident	133 Å²	133	66.6 Å²	66.6	62%	0.621	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-57.9	139.8	177.2	-70.6	171.2	-147.8	0	0	111.8	N344 S345	E342-N344 PolarHBondContact O-N 3.3Å; E342-N344 VanDerWaalsContact O-N 3.13Å; E342-S345 WeakPolarHBondContact O-CB 3.48Å; E342-S345 PolarHBondContact O-N 3.43Å; E342-S345 VanDerWaalsContact O-N 3.1Å; E342-S345 PolarHBondContact O-OG 2.71Å
343	T	61.6	Low	85.5	Confident	111 Å²	111	71.8 Å²	71.8	68%	0.681	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.1	-171.6	33.9	0	0	0	0	114.9
344	N	60.7	Low	85.3	Confident	163 Å²	163	72.6 Å²	72.6	87%	0.872	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	15.6	-179.6	-67.7	-20.1	0	0	0	113.6	E342	E342-N344 PolarHBondContact O-N 3.3Å; E342-N344 VanDerWaalsContact O-N 3.13Å
345	S	75.6	Confident	85.1	Confident	30 Å²	30	71.8 Å²	71.8	21%	0.21	39%	0.392	C	S	.	.	S	Bend	trans	-92.5	151.8	-177.5	70.9	0	0	0	0	112.9	V341 E342 F347 K348	V341-S345 WeakPolarHBondContact CG1-OG 3.46Å; E342-S345 WeakPolarHBondContact O-CB 3.48Å; E342-S345 PolarHBondContact O-N 3.43Å; E342-S345 VanDerWaalsContact O-N 3.1Å; E342-S345 PolarHBondContact O-OG 2.71Å; S345-F347 PolarHBondContact O-N 3.36Å; S345-K348 PolarHBondContact O-N 3.46Å
346	D	86.3	Confident	85	Confident	80 Å²	80	68.1 Å²	68.1	43%	0.428	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	5.3	173	-171.3	26.4	0	0	0	113.4	N222 R225 R246	N222-D346 PolarHBondContact ND2-O 3.36Å; N222-D346 PolarHBondContact OD1-O 3.13Å; R225-D346 IonicContact CZ-OD2 3.56Å; R225-D346 IonicContact NH1-OD2 2.61Å; R225-D346 PolarHBondContact NH1-OD2 2.8Å; R225-D346 VanDerWaalsContact NH1-OD2 3.07Å; R225-D346 IonicContact NH2-OD2 3.89Å; R225-D346 PolarHBondContact NH2-OD2 2.94Å; R246-D346 PolarHBondContact NH2-O 3.04Å
347	F	88.8	Confident	85	Confident	11 Å²	11	70.8 Å²	70.8	5%	0.048	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-18.1	179.2	-87.5	-115.9	0	0	0	112.7	Y220 N222 D228 F231 V232 V341 S345 L358	Y220-F347 HydrophobicContact CD1-CD1 4.32Å; Y220-F347 HydrophobicContact CE1-CB 4.32Å; Y220-F347 HydrophobicContact CE1-CD1 4.03Å; Y220-F347 VanDerWaalsContact CE1-O 3.22Å; Y220-F347 WeakPolarHBondContact CE1-O 3.08Å; Y220-F347 PolarHBondContact OH-O 3.04Å; N222-F347 HydrophobicContact CB-CD1 3.58Å; N222-F347 HydrophobicContact CB-CD2 4.11Å; N222-F347 HydrophobicContact CB-CE1 3.48Å; N222-F347 VanDerWaalsContact CB-CE1 3.48Å; N222-F347 HydrophobicContact CB-CE2 4.03Å; N222-F347 HydrophobicContact CB-CG 3.87Å; N222-F347 HydrophobicContact CB-CZ 3.71Å; N222-F347 VanDerWaalsContact ND2-CD2 3.35Å; N222-F347 WeakPolarHBondContact ND2-CD2 3.41Å; D228-F347 HydrophobicContact CB-CE2 4.3Å; D228-F347 HydrophobicContact CB-CZ 3.82Å; F231-F347 HydrophobicContact CB-CZ 4.46Å; F231-F347 HydrophobicContact CD1-CE1 4.13Å; F231-F347 AromaticContact CD1-CE2 3.83Å; F231-F347 HydrophobicContact CD1-CE2 3.83Å; F231-F347 AromaticContact CD1-CZ 3.6Å; F231-F347 HydrophobicContact CD1-CZ 3.6Å; F231-F347 HydrophobicContact CE1-CE2 4.26Å; F231-F347 HydrophobicContact CE1-CZ 4.26Å; F231-F347 HydrophobicContact CG-CE2 4.46Å; F231-F347 HydrophobicContact CG-CZ 4.4Å; V232-F347 HydrophobicContact CG2-CE1 3.43Å; V232-F347 VanDerWaalsContact CG2-CE1 3.43Å; V232-F347 HydrophobicContact CG2-CZ 3.83Å; V341-F347 HydrophobicContact CB-CB 4.45Å; V341-F347 HydrophobicContact CG1-CB 3.33Å; V341-F347 HydrophobicContact CG1-CG 4.27Å; V341-F347 HydrophobicContact CG2-CB 4.34Å; S345-F347 PolarHBondContact O-N 3.36Å; F347-L358 HydrophobicContact CD1-CD2 4.06Å; F347-L358 HydrophobicContact CE1-CD2 4.19Å
348	K	89.4	Confident	85.2	Confident	120 Å²	120	69.8 Å²	69.8	52%	0.522	38%	0.376	S	S	.	.			trans	-74	135.9	177.7	-171.9	178	175.6	-171.9	0	110.1	R246 S345 Y356	R246-K348 VanDerWaalsContact NH1-C 3.29Å; R246-K348 PolarHBondContact NH1-O 2.82Å; S345-K348 PolarHBondContact O-N 3.46Å; K348-Y356 HydrophobicContact CG-CD2 4.38Å
349	G	89.6	Confident	85.4	Confident	7 Å²	7	68.2 Å²	68.2	7%	0.072	36%	0.36	C	S	.	.			trans	-112.4	-165.5	167.5	0	0	0	0	0	111.8	R246 D272 Y356	R246-G349 VanDerWaalsContact NH1-CA 3.27Å; D272-G349 WeakPolarHBondContact OD1-CA 3.31Å; G349-Y356 VanDerWaalsContact CA-CZ 3.47Å; G349-Y356 VanDerWaalsContact CA-OH 3.27Å; G349-Y356 WeakPolarHBondContact CA-OH 2.89Å
350	E	90.8	Very high	85.5	Confident	106 Å²	106	66.2 Å²	66.2	50%	0.495	35%	0.35	S	S	.	.			trans	-114	14.8	-174.4	-86.5	-173.5	164.6	0	0	114.1	D272 T273 E274 K352 Y356	D272-E350 PolarHBondContact OD1-N 3.34Å; T273-E350 WeakPolarHBondContact OG1-CB 3.5Å; T273-E350 PolarHBondContact OG1-O 2.91Å; E274-E350 HydrophobicContact CB-CB 4.11Å; E274-E350 HydrophobicContact CB-CG 4.28Å; E274-E350 WeakPolarHBondContact OE2-CG 3.5Å; E350-K352 PolarHBondContact O-N 3.2Å; E350-Y356 PolarHBondContact N-OH 2.84Å
351	L	91.3	Very high	85.8	Confident	9 Å²	9	64.3 Å²	64.3	5%	0.047	35%	0.35	C	S	.	.			trans	-60.1	131	177.2	-67.7	178.5	0	0	0	111.3	Y270 T273 A326 A329 L333 V354 Y356	Y270-L351 HydrophobicContact CD2-CD1 4.37Å; Y270-L351 HydrophobicContact CE2-CD1 3.61Å; Y270-L351 HydrophobicContact CE2-CG 4.35Å; T273-L351 HydrophobicContact CG2-CD2 4.13Å; T273-L351 PolarHBondContact OG1-N 3.22Å; A326-L351 HydrophobicContact CB-CD2 4Å; A329-L351 HydrophobicContact CB-CD1 4.37Å; L333-L351 HydrophobicContact CD1-CD1 3.77Å; L351-V354 HydrophobicContact CB-CB 4.12Å; L351-V354 HydrophobicContact CB-CG2 3.82Å; L351-V354 PolarHBondContact O-N 2.84Å; L351-Y356 WeakPolarHBondContact CB-OH 3.09Å; L351-Y356 VanDerWaalsContact CG-OH 3.28Å; L351-Y356 WeakPolarHBondContact CG-OH 3.27Å; L351-Y356 PolarHBondContact N-OH 3.31Å
352	K	86.9	Confident	86.3	Confident	177 Å²	177	66.9 Å²	66.9	77%	0.77	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	136.6	-177	-66.8	-178.4	-178.9	176.8	0	111.1	E350 V354	E350-K352 PolarHBondContact O-N 3.2Å; K352-V354 PolarHBondContact O-N 3.49Å
353	S	86.6	Confident	87.2	Confident	110 Å²	110	64.5 Å²	64.5	77%	0.769	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	19.7	175.5	-50.3	0	0	0	0	114.7	M334	M334-S353 VanDerWaalsContact CE-CB 3.49Å; M334-S353 VanDerWaalsContact CE-O 3.28Å; M334-S353 WeakPolarHBondContact CE-O 3.49Å
354	V	89.9	Confident	89	Confident	20 Å²	20	59.3 Å²	59.3	12%	0.121	32%	0.32	C	S	.	.			trans	-105.3	129.9	176.9	176.4	0	0	0	0	110.4	T330 L333 M334 L351 K352 Y356	T330-V354 HydrophobicContact CG2-CG2 3.73Å; L333-V354 HydrophobicContact CB-CG1 3.52Å; L333-V354 HydrophobicContact CB-CG2 4.39Å; L333-V354 HydrophobicContact CD1-CG1 4.05Å; L333-V354 HydrophobicContact CG-CG1 4.35Å; M334-V354 HydrophobicContact CG-CG2 4.35Å; L351-V354 HydrophobicContact CB-CB 4.12Å; L351-V354 HydrophobicContact CB-CG2 3.82Å; L351-V354 PolarHBondContact O-N 2.84Å; K352-V354 PolarHBondContact O-N 3.49Å; V354-Y356 HydrophobicContact CB-CE2 4.29Å; V354-Y356 HydrophobicContact CG1-CD2 3.95Å; V354-Y356 HydrophobicContact CG1-CE2 3.94Å; V354-Y356 HydrophobicContact CG1-CG 4.33Å
355	V	89.4	Confident	90.8	Very high	85 Å²	85	52.3 Å²	52.3	52%	0.515	28%	0.284	S	S	.	.			trans	-98.5	115.5	160.9	-179.9	0	0	0	0	106.8	K357	V355-K357 HydrophobicContact CG1-CG 4.4Å; V355-K357 PolarHBondContact O-N 3.22Å
356	Y	91.5	Very high	91.9	Very high	12 Å²	12	50.9 Å²	50.9	5%	0.047	27%	0.274	C	S	.	.			trans	-70.9	116.7	-177.9	-72.5	-104.5	0	0	0	109.8	Y220 D272 L333 V341 K348 G349 E350 L351 V354	Y220-Y356 HydrophobicContact CD1-CD1 4.37Å; Y220-Y356 AromaticContact CE1-CD1 3.71Å; Y220-Y356 HydrophobicContact CE1-CD1 3.71Å; Y220-Y356 HydrophobicContact CE2-CD1 4.27Å; Y220-Y356 HydrophobicContact CE2-CE1 4.43Å; Y220-Y356 AromaticContact CZ-CD1 3.64Å; Y220-Y356 AromaticContact CZ-CE1 4Å; D272-Y356 PolarHBondContact OD2-OH 3.5Å; L333-Y356 HydrophobicContact CD1-CD1 4.27Å; L333-Y356 HydrophobicContact CD1-CE1 3.92Å; V341-Y356 WeakPolarHBondContact CB-O 3.25Å; V341-Y356 WeakPolarHBondContact CG2-O 3.42Å; V341-Y356 PolarHBondContact N-O 3.18Å; K348-Y356 HydrophobicContact CG-CD2 4.38Å; G349-Y356 VanDerWaalsContact CA-CZ 3.47Å; G349-Y356 VanDerWaalsContact CA-OH 3.27Å; G349-Y356 WeakPolarHBondContact CA-OH 2.89Å; E350-Y356 PolarHBondContact N-OH 2.84Å; L351-Y356 WeakPolarHBondContact CB-OH 3.09Å; L351-Y356 VanDerWaalsContact CG-OH 3.28Å; L351-Y356 WeakPolarHBondContact CG-OH 3.27Å; L351-Y356 PolarHBondContact N-OH 3.31Å; V354-Y356 HydrophobicContact CB-CE2 4.29Å; V354-Y356 HydrophobicContact CG1-CD2 3.95Å; V354-Y356 HydrophobicContact CG1-CE2 3.94Å; V354-Y356 HydrophobicContact CG1-CG 4.33Å
357	K	93.6	Very high	92.4	Very high	57 Å²	57	49.1 Å²	49.1	25%	0.248	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-122.2	151.5	175.7	-54	-170	-179.8	-153.8	0	109.4	Y220 I336 G337 P339 E340 V355 G359	Y220-K357 WeakPolarHBondContact CB-O 3.21Å; I336-K357 HydrophobicContact CG2-CB 4.11Å; G337-K357 WeakPolarHBondContact O-CB 3.32Å; P339-K357 WeakPolarHBondContact O-CA 3.48Å; E340-K357 HydrophobicContact CG-CD 4.14Å; E340-K357 HydrophobicContact CG-CG 4.14Å; E340-K357 WeakPolarHBondContact OE1-CE 3.47Å; E340-K357 IonicContact OE1-NZ 2.61Å; E340-K357 PolarHBondContact OE1-NZ 2.82Å; V355-K357 HydrophobicContact CG1-CG 4.4Å; V355-K357 PolarHBondContact O-N 3.22Å; K357-G359 VanDerWaalsContact C-N 3.27Å; K357-G359 PolarHBondContact O-N 3.22Å
358	L	93.6	Very high	92.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.261	C	S	.	.			trans	-73.2	-19.9	-177	-65.4	-177.3	0	0	0	113.1	V219 Y220 V232 K235 V236 P339 V341 F347	V219-L358 CarbonylContact C-O 3.55Å; V219-L358 VanDerWaalsContact CA-O 3.28Å; V219-L358 WeakPolarHBondContact CA-O 3.35Å; V219-L358 WeakPolarHBondContact CG1-O 3Å; Y220-L358 HydrophobicContact CD1-CD2 4.45Å; Y220-L358 PolarHBondContact N-O 3.22Å; V232-L358 HydrophobicContact CG2-CD2 4.08Å; K235-L358 HydrophobicContact CB-CD1 3.88Å; K235-L358 HydrophobicContact CD-CD1 3.6Å; K235-L358 HydrophobicContact CG-CD1 4.36Å; V236-L358 HydrophobicContact CG2-CB 3.99Å; P339-L358 PolarHBondContact O-N 2.87Å; V341-L358 HydrophobicContact CG2-CD2 3.64Å; V341-L358 HydrophobicContact CG2-CG 3.93Å; F347-L358 HydrophobicContact CD1-CD2 4.06Å; F347-L358 HydrophobicContact CE1-CD2 4.19Å
359	G	94.2	Very high	93.3	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-147.7	-179.2	0	0	0	0	0	114.3	G337 K357	G337-G359 VanDerWaalsContact O-CA 3.26Å; G337-G359 WeakPolarHBondContact O-CA 3.32Å; G337-G359 PolarHBondContact O-N 2.55Å; G337-G359 VanDerWaalsContact O-N 3.12Å; K357-G359 VanDerWaalsContact C-N 3.27Å; K357-G359 PolarHBondContact O-N 3.22Å
360	G	91.7	Very high	93.6	Very high	18 Å²	18	44.4 Å²	44.4	19%	0.186	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.1	2.8	-179.7	0	0	0	0	0	115.6	R217 L218	R217-G360 WeakPolarHBondContact CD-O 3.36Å; L218-G360 PolarHBondContact O-N 2.86Å
361	S	90.6	Very high	93.9	Very high	78 Å²	78	42.3 Å²	42.3	55%	0.545	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-22.3	-179	57	0	0	0	0	114.8	I336	I336-S361 PolarHBondContact O-OG 3Å
362	Q	94.1	Very high	94	Very high	74 Å²	74	45.5 Å²	45.5	35%	0.346	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141	-176	-67.8	174.3	13.7	0	0	110.9	F195 R217 L218 K335	F195-Q362 HydrophobicContact CE2-CB 3.77Å; F195-Q362 HydrophobicContact CZ-CB 3.87Å; R217-Q362 CarbonylContact C-O 3.55Å; R217-Q362 WeakPolarHBondContact CA-O 3.3Å; L218-Q362 PolarHBondContact N-O 3.21Å; K335-Q362 PolarHBondContact O-NE2 3.45Å; K335-Q362 PolarHBondContact O-OE1 2.95Å
363	N	96.1	Very high	94.2	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.444	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	145.9	176.2	-73.1	-2.4	0	0	0	111.4	F195 E215 G216	F195-N363 VanDerWaalsContact CD2-O 3.23Å; F195-N363 WeakPolarHBondContact CD2-O 3.22Å; F195-N363 WeakPolarHBondContact CE2-O 3.49Å; E215-N363 HydrophobicContact CG-CB 4.12Å; E215-N363 WeakPolarHBondContact OE1-CB 3.34Å; E215-N363 PolarHBondContact OE1-ND2 3.07Å; G216-N363 CarbonylContact O-C 3.55Å; G216-N363 VanDerWaalsContact O-CA 3.29Å; G216-N363 WeakPolarHBondContact O-CA 3.4Å
364	I	98.1	Very high	94.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.4	171.4	-167.9	168.1	0	0	0	108.1	V193 Y194 F195 E215 G216 L218 V242 L268 L332	V193-I364 HydrophobicContact CG1-CD1 3.52Å; V193-I364 HydrophobicContact CG1-CG1 3.77Å; Y194-I364 VanDerWaalsContact O-CG1 3.31Å; Y194-I364 WeakPolarHBondContact O-CG1 3.26Å; F195-I364 HydrophobicContact CB-CD1 4.25Å; F195-I364 HydrophobicContact CB-CG1 4.11Å; F195-I364 HydrophobicContact CD2-CB 3.71Å; F195-I364 HydrophobicContact CD2-CD1 4.14Å; F195-I364 HydrophobicContact CD2-CG1 3.87Å; F195-I364 HydrophobicContact CE2-CB 4.23Å; F195-I364 HydrophobicContact CG-CD1 4.36Å; F195-I364 HydrophobicContact CG-CG1 4.34Å; E215-I364 WeakPolarHBondContact CA-O 3.45Å; G216-I364 PolarHBondContact N-O 3.34Å; G216-I364 PolarHBondContact O-N 3.38Å; L218-I364 HydrophobicContact CB-CB 4.23Å; L218-I364 HydrophobicContact CB-CG2 3.88Å; L218-I364 HydrophobicContact CD1-CD1 4.08Å; L218-I364 HydrophobicContact CD1-CG2 4.08Å; L218-I364 HydrophobicContact CD2-CD1 4.26Å; L218-I364 HydrophobicContact CG-CG2 4.5Å; V242-I364 HydrophobicContact CB-CG2 3.47Å; V242-I364 VanDerWaalsContact CB-CG2 3.47Å; V242-I364 HydrophobicContact CG1-CG2 3.7Å; V242-I364 HydrophobicContact CG2-CG2 3.68Å; L268-I364 HydrophobicContact CD1-CD1 3.73Å; L332-I364 HydrophobicContact CD1-CD1 3.93Å; L332-I364 HydrophobicContact CD2-CD1 3.79Å
365	T	98.4	Very high	94.6	Very high	17 Å²	17	40.8 Å²	40.8	10%	0.104	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.1	172.6	-56.9	0	0	0	0	109.4	V193 Y194 R213 V214	V193-T365 CarbonylContact C-O 3.34Å; V193-T365 WeakPolarHBondContact CA-O 3.34Å; Y194-T365 HydrophobicContact CD2-CG2 4.13Å; Y194-T365 PolarHBondContact N-O 3.05Å; Y194-T365 PolarHBondContact O-N 2.87Å; R213-T365 HydrophobicContact CG-CG2 3.79Å; V214-T365 CarbonylContact O-C 3.6Å; V214-T365 VanDerWaalsContact O-CA 3.31Å; V214-T365 WeakPolarHBondContact O-CA 3.49Å
366	V	98.4	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.6	175.3	-177.9	0	0	0	0	108.3	V193 R213 V214 V242 A266 L268 Q322 V368	V193-V366 HydrophobicContact CG1-CG2 4.47Å; V193-V366 HydrophobicContact CG2-CG1 4.41Å; V193-V366 HydrophobicContact CG2-CG2 4.5Å; R213-V366 WeakPolarHBondContact CA-O 3.35Å; V214-V366 HydrophobicContact CG2-CB 4.3Å; V214-V366 PolarHBondContact N-O 3.4Å; V214-V366 PolarHBondContact O-N 2.95Å; V242-V366 HydrophobicContact CG1-CG2 3.74Å; V242-V366 HydrophobicContact CG2-CG2 4.45Å; A266-V366 HydrophobicContact CB-CB 4.25Å; A266-V366 HydrophobicContact CB-CG1 4.49Å; A266-V366 HydrophobicContact CB-CG2 4.36Å; L268-V366 HydrophobicContact CD1-CG2 4.28Å; L268-V366 HydrophobicContact CD2-CG1 4.12Å; L268-V366 HydrophobicContact CD2-CG2 3.9Å; L268-V366 HydrophobicContact CG-CG2 4.19Å; Q322-V366 HydrophobicContact CB-CG1 4.37Å; V366-V368 HydrophobicContact CG1-CG2 4.14Å
367	E	98.2	Very high	95	Very high	43 Å²	43	39.5 Å²	39.5	20%	0.201	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.3	177.9	-174	174.5	-179.9	0	0	109.3	N191 T192 R213 N369	N191-E367 CarbonylContact C-O 3.57Å; N191-E367 WeakPolarHBondContact CA-O 3.42Å; T192-E367 PolarHBondContact N-O 2.69Å; T192-E367 PolarHBondContact O-N 2.81Å; R213-E367 HydrophobicContact CB-CB 4.39Å; R213-E367 HydrophobicContact CB-CG 4.15Å; R213-E367 HydrophobicContact CG-CB 4.18Å; R213-E367 HydrophobicContact CG-CG 4.3Å; E367-N369 PolarHBondContact OE1-ND2 3.3Å
368	V	98.3	Very high	95.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.1	176.7	178.8	0	0	0	0	109	P211 G212 P320 Q322 V366 N370	P211-V368 CarbonylContact C-O 3.32Å; P211-V368 VanDerWaalsContact CA-O 3.23Å; P211-V368 WeakPolarHBondContact CA-O 3.39Å; G212-V368 PolarHBondContact N-O 3.44Å; G212-V368 PolarHBondContact O-N 3.48Å; P320-V368 HydrophobicContact CB-CB 4.26Å; P320-V368 HydrophobicContact CB-CG2 3.87Å; Q322-V368 HydrophobicContact CB-CG2 4.11Å; V366-V368 HydrophobicContact CG1-CG2 4.14Å; V368-N370 HydrophobicContact CG1-CB 4.32Å
369	N	97.6	Very high	95.4	Very high	35 Å²	35	37.7 Å²	37.7	19%	0.187	21%	0.207	C	C	.	.			trans	-126	30	-172.7	-67.7	-35.9	0	0	0	110.9	D186 N189 N191 E367	D186-N369 WeakPolarHBondContact CB-O 3.23Å; D186-N369 PolarHBondContact N-O 3.25Å; N189-N369 HydrophobicContact CB-CB 4.21Å; N189-N369 WeakPolarHBondContact O-CB 3.49Å; N189-N369 PolarHBondContact O-ND2 3.48Å; N191-N369 PolarHBondContact OD1-N 3.07Å; E367-N369 PolarHBondContact OE1-ND2 3.3Å
370	N	96.9	Very high	95.6	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	143.4	175.4	-62.4	-14.3	0	0	0	110.7	Q183 M184 N191 L206 P211 V368	Q183-N370 HydrophobicContact CG-CB 3.72Å; Q183-N370 VanDerWaalsContact OE1-CB 3.3Å; Q183-N370 PolarHBondContact OE1-ND2 3.42Å; M184-N370 CarbonylContact O-C 3.56Å; M184-N370 VanDerWaalsContact O-CA 3.27Å; M184-N370 WeakPolarHBondContact O-CA 3.22Å; N191-N370 PolarHBondContact ND2-OD1 3.34Å; N191-N370 PolarHBondContact OD1-OD1 3.49Å; L206-N370 PolarHBondContact O-ND2 3.33Å; P211-N370 VanDerWaalsContact CG-O 3.26Å; P211-N370 WeakPolarHBondContact CG-O 3.45Å; V368-N370 HydrophobicContact CG1-CB 4.32Å
371	V	96	Very high	95.9	Very high	61 Å²	61	36.7 Å²	36.7	37%	0.37	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.9	-178.6	-67.8	0	0	0	0	111.1	Q183 M184 D186 V373	Q183-V371 WeakPolarHBondContact CA-O 3.5Å; Q183-V371 WeakPolarHBondContact CG-O 3.25Å; M184-V371 PolarHBondContact N-O 2.88Å; M184-V371 PolarHBondContact O-N 2.95Å; D186-V371 HydrophobicContact CB-CG1 4.05Å; D186-V371 HydrophobicContact CB-CG2 4.42Å; V371-V373 HydrophobicContact CG2-CG2 4.3Å
372	L	93.5	Very high	96.2	Very high	76 Å²	76	33 Å²	33	40%	0.398	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135	172.6	-66.9	172.3	0	0	0	110.1	Q183 Y296	Q183-L372 HydrophobicContact CB-CD2 3.95Å; Q183-L372 HydrophobicContact CG-CD2 3.99Å; Y296-L372 HydrophobicContact CE1-CD1 4.18Å; Y296-L372 HydrophobicContact CE2-CD1 3.97Å; Y296-L372 HydrophobicContact CE2-CD2 3.51Å; Y296-L372 HydrophobicContact CE2-CG 4.4Å; Y296-L372 WeakPolarHBondContact OH-CD2 3.35Å
373	V	92.6	Very high	96.4	Very high	48 Å²	48	29.8 Å²	29.8	29%	0.291	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.3	-178.2	-175.6	0	0	0	0	108.3	L182 M184 V371 K375	L182-V373 PolarHBondContact N-O 3.3Å; L182-V373 PolarHBondContact O-N 3.39Å; M184-V373 HydrophobicContact CE-CB 4.29Å; M184-V373 HydrophobicContact CG-CG2 4.43Å; V371-V373 HydrophobicContact CG2-CG2 4.3Å; V373-K375 HydrophobicContact CG1-CD 4.32Å; V373-K375 HydrophobicContact CG1-CG 4.35Å; V373-K375 PolarHBondContact O-N 3.38Å
374	N	91.4	Very high	96.5	Very high	105 Å²	105	26.1 Å²	26.1	56%	0.561	14%	0.137	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.2	172.1	-65.9	-32.3	0	0	0	109.2	V180 Q181 H305	V180-N374 WeakPolarHBondContact O-CA 3.29Å; Q181-N374 WeakPolarHBondContact CG-OD1 3.27Å; Q181-N374 PolarHBondContact NE2-OD1 2.67Å; H305-N374 PolarHBondContact CD2-OD1 2.89Å
375	K	93	Very high	96.4	Very high	56 Å²	56	30.4 Å²	30.4	24%	0.243	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.4	179.1	-73.3	-61.6	-162.1	170.2	0	110.3	G151 Y179 V180 L182 M184 V373	G151-K375 PolarHBondContact O-NZ 2.78Å; Y179-K375 WeakPolarHBondContact CA-O 3.37Å; V180-K375 HydrophobicContact CG2-CB 4.4Å; V180-K375 PolarHBondContact N-O 3.4Å; V180-K375 PolarHBondContact O-N 2.88Å; L182-K375 HydrophobicContact CB-CG 4.5Å; L182-K375 HydrophobicContact CD1-CB 4.08Å; L182-K375 HydrophobicContact CD1-CG 4.07Å; L182-K375 HydrophobicContact CG-CB 4.25Å; L182-K375 HydrophobicContact CG-CG 4.33Å; M184-K375 HydrophobicContact CE-CD 4.3Å; M184-K375 VanDerWaalsContact CE-CE 3.47Å; M184-K375 HydrophobicContact CE-CG 3.87Å; V373-K375 HydrophobicContact CG1-CD 4.32Å; V373-K375 HydrophobicContact CG1-CG 4.35Å; V373-K375 PolarHBondContact O-N 3.38Å
376	E	94	Very high	96.2	Very high	69 Å²	69	30 Å²	30	32%	0.322	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.2	167.1	-171.9	-178.1	138.3	0	0	108.4	G151 I177 H178 Y179 H378	G151-E376 WeakPolarHBondContact CA-O 3.45Å; I177-E376 HydrophobicContact CG2-CG 3.57Å; H178-E376 WeakPolarHBondContact O-CA 3.43Å; Y179-E376 HydrophobicContact CD1-CB 4.16Å; Y179-E376 HydrophobicContact CD1-CG 4.23Å; Y179-E376 HydrophobicContact CE1-CB 4.1Å; Y179-E376 HydrophobicContact CE1-CG 3.86Å; Y179-E376 WeakPolarHBondContact CE1-OE2 3.31Å; E376-H378 IonicContact OE1-CD2 3.33Å; E376-H378 IonicContact OE1-CE1 3.44Å; E376-H378 IonicContact OE1-NE2 2.69Å; E376-H378 PolarHBondContact OE1-NE2 2.81Å
377	I	95.6	Very high	95.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.6	179.5	65.2	167.6	0	0	0	110.6	I177 H178 V180 A446 V452	I177-I377 WeakPolarHBondContact CA-O 3.32Å; H178-I377 HydrophobicContact CB-CD1 4.12Å; H178-I377 HydrophobicContact CB-CG1 3.74Å; H178-I377 PolarHBondContact N-O 3.01Å; H178-I377 VanDerWaalsContact N-O 3.07Å; H178-I377 PolarHBondContact O-N 3.16Å; V180-I377 HydrophobicContact CG1-CD1 3.94Å; V180-I377 HydrophobicContact CG1-CG1 4.29Å; V180-I377 HydrophobicContact CG2-CD1 4.02Å; V180-I377 HydrophobicContact CG2-CG1 4.1Å; V180-I377 HydrophobicContact CG2-CG2 3.74Å; I377-A446 HydrophobicContact CD1-CB 4.04Å; I377-A446 HydrophobicContact CG2-CB 4.13Å; I377-V452 HydrophobicContact CD1-CG1 4.08Å
378	H	96.4	Very high	95.6	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.093	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	109.7	-173.9	-73.4	-136.7	0	0	0	109.5	A159 T175 E376 R400	A159-H378 HydrophobicContact CB-CB 4.04Å; T175-H378 HydrophobicContact CG2-CB 3.92Å; E376-H378 IonicContact OE1-CD2 3.33Å; E376-H378 IonicContact OE1-CE1 3.44Å; E376-H378 IonicContact OE1-NE2 2.69Å; E376-H378 PolarHBondContact OE1-NE2 2.81Å; H378-R400 PolarHBondContact O-NH2 3.44Å; H378-R400 VanDerWaalsContact O-NH2 3.07Å
379	N	97.9	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.7	167.3	-61.9	-39.3	0	0	0	108.9	T175 D176 F381 S443 W444 S445 G453	T175-N379 CarbonylContact C-O 3.54Å; T175-N379 VanDerWaalsContact CA-O 3.32Å; T175-N379 WeakPolarHBondContact CA-O 3.22Å; T175-N379 WeakPolarHBondContact CG2-O 3.38Å; D176-N379 HydrophobicContact CB-CB 4.2Å; D176-N379 PolarHBondContact N-O 3.07Å; D176-N379 PolarHBondContact O-N 3.33Å; N379-F381 HydrophobicContact CB-CE2 3.79Å; N379-F381 HydrophobicContact CB-CZ 4.26Å; N379-S443 WeakPolarHBondContact CA-O 3.47Å; N379-W444 HydrophobicContact CB-CE3 4.07Å; N379-W444 HydrophobicContact CB-CZ3 4.27Å; N379-S445 PolarHBondContact OD1-N 2.94Å; N379-S445 VanDerWaalsContact OD1-N 3.17Å; N379-G453 PolarHBondContact ND2-O 2.66Å
380	V	98.5	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.7	-175.2	-178.6	0	0	0	0	110.3	A159 I162 F163 F166 S443	A159-V380 HydrophobicContact CB-CG2 3.75Å; I162-V380 HydrophobicContact CB-CG1 4.45Å; I162-V380 HydrophobicContact CG2-CB 4.32Å; I162-V380 HydrophobicContact CG2-CG1 3.88Å; F163-V380 HydrophobicContact CB-CG1 3.86Å; F163-V380 HydrophobicContact CD2-CG1 4.23Å; F166-V380 HydrophobicContact CD2-CG1 4.2Å; F166-V380 HydrophobicContact CE2-CG1 4.24Å; V380-S443 PolarHBondContact N-O 3.29Å; V380-S443 PolarHBondContact O-N 2.94Å
381	F	98.5	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.1	-177.5	-61.4	-93.2	0	0	0	112.1	P173 W174 D176 N379 I440 F441 A442 W444 W457	P173-F381 WeakPolarHBondContact CA-O 3.32Å; P173-F381 WeakPolarHBondContact CB-O 3.25Å; W174-F381 HydrophobicContact CD2-CB 3.6Å; W174-F381 HydrophobicContact CD2-CD2 4.32Å; W174-F381 HydrophobicContact CD2-CG 4.22Å; W174-F381 AromaticContact CE2-CD2 3.57Å; W174-F381 AromaticContact CE2-CG 3.5Å; W174-F381 VanDerWaalsContact CE2-CG 3.5Å; W174-F381 HydrophobicContact CE3-CB 3.69Å; W174-F381 HydrophobicContact CG-CB 4.4Å; W174-F381 HydrophobicContact CH2-CB 3.38Å; W174-F381 HydrophobicContact CH2-CD1 4.21Å; W174-F381 AromaticContact CH2-CG 3.92Å; W174-F381 HydrophobicContact CH2-CG 3.92Å; W174-F381 HydrophobicContact CZ2-CB 3.26Å; W174-F381 AromaticContact CZ2-CD1 3.72Å; W174-F381 HydrophobicContact CZ2-CD1 3.72Å; W174-F381 AromaticContact CZ2-CD2 3.84Å; W174-F381 HydrophobicContact CZ2-CD2 3.84Å; W174-F381 HydrophobicContact CZ2-CE1 4.49Å; W174-F381 AromaticContact CZ2-CG 3.33Å; W174-F381 HydrophobicContact CZ2-CG 3.33Å; W174-F381 HydrophobicContact CZ3-CB 3.59Å; W174-F381 PolarHBondContact N-O 2.6Å; W174-F381 AromaticContact NE1-CD2 3.36Å; W174-F381 AromaticContact NE1-CE2 3.96Å; W174-F381 AromaticContact NE1-CG 3.82Å; W174-F381 PolarHBondContact O-N 2.85Å; D176-F381 HydrophobicContact CB-CD2 4.33Å; D176-F381 HydrophobicContact CB-CE2 3.66Å; N379-F381 HydrophobicContact CB-CE2 3.79Å; N379-F381 HydrophobicContact CB-CZ 4.26Å; F381-I440 HydrophobicContact CD1-CG2 3.82Å; F381-F441 CarbonylContact C-O 3.55Å; F381-F441 VanDerWaalsContact CA-O 3.26Å; F381-F441 WeakPolarHBondContact CA-O 3.43Å; F381-A442 HydrophobicContact CD1-CB 3.69Å; F381-A442 HydrophobicContact CE1-CB 3.58Å; F381-W444 AromaticContact CE1-CH2 3.59Å; F381-W444 HydrophobicContact CE1-CH2 3.59Å; F381-W444 HydrophobicContact CE1-CZ2 4.3Å; F381-W444 AromaticContact CE1-CZ3 3.97Å; F381-W444 HydrophobicContact CE1-CZ3 3.97Å; F381-W444 HydrophobicContact CE2-CZ3 4.47Å; F381-W444 HydrophobicContact CZ-CE3 4.44Å; F381-W444 AromaticContact CZ-CH2 3.58Å; F381-W444 HydrophobicContact CZ-CH2 3.58Å; F381-W444 AromaticContact CZ-CZ3 3.48Å; F381-W444 HydrophobicContact CZ-CZ3 3.48Å; F381-W444 VanDerWaalsContact CZ-CZ3 3.48Å; F381-W457 AromaticContact CE1-NE1 3.99Å; F381-W457 AromaticContact CZ-CD1 3.54Å; F381-W457 HydrophobicContact CZ-CD2 4.32Å; F381-W457 AromaticContact CZ-CG 3.97Å; F381-W457 HydrophobicContact CZ-CG 3.97Å; F381-W457 AromaticContact CZ-NE1 3.64Å
382	G	97.7	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.8	169.1	0	0	0	0	0	110	I440 F441	G382-I440 WeakPolarHBondContact O-CA 3.34Å; G382-F441 PolarHBondContact N-O 3Å; G382-F441 PolarHBondContact O-N 3.2Å
383	V	97.6	Very high	95.3	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.2	-175.3	170.8	0	0	0	0	112.4	M12 W174 K385 I439 I440	M12-V383 HydrophobicContact CE-CB 3.93Å; M12-V383 HydrophobicContact CE-CG1 4.3Å; M12-V383 HydrophobicContact CE-CG2 4.14Å; M12-V383 HydrophobicContact SD-CG2 4.24Å; W174-V383 HydrophobicContact CH2-CG2 3.47Å; W174-V383 VanDerWaalsContact CH2-CG2 3.47Å; W174-V383 HydrophobicContact CZ3-CB 4.21Å; W174-V383 HydrophobicContact CZ3-CG2 3.3Å; V383-K385 HydrophobicContact CG1-CG 4.05Å; V383-I439 WeakPolarHBondContact CA-O 3.49Å; V383-I440 HydrophobicContact CG2-CB 4.2Å; V383-I440 HydrophobicContact CG2-CD1 4.1Å; V383-I440 HydrophobicContact CG2-CG1 3.82Å; V383-I440 HydrophobicContact CG2-CG2 4.03Å
384	I	97.1	Very high	95.5	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.036	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.6	163.3	-58.5	179.1	0	0	0	106.9	M171 F424 Q425 V428 P435 S438 I439 F441	M171-I384 HydrophobicContact CE-CD1 3.87Å; M171-I384 HydrophobicContact CE-CG1 3.83Å; I384-F424 HydrophobicContact CD1-CB 3.51Å; I384-Q425 HydrophobicContact CD1-CB 4.29Å; I384-V428 HydrophobicContact CG2-CG2 3.92Å; I384-P435 HydrophobicContact CG2-CG 4.11Å; I384-S438 CarbonylContact O-C 3.41Å; I384-S438 VanDerWaalsContact O-CA 3.26Å; I384-S438 WeakPolarHBondContact O-CA 3.47Å; I384-I439 HydrophobicContact CB-CB 4.38Å; I384-I439 PolarHBondContact N-O 3.45Å; I384-I439 PolarHBondContact O-N 3.24Å; I384-F441 HydrophobicContact CD1-CE2 3.84Å; I384-F441 HydrophobicContact CD1-CZ 4.38Å; I384-F441 HydrophobicContact CG1-CE2 4.12Å
385	K	96.1	Very high	95.9	Very high	91 Å²	91	25.5 Å²	25.5	40%	0.396	13%	0.126	S	C	.	.			trans	-72.2	134.9	-176.9	-65.4	-175.2	-178.4	-175.1	0	111.2	F8 V383 S438	F8-K385 HydrophobicContact CE1-CD 3.81Å; F8-K385 VanDerWaalsContact CE1-CE 3.42Å; F8-K385 HydrophobicContact CE1-CG 4.35Å; F8-K385 HydrophobicContact CZ-CD 4.25Å; F8-K385 HydrophobicContact CZ-CG 4.28Å; V383-K385 HydrophobicContact CG1-CG 4.05Å; K385-S438 WeakPolarHBondContact CA-OG 3.43Å
386	G	94.8	Very high	96.2	Very high	9 Å²	9	22.9 Å²	22.9	9%	0.093	12%	0.115	C	C	.	.			trans	-67.8	156.2	170.8	0	0	0	0	0	112.3	P390 P435 R437 S438	G386-P390 WeakPolarHBondContact O-CB 3.21Å; G386-P435 CarbonylContact C-O 3.57Å; G386-P435 VanDerWaalsContact CA-O 3.3Å; G386-P435 WeakPolarHBondContact CA-O 3.48Å; G386-R437 VanDerWaalsContact CA-C 3.48Å; G386-S438 PolarHBondContact N-OG 2.83Å
387	F	92.8	Very high	96.4	Very high	102 Å²	102	19.6 Å²	19.6	45%	0.447	10%	0.1	S	C	.	.	S	Bend	trans	-92.4	-34.1	-179.2	-79.6	-99.4	0	0	0	113.4	R434 P435 R436	F387-R434 HydrophobicContact CD1-CB 4.25Å; F387-R434 HydrophobicContact CD1-CG 4.18Å; F387-R434 HydrophobicContact CD2-CB 3.56Å; F387-R434 HydrophobicContact CD2-CG 4.04Å; F387-R434 HydrophobicContact CE1-CB 4.37Å; F387-R434 HydrophobicContact CE1-CG 3.87Å; F387-R434 HydrophobicContact CE2-CB 3.71Å; F387-R434 HydrophobicContact CE2-CG 3.72Å; F387-R434 HydrophobicContact CG-CB 3.84Å; F387-R434 HydrophobicContact CG-CG 4.25Å; F387-R434 HydrophobicContact CZ-CB 4.11Å; F387-R434 HydrophobicContact CZ-CG 3.62Å; F387-P435 WeakPolarHBondContact CD2-O 3.3Å; F387-P435 PolarHBondContact N-O 3.03Å; F387-R436 PolarHBondContact N-O 3.19Å
388	T	91.8	Very high	96.5	Very high	48 Å²	48	19.6 Å²	19.6	29%	0.294	10%	0.1	S	C	.	.	S	Bend	trans	-98.9	-53.9	-176.8	-54	0	0	0	0	110.5	P390 R436 N670	T388-P390 VanDerWaalsContact C-CD 3.44Å; T388-P390 VanDerWaalsContact O-CD 3.28Å; T388-P390 WeakPolarHBondContact O-CD 3.2Å; T388-R436 PolarHBondContact N-O 2.97Å; T388-N670 HydrophobicContact CG2-CB 4.38Å
389	D	94.5	Very high	96.5	Very high	13 Å²	13	18.8 Å²	18.8	7%	0.07	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	71.6	-178.7	-61.9	-51.6	0	0	0	109.7	D391 R392 R436 R437 R674	D389-D391 PolarHBondContact O-N 3.16Å; D389-R392 HydrophobicContact CB-CB 4.04Å; D389-R392 HydrophobicContact CB-CG 3.95Å; D389-R392 PolarHBondContact O-N 3.01Å; D389-R392 VanDerWaalsContact O-N 3.11Å; D389-R436 PolarHBondContact N-O 2.85Å; D389-R437 HydrophobicContact CB-CG 4.23Å; D389-R674 IonicContact OD1-CZ 3.46Å; D389-R674 IonicContact OD1-NH1 2.73Å; D389-R674 PolarHBondContact OD1-NH1 3.21Å
390	P	95.1	Very high	96.5	Very high	49 Å²	49	18.9 Å²	18.9	32%	0.318	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-20.9	-178.7	25.3	-34.2	0	0	0	113.3	G386 T388 R392 S438	G386-P390 WeakPolarHBondContact O-CB 3.21Å; T388-P390 VanDerWaalsContact C-CD 3.44Å; T388-P390 VanDerWaalsContact O-CD 3.28Å; T388-P390 WeakPolarHBondContact O-CD 3.2Å; P390-R392 VanDerWaalsContact C-N 3.33Å; P390-S438 WeakPolarHBondContact CA-OG 3.46Å; P390-S438 PolarHBondContact O-OG 3.28Å
391	D	94.8	Very high	96.4	Very high	35 Å²	35	18.9 Å²	18.9	19%	0.187	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	0.3	178.5	65.9	-46.8	0	0	0	113.8	D389 R674	D389-D391 PolarHBondContact O-N 3.16Å; D391-R674 IonicContact OD1-CZ 3.4Å; D391-R674 IonicContact OD1-NH1 3.16Å; D391-R674 PolarHBondContact OD1-NH1 3.4Å; D391-R674 IonicContact OD1-NH2 2.78Å; D391-R674 PolarHBondContact OD1-NH2 3.29Å; D391-R674 IonicContact OD2-CZ 3.71Å; D391-R674 IonicContact OD2-NH1 3.41Å; D391-R674 IonicContact OD2-NH2 2.74Å; D391-R674 PolarHBondContact OD2-NH2 3.27Å
392	R	95.9	Very high	96.3	Very high	23 Å²	23	18.9 Å²	18.9	9%	0.087	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.6	173.9	-63.3	-67.6	-177.2	-83.8	-6.6	109.2	D389 P390 R437 S438 R467 S468 F470 D678	D389-R392 HydrophobicContact CB-CB 4.04Å; D389-R392 HydrophobicContact CB-CG 3.95Å; D389-R392 PolarHBondContact O-N 3.01Å; D389-R392 VanDerWaalsContact O-N 3.11Å; P390-R392 VanDerWaalsContact C-N 3.33Å; R392-R437 HydrophobicContact CB-CB 4.49Å; R392-R437 HydrophobicContact CB-CG 4.17Å; R392-R437 WeakPolarHBondContact O-CB 3.48Å; R392-S438 PolarHBondContact O-N 2.77Å; R392-R467 PolarHBondContact NE-O 3.47Å; R392-R467 PolarHBondContact NH1-O 2.8Å; R392-R467 VanDerWaalsContact NH1-O 3.09Å; R392-S468 CarbonylContact C-O 3.49Å; R392-S468 WeakPolarHBondContact CA-O 3.49Å; R392-F470 HydrophobicContact CB-CD1 4.22Å; R392-F470 HydrophobicContact CB-CE1 4.4Å; R392-D678 IonicContact CZ-OD1 3.34Å; R392-D678 IonicContact NE-OD1 3.44Å; R392-D678 PolarHBondContact NE-OD1 2.94Å; R392-D678 VanDerWaalsContact NE-OD1 3.16Å; R392-D678 IonicContact NH2-OD1 2.74Å; R392-D678 PolarHBondContact NH2-OD1 3.25Å; R392-D678 IonicContact NH2-OD2 3.76Å; R392-D678 PolarHBondContact NH2-OD2 3.2Å
393	Y	94.8	Very high	96	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.027	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.6	-176	41.7	-86.3	0	0	0	116	V395 S438 I440 S468 V469 F470	Y393-V395 HydrophobicContact CD2-CG2 3.86Å; Y393-V395 HydrophobicContact CE2-CG2 4.35Å; Y393-S438 VanDerWaalsContact CA-O 3.22Å; Y393-S438 WeakPolarHBondContact CA-O 3.48Å; Y393-S438 WeakPolarHBondContact CB-O 3.29Å; Y393-I440 HydrophobicContact CD1-CD1 4.24Å; Y393-I440 HydrophobicContact CD2-CD1 3.23Å; Y393-I440 HydrophobicContact CD2-CG1 3.79Å; Y393-I440 HydrophobicContact CE2-CD1 3.54Å; Y393-I440 HydrophobicContact CG-CD1 3.62Å; Y393-I440 HydrophobicContact CG-CG1 3.95Å; Y393-S468 VanDerWaalsContact CZ-CB 3.44Å; Y393-S468 PolarHBondContact N-O 2.6Å; Y393-S468 WeakPolarHBondContact OH-CB 3.39Å; Y393-V469 HydrophobicContact CD2-CB 4.35Å; Y393-V469 HydrophobicContact CD2-CG2 3.62Å; Y393-V469 HydrophobicContact CE2-CB 4.23Å; Y393-V469 HydrophobicContact CE2-CG2 3.13Å; Y393-V469 WeakPolarHBondContact O-CA 3.42Å; Y393-F470 VanDerWaalsContact C-CD1 3.49Å; Y393-F470 VanDerWaalsContact O-CD1 3.28Å; Y393-F470 WeakPolarHBondContact O-CD1 3.38Å; Y393-F470 WeakPolarHBondContact O-CE1 3.2Å; Y393-F470 PolarHBondContact O-N 3.08Å; Y393-F470 VanDerWaalsContact O-N 3.07Å
394	V	98.4	Very high	95.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.6	161.4	55.4	0	0	0	0	108.5	S438 I439 I440 F470 T471 I473 V596 L599 V600	V394-S438 PolarHBondContact N-O 3.36Å; V394-I439 HydrophobicContact CG1-CB 4.42Å; V394-I439 HydrophobicContact CG1-CG1 4.14Å; V394-I439 HydrophobicContact CG1-CG2 4.31Å; V394-I440 PolarHBondContact O-N 3.18Å; V394-F470 HydrophobicContact CB-CE1 4.38Å; V394-F470 HydrophobicContact CB-CE2 3.63Å; V394-F470 HydrophobicContact CB-CZ 3.51Å; V394-F470 HydrophobicContact CG1-CZ 4.03Å; V394-F470 HydrophobicContact CG2-CE2 4.39Å; V394-T471 WeakPolarHBondContact CA-O 2.91Å; V394-T471 HydrophobicContact CG2-CG2 4.45Å; V394-I473 HydrophobicContact CG2-CD1 4.45Å; V394-V596 HydrophobicContact CG1-CG1 3.97Å; V394-V596 HydrophobicContact CG2-CG2 4.26Å; V394-L599 HydrophobicContact CG2-CD1 4.25Å; V394-V600 HydrophobicContact CG1-CG1 3.76Å
395	V	98.6	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123	177.3	-178.4	0	0	0	0	108.7	Y393 I440 A442 W457 V469 T471 Y472 I473	Y393-V395 HydrophobicContact CD2-CG2 3.86Å; Y393-V395 HydrophobicContact CE2-CG2 4.35Å; V395-I440 CarbonylContact C-O 3.56Å; V395-I440 WeakPolarHBondContact CA-O 3.48Å; V395-I440 HydrophobicContact CG2-CB 4.13Å; V395-I440 HydrophobicContact CG2-CG1 4.44Å; V395-A442 HydrophobicContact CG1-CB 4.06Å; V395-W457 HydrophobicContact CG2-CH2 4.4Å; V395-V469 HydrophobicContact CG2-CG1 3.93Å; V395-V469 HydrophobicContact CG2-CG2 4.14Å; V395-T471 PolarHBondContact N-O 3.31Å; V395-Y472 HydrophobicContact CB-CD2 3.92Å; V395-Y472 HydrophobicContact CG1-CD2 3.78Å; V395-Y472 HydrophobicContact CG1-CE2 3.99Å; V395-Y472 CarbonylContact O-C 3.56Å; V395-Y472 WeakPolarHBondContact O-CA 3.5Å; V395-I473 PolarHBondContact O-N 3.4Å
396	L	98.6	Very high	95.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.4	163.9	-63.7	107.3	0	0	0	109	L417 L420 I439 I440 F441 A442 I473 L475 V596	L396-L417 HydrophobicContact CB-CD1 3.98Å; L396-L417 WeakPolarHBondContact O-CD1 3.41Å; L396-L420 HydrophobicContact CD2-CD1 3.85Å; L396-I439 HydrophobicContact CD1-CG2 3.58Å; L396-I440 PolarHBondContact N-O 3.02Å; L396-F441 HydrophobicContact CB-CD1 4.36Å; L396-F441 HydrophobicContact CD1-CD1 4.08Å; L396-F441 HydrophobicContact CD1-CE1 3.79Å; L396-F441 HydrophobicContact CD1-CZ 4.44Å; L396-A442 PolarHBondContact O-N 3.42Å; L396-I473 WeakPolarHBondContact CA-O 3.43Å; L396-L475 HydrophobicContact CB-CD1 4.28Å; L396-L475 HydrophobicContact CD2-CD1 4.27Å; L396-L475 HydrophobicContact CD2-CD2 4.28Å; L396-V596 HydrophobicContact CD1-CG1 4.31Å; L396-V596 HydrophobicContact CD1-CG2 3.57Å; L396-V596 HydrophobicContact CD2-CG2 3.74Å; L396-V596 HydrophobicContact CG-CG2 3.83Å
397	G	98.4	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.4	-179.1	0	0	0	0	0	112.7	A442 I473 L475	G397-A442 CarbonylContact C-O 3.56Å; G397-A442 WeakPolarHBondContact CA-O 3.43Å; G397-I473 PolarHBondContact N-O 3.22Å; G397-L475 WeakPolarHBondContact O-CB 3.32Å; G397-L475 PolarHBondContact O-N 2.96Å
398	A	98.3	Very high	95.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.7	166.7	0	0	0	0	0	111.5	G413 L417 A442 S443 W444 L475 D476	A398-G413 VanDerWaalsContact CB-C 3.49Å; A398-L417 HydrophobicContact CB-CB 4.1Å; A398-L417 HydrophobicContact CB-CD2 4.23Å; A398-A442 PolarHBondContact N-O 3.48Å; A398-S443 WeakPolarHBondContact O-CA 3.42Å; A398-W444 PolarHBondContact O-N 3.2Å; A398-L475 HydrophobicContact CB-CB 4.19Å; A398-D476 VanDerWaalsContact CA-OD1 3.31Å; A398-D476 WeakPolarHBondContact CA-OD1 3.49Å
399	Q	97.3	Very high	95.7	Very high	4 Å²	4	13 Å²	13	2%	0.019	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.1	168.2	-180	177.8	-16.6	0	0	110.3	D401 A410 T414 E448 D476	Q399-D401 WeakPolarHBondContact CG-O 3.46Å; Q399-D401 WeakPolarHBondContact CG-OD1 3.36Å; Q399-D401 PolarHBondContact NE2-O 3.45Å; Q399-A410 WeakPolarHBondContact O-CA 3.45Å; Q399-T414 PolarHBondContact O-OG1 3.38Å; Q399-E448 VanDerWaalsContact NE2-N 3.2Å; Q399-D476 WeakPolarHBondContact CB-OD1 3.45Å; Q399-D476 PolarHBondContact N-OD1 3.14Å
400	R	96.6	Very high	95.8	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	7%	0.066	C	C	.	.			trans	-111.5	-34	-177.8	-167.3	173.2	49.2	54.8	2.2	113	R148 D155 L158 I162 H378 A410 S443 W444	R148-R400 VanDerWaalsContact CD-O 3.24Å; R148-R400 WeakPolarHBondContact CD-O 2.9Å; D155-R400 PolarHBondContact O-NH1 3.26Å; D155-R400 IonicContact OD1-CZ 3.77Å; D155-R400 IonicContact OD1-NH1 2.97Å; D155-R400 PolarHBondContact OD1-NH1 3.34Å; D155-R400 IonicContact OD1-NH2 3.69Å; D155-R400 IonicContact OD2-CZ 3.07Å; D155-R400 IonicContact OD2-NH1 3.92Å; D155-R400 PolarHBondContact OD2-NH1 3.09Å; D155-R400 IonicContact OD2-NH2 2.66Å; D155-R400 PolarHBondContact OD2-NH2 3.24Å; L158-R400 HydrophobicContact CB-CG 4.14Å; L158-R400 HydrophobicContact CD1-CG 4.36Å; I162-R400 HydrophobicContact CD1-CG 4.37Å; H378-R400 PolarHBondContact O-NH2 3.44Å; H378-R400 VanDerWaalsContact O-NH2 3.07Å; R400-A410 WeakPolarHBondContact O-CB 3.16Å; R400-S443 WeakPolarHBondContact CD-OG 3.48Å; R400-W444 VanDerWaalsContact CB-O 3.29Å; R400-W444 WeakPolarHBondContact CB-O 3.41Å; R400-W444 PolarHBondContact N-O 3.25Å
401	D	96.8	Very high	95.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.			trans	-80.3	160.9	176.9	67.9	-65.9	0	0	0	111.9	R148 A150 Q399 S445 A446 G447 E448	R148-D401 WeakPolarHBondContact O-CA 3.19Å; R148-D401 WeakPolarHBondContact O-CB 3.47Å; A150-D401 HydrophobicContact CB-CB 3.95Å; Q399-D401 WeakPolarHBondContact CG-O 3.46Å; Q399-D401 WeakPolarHBondContact CG-OD1 3.36Å; Q399-D401 PolarHBondContact NE2-O 3.45Å; D401-S445 WeakPolarHBondContact OD1-CA 3.46Å; D401-A446 PolarHBondContact OD1-N 3.31Å; D401-A446 WeakPolarHBondContact OD2-CA 3.26Å; D401-A446 PolarHBondContact OD2-N 3.06Å; D401-G447 VanDerWaalsContact CG-N 3.28Å; D401-G447 PolarHBondContact OD1-N 2.82Å; D401-G447 PolarHBondContact OD2-N 2.87Å; D401-E448 PolarHBondContact OD2-N 2.78Å
402	A	95.6	Very high	96	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.008	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-162.8	156.9	173.5	0	0	0	0	0	110.5	R148 G404 K409 A410 E448	R148-A402 CarbonylContact C-O 3.31Å; R148-A402 HydrophobicContact CG-CB 3.86Å; R148-A402 PolarHBondContact O-N 2.8Å; R148-A402 VanDerWaalsContact O-N 3.1Å; A402-G404 PolarHBondContact O-N 3.47Å; A402-K409 HydrophobicContact CB-CB 4.46Å; A402-K409 HydrophobicContact CB-CG 4.18Å; A402-A410 HydrophobicContact CB-CB 4.4Å; A402-E448 WeakPolarHBondContact CA-OE1 3.44Å
403	W	92.9	Very high	96.1	Very high	18 Å²	18	7.3 Å²	7.3	7%	0.068	4%	0.038	C	C	.	.	S	Bend	trans	-73	117	162.7	-65	-57.5	0	0	0	109.3	Y205 A207 Y285 G286 H287 E448 F449	Y205-W403 AromaticContact CZ-NE1 3.76Å; Y205-W403 PolarHBondContact OH-NE1 2.92Å; A207-W403 HydrophobicContact CB-CZ2 4.33Å; Y285-W403 VanDerWaalsContact CB-CE3 3.45Å; Y285-W403 HydrophobicContact CD1-CB 4.45Å; Y285-W403 HydrophobicContact CD1-CG 4.4Å; Y285-W403 HydrophobicContact CD2-CB 4.38Å; Y285-W403 HydrophobicContact CG-CB 4.01Å; Y285-W403 HydrophobicContact CG-CD2 4.42Å; Y285-W403 HydrophobicContact CG-CG 4.17Å; G286-W403 WeakPolarHBondContact O-CH2 3.38Å; H287-W403 HydrophobicContact CB-CH2 4.44Å; W403-E448 HydrophobicContact CD2-CB 3.87Å; W403-E448 HydrophobicContact CD2-CG 3.9Å; W403-E448 HydrophobicContact CE3-CB 3.92Å; W403-E448 HydrophobicContact CE3-CG 3.87Å; W403-E448 HydrophobicContact CG-CG 4.34Å; W403-E448 HydrophobicContact CH2-CB 3.74Å; W403-E448 WeakPolarHBondContact CH2-O 3.32Å; W403-E448 HydrophobicContact CZ2-CB 3.72Å; W403-E448 HydrophobicContact CZ3-CB 3.85Å; W403-E448 HydrophobicContact CZ3-CG 4.2Å; W403-E448 VanDerWaalsContact CZ3-OE2 3.24Å; W403-E448 WeakPolarHBondContact CZ3-OE2 3.38Å; W403-E448 PolarHBondContact N-OE1 3.26Å; W403-F449 AromaticContact NE1-CE2 3.98Å; W403-F449 AromaticContact NE1-CZ 3.69Å
404	G	90.4	Very high	96.3	Very high	28 Å²	28	7 Å²	7	29%	0.289	4%	0.037	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-135.5	-175.4	0	0	0	0	0	112.9	Q146 N147 R148 A402	Q146-G404 CarbonylContact O-C 3.58Å; N147-G404 WeakPolarHBondContact CA-O 3.29Å; R148-G404 PolarHBondContact N-O 2.77Å; A402-G404 PolarHBondContact O-N 3.47Å
405	R	92.5	Very high	96.3	Very high	53 Å²	53	7 Å²	7	20%	0.2	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-38.1	-172.2	-179.2	157.7	-164.9	175.4	-0	113.8	D144 K145 Q146 R148 Y407	D144-R405 VanDerWaalsContact CG-NH2 3.31Å; D144-R405 IonicContact OD1-CZ 3.51Å; D144-R405 IonicContact OD1-NE 3.62Å; D144-R405 PolarHBondContact OD1-NE 3.46Å; D144-R405 IonicContact OD1-NH2 2.64Å; D144-R405 PolarHBondContact OD1-NH2 2.86Å; D144-R405 IonicContact OD2-CZ 2.82Å; D144-R405 IonicContact OD2-NE 3.33Å; D144-R405 IonicContact OD2-NH2 3.46Å; D144-R405 PolarHBondContact OD2-NH2 3.03Å; K145-R405 WeakPolarHBondContact O-CG 3.3Å; Q146-R405 WeakPolarHBondContact O-CA 3.44Å; Q146-R405 PolarHBondContact O-N 3.31Å; R148-R405 PolarHBondContact NE-O 3.34Å; R148-R405 PolarHBondContact NH2-O 3.32Å; R405-Y407 PolarHBondContact O-N 3.18Å
406	G	94.6	Very high	96.3	Very high	1 Å²	1	7 Å²	7	1%	0.01	4%	0.037	C	C	.	.			trans	53.4	49.7	176.1	0	0	0	0	0	114.6	A410 T411 D568	G406-A410 PolarHBondContact O-N 2.89Å; G406-T411 PolarHBondContact O-N 2.89Å; G406-T411 VanDerWaalsContact O-N 3.14Å; G406-T411 PolarHBondContact O-OG1 3.09Å; G406-D568 VanDerWaalsContact C-OD2 3.25Å; G406-D568 VanDerWaalsContact CA-OD2 3.31Å; G406-D568 WeakPolarHBondContact CA-OD2 3.47Å
407	Y	96.3	Very high	96.3	Very high	6 Å²	6	7 Å²	7	2%	0.024	4%	0.037	C	C	.	.	I	π-helix	trans	-64.8	-56.3	-177.2	-165.6	-97.3	0	0	0	111.8	D144 R405 T411 V412 D568 M570 L573 T581	D144-Y407 HydrophobicContact CB-CD2 4.38Å; D144-Y407 HydrophobicContact CB-CE2 4.06Å; R405-Y407 PolarHBondContact O-N 3.18Å; Y407-T411 HydrophobicContact CD2-CG2 4.13Å; Y407-T411 HydrophobicContact CE2-CG2 4.01Å; Y407-T411 WeakPolarHBondContact O-CA 3.41Å; Y407-T411 WeakPolarHBondContact O-CB 3.41Å; Y407-T411 PolarHBondContact O-N 3.07Å; Y407-T411 VanDerWaalsContact O-N 3.08Å; Y407-V412 HydrophobicContact CE1-CG2 4.49Å; Y407-V412 PolarHBondContact O-N 2.95Å; Y407-V412 VanDerWaalsContact O-N 3.08Å; Y407-D568 PolarHBondContact N-O 3.24Å; Y407-D568 VanDerWaalsContact N-O 3.11Å; Y407-D568 PolarHBondContact N-OD2 3.31Å; Y407-D568 VanDerWaalsContact N-OD2 3.12Å; Y407-M570 HydrophobicContact CD1-CB 4.31Å; Y407-M570 HydrophobicContact CD2-CB 4.03Å; Y407-M570 HydrophobicContact CE1-CB 4.04Å; Y407-M570 HydrophobicContact CE1-CG 4.08Å; Y407-M570 HydrophobicContact CE2-CB 3.75Å; Y407-M570 HydrophobicContact CE2-CG 4.1Å; Y407-M570 HydrophobicContact CG-CB 4.3Å; Y407-L573 HydrophobicContact CD1-CB 4.15Å; Y407-L573 HydrophobicContact CD1-CD2 3.79Å; Y407-L573 HydrophobicContact CE1-CB 4.45Å; Y407-L573 HydrophobicContact CE1-CD2 3.88Å; Y407-T581 HydrophobicContact CE1-CG2 4.38Å
408	T	95.4	Very high	96.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-70.6	-41.9	175.6	-52.6	0	0	0	0	111.2	A410 V479 M480 Y560 Y563 D568	T408-A410 PolarHBondContact O-N 3.19Å; T408-V479 WeakPolarHBondContact CG2-O 3.39Å; T408-M480 HydrophobicContact CG2-CG 3.87Å; T408-Y560 HydrophobicContact CG2-CD1 4.24Å; T408-Y560 HydrophobicContact CG2-CE1 4.22Å; T408-Y560 VanDerWaalsContact OG1-CE1 3.31Å; T408-Y560 WeakPolarHBondContact OG1-CE1 3.21Å; T408-Y560 VanDerWaalsContact OG1-CZ 3.26Å; T408-Y560 PolarHBondContact OG1-OH 2.99Å; T408-Y563 HydrophobicContact CG2-CE2 3.95Å; T408-D568 WeakPolarHBondContact CB-OD1 3.48Å; T408-D568 VanDerWaalsContact N-CG 3.35Å; T408-D568 PolarHBondContact N-OD1 2.9Å; T408-D568 PolarHBondContact N-OD2 3.46Å; T408-D568 VanDerWaalsContact N-OD2 3.1Å; T408-D568 PolarHBondContact OG1-OD1 3.39Å
409	K	94	Very high	96.3	Very high	34 Å²	34	7.6 Å²	7.6	15%	0.148	4%	0.04	C	C	.	.	I	π-helix	trans	-58.6	-47.7	-177.4	-175.5	69.6	156.7	-178.4	0	113.2	A402 E448 Y563 D568	A402-K409 HydrophobicContact CB-CB 4.46Å; A402-K409 HydrophobicContact CB-CG 4.18Å; K409-E448 WeakPolarHBondContact CE-OE1 3.29Å; K409-E448 WeakPolarHBondContact CE-OE2 3.47Å; K409-E448 WeakPolarHBondContact CG-OE1 3.04Å; K409-E448 IonicContact NZ-OE2 3.46Å; K409-E448 PolarHBondContact NZ-OE2 3.14Å; K409-Y563 HydrophobicContact CD-CD1 3.73Å; K409-Y563 HydrophobicContact CD-CE1 3.23Å; K409-Y563 HydrophobicContact CG-CE1 4.45Å; K409-D568 WeakPolarHBondContact CB-OD2 3.19Å; K409-D568 PolarHBondContact N-OD2 3.11Å
410	A	95.7	Very high	96.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-126.5	-41.3	-170.4	0	0	0	0	0	114.2	Q399 R400 A402 G406 T408 V412 T414	Q399-A410 WeakPolarHBondContact O-CA 3.45Å; R400-A410 WeakPolarHBondContact O-CB 3.16Å; A402-A410 HydrophobicContact CB-CB 4.4Å; G406-A410 PolarHBondContact O-N 2.89Å; T408-A410 PolarHBondContact O-N 3.19Å; A410-V412 PolarHBondContact O-N 3.33Å; A410-T414 VanDerWaalsContact O-CB 3.26Å; A410-T414 WeakPolarHBondContact O-CB 3.44Å; A410-T414 PolarHBondContact O-N 3.4Å; A410-T414 PolarHBondContact O-OG1 3.25Å
411	T	97.3	Very high	96.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-65.1	-44.1	-173.2	-51.1	0	0	0	0	112.2	L140 F143 D144 R148 G406 Y407 S415	L140-T411 HydrophobicContact CD2-CG2 4.42Å; L140-T411 WeakPolarHBondContact O-CG2 3.37Å; F143-T411 HydrophobicContact CB-CG2 4.11Å; D144-T411 HydrophobicContact CB-CG2 4.36Å; R148-T411 PolarHBondContact NH1-OG1 3.15Å; R148-T411 PolarHBondContact NH2-OG1 2.67Å; G406-T411 PolarHBondContact O-N 2.89Å; G406-T411 VanDerWaalsContact O-N 3.14Å; G406-T411 PolarHBondContact O-OG1 3.09Å; Y407-T411 HydrophobicContact CD2-CG2 4.13Å; Y407-T411 HydrophobicContact CE2-CG2 4.01Å; Y407-T411 WeakPolarHBondContact O-CA 3.41Å; Y407-T411 WeakPolarHBondContact O-CB 3.41Å; Y407-T411 PolarHBondContact O-N 3.07Å; Y407-T411 VanDerWaalsContact O-N 3.08Å; T411-S415 VanDerWaalsContact O-CB 3.31Å; T411-S415 WeakPolarHBondContact O-CB 3.25Å; T411-S415 PolarHBondContact O-N 2.91Å; T411-S415 PolarHBondContact O-OG 2.71Å
412	V	98	Very high	96.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.6	-53	179.5	174.8	0	0	0	0	110.8	L140 Y407 A410 T414 S415 V416 V479 L573 T585	L140-V412 HydrophobicContact CD2-CG2 4.06Å; Y407-V412 HydrophobicContact CE1-CG2 4.49Å; Y407-V412 PolarHBondContact O-N 2.95Å; Y407-V412 VanDerWaalsContact O-N 3.08Å; A410-V412 PolarHBondContact O-N 3.33Å; V412-T414 PolarHBondContact O-N 2.97Å; V412-S415 WeakPolarHBondContact O-CB 3.46Å; V412-S415 PolarHBondContact O-N 3.07Å; V412-S415 VanDerWaalsContact O-N 3.13Å; V412-V416 WeakPolarHBondContact O-CG2 3.41Å; V412-V416 PolarHBondContact O-N 2.97Å; V412-V479 HydrophobicContact CG1-CB 3.96Å; V412-V479 HydrophobicContact CG1-CG2 3.87Å; V412-L573 HydrophobicContact CG2-CD2 3.64Å; V412-T585 HydrophobicContact CG1-CG2 4.09Å
413	G	97.8	Very high	96.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.5	-46.3	-179.6	0	0	0	0	0	112.3	A398 S415 V416 L417 L475	A398-G413 VanDerWaalsContact CB-C 3.49Å; G413-S415 VanDerWaalsContact C-N 3.3Å; G413-S415 PolarHBondContact O-N 3.09Å; G413-V416 PolarHBondContact O-N 2.8Å; G413-L417 PolarHBondContact O-N 2.9Å; G413-L475 WeakPolarHBondContact CA-O 3.11Å
414	T	98.1	Very high	96.9	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-59.5	-40.4	174.9	-63.4	0	0	0	0	111.7	F143 I162 Q399 A410 V412 L417 I418	F143-T414 HydrophobicContact CD1-CG2 3.68Å; F143-T414 HydrophobicContact CE1-CG2 4Å; F143-T414 HydrophobicContact CG-CG2 4.08Å; I162-T414 HydrophobicContact CD1-CG2 3.72Å; I162-T414 HydrophobicContact CG1-CG2 4.48Å; Q399-T414 PolarHBondContact O-OG1 3.38Å; A410-T414 VanDerWaalsContact O-CB 3.26Å; A410-T414 WeakPolarHBondContact O-CB 3.44Å; A410-T414 PolarHBondContact O-N 3.4Å; A410-T414 PolarHBondContact O-OG1 3.25Å; V412-T414 PolarHBondContact O-N 2.97Å; T414-L417 WeakPolarHBondContact O-CB 3.08Å; T414-L417 PolarHBondContact O-N 3.4Å; T414-I418 HydrophobicContact CG2-CG1 4.49Å; T414-I418 VanDerWaalsContact O-CG1 3.3Å; T414-I418 WeakPolarHBondContact O-CG1 3.49Å; T414-I418 PolarHBondContact O-N 2.79Å
415	S	98.5	Very high	97.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.9	-40.8	177.7	-60.8	0	0	0	0	112.1	T411 V412 G413 I418 E419	T411-S415 VanDerWaalsContact O-CB 3.31Å; T411-S415 WeakPolarHBondContact O-CB 3.25Å; T411-S415 PolarHBondContact O-N 2.91Å; T411-S415 PolarHBondContact O-OG 2.71Å; V412-S415 WeakPolarHBondContact O-CB 3.46Å; V412-S415 PolarHBondContact O-N 3.07Å; V412-S415 VanDerWaalsContact O-N 3.13Å; G413-S415 VanDerWaalsContact C-N 3.3Å; G413-S415 PolarHBondContact O-N 3.09Å; S415-I418 PolarHBondContact O-N 3.44Å; S415-E419 WeakPolarHBondContact O-CG 3.37Å; S415-E419 PolarHBondContact O-N 2.98Å
416	V	98.8	Very high	97.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.3	-44.9	174.3	174.7	0	0	0	0	111	F136 V412 G413 I418 E419 L420 L475 T585 A589	F136-V416 HydrophobicContact CE1-CG2 4.07Å; V412-V416 WeakPolarHBondContact O-CG2 3.41Å; V412-V416 PolarHBondContact O-N 2.97Å; G413-V416 PolarHBondContact O-N 2.8Å; V416-I418 PolarHBondContact O-N 3.38Å; V416-E419 PolarHBondContact O-N 2.91Å; V416-L420 HydrophobicContact CG1-CD1 3.8Å; V416-L420 HydrophobicContact CG1-CG 4.35Å; V416-L420 WeakPolarHBondContact O-CB 3.36Å; V416-L420 WeakPolarHBondContact O-CG 3.22Å; V416-L420 PolarHBondContact O-N 2.96Å; V416-L475 HydrophobicContact CB-CD1 4.4Å; V416-L475 HydrophobicContact CG1-CD1 3.99Å; V416-L475 HydrophobicContact CG1-CD2 3.9Å; V416-L475 HydrophobicContact CG1-CG 4.42Å; V416-T585 HydrophobicContact CG2-CG2 3.52Å; V416-A589 HydrophobicContact CG1-CB 3.84Å; V416-A589 HydrophobicContact CG2-CB 4.39Å
417	L	98.8	Very high	97.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56.4	-49.5	176.9	-171.5	78.1	0	0	0	111.5	F166 L396 A398 G413 T414 A421 F441 A442 L475	F166-L417 HydrophobicContact CZ-CD2 4.41Å; L396-L417 HydrophobicContact CB-CD1 3.98Å; L396-L417 WeakPolarHBondContact O-CD1 3.41Å; A398-L417 HydrophobicContact CB-CB 4.1Å; A398-L417 HydrophobicContact CB-CD2 4.23Å; G413-L417 PolarHBondContact O-N 2.9Å; T414-L417 WeakPolarHBondContact O-CB 3.08Å; T414-L417 PolarHBondContact O-N 3.4Å; L417-A421 WeakPolarHBondContact O-CB 3.49Å; L417-A421 PolarHBondContact O-N 3.49Å; L417-F441 HydrophobicContact CD1-CB 3.91Å; L417-F441 HydrophobicContact CD1-CD1 3.9Å; L417-F441 HydrophobicContact CD1-CG 4.42Å; L417-F441 HydrophobicContact CG-CB 4.21Å; L417-F441 HydrophobicContact CG-CD1 4.39Å; L417-A442 WeakPolarHBondContact CD2-O 3.34Å; L417-L475 HydrophobicContact CB-CD1 3.92Å; L417-L475 HydrophobicContact CD1-CD1 3.83Å
418	I	98.6	Very high	97.4	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-68	-44.5	-177.3	-67.2	-66	0	0	0	112.3	T139 F143 I162 T165 F166 T414 S415 V416 A421 K422	T139-I418 HydrophobicContact CG2-CB 4.38Å; T139-I418 HydrophobicContact CG2-CG2 4.26Å; F143-I418 HydrophobicContact CE2-CB 4.46Å; F143-I418 HydrophobicContact CE2-CG1 4.02Å; F143-I418 HydrophobicContact CE2-CG2 4.29Å; F143-I418 HydrophobicContact CZ-CD1 4.3Å; F143-I418 HydrophobicContact CZ-CG1 3.88Å; I162-I418 HydrophobicContact CB-CD1 4.41Å; I162-I418 HydrophobicContact CG1-CD1 4.13Å; I162-I418 HydrophobicContact CG2-CD1 3.97Å; T165-I418 HydrophobicContact CG2-CD1 4.2Å; T165-I418 HydrophobicContact CG2-CG2 4.08Å; F166-I418 HydrophobicContact CE1-CD1 3.9Å; F166-I418 HydrophobicContact CZ-CD1 4.25Å; T414-I418 HydrophobicContact CG2-CG1 4.49Å; T414-I418 VanDerWaalsContact O-CG1 3.3Å; T414-I418 WeakPolarHBondContact O-CG1 3.49Å; T414-I418 PolarHBondContact O-N 2.79Å; S415-I418 PolarHBondContact O-N 3.44Å; V416-I418 PolarHBondContact O-N 3.38Å; I418-A421 PolarHBondContact O-N 3.01Å; I418-K422 HydrophobicContact CG2-CD 4.27Å; I418-K422 VanDerWaalsContact O-CG 3.31Å; I418-K422 WeakPolarHBondContact O-CG 3.33Å; I418-K422 PolarHBondContact O-N 3.44Å
419	E	98.6	Very high	97.4	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-68.1	-35.1	178.8	-70.9	-51.6	124.3	0	0	112.3	L131 A135 F136 T139 S415 V416 K422 A423	L131-E419 HydrophobicContact CD2-CB 4.39Å; A135-E419 WeakPolarHBondContact CB-OE2 3.39Å; F136-E419 HydrophobicContact CD1-CB 4.45Å; F136-E419 HydrophobicContact CD1-CG 3.9Å; F136-E419 HydrophobicContact CE1-CB 3.61Å; F136-E419 HydrophobicContact CE1-CG 3.53Å; F136-E419 HydrophobicContact CE2-CB 4.07Å; F136-E419 HydrophobicContact CE2-CG 4.25Å; F136-E419 HydrophobicContact CG-CG 4.39Å; F136-E419 HydrophobicContact CZ-CB 3.37Å; F136-E419 HydrophobicContact CZ-CG 3.72Å; T139-E419 WeakPolarHBondContact CB-OE1 3.23Å; T139-E419 HydrophobicContact CG2-CG 4.28Å; T139-E419 PolarHBondContact OG1-OE1 2.97Å; S415-E419 WeakPolarHBondContact O-CG 3.37Å; S415-E419 PolarHBondContact O-N 2.98Å; V416-E419 PolarHBondContact O-N 2.91Å; E419-K422 PolarHBondContact O-N 3.45Å; E419-K422 WeakPolarHBondContact OE1-CD 3.35Å; E419-K422 IonicContact OE1-NZ 3.42Å; E419-K422 PolarHBondContact OE1-NZ 3.11Å; E419-A423 WeakPolarHBondContact O-CB 3.26Å; E419-A423 PolarHBondContact O-N 3.34Å
420	L	98.7	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-44.4	171.8	-76.8	175.2	0	0	0	111.7	L131 L396 V416 K422 A423 F424 F441 A589 A592	L131-L420 HydrophobicContact CD1-CD2 3.94Å; L131-L420 HydrophobicContact CD2-CD2 4.18Å; L396-L420 HydrophobicContact CD2-CD1 3.85Å; V416-L420 HydrophobicContact CG1-CD1 3.8Å; V416-L420 HydrophobicContact CG1-CG 4.35Å; V416-L420 WeakPolarHBondContact O-CB 3.36Å; V416-L420 WeakPolarHBondContact O-CG 3.22Å; V416-L420 PolarHBondContact O-N 2.96Å; L420-K422 VanDerWaalsContact C-N 3.3Å; L420-K422 PolarHBondContact O-N 2.9Å; L420-A423 PolarHBondContact O-N 3.06Å; L420-F424 HydrophobicContact CB-CD2 4.46Å; L420-F424 HydrophobicContact CD2-CE2 4.12Å; L420-F424 WeakPolarHBondContact O-CD2 3.48Å; L420-F424 PolarHBondContact O-N 3.43Å; L420-F441 HydrophobicContact CB-CE1 3.98Å; L420-A589 HydrophobicContact CD2-CB 4.49Å; L420-A589 HydrophobicContact CG-CB 4.39Å; L420-A592 HydrophobicContact CD1-CB 4.17Å
421	A	98.4	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.9	-44.5	175.3	0	0	0	0	0	111.8	F166 L169 M171 L417 I418 Q425 F441	F166-A421 HydrophobicContact CD1-CB 4.19Å; F166-A421 HydrophobicContact CE1-CB 3.66Å; L169-A421 HydrophobicContact CD1-CB 4.33Å; M171-A421 HydrophobicContact CE-CB 3.83Å; M171-A421 VanDerWaalsContact CE-O 3.31Å; M171-A421 WeakPolarHBondContact CE-O 3.43Å; L417-A421 WeakPolarHBondContact O-CB 3.49Å; L417-A421 PolarHBondContact O-N 3.49Å; I418-A421 PolarHBondContact O-N 3.01Å; A421-Q425 WeakPolarHBondContact O-CB 3.4Å; A421-Q425 PolarHBondContact O-N 3.43Å; A421-F441 HydrophobicContact CB-CD1 4.01Å; A421-F441 HydrophobicContact CB-CD2 3.97Å; A421-F441 HydrophobicContact CB-CE1 4.07Å; A421-F441 HydrophobicContact CB-CE2 4.03Å; A421-F441 HydrophobicContact CB-CG 3.97Å; A421-F441 HydrophobicContact CB-CZ 4.08Å
422	K	98.1	Very high	97.1	Very high	67 Å²	67	29.2 Å²	29.2	29%	0.291	14%	0.139	S	C	.	.	H	α-helix	trans	-60.5	-50.1	174	-70.5	171.8	-174.8	168.5	0	111.9	L169 I418 E419 L420 Q425 E426	L169-K422 HydrophobicContact CD1-CB 4.49Å; L169-K422 HydrophobicContact CD1-CG 3.79Å; L169-K422 HydrophobicContact CD2-CB 4.42Å; L169-K422 HydrophobicContact CD2-CG 3.85Å; L169-K422 HydrophobicContact CG-CG 4.41Å; I418-K422 HydrophobicContact CG2-CD 4.27Å; I418-K422 VanDerWaalsContact O-CG 3.31Å; I418-K422 WeakPolarHBondContact O-CG 3.33Å; I418-K422 PolarHBondContact O-N 3.44Å; E419-K422 PolarHBondContact O-N 3.45Å; E419-K422 WeakPolarHBondContact OE1-CD 3.35Å; E419-K422 IonicContact OE1-NZ 3.42Å; E419-K422 PolarHBondContact OE1-NZ 3.11Å; L420-K422 VanDerWaalsContact C-N 3.3Å; L420-K422 PolarHBondContact O-N 2.9Å; K422-Q425 PolarHBondContact O-N 2.9Å; K422-E426 VanDerWaalsContact O-CB 3.32Å; K422-E426 WeakPolarHBondContact O-CB 3.13Å; K422-E426 PolarHBondContact O-N 3.28Å
423	A	98.3	Very high	97	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-50.7	-176.3	0	0	0	0	0	111.9	L127 K130 L131 E419 L420 E426 M427	L127-A423 HydrophobicContact CD1-CB 4.12Å; K130-A423 HydrophobicContact CB-CB 3.92Å; K130-A423 HydrophobicContact CD-CB 4.46Å; L131-A423 HydrophobicContact CD2-CB 3.99Å; L131-A423 HydrophobicContact CG-CB 4.42Å; E419-A423 WeakPolarHBondContact O-CB 3.26Å; E419-A423 PolarHBondContact O-N 3.34Å; L420-A423 PolarHBondContact O-N 3.06Å; A423-E426 PolarHBondContact O-N 2.87Å; A423-M427 VanDerWaalsContact O-CG 3.3Å; A423-M427 WeakPolarHBondContact O-CG 3.4Å; A423-M427 PolarHBondContact O-N 2.74Å
424	F	97.9	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-42.8	178.4	-82.8	-74.7	0	0	0	112.1	L127 I384 L420 E426 M427 V428 F433 I439 F441 G593 V596 L597	L127-F424 HydrophobicContact CD1-CE2 4.21Å; L127-F424 HydrophobicContact CD1-CZ 4.27Å; L127-F424 HydrophobicContact CD2-CZ 4.4Å; I384-F424 HydrophobicContact CD1-CB 3.51Å; L420-F424 HydrophobicContact CB-CD2 4.46Å; L420-F424 HydrophobicContact CD2-CE2 4.12Å; L420-F424 WeakPolarHBondContact O-CD2 3.48Å; L420-F424 PolarHBondContact O-N 3.43Å; F424-E426 VanDerWaalsContact C-N 3.28Å; F424-E426 PolarHBondContact O-N 3.47Å; F424-M427 PolarHBondContact O-N 2.99Å; F424-V428 WeakPolarHBondContact O-CG2 3.34Å; F424-V428 PolarHBondContact O-N 2.9Å; F424-F433 HydrophobicContact CD1-CE1 4.1Å; F424-F433 HydrophobicContact CE1-CE1 4.36Å; F424-I439 HydrophobicContact CB-CD1 4.48Å; F424-I439 HydrophobicContact CD1-CD1 3.66Å; F424-I439 HydrophobicContact CD2-CD1 4.49Å; F424-I439 HydrophobicContact CE1-CD1 3.9Å; F424-I439 HydrophobicContact CG-CD1 3.99Å; F424-I439 HydrophobicContact CZ-CD1 4.42Å; F424-F441 HydrophobicContact CB-CZ 4.4Å; F424-F441 HydrophobicContact CD2-CZ 4.08Å; F424-G593 WeakPolarHBondContact CZ-O 3.44Å; F424-V596 HydrophobicContact CE1-CG1 4.15Å; F424-V596 HydrophobicContact CE2-CB 4.31Å; F424-V596 HydrophobicContact CE2-CG1 3.97Å; F424-V596 HydrophobicContact CZ-CB 3.92Å; F424-V596 HydrophobicContact CZ-CG1 3.55Å; F424-L597 HydrophobicContact CE1-CB 4.43Å; F424-L597 HydrophobicContact CE1-CD1 3.93Å; F424-L597 HydrophobicContact CZ-CB 4.42Å
425	Q	96.8	Very high	96.7	Very high	17 Å²	17	35.3 Å²	35.3	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-37.4	178.5	-172.8	61.8	50.4	0	0	112	L169 M171 I384 A421 K422 V428 K429	L169-Q425 HydrophobicContact CB-CG 4.14Å; L169-Q425 VanDerWaalsContact O-CG 3.23Å; L169-Q425 WeakPolarHBondContact O-CG 3.46Å; M171-Q425 HydrophobicContact CE-CB 3.72Å; M171-Q425 HydrophobicContact CE-CG 4.2Å; I384-Q425 HydrophobicContact CD1-CB 4.29Å; A421-Q425 WeakPolarHBondContact O-CB 3.4Å; A421-Q425 PolarHBondContact O-N 3.43Å; K422-Q425 PolarHBondContact O-N 2.9Å; Q425-V428 PolarHBondContact O-N 3.4Å; Q425-K429 HydrophobicContact CG-CD 4.2Å; Q425-K429 WeakPolarHBondContact O-CB 3.33Å; Q425-K429 PolarHBondContact O-N 2.86Å
426	E	96.6	Very high	96.6	Very high	70 Å²	70	37 Å²	37	33%	0.327	17%	0.168	S	C	.	.	H	α-helix	trans	-65.6	-44.6	174.4	-175.3	169.2	120.5	0	0	111.7	K130 K422 A423 F424 V428 K429 K430	K130-E426 HydrophobicContact CD-CB 4.15Å; K130-E426 HydrophobicContact CD-CG 4.23Å; K130-E426 IonicContact NZ-OE1 2.91Å; K130-E426 PolarHBondContact NZ-OE1 3.16Å; K422-E426 VanDerWaalsContact O-CB 3.32Å; K422-E426 WeakPolarHBondContact O-CB 3.13Å; K422-E426 PolarHBondContact O-N 3.28Å; A423-E426 PolarHBondContact O-N 2.87Å; F424-E426 VanDerWaalsContact C-N 3.28Å; F424-E426 PolarHBondContact O-N 3.47Å; E426-V428 VanDerWaalsContact C-N 3.25Å; E426-V428 PolarHBondContact O-N 2.97Å; E426-K429 PolarHBondContact O-N 2.97Å; E426-K430 HydrophobicContact CG-CB 4.29Å; E426-K430 HydrophobicContact CG-CD 3.65Å; E426-K430 HydrophobicContact CG-CG 4.04Å; E426-K430 WeakPolarHBondContact O-CB 3.47Å; E426-K430 PolarHBondContact O-N 2.69Å; E426-K430 IonicContact OE2-NZ 2.98Å; E426-K430 PolarHBondContact OE2-NZ 3.41Å
427	M	96.6	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.1	-42.3	174.5	-69.5	171.5	67.3	0	0	111.7	V123 L126 L127 K130 A423 F424 D431 N432 F433 L597	V123-M427 HydrophobicContact CB-CE 4.18Å; V123-M427 WeakPolarHBondContact O-CE 3.31Å; L126-M427 HydrophobicContact CB-CE 4.08Å; L126-M427 HydrophobicContact CB-CG 4.47Å; L127-M427 HydrophobicContact CB-CE 4.29Å; L127-M427 HydrophobicContact CB-SD 3.9Å; L127-M427 HydrophobicContact CD1-SD 4Å; K130-M427 HydrophobicContact CD-CG 3.78Å; A423-M427 VanDerWaalsContact O-CG 3.3Å; A423-M427 WeakPolarHBondContact O-CG 3.4Å; A423-M427 PolarHBondContact O-N 2.74Å; F424-M427 PolarHBondContact O-N 2.99Å; M427-D431 WeakPolarHBondContact CA-OD2 3.16Å; M427-D431 CarbonylContact O-C 3.23Å; M427-D431 WeakPolarHBondContact O-CA 3.34Å; M427-D431 WeakPolarHBondContact O-CB 3.4Å; M427-D431 PolarHBondContact O-N 3.26Å; M427-D431 VanDerWaalsContact O-N 3.14Å; M427-N432 PolarHBondContact O-N 3.47Å; M427-F433 HydrophobicContact CB-CB 3.82Å; M427-F433 HydrophobicContact CB-CD1 4.05Å; M427-F433 HydrophobicContact CB-CG 4.28Å; M427-F433 HydrophobicContact CE-CB 4.46Å; M427-F433 HydrophobicContact CE-CD1 4.17Å; M427-F433 HydrophobicContact CE-CG 4.16Å; M427-F433 WeakPolarHBondContact O-CB 3.47Å; M427-F433 PolarHBondContact O-N 3.27Å; M427-L597 HydrophobicContact CE-CD1 4.23Å
428	V	95.6	Very high	96.4	Very high	34 Å²	34	37.1 Å²	37.1	21%	0.206	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-44.2	178.5	173.5	0	0	0	0	111.9	I384 F424 Q425 E426 F433 P435	I384-V428 HydrophobicContact CG2-CG2 3.92Å; F424-V428 WeakPolarHBondContact O-CG2 3.34Å; F424-V428 PolarHBondContact O-N 2.9Å; Q425-V428 PolarHBondContact O-N 3.4Å; E426-V428 VanDerWaalsContact C-N 3.25Å; E426-V428 PolarHBondContact O-N 2.97Å; V428-F433 WeakPolarHBondContact CA-O 3.35Å; V428-F433 HydrophobicContact CG2-CD1 3.98Å; V428-P435 HydrophobicContact CG2-CG 4.34Å
429	K	94.6	Very high	96.4	Very high	126 Å²	126	37.1 Å²	37.1	55%	0.548	17%	0.169	S	C	.	.	H	α-helix	trans	-80.2	-37.5	-174.5	-78.2	-178.6	167.2	-178.8	0	114.2	L169 Q425 E426	L169-K429 PolarHBondContact O-NZ 2.83Å; Q425-K429 HydrophobicContact CG-CD 4.2Å; Q425-K429 WeakPolarHBondContact O-CB 3.33Å; Q425-K429 PolarHBondContact O-N 2.86Å; E426-K429 PolarHBondContact O-N 2.97Å
430	K	95.3	Very high	96.4	Very high	147 Å²	147	36.9 Å²	36.9	64%	0.639	17%	0.168	S	C	*	.	H	α-helix	trans	-108.3	-33.6	-170	-59.3	-171.2	-168.3	158.8	0	113.1	E426	E426-K430 HydrophobicContact CG-CB 4.29Å; E426-K430 HydrophobicContact CG-CD 3.65Å; E426-K430 HydrophobicContact CG-CG 4.04Å; E426-K430 WeakPolarHBondContact O-CB 3.47Å; E426-K430 PolarHBondContact O-N 2.69Å; E426-K430 IonicContact OE2-NZ 2.98Å; E426-K430 PolarHBondContact OE2-NZ 3.41Å
431	D	94.2	Very high	96.4	Very high	46 Å²	46	36.9 Å²	36.9	25%	0.246	17%	0.168	C	C	.	.	S	Bend	trans	-106.4	8.2	-171.1	-50.7	-63.3	0	0	0	113.2	L126 K130 M427 F433	L126-D431 HydrophobicContact CD1-CB 3.92Å; L126-D431 HydrophobicContact CD2-CB 4.33Å; K130-D431 WeakPolarHBondContact CE-OD2 3.42Å; K130-D431 IonicContact NZ-OD1 2.75Å; K130-D431 IonicContact NZ-OD2 3.13Å; K130-D431 PolarHBondContact NZ-OD2 3.23Å; M427-D431 WeakPolarHBondContact CA-OD2 3.16Å; M427-D431 CarbonylContact O-C 3.23Å; M427-D431 WeakPolarHBondContact O-CA 3.34Å; M427-D431 WeakPolarHBondContact O-CB 3.4Å; M427-D431 PolarHBondContact O-N 3.26Å; M427-D431 VanDerWaalsContact O-N 3.14Å; D431-F433 PolarHBondContact O-N 3.05Å
432	N	91.9	Very high	96.4	Very high	88 Å²	88	36.9 Å²	36.9	47%	0.471	17%	0.168	S	C	.	.			trans	57.2	27.6	-179.8	-166.6	45.9	0	0	0	113.9	M427 R434	M427-N432 PolarHBondContact O-N 3.47Å; N432-R434 PolarHBondContact O-N 2.93Å
433	F	95.1	Very high	96.5	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.022	15%	0.154	C	C	.	.			trans	-69.9	130.3	170.1	174.6	-121.5	0	0	0	110.2	L118 V123 F424 M427 V428 D431 P435 L597 V600	L118-F433 HydrophobicContact CD1-CB 4.23Å; V123-F433 HydrophobicContact CG1-CD2 3.72Å; V123-F433 HydrophobicContact CG1-CE2 4.09Å; F424-F433 HydrophobicContact CD1-CE1 4.1Å; F424-F433 HydrophobicContact CE1-CE1 4.36Å; M427-F433 HydrophobicContact CB-CB 3.82Å; M427-F433 HydrophobicContact CB-CD1 4.05Å; M427-F433 HydrophobicContact CB-CG 4.28Å; M427-F433 HydrophobicContact CE-CB 4.46Å; M427-F433 HydrophobicContact CE-CD1 4.17Å; M427-F433 HydrophobicContact CE-CG 4.16Å; M427-F433 WeakPolarHBondContact O-CB 3.47Å; M427-F433 PolarHBondContact O-N 3.27Å; V428-F433 WeakPolarHBondContact CA-O 3.35Å; V428-F433 HydrophobicContact CG2-CD1 3.98Å; D431-F433 PolarHBondContact O-N 3.05Å; F433-P435 HydrophobicContact CE1-CB 3.84Å; F433-P435 HydrophobicContact CE1-CG 4.15Å; F433-P435 HydrophobicContact CZ-CB 3.84Å; F433-L597 HydrophobicContact CE1-CD1 4.03Å; F433-L597 HydrophobicContact CE2-CD1 3.87Å; F433-L597 HydrophobicContact CZ-CD1 3.48Å; F433-L597 VanDerWaalsContact CZ-CD1 3.48Å; F433-V600 HydrophobicContact CZ-CG2 4.01Å
434	R	94.4	Very high	96.5	Very high	124 Å²	124	33.8 Å²	33.8	47%	0.468	15%	0.153	S	C	.	.			trans	-123	92.7	-179.6	-65.6	-169	175.9	-152.1	-0.8	109.6	F387 N432 R436	F387-R434 HydrophobicContact CD1-CB 4.25Å; F387-R434 HydrophobicContact CD1-CG 4.18Å; F387-R434 HydrophobicContact CD2-CB 3.56Å; F387-R434 HydrophobicContact CD2-CG 4.04Å; F387-R434 HydrophobicContact CE1-CB 4.37Å; F387-R434 HydrophobicContact CE1-CG 3.87Å; F387-R434 HydrophobicContact CE2-CB 3.71Å; F387-R434 HydrophobicContact CE2-CG 3.72Å; F387-R434 HydrophobicContact CG-CB 3.84Å; F387-R434 HydrophobicContact CG-CG 4.25Å; F387-R434 HydrophobicContact CZ-CB 4.11Å; F387-R434 HydrophobicContact CZ-CG 3.62Å; N432-R434 PolarHBondContact O-N 2.93Å; R434-R436 PolarHBondContact O-N 2.86Å
435	P	95.8	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.153	C	C	.	.			trans	-63.4	134.9	177.8	27.7	-35.1	0	0	0	109.5	I384 G386 F387 V428 F433 R437 V600	I384-P435 HydrophobicContact CG2-CG 4.11Å; G386-P435 CarbonylContact C-O 3.57Å; G386-P435 VanDerWaalsContact CA-O 3.3Å; G386-P435 WeakPolarHBondContact CA-O 3.48Å; F387-P435 WeakPolarHBondContact CD2-O 3.3Å; F387-P435 PolarHBondContact N-O 3.03Å; V428-P435 HydrophobicContact CG2-CG 4.34Å; F433-P435 HydrophobicContact CE1-CB 3.84Å; F433-P435 HydrophobicContact CE1-CG 4.15Å; F433-P435 HydrophobicContact CZ-CB 3.84Å; P435-R437 VanDerWaalsContact C-N 3.34Å; P435-V600 HydrophobicContact CB-CB 3.99Å; P435-V600 HydrophobicContact CB-CG2 3.89Å
436	R	95.3	Very high	96.5	Very high	34 Å²	34	33 Å²	33	13%	0.128	15%	0.15	C	C	.	.	S	Bend	trans	-67.6	-39.3	178.2	-66.4	-179.7	175.7	-86.4	-6.6	111.3	F387 T388 D389 R434 V600 H601 H603	F387-R436 PolarHBondContact N-O 3.19Å; T388-R436 PolarHBondContact N-O 2.97Å; D389-R436 PolarHBondContact N-O 2.85Å; R434-R436 PolarHBondContact O-N 2.86Å; R436-V600 WeakPolarHBondContact CB-O 3.36Å; R436-V600 PolarHBondContact N-O 2.85Å; R436-H601 VanDerWaalsContact CD-O 3.3Å; R436-H601 WeakPolarHBondContact CD-O 3.42Å; R436-H601 PolarHBondContact NE-O 3.18Å; R436-H601 VanDerWaalsContact NE-O 3.16Å; R436-H603 PolarHBondContact NH1-CD2 3.48Å; R436-H603 VanDerWaalsContact NH1-CD2 3.25Å; R436-H603 PolarHBondContact NH1-NE2 2.99Å; R436-H603 PolarHBondContact NH2-CE1 3.03Å; R436-H603 PolarHBondContact NH2-NE2 3.43Å
437	R	96.8	Very high	96.4	Very high	2 Å²	2	30 Å²	30	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156.8	-178.4	-60.7	179.3	-169.3	83.4	9.1	110.6	G386 D389 R392 P435 F470 L599 V600 D602 H603 N677	G386-R437 VanDerWaalsContact CA-C 3.48Å; D389-R437 HydrophobicContact CB-CG 4.23Å; R392-R437 HydrophobicContact CB-CB 4.49Å; R392-R437 HydrophobicContact CB-CG 4.17Å; R392-R437 WeakPolarHBondContact O-CB 3.48Å; P435-R437 VanDerWaalsContact C-N 3.34Å; R437-F470 HydrophobicContact CB-CE1 3.93Å; R437-F470 HydrophobicContact CB-CZ 4.34Å; R437-F470 VanDerWaalsContact CD-CE1 3.42Å; R437-F470 HydrophobicContact CG-CE1 4.24Å; R437-L599 PolarHBondContact NH1-O 3.39Å; R437-V600 HydrophobicContact CB-CG1 4.23Å; R437-D602 PolarHBondContact NH1-O 3.42Å; R437-H603 PolarHBondContact NH2-O 2.81Å; R437-N677 PolarHBondContact NH2-ND2 3.1Å
438	S	97.8	Very high	96.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.6	179.8	-66.8	0	0	0	0	111.9	I384 K385 G386 P390 R392 Y393 V394	I384-S438 CarbonylContact O-C 3.41Å; I384-S438 VanDerWaalsContact O-CA 3.26Å; I384-S438 WeakPolarHBondContact O-CA 3.47Å; K385-S438 WeakPolarHBondContact CA-OG 3.43Å; G386-S438 PolarHBondContact N-OG 2.83Å; P390-S438 WeakPolarHBondContact CA-OG 3.46Å; P390-S438 PolarHBondContact O-OG 3.28Å; R392-S438 PolarHBondContact O-N 2.77Å; Y393-S438 VanDerWaalsContact CA-O 3.22Å; Y393-S438 WeakPolarHBondContact CA-O 3.48Å; Y393-S438 WeakPolarHBondContact CB-O 3.29Å; V394-S438 PolarHBondContact N-O 3.36Å
439	I	98.5	Very high	96.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.5	172.5	-54.6	167.6	0	0	0	107.5	V383 I384 V394 L396 F424 F441 V596 V600	V383-I439 WeakPolarHBondContact CA-O 3.49Å; I384-I439 HydrophobicContact CB-CB 4.38Å; I384-I439 PolarHBondContact N-O 3.45Å; I384-I439 PolarHBondContact O-N 3.24Å; V394-I439 HydrophobicContact CG1-CB 4.42Å; V394-I439 HydrophobicContact CG1-CG1 4.14Å; V394-I439 HydrophobicContact CG1-CG2 4.31Å; L396-I439 HydrophobicContact CD1-CG2 3.58Å; F424-I439 HydrophobicContact CB-CD1 4.48Å; F424-I439 HydrophobicContact CD1-CD1 3.66Å; F424-I439 HydrophobicContact CD2-CD1 4.49Å; F424-I439 HydrophobicContact CE1-CD1 3.9Å; F424-I439 HydrophobicContact CG-CD1 3.99Å; F424-I439 HydrophobicContact CZ-CD1 4.42Å; I439-F441 HydrophobicContact CB-CE2 4.36Å; I439-F441 HydrophobicContact CG2-CD2 4.35Å; I439-F441 HydrophobicContact CG2-CE1 4.15Å; I439-F441 HydrophobicContact CG2-CE2 3.7Å; I439-F441 HydrophobicContact CG2-CZ 3.58Å; I439-V596 HydrophobicContact CD1-CG1 3.86Å; I439-V596 HydrophobicContact CG1-CG1 4.03Å; I439-V596 HydrophobicContact CG2-CG1 4.19Å; I439-V600 HydrophobicContact CD1-CG1 4.4Å; I439-V600 HydrophobicContact CD1-CG2 4.12Å; I439-V600 HydrophobicContact CG1-CG1 3.8Å; I439-V600 HydrophobicContact CG1-CG2 4.43Å
440	I	98.4	Very high	96.2	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.041	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.5	173	-47.8	-158.8	0	0	0	108.9	W174 F381 G382 V383 Y393 V394 V395 L396	W174-I440 HydrophobicContact CH2-CD1 4.48Å; W174-I440 HydrophobicContact CH2-CG2 4.25Å; F381-I440 HydrophobicContact CD1-CG2 3.82Å; G382-I440 WeakPolarHBondContact O-CA 3.34Å; V383-I440 HydrophobicContact CG2-CB 4.2Å; V383-I440 HydrophobicContact CG2-CD1 4.1Å; V383-I440 HydrophobicContact CG2-CG1 3.82Å; V383-I440 HydrophobicContact CG2-CG2 4.03Å; Y393-I440 HydrophobicContact CD1-CD1 4.24Å; Y393-I440 HydrophobicContact CD2-CD1 3.23Å; Y393-I440 HydrophobicContact CD2-CG1 3.79Å; Y393-I440 HydrophobicContact CE2-CD1 3.54Å; Y393-I440 HydrophobicContact CG-CD1 3.62Å; Y393-I440 HydrophobicContact CG-CG1 3.95Å; V394-I440 PolarHBondContact O-N 3.18Å; V395-I440 CarbonylContact C-O 3.56Å; V395-I440 WeakPolarHBondContact CA-O 3.48Å; V395-I440 HydrophobicContact CG2-CB 4.13Å; V395-I440 HydrophobicContact CG2-CG1 4.44Å; L396-I440 PolarHBondContact N-O 3.02Å
441	F	98.8	Very high	96.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.8	168.3	-58.5	-83.8	0	0	0	107.8	F166 M171 F381 G382 I384 L396 L417 L420 A421 F424 I439	F166-F441 HydrophobicContact CE1-CB 4.21Å; F166-F441 HydrophobicContact CE2-CB 4.44Å; F166-F441 HydrophobicContact CZ-CB 3.74Å; M171-F441 HydrophobicContact CE-CD2 4.39Å; M171-F441 HydrophobicContact CE-CE2 4.18Å; F381-F441 CarbonylContact C-O 3.55Å; F381-F441 VanDerWaalsContact CA-O 3.26Å; F381-F441 WeakPolarHBondContact CA-O 3.43Å; G382-F441 PolarHBondContact N-O 3Å; G382-F441 PolarHBondContact O-N 3.2Å; I384-F441 HydrophobicContact CD1-CE2 3.84Å; I384-F441 HydrophobicContact CD1-CZ 4.38Å; I384-F441 HydrophobicContact CG1-CE2 4.12Å; L396-F441 HydrophobicContact CB-CD1 4.36Å; L396-F441 HydrophobicContact CD1-CD1 4.08Å; L396-F441 HydrophobicContact CD1-CE1 3.79Å; L396-F441 HydrophobicContact CD1-CZ 4.44Å; L417-F441 HydrophobicContact CD1-CB 3.91Å; L417-F441 HydrophobicContact CD1-CD1 3.9Å; L417-F441 HydrophobicContact CD1-CG 4.42Å; L417-F441 HydrophobicContact CG-CB 4.21Å; L417-F441 HydrophobicContact CG-CD1 4.39Å; L420-F441 HydrophobicContact CB-CE1 3.98Å; A421-F441 HydrophobicContact CB-CD1 4.01Å; A421-F441 HydrophobicContact CB-CD2 3.97Å; A421-F441 HydrophobicContact CB-CE1 4.07Å; A421-F441 HydrophobicContact CB-CE2 4.03Å; A421-F441 HydrophobicContact CB-CG 3.97Å; A421-F441 HydrophobicContact CB-CZ 4.08Å; F424-F441 HydrophobicContact CB-CZ 4.4Å; F424-F441 HydrophobicContact CD2-CZ 4.08Å; I439-F441 HydrophobicContact CB-CE2 4.36Å; I439-F441 HydrophobicContact CG2-CD2 4.35Å; I439-F441 HydrophobicContact CG2-CE1 4.15Å; I439-F441 HydrophobicContact CG2-CE2 3.7Å; I439-F441 HydrophobicContact CG2-CZ 3.58Å
442	A	98.6	Very high	96.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.3	-177.8	0	0	0	0	0	110.4	F381 V395 L396 G397 A398 L417 W444	F381-A442 HydrophobicContact CD1-CB 3.69Å; F381-A442 HydrophobicContact CE1-CB 3.58Å; V395-A442 HydrophobicContact CG1-CB 4.06Å; L396-A442 PolarHBondContact O-N 3.42Å; G397-A442 CarbonylContact C-O 3.56Å; G397-A442 WeakPolarHBondContact CA-O 3.43Å; A398-A442 PolarHBondContact N-O 3.48Å; L417-A442 WeakPolarHBondContact CD2-O 3.34Å; A442-W444 HydrophobicContact CB-CD2 4.33Å; A442-W444 HydrophobicContact CB-CH2 3.99Å; A442-W444 HydrophobicContact CB-CZ2 3.43Å; A442-W444 VanDerWaalsContact CB-CZ2 3.43Å
443	S	98.6	Very high	96.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.2	171.9	-174.3	0	0	0	0	109.3	I162 N379 V380 A398 R400	I162-S443 VanDerWaalsContact CD1-OG 3.27Å; I162-S443 WeakPolarHBondContact CD1-OG 3.37Å; N379-S443 WeakPolarHBondContact CA-O 3.47Å; V380-S443 PolarHBondContact N-O 3.29Å; V380-S443 PolarHBondContact O-N 2.94Å; A398-S443 WeakPolarHBondContact O-CA 3.42Å; R400-S443 WeakPolarHBondContact CD-OG 3.48Å
444	W	98.3	Very high	96.6	Very high	7 Å²	7	10.6 Å²	10.6	3%	0.027	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	145.3	-172.8	-53	116.7	0	0	0	111.9	N379 F381 A398 R400 A442 A454 W457 Y472 F539	N379-W444 HydrophobicContact CB-CE3 4.07Å; N379-W444 HydrophobicContact CB-CZ3 4.27Å; F381-W444 AromaticContact CE1-CH2 3.59Å; F381-W444 HydrophobicContact CE1-CH2 3.59Å; F381-W444 HydrophobicContact CE1-CZ2 4.3Å; F381-W444 AromaticContact CE1-CZ3 3.97Å; F381-W444 HydrophobicContact CE1-CZ3 3.97Å; F381-W444 HydrophobicContact CE2-CZ3 4.47Å; F381-W444 HydrophobicContact CZ-CE3 4.44Å; F381-W444 AromaticContact CZ-CH2 3.58Å; F381-W444 HydrophobicContact CZ-CH2 3.58Å; F381-W444 AromaticContact CZ-CZ3 3.48Å; F381-W444 HydrophobicContact CZ-CZ3 3.48Å; F381-W444 VanDerWaalsContact CZ-CZ3 3.48Å; A398-W444 PolarHBondContact O-N 3.2Å; R400-W444 VanDerWaalsContact CB-O 3.29Å; R400-W444 WeakPolarHBondContact CB-O 3.41Å; R400-W444 PolarHBondContact N-O 3.25Å; A442-W444 HydrophobicContact CB-CD2 4.33Å; A442-W444 HydrophobicContact CB-CH2 3.99Å; A442-W444 HydrophobicContact CB-CZ2 3.43Å; A442-W444 VanDerWaalsContact CB-CZ2 3.43Å; W444-A454 HydrophobicContact CD2-CB 3.71Å; W444-A454 VanDerWaalsContact CE3-CA 3.49Å; W444-A454 HydrophobicContact CE3-CB 3.92Å; W444-A454 HydrophobicContact CG-CB 4.05Å; W444-A454 HydrophobicContact CZ2-CB 4.32Å; W444-A454 HydrophobicContact CZ3-CB 4.3Å; W444-W457 HydrophobicContact CH2-CB 4.04Å; W444-W457 AromaticContact CH2-CD2 3.76Å; W444-W457 HydrophobicContact CH2-CD2 3.76Å; W444-W457 AromaticContact CH2-CE3 3.75Å; W444-W457 HydrophobicContact CH2-CE3 3.75Å; W444-W457 AromaticContact CH2-CG 3.89Å; W444-W457 HydrophobicContact CH2-CG 3.89Å; W444-W457 HydrophobicContact CH2-CZ3 4.48Å; W444-W457 HydrophobicContact CZ3-CB 3.73Å; W444-W457 HydrophobicContact CZ3-CD2 4.33Å; W444-W457 AromaticContact CZ3-CG 3.96Å; W444-W457 HydrophobicContact CZ3-CG 3.96Å; W444-Y472 HydrophobicContact CZ2-CE2 4.46Å; W444-Y472 AromaticContact NE1-CE2 3.92Å; W444-Y472 AromaticContact NE1-CZ 3.92Å; W444-Y472 PolarHBondContact NE1-OH 3.45Å; W444-F539 HydrophobicContact CH2-CZ 4.42Å; W444-F539 AromaticContact CZ2-CZ 3.77Å; W444-F539 HydrophobicContact CZ2-CZ 3.77Å
445	S	97.8	Very high	96.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-111.7	165.7	168	-174.2	0	0	0	0	111.1	D155 N379 D401 G447 G453	D155-S445 PolarHBondContact OD2-OG 3.18Å; N379-S445 PolarHBondContact OD1-N 2.94Å; N379-S445 VanDerWaalsContact OD1-N 3.17Å; D401-S445 WeakPolarHBondContact OD1-CA 3.46Å; S445-G447 PolarHBondContact O-N 3.01Å; S445-G453 WeakPolarHBondContact O-CA 3.38Å; S445-G453 PolarHBondContact O-N 3.08Å; S445-G453 VanDerWaalsContact O-N 3.09Å
446	A	96.8	Very high	96.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.			trans	53.6	35.3	-175.5	0	0	0	0	0	114.4	A150 L182 I377 D401 F449 V452	A150-A446 HydrophobicContact CB-CB 3.81Å; L182-A446 HydrophobicContact CD1-CB 4.31Å; L182-A446 HydrophobicContact CD2-CB 4.3Å; I377-A446 HydrophobicContact CD1-CB 4.04Å; I377-A446 HydrophobicContact CG2-CB 4.13Å; D401-A446 PolarHBondContact OD1-N 3.31Å; D401-A446 WeakPolarHBondContact OD2-CA 3.26Å; D401-A446 PolarHBondContact OD2-N 3.06Å; A446-F449 HydrophobicContact CB-CD2 4.47Å; A446-F449 PolarHBondContact O-N 3.1Å; A446-V452 HydrophobicContact CB-CB 3.71Å; A446-V452 HydrophobicContact CB-CG1 4.3Å; A446-V452 HydrophobicContact CB-CG2 4.23Å; A446-V452 WeakPolarHBondContact O-CB 3.47Å; A446-V452 PolarHBondContact O-N 2.94Å
447	G	95.6	Very high	96.4	Very high	7 Å²	7	3.7 Å²	3.7	7%	0.072	2%	0.021	C	C	.	.			trans	-65.6	-38	174.1	0	0	0	0	0	113.4	D401 S445 F449 G450 N451	D401-G447 VanDerWaalsContact CG-N 3.28Å; D401-G447 PolarHBondContact OD1-N 2.82Å; D401-G447 PolarHBondContact OD2-N 2.87Å; S445-G447 PolarHBondContact O-N 3.01Å; G447-F449 PolarHBondContact O-N 3.38Å; G447-F449 VanDerWaalsContact O-N 3.14Å; G447-G450 PolarHBondContact O-N 2.8Å; G447-N451 PolarHBondContact O-N 3.26Å
448	E	93.8	Very high	96.3	Very high	7 Å²	7	3.6 Å²	3.6	3%	0.033	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24	177.2	-68.9	-67.6	-165.7	0	0	113.3	H287 Q399 D401 A402 W403 K409 G450	H287-E448 PolarHBondContact CD2-O 3.35Å; Q399-E448 VanDerWaalsContact NE2-N 3.2Å; D401-E448 PolarHBondContact OD2-N 2.78Å; A402-E448 WeakPolarHBondContact CA-OE1 3.44Å; W403-E448 HydrophobicContact CD2-CB 3.87Å; W403-E448 HydrophobicContact CD2-CG 3.9Å; W403-E448 HydrophobicContact CE3-CB 3.92Å; W403-E448 HydrophobicContact CE3-CG 3.87Å; W403-E448 HydrophobicContact CG-CG 4.34Å; W403-E448 HydrophobicContact CH2-CB 3.74Å; W403-E448 WeakPolarHBondContact CH2-O 3.32Å; W403-E448 HydrophobicContact CZ2-CB 3.72Å; W403-E448 HydrophobicContact CZ3-CB 3.85Å; W403-E448 HydrophobicContact CZ3-CG 4.2Å; W403-E448 VanDerWaalsContact CZ3-OE2 3.24Å; W403-E448 WeakPolarHBondContact CZ3-OE2 3.38Å; W403-E448 PolarHBondContact N-OE1 3.26Å; K409-E448 WeakPolarHBondContact CE-OE1 3.29Å; K409-E448 WeakPolarHBondContact CE-OE2 3.47Å; K409-E448 WeakPolarHBondContact CG-OE1 3.04Å; K409-E448 IonicContact NZ-OE2 3.46Å; K409-E448 PolarHBondContact NZ-OE2 3.14Å; E448-G450 VanDerWaalsContact C-N 3.27Å; E448-G450 PolarHBondContact O-N 3.05Å
449	F	95.5	Very high	96	Very high	6 Å²	6	4.1 Å²	4.1	3%	0.026	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	23.5	-176.4	-67.7	-89.7	0	0	0	112.5	A150 L182 Q183 A207 Y208 W403 A446 G447 V452	A150-F449 HydrophobicContact CB-CD2 4.12Å; A150-F449 HydrophobicContact CB-CE2 3.96Å; L182-F449 HydrophobicContact CB-CD1 4.11Å; L182-F449 HydrophobicContact CB-CE1 3.99Å; L182-F449 HydrophobicContact CB-CZ 4.32Å; L182-F449 HydrophobicContact CD1-CD2 3.95Å; L182-F449 HydrophobicContact CD1-CE2 3.94Å; L182-F449 HydrophobicContact CD1-CG 4.29Å; L182-F449 HydrophobicContact CD1-CZ 4.25Å; L182-F449 HydrophobicContact CD2-CB 3.88Å; L182-F449 HydrophobicContact CD2-CD1 4.05Å; L182-F449 HydrophobicContact CD2-CD2 4.25Å; L182-F449 HydrophobicContact CD2-CG 3.8Å; L182-F449 HydrophobicContact CG-CD1 4.47Å; L182-F449 HydrophobicContact CG-CG 4.44Å; Q183-F449 WeakPolarHBondContact O-CE1 3.47Å; A207-F449 HydrophobicContact CB-CD1 3.78Å; A207-F449 HydrophobicContact CB-CE1 3.8Å; Y208-F449 HydrophobicContact CE2-CB 4.22Å; Y208-F449 HydrophobicContact CE2-CD1 4.4Å; Y208-F449 VanDerWaalsContact CE2-O 3.29Å; Y208-F449 WeakPolarHBondContact CE2-O 3.24Å; Y208-F449 WeakPolarHBondContact OH-CB 3.47Å; Y208-F449 PolarHBondContact OH-O 3.05Å; W403-F449 AromaticContact NE1-CE2 3.98Å; W403-F449 AromaticContact NE1-CZ 3.69Å; A446-F449 HydrophobicContact CB-CD2 4.47Å; A446-F449 PolarHBondContact O-N 3.1Å; G447-F449 PolarHBondContact O-N 3.38Å; G447-F449 VanDerWaalsContact O-N 3.14Å; F449-V452 HydrophobicContact CB-CG2 3.72Å; F449-V452 VanDerWaalsContact O-CG2 3.23Å; F449-V452 WeakPolarHBondContact O-CG2 3.47Å
450	G	93.9	Very high	95.5	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.021	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	42.5	180	0	0	0	0	0	113.7	S292 G293 G447 E448 V452	S292-G450 VanDerWaalsContact CA-O 3.23Å; S292-G450 WeakPolarHBondContact CA-O 3.41Å; S292-G450 WeakPolarHBondContact CB-O 3.34Å; S292-G450 PolarHBondContact OG-O 3.36Å; G293-G450 PolarHBondContact N-O 2.68Å; G447-G450 PolarHBondContact O-N 2.8Å; E448-G450 VanDerWaalsContact C-N 3.27Å; E448-G450 PolarHBondContact O-N 3.05Å; G450-V452 VanDerWaalsContact C-N 3.28Å; G450-V452 PolarHBondContact O-N 2.89Å
451	N	95.5	Very high	95	Very high	21 Å²	21	5.4 Å²	5.4	11%	0.112	3%	0.031	C	C	.	.	S	Bend	trans	55.9	38.2	-179.7	-51.1	-60.3	0	0	0	113.6	G447 G453 A454 T455 P535 P538	G447-N451 PolarHBondContact O-N 3.26Å; N451-G453 PolarHBondContact O-N 3.5Å; N451-A454 PolarHBondContact O-N 3.14Å; N451-T455 PolarHBondContact O-N 3.42Å; N451-T455 PolarHBondContact O-OG1 3.09Å; N451-P535 WeakPolarHBondContact OD1-CB 3.14Å; N451-P538 HydrophobicContact CB-CG 4.35Å
452	V	95.9	Very high	94.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-53.7	-59.9	-171.7	177.7	0	0	0	0	110.7	V180 L182 D294 I377 A446 F449 G450 A454 T455 E456	V180-V452 HydrophobicContact CB-CG1 4.07Å; V180-V452 HydrophobicContact CG1-CG1 3.6Å; V180-V452 HydrophobicContact CG2-CG1 4.33Å; L182-V452 HydrophobicContact CD2-CG2 4.35Å; D294-V452 HydrophobicContact CB-CG1 4.24Å; I377-V452 HydrophobicContact CD1-CG1 4.08Å; A446-V452 HydrophobicContact CB-CB 3.71Å; A446-V452 HydrophobicContact CB-CG1 4.3Å; A446-V452 HydrophobicContact CB-CG2 4.23Å; A446-V452 WeakPolarHBondContact O-CB 3.47Å; A446-V452 PolarHBondContact O-N 2.94Å; F449-V452 HydrophobicContact CB-CG2 3.72Å; F449-V452 VanDerWaalsContact O-CG2 3.23Å; F449-V452 WeakPolarHBondContact O-CG2 3.47Å; G450-V452 VanDerWaalsContact C-N 3.28Å; G450-V452 PolarHBondContact O-N 2.89Å; V452-A454 VanDerWaalsContact C-N 3.27Å; V452-A454 PolarHBondContact O-N 3.3Å; V452-A454 VanDerWaalsContact O-N 3.13Å; V452-T455 PolarHBondContact O-N 3.31Å; V452-E456 HydrophobicContact CG1-CG 4Å; V452-E456 VanDerWaalsContact O-CG 3.3Å; V452-E456 WeakPolarHBondContact O-CG 3.37Å; V452-E456 PolarHBondContact O-N 2.82Å
453	G	95.7	Very high	93.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-57.3	-36.6	-176	0	0	0	0	0	114.4	N379 S445 N451 W457	N379-G453 PolarHBondContact ND2-O 2.66Å; S445-G453 WeakPolarHBondContact O-CA 3.38Å; S445-G453 PolarHBondContact O-N 3.08Å; S445-G453 VanDerWaalsContact O-N 3.09Å; N451-G453 PolarHBondContact O-N 3.5Å; G453-W457 PolarHBondContact O-N 2.92Å
454	A	96.3	Very high	92.7	Very high	3 Å²	3	14.1 Å²	14.1	3%	0.025	9%	0.087	C	C	.	.	H	α-helix	trans	-71.6	-39.4	177.6	0	0	0	0	0	112.4	W444 N451 V452 W457 L458 F539	W444-A454 HydrophobicContact CD2-CB 3.71Å; W444-A454 VanDerWaalsContact CE3-CA 3.49Å; W444-A454 HydrophobicContact CE3-CB 3.92Å; W444-A454 HydrophobicContact CG-CB 4.05Å; W444-A454 HydrophobicContact CZ2-CB 4.32Å; W444-A454 HydrophobicContact CZ3-CB 4.3Å; N451-A454 PolarHBondContact O-N 3.14Å; V452-A454 VanDerWaalsContact C-N 3.27Å; V452-A454 PolarHBondContact O-N 3.3Å; V452-A454 VanDerWaalsContact O-N 3.13Å; A454-W457 PolarHBondContact O-N 3.43Å; A454-L458 WeakPolarHBondContact O-CG 3.2Å; A454-L458 PolarHBondContact O-N 2.88Å; A454-L458 VanDerWaalsContact O-N 3.09Å; A454-F539 HydrophobicContact CB-CE2 3.95Å; A454-F539 HydrophobicContact CB-CZ 4.21Å
455	T	95.1	Very high	92.2	Very high	4 Å²	4	13.9 Å²	13.9	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-73.5	-39	-178.6	-63	0	0	0	0	112	S292 N451 V452 W457 L458 E459	S292-T455 PolarHBondContact OG-OG1 2.81Å; N451-T455 PolarHBondContact O-N 3.42Å; N451-T455 PolarHBondContact O-OG1 3.09Å; V452-T455 PolarHBondContact O-N 3.31Å; T455-W457 PolarHBondContact O-N 2.83Å; T455-L458 WeakPolarHBondContact O-CB 3.03Å; T455-L458 PolarHBondContact O-N 3.03Å; T455-E459 HydrophobicContact CG2-CG 4.39Å; T455-E459 WeakPolarHBondContact O-CG 3.33Å; T455-E459 PolarHBondContact O-N 2.77Å
456	E	93.7	Very high	91.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.1	-41.2	172.7	-62.1	-49.5	123	0	0	111.6	H178 V180 D294 S302 V452 E459 G460	H178-E456 HydrophobicContact CB-CG 4.43Å; V180-E456 HydrophobicContact CG1-CG 4.28Å; D294-E456 VanDerWaalsContact CB-OE1 3.32Å; D294-E456 WeakPolarHBondContact CB-OE1 3.32Å; D294-E456 PolarHBondContact N-OE1 3.26Å; S302-E456 WeakPolarHBondContact CB-OE2 3.24Å; S302-E456 PolarHBondContact N-OE2 3.34Å; S302-E456 PolarHBondContact OG-OE2 2.96Å; V452-E456 HydrophobicContact CG1-CG 4Å; V452-E456 VanDerWaalsContact O-CG 3.3Å; V452-E456 WeakPolarHBondContact O-CG 3.37Å; V452-E456 PolarHBondContact O-N 2.82Å; E456-E459 PolarHBondContact O-N 3.19Å; E456-G460 PolarHBondContact O-N 3.31Å; E456-G460 VanDerWaalsContact O-N 3.14Å
457	W	94.2	Very high	91.4	Very high	8 Å²	8	23 Å²	23	3%	0.03	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-45.1	174.2	179.6	80	0	0	0	111.5	F381 V395 W444 G453 A454 T455 E459 G460 Y461 V465 V469 F539	F381-W457 AromaticContact CE1-NE1 3.99Å; F381-W457 AromaticContact CZ-CD1 3.54Å; F381-W457 HydrophobicContact CZ-CD2 4.32Å; F381-W457 AromaticContact CZ-CG 3.97Å; F381-W457 HydrophobicContact CZ-CG 3.97Å; F381-W457 AromaticContact CZ-NE1 3.64Å; V395-W457 HydrophobicContact CG2-CH2 4.4Å; W444-W457 HydrophobicContact CH2-CB 4.04Å; W444-W457 AromaticContact CH2-CD2 3.76Å; W444-W457 HydrophobicContact CH2-CD2 3.76Å; W444-W457 AromaticContact CH2-CE3 3.75Å; W444-W457 HydrophobicContact CH2-CE3 3.75Å; W444-W457 AromaticContact CH2-CG 3.89Å; W444-W457 HydrophobicContact CH2-CG 3.89Å; W444-W457 HydrophobicContact CH2-CZ3 4.48Å; W444-W457 HydrophobicContact CZ3-CB 3.73Å; W444-W457 HydrophobicContact CZ3-CD2 4.33Å; W444-W457 AromaticContact CZ3-CG 3.96Å; W444-W457 HydrophobicContact CZ3-CG 3.96Å; G453-W457 PolarHBondContact O-N 2.92Å; A454-W457 PolarHBondContact O-N 3.43Å; T455-W457 PolarHBondContact O-N 2.83Å; W457-E459 PolarHBondContact O-N 2.62Å; W457-G460 PolarHBondContact O-N 2.92Å; W457-Y461 AromaticContact CD1-CE2 3.7Å; W457-Y461 HydrophobicContact CD2-CD2 4.38Å; W457-Y461 AromaticContact CE2-CD2 3.98Å; W457-Y461 HydrophobicContact CG-CD2 4.42Å; W457-Y461 HydrophobicContact CG-CE2 4.49Å; W457-Y461 HydrophobicContact CZ2-CD2 4.48Å; W457-Y461 AromaticContact NE1-CD2 3.74Å; W457-Y461 AromaticContact NE1-CE2 3.43Å; W457-Y461 VanDerWaalsContact O-CD2 3.24Å; W457-Y461 WeakPolarHBondContact O-CD2 3.2Å; W457-Y461 PolarHBondContact O-N 3.05Å; W457-V465 HydrophobicContact CH2-CG2 4.18Å; W457-V465 HydrophobicContact CZ3-CG2 4.26Å; W457-V469 HydrophobicContact CH2-CG2 3.97Å; W457-F539 HydrophobicContact CE3-CE1 4.28Å; W457-F539 AromaticContact CZ3-CE1 3.84Å; W457-F539 HydrophobicContact CZ3-CE1 3.84Å
458	L	93.9	Very high	91.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-41.6	177.5	-69.5	173.4	0	0	0	112.3	A454 T455 G460 Y461 M462 V465 P538 F539 F542 A543 I545	A454-L458 WeakPolarHBondContact O-CG 3.2Å; A454-L458 PolarHBondContact O-N 2.88Å; A454-L458 VanDerWaalsContact O-N 3.09Å; T455-L458 WeakPolarHBondContact O-CB 3.03Å; T455-L458 PolarHBondContact O-N 3.03Å; L458-G460 VanDerWaalsContact C-N 3.26Å; L458-G460 PolarHBondContact O-N 3.45Å; L458-Y461 CarbonylContact O-C 3.52Å; L458-Y461 PolarHBondContact O-N 2.91Å; L458-M462 WeakPolarHBondContact O-CA 3.37Å; L458-M462 PolarHBondContact O-N 2.93Å; L458-V465 HydrophobicContact CD2-CG2 4.32Å; L458-P538 HydrophobicContact CD1-CB 3.99Å; L458-F539 HydrophobicContact CD1-CD1 4.16Å; L458-F539 HydrophobicContact CD1-CD2 4.05Å; L458-F539 HydrophobicContact CD1-CE1 4.29Å; L458-F539 HydrophobicContact CD1-CE2 4.17Å; L458-F539 HydrophobicContact CD1-CG 4.03Å; L458-F539 HydrophobicContact CD1-CZ 4.27Å; L458-F539 HydrophobicContact CD2-CD1 3.8Å; L458-F539 HydrophobicContact CD2-CE1 3.77Å; L458-F539 HydrophobicContact CD2-CG 4.46Å; L458-F539 HydrophobicContact CD2-CZ 4.39Å; L458-F539 HydrophobicContact CG-CD1 4.44Å; L458-F539 HydrophobicContact CG-CE1 4.25Å; L458-F539 HydrophobicContact CG-CZ 4.39Å; L458-F542 HydrophobicContact CB-CD1 4.1Å; L458-F542 HydrophobicContact CB-CE1 3.74Å; L458-F542 HydrophobicContact CD1-CD1 4.21Å; L458-A543 HydrophobicContact CD1-CB 4.23Å; L458-A543 HydrophobicContact CD2-CB 3.85Å; L458-A543 HydrophobicContact CG-CB 4.46Å; L458-I545 HydrophobicContact CD2-CD1 3.98Å
459	E	91.1	Very high	91.4	Very high	12 Å²	12	23.5 Å²	23.5	6%	0.056	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-36.7	177.2	-73	179.9	159.9	0	0	111.7	G299 F300 P301 T455 E456 W457 Y461 M462 F542	G299-E459 WeakPolarHBondContact CA-OE1 3.47Å; G299-E459 PolarHBondContact N-OE1 2.8Å; F300-E459 PolarHBondContact N-OE2 3.4Å; F300-E459 VanDerWaalsContact O-OE2 3.06Å; P301-E459 HydrophobicContact CG-CB 4.26Å; T455-E459 HydrophobicContact CG2-CG 4.39Å; T455-E459 WeakPolarHBondContact O-CG 3.33Å; T455-E459 PolarHBondContact O-N 2.77Å; E456-E459 PolarHBondContact O-N 3.19Å; W457-E459 PolarHBondContact O-N 2.62Å; E459-Y461 PolarHBondContact O-N 2.95Å; E459-M462 PolarHBondContact O-N 2.82Å; E459-F542 HydrophobicContact CG-CE1 3.99Å; E459-F542 HydrophobicContact CG-CZ 3.67Å
460	G	88.7	Confident	91.5	Very high	14 Å²	14	23.2 Å²	23.2	14%	0.144	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-30.3	178	0	0	0	0	0	113.7	R19 P301 E456 W457 L458	R19-G460 PolarHBondContact NH1-O 2.8Å; P301-G460 VanDerWaalsContact CG-N 3.34Å; E456-G460 PolarHBondContact O-N 3.31Å; E456-G460 VanDerWaalsContact O-N 3.14Å; W457-G460 PolarHBondContact O-N 2.92Å; L458-G460 VanDerWaalsContact C-N 3.26Å; L458-G460 PolarHBondContact O-N 3.45Å
461	Y	87.1	Confident	91.7	Very high	23 Å²	23	23.1 Å²	23.1	9%	0.09	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	13.2	-176.1	-61.2	-75.8	0	0	0	114	M11 W457 L458 E459 S463 S464 V465	M11-Y461 HydrophobicContact CE-CD1 4.13Å; M11-Y461 HydrophobicContact CE-CE1 3.86Å; M11-Y461 HydrophobicContact CG-CE1 4.38Å; W457-Y461 AromaticContact CD1-CE2 3.7Å; W457-Y461 HydrophobicContact CD2-CD2 4.38Å; W457-Y461 AromaticContact CE2-CD2 3.98Å; W457-Y461 HydrophobicContact CG-CD2 4.42Å; W457-Y461 HydrophobicContact CG-CE2 4.49Å; W457-Y461 HydrophobicContact CZ2-CD2 4.48Å; W457-Y461 AromaticContact NE1-CD2 3.74Å; W457-Y461 AromaticContact NE1-CE2 3.43Å; W457-Y461 VanDerWaalsContact O-CD2 3.24Å; W457-Y461 WeakPolarHBondContact O-CD2 3.2Å; W457-Y461 PolarHBondContact O-N 3.05Å; L458-Y461 CarbonylContact O-C 3.52Å; L458-Y461 PolarHBondContact O-N 2.91Å; E459-Y461 PolarHBondContact O-N 2.95Å; Y461-S463 PolarHBondContact O-N 3.49Å; Y461-S464 PolarHBondContact O-N 2.76Å; Y461-S464 PolarHBondContact O-OG 3.27Å; Y461-V465 WeakPolarHBondContact O-CB 3.17Å; Y461-V465 PolarHBondContact O-N 3.2Å
462	M	81.7	Confident	91.8	Very high	60 Å²	60	22.2 Å²	22.2	30%	0.296	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-33.4	-169.8	-173.3	171	67	0	0	114.6	L458 E459 F542 V694	L458-M462 WeakPolarHBondContact O-CA 3.37Å; L458-M462 PolarHBondContact O-N 2.93Å; E459-M462 PolarHBondContact O-N 2.82Å; M462-F542 HydrophobicContact CG-CZ 4.32Å; M462-F542 HydrophobicContact SD-CE2 3.78Å; M462-F542 HydrophobicContact SD-CZ 3.61Å; M462-V694 HydrophobicContact CE-CG2 4.33Å; M462-V694 HydrophobicContact SD-CG2 3.79Å
463	S	79.6	Confident	92	Very high	87 Å²	87	22.2 Å²	22.2	61%	0.608	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8	-179.3	61.9	0	0	0	0	115.4	Y461	Y461-S463 PolarHBondContact O-N 3.49Å
464	S	86.8	Confident	92.1	Very high	36 Å²	36	22.3 Å²	22.3	25%	0.252	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-12.5	-169.8	54.3	0	0	0	0	115.2	Y461 D466 R467 S468	Y461-S464 PolarHBondContact O-N 2.76Å; Y461-S464 PolarHBondContact O-OG 3.27Å; S464-D466 VanDerWaalsContact C-N 3.28Å; S464-D466 PolarHBondContact O-N 2.7Å; S464-R467 PolarHBondContact O-N 3.41Å; S464-S468 PolarHBondContact O-OG 3.3Å
465	V	88.6	Confident	92.2	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.8	-35.8	-172.9	70.1	0	0	0	0	111.7	W457 L458 Y461 R467 S468 V469 A543 I545	W457-V465 HydrophobicContact CH2-CG2 4.18Å; W457-V465 HydrophobicContact CZ3-CG2 4.26Å; L458-V465 HydrophobicContact CD2-CG2 4.32Å; Y461-V465 WeakPolarHBondContact O-CB 3.17Å; Y461-V465 PolarHBondContact O-N 3.2Å; V465-R467 VanDerWaalsContact C-N 3.25Å; V465-R467 PolarHBondContact O-N 2.79Å; V465-S468 PolarHBondContact O-N 3.38Å; V465-S468 VanDerWaalsContact O-N 3.16Å; V465-V469 HydrophobicContact CG2-CB 4.16Å; V465-V469 HydrophobicContact CG2-CG2 3.48Å; V465-V469 VanDerWaalsContact CG2-CG2 3.48Å; V465-V469 WeakPolarHBondContact O-CB 3.38Å; V465-V469 PolarHBondContact O-N 3.46Å; V465-A543 HydrophobicContact CG1-CB 4.13Å; V465-I545 HydrophobicContact CB-CD1 4.48Å; V465-I545 HydrophobicContact CG1-CD1 4.07Å; V465-I545 HydrophobicContact CG2-CD1 3.68Å
466	D	85.8	Confident	92.2	Very high	24 Å²	24	22.2 Å²	22.2	13%	0.128	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-62.5	-29.1	177.5	67.1	-58.9	0	0	0	113.3	S464 S468 M681 H685	S464-D466 VanDerWaalsContact C-N 3.28Å; S464-D466 PolarHBondContact O-N 2.7Å; D466-S468 VanDerWaalsContact C-N 3.28Å; D466-S468 PolarHBondContact O-N 3.02Å; D466-M681 WeakPolarHBondContact O-CE 3.47Å; D466-H685 HydrophobicContact CB-CB 3.85Å; D466-H685 IonicContact OD2-CD2 3.52Å; D466-H685 IonicContact OD2-CG 3.84Å
467	R	90.6	Very high	92.2	Very high	167 Å²	167	22.2 Å²	22.2	63%	0.63	12%	0.117	S	C	*	.	G	3₁₀ helix	trans	-78.6	-16	-179.9	-57.9	-178.2	-175.8	180	0.4	113	R392 S464 V465 M681	R392-R467 PolarHBondContact NE-O 3.47Å; R392-R467 PolarHBondContact NH1-O 2.8Å; R392-R467 VanDerWaalsContact NH1-O 3.09Å; S464-R467 PolarHBondContact O-N 3.41Å; V465-R467 VanDerWaalsContact C-N 3.25Å; V465-R467 PolarHBondContact O-N 2.79Å; R467-M681 WeakPolarHBondContact O-CE 3.47Å
468	S	93.3	Very high	92.3	Very high	22 Å²	22	21.9 Å²	21.9	15%	0.154	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-44.8	-169.1	-43.7	0	0	0	0	111.8	R392 Y393 S464 V465 D466	R392-S468 CarbonylContact C-O 3.49Å; R392-S468 WeakPolarHBondContact CA-O 3.49Å; Y393-S468 VanDerWaalsContact CZ-CB 3.44Å; Y393-S468 PolarHBondContact N-O 2.6Å; Y393-S468 WeakPolarHBondContact OH-CB 3.39Å; S464-S468 PolarHBondContact O-OG 3.3Å; V465-S468 PolarHBondContact O-N 3.38Å; V465-S468 VanDerWaalsContact O-N 3.16Å; D466-S468 VanDerWaalsContact C-N 3.28Å; D466-S468 PolarHBondContact O-N 3.02Å
469	V	96.8	Very high	92.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.4	174	-172.7	0	0	0	0	109.6	Y393 V395 W457 V465 I545	Y393-V469 HydrophobicContact CD2-CB 4.35Å; Y393-V469 HydrophobicContact CD2-CG2 3.62Å; Y393-V469 HydrophobicContact CE2-CB 4.23Å; Y393-V469 HydrophobicContact CE2-CG2 3.13Å; Y393-V469 WeakPolarHBondContact O-CA 3.42Å; V395-V469 HydrophobicContact CG2-CG1 3.93Å; V395-V469 HydrophobicContact CG2-CG2 4.14Å; W457-V469 HydrophobicContact CH2-CG2 3.97Å; V465-V469 HydrophobicContact CG2-CB 4.16Å; V465-V469 HydrophobicContact CG2-CG2 3.48Å; V465-V469 VanDerWaalsContact CG2-CG2 3.48Å; V465-V469 WeakPolarHBondContact O-CB 3.38Å; V465-V469 PolarHBondContact O-N 3.46Å; V469-I545 HydrophobicContact CB-CD1 3.97Å; V469-I545 HydrophobicContact CB-CG1 4.34Å; V469-I545 HydrophobicContact CB-CG2 4.29Å; V469-I545 HydrophobicContact CG1-CD1 4.03Å; V469-I545 HydrophobicContact CG1-CG1 4.41Å; V469-I545 HydrophobicContact CG1-CG2 3.55Å; V469-I545 HydrophobicContact CG2-CD1 4.38Å
470	F	96.9	Very high	92.6	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-18.2	176.5	61.9	-101.8	0	0	0	113.4	R392 Y393 V394 R437 P546 L599 L605 M681	R392-F470 HydrophobicContact CB-CD1 4.22Å; R392-F470 HydrophobicContact CB-CE1 4.4Å; Y393-F470 VanDerWaalsContact C-CD1 3.49Å; Y393-F470 VanDerWaalsContact O-CD1 3.28Å; Y393-F470 WeakPolarHBondContact O-CD1 3.38Å; Y393-F470 WeakPolarHBondContact O-CE1 3.2Å; Y393-F470 PolarHBondContact O-N 3.08Å; Y393-F470 VanDerWaalsContact O-N 3.07Å; V394-F470 HydrophobicContact CB-CE1 4.38Å; V394-F470 HydrophobicContact CB-CE2 3.63Å; V394-F470 HydrophobicContact CB-CZ 3.51Å; V394-F470 HydrophobicContact CG1-CZ 4.03Å; V394-F470 HydrophobicContact CG2-CE2 4.39Å; R437-F470 HydrophobicContact CB-CE1 3.93Å; R437-F470 HydrophobicContact CB-CZ 4.34Å; R437-F470 VanDerWaalsContact CD-CE1 3.42Å; R437-F470 HydrophobicContact CG-CE1 4.24Å; F470-P546 WeakPolarHBondContact O-CD 3.23Å; F470-P546 WeakPolarHBondContact O-CG 3.49Å; F470-L599 HydrophobicContact CD2-CD2 4.46Å; F470-L599 HydrophobicContact CE2-CB 3.73Å; F470-L599 HydrophobicContact CE2-CD1 4.13Å; F470-L599 HydrophobicContact CE2-CD2 4.1Å; F470-L599 HydrophobicContact CE2-CG 4.19Å; F470-L599 HydrophobicContact CZ-CB 4.18Å; F470-L605 HydrophobicContact CB-CD1 4.03Å; F470-L605 HydrophobicContact CB-CD2 4.46Å; F470-L605 HydrophobicContact CD1-CD2 4.16Å; F470-L605 HydrophobicContact CD2-CD2 3.65Å; F470-L605 HydrophobicContact CE1-CD2 4.3Å; F470-L605 HydrophobicContact CE2-CD2 3.87Å; F470-L605 HydrophobicContact CG-CD1 4.26Å; F470-L605 HydrophobicContact CG-CD2 3.82Å; F470-L605 HydrophobicContact CZ-CD2 4.16Å; F470-M681 HydrophobicContact CB-CE 3.83Å; F470-M681 HydrophobicContact CB-CG 3.77Å; F470-M681 HydrophobicContact CB-SD 3.81Å
471	T	98.4	Very high	92.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	142.1	177.3	-62.9	0	0	0	0	111.8	V394 V395 I473 L493 P546 L599	V394-T471 WeakPolarHBondContact CA-O 2.91Å; V394-T471 HydrophobicContact CG2-CG2 4.45Å; V395-T471 PolarHBondContact N-O 3.31Å; T471-I473 HydrophobicContact CG2-CG1 4Å; T471-L493 HydrophobicContact CG2-CD1 4.22Å; T471-L493 HydrophobicContact CG2-CD2 3.97Å; T471-P546 CarbonylContact C-O 3.54Å; T471-P546 WeakPolarHBondContact CA-O 3.35Å; T471-L599 HydrophobicContact CG2-CD1 3.96Å
472	Y	98.6	Very high	93.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.1	167.6	178.5	-110	0	0	0	111.5	V395 W444 N474 A536 F539 P546 S547 M548	V395-Y472 HydrophobicContact CB-CD2 3.92Å; V395-Y472 HydrophobicContact CG1-CD2 3.78Å; V395-Y472 HydrophobicContact CG1-CE2 3.99Å; V395-Y472 CarbonylContact O-C 3.56Å; V395-Y472 WeakPolarHBondContact O-CA 3.5Å; W444-Y472 HydrophobicContact CZ2-CE2 4.46Å; W444-Y472 AromaticContact NE1-CE2 3.92Å; W444-Y472 AromaticContact NE1-CZ 3.92Å; W444-Y472 PolarHBondContact NE1-OH 3.45Å; Y472-N474 HydrophobicContact CE1-CB 3.79Å; Y472-N474 PolarHBondContact OH-ND2 3.33Å; Y472-A536 HydrophobicContact CD1-CB 3.84Å; Y472-A536 HydrophobicContact CE1-CB 3.92Å; Y472-F539 HydrophobicContact CD1-CB 3.98Å; Y472-F539 AromaticContact CD1-CD1 3.98Å; Y472-F539 HydrophobicContact CD1-CD1 3.98Å; Y472-F539 AromaticContact CD1-CD2 3.41Å; Y472-F539 HydrophobicContact CD1-CD2 3.41Å; Y472-F539 VanDerWaalsContact CD1-CD2 3.41Å; Y472-F539 HydrophobicContact CD1-CE1 4.34Å; Y472-F539 AromaticContact CD1-CE2 3.85Å; Y472-F539 HydrophobicContact CD1-CE2 3.85Å; Y472-F539 AromaticContact CD1-CG 3.5Å; Y472-F539 HydrophobicContact CD1-CG 3.5Å; Y472-F539 HydrophobicContact CD1-CZ 4.3Å; Y472-F539 AromaticContact CD2-CD1 3.73Å; Y472-F539 HydrophobicContact CD2-CD1 3.73Å; Y472-F539 HydrophobicContact CD2-CD2 4.25Å; Y472-F539 AromaticContact CD2-CE1 3.48Å; Y472-F539 HydrophobicContact CD2-CE1 3.48Å; Y472-F539 VanDerWaalsContact CD2-CE1 3.48Å; Y472-F539 HydrophobicContact CD2-CE2 4.04Å; Y472-F539 HydrophobicContact CD2-CG 4.12Å; Y472-F539 AromaticContact CD2-CZ 3.67Å; Y472-F539 HydrophobicContact CD2-CZ 3.67Å; Y472-F539 AromaticContact CE1-CD2 3.43Å; Y472-F539 HydrophobicContact CE1-CD2 3.43Å; Y472-F539 VanDerWaalsContact CE1-CD2 3.43Å; Y472-F539 AromaticContact CE1-CE2 3.49Å; Y472-F539 HydrophobicContact CE1-CE2 3.49Å; Y472-F539 VanDerWaalsContact CE1-CE2 3.49Å; Y472-F539 HydrophobicContact CE1-CG 4.03Å; Y472-F539 HydrophobicContact CE1-CZ 4.11Å; Y472-F539 HydrophobicContact CE2-CD1 4.36Å; Y472-F539 HydrophobicContact CE2-CD2 4.28Å; Y472-F539 AromaticContact CE2-CE1 3.8Å; Y472-F539 HydrophobicContact CE2-CE1 3.8Å; Y472-F539 AromaticContact CE2-CE2 3.72Å; Y472-F539 HydrophobicContact CE2-CE2 3.72Å; Y472-F539 AromaticContact CE2-CZ 3.47Å; Y472-F539 HydrophobicContact CE2-CZ 3.47Å; Y472-F539 VanDerWaalsContact CE2-CZ 3.47Å; Y472-F539 HydrophobicContact CG-CB 4.14Å; Y472-F539 AromaticContact CG-CD1 3.49Å; Y472-F539 HydrophobicContact CG-CD1 3.49Å; Y472-F539 VanDerWaalsContact CG-CD1 3.49Å; Y472-F539 AromaticContact CG-CD2 3.83Å; Y472-F539 HydrophobicContact CG-CD2 3.83Å; Y472-F539 AromaticContact CG-CE1 3.77Å; Y472-F539 HydrophobicContact CG-CE1 3.77Å; Y472-F539 HydrophobicContact CG-CE2 4.1Å; Y472-F539 AromaticContact CG-CG 3.53Å; Y472-F539 HydrophobicContact CG-CG 3.53Å; Y472-F539 HydrophobicContact CG-CZ 4.08Å; Y472-F539 AromaticContact CZ-CD2 3.88Å; Y472-F539 AromaticContact CZ-CE2 3.41Å; Y472-F539 VanDerWaalsContact CZ-CE2 3.41Å; Y472-F539 AromaticContact CZ-CZ 3.68Å; Y472-P546 PolarHBondContact N-O 2.91Å; Y472-S547 CarbonylContact O-C 3.6Å; Y472-S547 WeakPolarHBondContact O-CA 3.45Å; Y472-M548 PolarHBondContact O-N 2.85Å
473	I	98.7	Very high	93.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.9	175	-57.8	179.4	0	0	0	108.3	V394 V395 L396 G397 T471 L475 M548 F550 A592 M595 V596	V394-I473 HydrophobicContact CG2-CD1 4.45Å; V395-I473 PolarHBondContact O-N 3.4Å; L396-I473 WeakPolarHBondContact CA-O 3.43Å; G397-I473 PolarHBondContact N-O 3.22Å; T471-I473 HydrophobicContact CG2-CG1 4Å; I473-L475 HydrophobicContact CG2-CD2 4.41Å; I473-M548 HydrophobicContact CB-CG 4.38Å; I473-M548 HydrophobicContact CG1-CG 4.15Å; I473-M548 HydrophobicContact CG1-SD 4.24Å; I473-M548 HydrophobicContact CG2-CG 4.17Å; I473-M548 HydrophobicContact CG2-SD 4.32Å; I473-F550 HydrophobicContact CG2-CE1 4.23Å; I473-A592 HydrophobicContact CG2-CB 4.41Å; I473-M595 HydrophobicContact CD1-CB 3.97Å; I473-V596 HydrophobicContact CD1-CG2 3.79Å
474	N	98.4	Very high	94.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.2	175.6	-176.6	-94.6	0	0	0	111.4	Y472 D476 P535 A536 M548	Y472-N474 HydrophobicContact CE1-CB 3.79Å; Y472-N474 PolarHBondContact OH-ND2 3.33Å; N474-D476 VanDerWaalsContact ND2-CG 3.3Å; N474-D476 PolarHBondContact ND2-OD2 2.86Å; N474-D476 WeakPolarHBondContact OD1-CA 3.44Å; N474-D476 WeakPolarHBondContact OD1-CB 3.29Å; N474-D476 PolarHBondContact OD1-N 2.94Å; N474-D476 PolarHBondContact OD1-OD2 3.26Å; N474-P535 WeakPolarHBondContact ND2-CB 3.26Å; N474-A536 HydrophobicContact CB-CB 4.05Å; N474-M548 WeakPolarHBondContact CB-O 3.25Å; N474-M548 PolarHBondContact N-O 3.45Å
475	L	98.4	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.076	C	C	.	.			trans	-110.5	4.9	-178.4	-57.2	175.6	0	0	0	112.9	L396 G397 A398 G413 V416 L417 I473 A478 F550 A592	L396-L475 HydrophobicContact CB-CD1 4.28Å; L396-L475 HydrophobicContact CD2-CD1 4.27Å; L396-L475 HydrophobicContact CD2-CD2 4.28Å; G397-L475 WeakPolarHBondContact O-CB 3.32Å; G397-L475 PolarHBondContact O-N 2.96Å; A398-L475 HydrophobicContact CB-CB 4.19Å; G413-L475 WeakPolarHBondContact CA-O 3.11Å; V416-L475 HydrophobicContact CB-CD1 4.4Å; V416-L475 HydrophobicContact CG1-CD1 3.99Å; V416-L475 HydrophobicContact CG1-CD2 3.9Å; V416-L475 HydrophobicContact CG1-CG 4.42Å; L417-L475 HydrophobicContact CB-CD1 3.92Å; L417-L475 HydrophobicContact CD1-CD1 3.83Å; I473-L475 HydrophobicContact CG2-CD2 4.41Å; L475-A478 WeakPolarHBondContact O-CB 3.15Å; L475-F550 HydrophobicContact CD2-CE1 4.14Å; L475-F550 HydrophobicContact CD2-CZ 4.32Å; L475-A592 HydrophobicContact CD2-CB 3.8Å
476	D	95.1	Very high	95	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.032	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	135.1	-176.2	-53.8	-24.4	0	0	0	109.8	A398 Q399 N474 A478 P535 H551	A398-D476 VanDerWaalsContact CA-OD1 3.31Å; A398-D476 WeakPolarHBondContact CA-OD1 3.49Å; Q399-D476 WeakPolarHBondContact CB-OD1 3.45Å; Q399-D476 PolarHBondContact N-OD1 3.14Å; N474-D476 VanDerWaalsContact ND2-CG 3.3Å; N474-D476 PolarHBondContact ND2-OD2 2.86Å; N474-D476 WeakPolarHBondContact OD1-CA 3.44Å; N474-D476 WeakPolarHBondContact OD1-CB 3.29Å; N474-D476 PolarHBondContact OD1-N 2.94Å; N474-D476 PolarHBondContact OD1-OD2 3.26Å; D476-A478 PolarHBondContact O-N 2.97Å; D476-P535 HydrophobicContact CB-CG 4.18Å; D476-P535 WeakPolarHBondContact OD2-CB 3.49Å; D476-H551 PolarHBondContact O-CE1 2.89Å
477	G	93.5	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	22.2	-179	0	0	0	0	0	114.7	V479 H551 Y563	G477-V479 PolarHBondContact O-N 2.91Å; G477-H551 PolarHBondContact O-ND1 2.91Å; G477-Y563 WeakPolarHBondContact CA-OH 3.42Å; G477-Y563 PolarHBondContact N-OH 3.24Å
478	A	96.1	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.			trans	-56.1	-28.5	-177.7	0	0	0	0	0	112.5	L475 D476 F550 F552 A588	L475-A478 WeakPolarHBondContact O-CB 3.15Å; D476-A478 PolarHBondContact O-N 2.97Å; A478-F550 WeakPolarHBondContact CA-O 3.24Å; A478-F550 HydrophobicContact CB-CE2 4.04Å; A478-F550 HydrophobicContact CB-CZ 4.14Å; A478-F552 WeakPolarHBondContact O-CD2 3.39Å; A478-F552 PolarHBondContact O-N 3.44Å; A478-A588 HydrophobicContact CB-CB 4.19Å
479	V	96.7	Very high	96.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-124.9	101.6	177.7	-174.1	0	0	0	0	110.7	T408 V412 G477 L573 T577 V584 A588	T408-V479 WeakPolarHBondContact CG2-O 3.39Å; V412-V479 HydrophobicContact CG1-CB 3.96Å; V412-V479 HydrophobicContact CG1-CG2 3.87Å; G477-V479 PolarHBondContact O-N 2.91Å; V479-L573 HydrophobicContact CG1-CD1 4.38Å; V479-L573 WeakPolarHBondContact O-CD1 3.4Å; V479-T577 HydrophobicContact CG1-CG2 3.88Å; V479-V584 HydrophobicContact CB-CG1 4.38Å; V479-V584 HydrophobicContact CG1-CB 3.94Å; V479-V584 HydrophobicContact CG1-CG1 3.54Å; V479-V584 HydrophobicContact CG2-CG1 4Å; V479-A588 HydrophobicContact CG2-CB 3.99Å
480	M	94.4	Very high	96.1	Very high	19 Å²	19	8.4 Å²	8.4	9%	0.094	4%	0.038	C	C	.	.	S	Bend	trans	-112.9	-6	174	-79.2	-169.3	-70.4	0	0	112.7	T408 H551 F552 I553 Y560 Y563	T408-M480 HydrophobicContact CG2-CG 3.87Å; M480-H551 HydrophobicContact CE-CB 3.4Å; M480-H551 VanDerWaalsContact CE-CB 3.4Å; M480-H551 WeakPolarHBondContact CE-ND1 3.42Å; M480-F552 CarbonylContact C-O 3.47Å; M480-F552 VanDerWaalsContact C-O 3.32Å; M480-F552 VanDerWaalsContact CA-O 3.29Å; M480-F552 WeakPolarHBondContact CA-O 3.35Å; M480-F552 WeakPolarHBondContact CB-O 2.87Å; M480-F552 PolarHBondContact N-O 3.04Å; M480-I553 HydrophobicContact CB-CG2 4.23Å; M480-I553 HydrophobicContact CE-CG2 3.88Å; M480-Y560 HydrophobicContact CB-CD2 4.33Å; M480-Y560 HydrophobicContact CB-CG 4.37Å; M480-Y560 HydrophobicContact CG-CG 4.17Å; M480-Y560 WeakPolarHBondContact O-CD2 3.47Å; M480-Y560 WeakPolarHBondContact SD-CB 3.28Å; M480-Y563 HydrophobicContact CG-CE2 3.88Å; M480-Y563 HydrophobicContact SD-CD2 4.03Å; M480-Y563 HydrophobicContact SD-CE2 3.44Å; M480-Y563 WeakPolarHBondContact SD-CE2 3.27Å
481	G	93.7	Very high	96.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.039	C	C	.	.			trans	177.7	-159.3	-172.7	0	0	0	0	0	109.5	F552	G481-F552 PolarHBondContact N-O 3.26Å; G481-F552 WeakPolarHBondContact O-CB 3.48Å
482	Q	92.1	Very high	96.1	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.039	C	C	.	.	S	Bend	trans	-148.1	0.5	-173.3	68	-178.9	-46.6	0	0	115.2	M506 R508 I553 R576 T577 S578 V584	Q482-M506 WeakPolarHBondContact O-CE 3.49Å; Q482-R508 VanDerWaalsContact OE1-NE 3.11Å; Q482-I553 PolarHBondContact N-O 2.85Å; Q482-R576 PolarHBondContact NE2-O 2.99Å; Q482-T577 PolarHBondContact NE2-O 2.91Å; Q482-T577 PolarHBondContact OE1-O 2.76Å; Q482-S578 PolarHBondContact NE2-OG 3.03Å; Q482-V584 HydrophobicContact CB-CG2 3.81Å
483	E	91.8	Very high	96	Very high	51 Å²	51	8.4 Å²	8.4	24%	0.238	4%	0.038	C	C	.	.	S	Bend	trans	-105	-36.1	-166.2	-67.2	-177.4	173.8	0	0	113.7	M506 R508 I553 Q554 S555	E483-M506 WeakPolarHBondContact O-CE 3.22Å; E483-R508 IonicContact OE1-NH1 3.68Å; E483-I553 PolarHBondContact N-O 2.91Å; E483-Q554 PolarHBondContact OE1-NE2 2.85Å; E483-Q554 PolarHBondContact OE2-NE2 3.16Å; E483-S555 WeakPolarHBondContact CB-OG 3.14Å; E483-S555 WeakPolarHBondContact OE2-CB 3.31Å; E483-S555 PolarHBondContact OE2-N 2.89Å; E483-S555 VanDerWaalsContact OE2-N 3.08Å; E483-S555 PolarHBondContact OE2-OG 3.18Å
484	R	93.7	Very high	96	Very high	71 Å²	71	10.1 Å²	10.1	27%	0.268	5%	0.045	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	160.4	176.6	-69.7	-170.8	65.9	166.6	-0.5	111.1	M517 S525 F552 I553	R484-M517 HydrophobicContact CB-CE 4.27Å; R484-M517 HydrophobicContact CB-SD 4.24Å; R484-M517 HydrophobicContact CG-CE 4.28Å; R484-M517 HydrophobicContact CG-SD 4.47Å; R484-S525 PolarHBondContact NH2-O 3.4Å; R484-F552 CarbonylContact O-C 3.54Å; R484-F552 WeakPolarHBondContact O-CA 3.23Å; R484-I553 HydrophobicContact CB-CD1 4.22Å; R484-I553 HydrophobicContact CB-CG1 3.71Å; R484-I553 PolarHBondContact N-O 2.82Å; R484-I553 PolarHBondContact O-N 3.05Å
485	F	95.9	Very high	95.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129	175.8	-180	-92.1	0	0	0	108.5	A487 M501 I513 M517 V526 F550 H551 F552 F591	F485-A487 HydrophobicContact CE1-CB 4.22Å; F485-M501 HydrophobicContact CD1-CG 4.45Å; F485-M501 HydrophobicContact CD1-SD 3.74Å; F485-M501 HydrophobicContact CE1-CG 4.17Å; F485-M501 HydrophobicContact CE1-SD 3.79Å; F485-I513 HydrophobicContact CB-CG2 3.64Å; F485-I513 HydrophobicContact CD1-CG2 3.85Å; F485-I513 HydrophobicContact CD2-CD1 4.39Å; F485-I513 HydrophobicContact CD2-CG2 4.28Å; F485-I513 HydrophobicContact CG-CG2 3.66Å; F485-M517 HydrophobicContact CB-CG 4.22Å; F485-M517 HydrophobicContact CB-SD 4.26Å; F485-M517 PolarHBondContact N-SD 3.09Å; F485-M517 VanDerWaalsContact N-SD 3.44Å; F485-V526 HydrophobicContact CD1-CG1 3.63Å; F485-V526 HydrophobicContact CD1-CG2 4.34Å; F485-V526 HydrophobicContact CE1-CG1 3.79Å; F485-F550 HydrophobicContact CE2-CB 4.06Å; F485-F550 AromaticContact CE2-CD2 3.73Å; F485-F550 HydrophobicContact CE2-CD2 3.73Å; F485-F550 HydrophobicContact CE2-CG 4.27Å; F485-F550 HydrophobicContact CZ-CB 3.78Å; F485-F550 HydrophobicContact CZ-CD2 4.22Å; F485-F550 HydrophobicContact CZ-CG 4.31Å; F485-H551 WeakPolarHBondContact CA-O 3.43Å; F485-F552 HydrophobicContact CD2-CD1 4.28Å; F485-F552 HydrophobicContact CD2-CD2 4.4Å; F485-F552 AromaticContact CD2-CE1 3.9Å; F485-F552 HydrophobicContact CD2-CE1 3.9Å; F485-F552 HydrophobicContact CD2-CE2 4.01Å; F485-F552 AromaticContact CD2-CZ 3.76Å; F485-F552 HydrophobicContact CD2-CZ 3.76Å; F485-F552 HydrophobicContact CE2-CE2 4.15Å; F485-F552 HydrophobicContact CE2-CZ 4.14Å; F485-F591 HydrophobicContact CE1-CE2 4.43Å; F485-F591 HydrophobicContact CE1-CZ 4.16Å; F485-F591 HydrophobicContact CE2-CD1 4.2Å; F485-F591 HydrophobicContact CE2-CD2 4.43Å; F485-F591 HydrophobicContact CE2-CE1 4.17Å; F485-F591 HydrophobicContact CE2-CE2 4.39Å; F485-F591 HydrophobicContact CE2-CG 4.35Å; F485-F591 HydrophobicContact CE2-CZ 4.27Å; F485-F591 HydrophobicContact CZ-CD1 4.1Å; F485-F591 HydrophobicContact CZ-CD2 4.3Å; F485-F591 AromaticContact CZ-CE1 3.6Å; F485-F591 HydrophobicContact CZ-CE1 3.6Å; F485-F591 AromaticContact CZ-CE2 3.83Å; F485-F591 HydrophobicContact CZ-CE2 3.83Å; F485-F591 HydrophobicContact CZ-CG 4.44Å; F485-F591 AromaticContact CZ-CZ 3.46Å; F485-F591 HydrophobicContact CZ-CZ 3.46Å; F485-F591 VanDerWaalsContact CZ-CZ 3.46Å
486	I	96.4	Very high	95.9	Very high	13 Å²	13	11.8 Å²	11.8	7%	0.067	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.2	174.7	60.4	165.6	0	0	0	109.6	V526 F550 H551 I553	I486-V526 CarbonylContact C-O 3.47Å; I486-V526 VanDerWaalsContact CA-O 3.29Å; I486-V526 WeakPolarHBondContact CA-O 3.36Å; I486-F550 CarbonylContact O-C 3.51Å; I486-F550 WeakPolarHBondContact O-CA 3.48Å; I486-H551 HydrophobicContact CD1-CB 4.32Å; I486-H551 HydrophobicContact CG1-CB 3.84Å; I486-H551 PolarHBondContact N-O 3.39Å; I486-H551 PolarHBondContact O-N 3.46Å; I486-I553 HydrophobicContact CD1-CD1 4.06Å; I486-I553 HydrophobicContact CD1-CG2 3.97Å; I486-I553 HydrophobicContact CG1-CD1 4.17Å; I486-I553 HydrophobicContact CG1-CG1 4.49Å; I486-I553 HydrophobicContact CG1-CG2 4Å; I486-I553 HydrophobicContact CG2-CD1 3.69Å; I486-I553 HydrophobicContact CG2-CG1 4.39Å
487	A	97.2	Very high	96.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	140.2	176	0	0	0	0	0	111.7	F485 V526 L527 R528 C549 F550	F485-A487 HydrophobicContact CE1-CB 4.22Å; A487-V526 HydrophobicContact CB-CG1 4.11Å; A487-V526 PolarHBondContact N-O 2.95Å; A487-L527 CarbonylContact O-C 3.5Å; A487-L527 VanDerWaalsContact O-CA 3.31Å; A487-L527 WeakPolarHBondContact O-CA 3.42Å; A487-R528 PolarHBondContact O-N 3.44Å; A487-C549 CarbonylContact C-O 3.57Å; A487-C549 WeakPolarHBondContact CA-O 3.42Å; A487-C549 WeakPolarHBondContact CB-O 3.4Å; A487-F550 HydrophobicContact CB-CB 4.16Å
488	S	97.2	Very high	96.3	Very high	8 Å²	8	13 Å²	13	6%	0.056	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.3	168.2	-58.7	0	0	0	0	107.1	M530 D534 M548 C549	S488-M530 VanDerWaalsContact O-CE 3.31Å; S488-M530 WeakPolarHBondContact O-CE 3.47Å; S488-D534 WeakPolarHBondContact CB-OD1 3.37Å; S488-D534 PolarHBondContact OG-OD1 3.04Å; S488-D534 VanDerWaalsContact OG-OD1 3.11Å; S488-M548 CarbonylContact O-C 3.54Å; S488-M548 VanDerWaalsContact O-CA 3.24Å; S488-M548 WeakPolarHBondContact O-CA 3.44Å; S488-C549 PolarHBondContact N-O 2.8Å; S488-C549 PolarHBondContact O-N 2.91Å
489	A	97.3	Very high	96.3	Very high	3 Å²	3	15.8 Å²	15.8	3%	0.025	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159.2	-173	0	0	0	0	0	113.2	L493 Y494 I497 S547 M548	A489-L493 HydrophobicContact CB-CB 4.41Å; A489-Y494 HydrophobicContact CB-CD1 4.5Å; A489-Y494 HydrophobicContact CB-CE1 4.25Å; A489-I497 HydrophobicContact CB-CD1 3.59Å; A489-S547 WeakPolarHBondContact CA-O 3.33Å; A489-M548 HydrophobicContact CB-CB 3.67Å
490	S	97.6	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.			trans	-58.2	139.8	161.7	166.8	0	0	0	0	110.5	L492 L493 Y494 S547 E684	S490-L492 PolarHBondContact O-N 3.24Å; S490-L492 PolarHBondContact OG-N 3.32Å; S490-L492 VanDerWaalsContact OG-N 3.16Å; S490-L493 PolarHBondContact O-N 3.47Å; S490-Y494 WeakPolarHBondContact O-CD1 3.39Å; S490-S547 PolarHBondContact N-O 3.35Å; S490-E684 VanDerWaalsContact CB-OE2 3.24Å; S490-E684 WeakPolarHBondContact CB-OE2 3.39Å; S490-E684 PolarHBondContact OG-OE2 2.86Å
491	P	97.1	Very high	96.6	Very high	2 Å²	2	15 Å²	15	1%	0.013	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-49.3	-29.5	170.2	-31	38.1	0	0	0	114.7	L493 Y494 R611 Y612	P491-L493 PolarHBondContact O-N 3.37Å; P491-Y494 HydrophobicContact CB-CD2 4.45Å; P491-Y494 HydrophobicContact CB-CE2 4.18Å; P491-Y494 HydrophobicContact CG-CE2 4.36Å; P491-Y494 PolarHBondContact O-N 3.06Å; P491-R611 HydrophobicContact CB-CB 4.14Å; P491-R611 WeakPolarHBondContact O-CB 3.36Å; P491-Y612 HydrophobicContact CB-CD1 4.01Å; P491-Y612 HydrophobicContact CB-CD2 4.38Å; P491-Y612 HydrophobicContact CB-CE1 4.03Å; P491-Y612 HydrophobicContact CB-CE2 4.47Å; P491-Y612 HydrophobicContact CB-CG 4.14Å; P491-Y612 HydrophobicContact CG-CD1 3.86Å; P491-Y612 HydrophobicContact CG-CE1 3.52Å; P491-Y612 HydrophobicContact CG-CG 4.48Å
492	L	97.4	Very high	96.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-60.2	-26.8	177.1	-65.8	-179.9	0	0	0	113	S490 P546 L607 D608 V609 Y612 V683 E684	S490-L492 PolarHBondContact O-N 3.24Å; S490-L492 PolarHBondContact OG-N 3.32Å; S490-L492 VanDerWaalsContact OG-N 3.16Å; L492-P546 HydrophobicContact CB-CB 4.49Å; L492-P546 HydrophobicContact CD1-CB 4.28Å; L492-P546 HydrophobicContact CD1-CG 3.8Å; L492-L607 HydrophobicContact CB-CB 4.28Å; L492-L607 HydrophobicContact CB-CD2 4.29Å; L492-L607 WeakPolarHBondContact O-CA 3.21Å; L492-D608 WeakPolarHBondContact CD2-O 3.41Å; L492-D608 PolarHBondContact O-N 2.7Å; L492-V609 HydrophobicContact CD2-CB 4.38Å; L492-V609 HydrophobicContact CD2-CG1 4.15Å; L492-Y612 HydrophobicContact CD1-CD2 4.49Å; L492-Y612 HydrophobicContact CD1-CE2 4.07Å; L492-Y612 HydrophobicContact CD2-CD2 3.68Å; L492-Y612 HydrophobicContact CD2-CE2 4.05Å; L492-Y612 HydrophobicContact CG-CD2 3.79Å; L492-Y612 HydrophobicContact CG-CE2 3.61Å; L492-V683 HydrophobicContact CD1-CB 4.43Å; L492-V683 HydrophobicContact CD1-CG1 4.41Å; L492-V683 HydrophobicContact CD2-CG1 4.27Å; L492-E684 HydrophobicContact CD1-CB 4.09Å; L492-E684 WeakPolarHBondContact CD1-OE2 3.42Å
493	L	98.1	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-92.4	-6.5	-176.9	-67.1	168.5	0	0	0	113.5	T471 A489 S490 P491 S495 L496 I497 S547 M548 L607	T471-L493 HydrophobicContact CG2-CD1 4.22Å; T471-L493 HydrophobicContact CG2-CD2 3.97Å; A489-L493 HydrophobicContact CB-CB 4.41Å; S490-L493 PolarHBondContact O-N 3.47Å; P491-L493 PolarHBondContact O-N 3.37Å; L493-S495 PolarHBondContact O-N 3.38Å; L493-L496 HydrophobicContact CD2-CD2 4.14Å; L493-L496 PolarHBondContact O-N 3.48Å; L493-L496 VanDerWaalsContact O-N 3.09Å; L493-I497 HydrophobicContact CB-CD1 4.21Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 2.89Å; L493-S547 WeakPolarHBondContact CD1-O 3.45Å; L493-M548 HydrophobicContact CD1-CB 3.95Å; L493-M548 HydrophobicContact CD1-CG 4.23Å; L493-M548 HydrophobicContact CD1-SD 4.47Å; L493-L607 HydrophobicContact CD2-CD2 3.52Å; L493-L607 HydrophobicContact CG-CD2 4.24Å
494	Y	97.6	Very high	97.2	Very high	37 Å²	37	20.9 Å²	20.9	15%	0.145	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-44.1	-171.9	-70.8	0.5	0	0	0	113	A489 S490 P491 L496 I497 E498 W522 L527	A489-Y494 HydrophobicContact CB-CD1 4.5Å; A489-Y494 HydrophobicContact CB-CE1 4.25Å; S490-Y494 WeakPolarHBondContact O-CD1 3.39Å; P491-Y494 HydrophobicContact CB-CD2 4.45Å; P491-Y494 HydrophobicContact CB-CE2 4.18Å; P491-Y494 HydrophobicContact CG-CE2 4.36Å; P491-Y494 PolarHBondContact O-N 3.06Å; Y494-L496 VanDerWaalsContact C-N 3.32Å; Y494-L496 PolarHBondContact O-N 3.19Å; Y494-I497 PolarHBondContact O-N 2.97Å; Y494-E498 WeakPolarHBondContact O-CB 3.34Å; Y494-E498 PolarHBondContact O-N 2.84Å; Y494-W522 WeakPolarHBondContact O-CH2 3.14Å; Y494-L527 HydrophobicContact CD1-CD1 4.03Å; Y494-L527 HydrophobicContact CD1-CD2 3.96Å; Y494-L527 HydrophobicContact CD2-CD1 3.79Å; Y494-L527 HydrophobicContact CE1-CD1 3.9Å; Y494-L527 HydrophobicContact CE1-CD2 3.83Å; Y494-L527 HydrophobicContact CE1-CG 4.46Å; Y494-L527 HydrophobicContact CE2-CD1 3.66Å; Y494-L527 HydrophobicContact CG-CD1 3.98Å
495	S	97.2	Very high	97.2	Very high	28 Å²	28	21.7 Å²	21.7	20%	0.196	11%	0.111	C	C	.	.	H	α-helix	trans	-67	-33.3	177.7	-63.2	0	0	0	0	112.1	L493 T499 D608 R611	L493-S495 PolarHBondContact O-N 3.38Å; S495-T499 WeakPolarHBondContact O-CG2 3.32Å; S495-T499 PolarHBondContact O-N 2.81Å; S495-T499 VanDerWaalsContact O-N 3.08Å; S495-T499 PolarHBondContact O-OG1 3.3Å; S495-D608 PolarHBondContact OG-OD2 2.97Å; S495-R611 PolarHBondContact OG-NE 2.9Å; S495-R611 PolarHBondContact OG-NH2 3.34Å; S495-R611 VanDerWaalsContact OG-NH2 3.15Å
496	L	97.9	Very high	97.1	Very high	7 Å²	7	22 Å²	22	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-71.5	-40.4	175.6	-175.6	61.1	0	0	0	111.9	L493 Y494 T499 T500 M595 R598 L599	L493-L496 HydrophobicContact CD2-CD2 4.14Å; L493-L496 PolarHBondContact O-N 3.48Å; L493-L496 VanDerWaalsContact O-N 3.09Å; Y494-L496 VanDerWaalsContact C-N 3.32Å; Y494-L496 PolarHBondContact O-N 3.19Å; L496-T499 WeakPolarHBondContact CA-OG1 3.33Å; L496-T499 PolarHBondContact O-OG1 3.31Å; L496-T500 WeakPolarHBondContact O-CB 3.3Å; L496-T500 PolarHBondContact O-N 3.37Å; L496-T500 PolarHBondContact O-OG1 2.89Å; L496-M595 HydrophobicContact CB-CE 4.29Å; L496-M595 HydrophobicContact CD2-CB 4.35Å; L496-M595 HydrophobicContact CD2-CE 3.71Å; L496-M595 HydrophobicContact CG-CE 3.77Å; L496-M595 HydrophobicContact CG-CG 4.42Å; L496-R598 HydrophobicContact CD1-CB 3.62Å; L496-R598 HydrophobicContact CD1-CG 3.8Å; L496-L599 HydrophobicContact CD2-CD1 3.95Å; L496-L599 HydrophobicContact CD2-CD2 3.89Å; L496-L599 HydrophobicContact CD2-CG 3.79Å
497	I	98.4	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-48.7	173.1	-69	165.9	0	0	0	109.5	A489 L493 Y494 T499 T500 M501 W522 M548 F591 M595	A489-I497 HydrophobicContact CB-CD1 3.59Å; L493-I497 HydrophobicContact CB-CD1 4.21Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 2.89Å; Y494-I497 PolarHBondContact O-N 2.97Å; I497-T499 PolarHBondContact O-N 3.38Å; I497-T500 PolarHBondContact O-N 3.39Å; I497-M501 HydrophobicContact CG2-CE 4.11Å; I497-M501 HydrophobicContact CG2-CG 4.28Å; I497-M501 HydrophobicContact CG2-SD 4.2Å; I497-M501 WeakPolarHBondContact O-CB 3.45Å; I497-M501 VanDerWaalsContact O-CG 3.26Å; I497-M501 WeakPolarHBondContact O-CG 3.48Å; I497-M501 PolarHBondContact O-N 3.41Å; I497-W522 HydrophobicContact CB-CH2 4.48Å; I497-W522 HydrophobicContact CG2-CH2 4.2Å; I497-W522 HydrophobicContact CG2-CZ3 3.94Å; I497-M548 HydrophobicContact CD1-CE 4.25Å; I497-M548 HydrophobicContact CG1-CE 4.19Å; I497-M548 HydrophobicContact CG1-SD 4.49Å; I497-F591 HydrophobicContact CG2-CZ 4.32Å; I497-M595 HydrophobicContact CG1-CE 3.76Å; I497-M595 HydrophobicContact CG1-SD 4.34Å
498	E	98.2	Very high	95.9	Very high	32 Å²	32	28.4 Å²	28.4	15%	0.15	14%	0.14	C	C	.	.	H	α-helix	trans	-56.9	-50.8	-180	-171.4	-175.4	162.2	0	0	112.4	Y494 M501 K502 Y514 W522 R611	Y494-E498 WeakPolarHBondContact O-CB 3.34Å; Y494-E498 PolarHBondContact O-N 2.84Å; E498-M501 PolarHBondContact O-N 3.46Å; E498-K502 WeakPolarHBondContact O-CG 3.24Å; E498-K502 PolarHBondContact O-N 2.86Å; E498-K502 WeakPolarHBondContact OE1-CE 3.31Å; E498-K502 IonicContact OE1-NZ 2.69Å; E498-K502 PolarHBondContact OE1-NZ 3.44Å; E498-Y514 HydrophobicContact CG-CD2 4Å; E498-Y514 HydrophobicContact CG-CE2 3.8Å; E498-W522 HydrophobicContact CB-CH2 4.32Å; E498-W522 HydrophobicContact CB-CZ2 3.62Å; E498-W522 HydrophobicContact CG-CZ2 4.05Å; E498-R611 IonicContact OE2-NH2 3.28Å; E498-R611 PolarHBondContact OE2-NH2 3.02Å
499	T	97.4	Very high	95.2	Very high	58 Å²	58	33.3 Å²	33.3	36%	0.356	16%	0.16	S	C	.	.	H	α-helix	trans	-64.1	-43.4	-179.3	47.9	0	0	0	0	111.4	S495 L496 I497 M501 K502 E503	S495-T499 WeakPolarHBondContact O-CG2 3.32Å; S495-T499 PolarHBondContact O-N 2.81Å; S495-T499 VanDerWaalsContact O-N 3.08Å; S495-T499 PolarHBondContact O-OG1 3.3Å; L496-T499 WeakPolarHBondContact CA-OG1 3.33Å; L496-T499 PolarHBondContact O-OG1 3.31Å; I497-T499 PolarHBondContact O-N 3.38Å; T499-M501 PolarHBondContact O-N 2.87Å; T499-K502 WeakPolarHBondContact O-CB 3.38Å; T499-K502 PolarHBondContact O-N 2.79Å; T499-K502 VanDerWaalsContact O-N 3.15Å; T499-E503 PolarHBondContact O-N 3.16Å
500	T	97.9	Very high	94.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-40.8	177	-52.7	0	0	0	0	112	L496 I497 K502 E503 V504 F591 L594 M595	L496-T500 WeakPolarHBondContact O-CB 3.3Å; L496-T500 PolarHBondContact O-N 3.37Å; L496-T500 PolarHBondContact O-OG1 2.89Å; I497-T500 PolarHBondContact O-N 3.39Å; T500-K502 PolarHBondContact O-N 2.89Å; T500-E503 PolarHBondContact O-N 3.09Å; T500-V504 HydrophobicContact CG2-CG2 4.25Å; T500-V504 PolarHBondContact O-N 3.43Å; T500-F591 HydrophobicContact CG2-CD2 3.52Å; T500-F591 HydrophobicContact CG2-CE2 3.63Å; T500-F591 HydrophobicContact CG2-CG 4.2Å; T500-F591 HydrophobicContact CG2-CZ 4.39Å; T500-L594 HydrophobicContact CG2-CB 3.92Å; T500-M595 HydrophobicContact CG2-CG 3.87Å; T500-M595 WeakPolarHBondContact OG1-CG 3.5Å
501	M	97.9	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-24.4	176.3	-76	-166.2	-53.5	0	0	113.4	F485 I497 E498 T499 S512 I513 Y514 W522 V526 F591	F485-M501 HydrophobicContact CD1-CG 4.45Å; F485-M501 HydrophobicContact CD1-SD 3.74Å; F485-M501 HydrophobicContact CE1-CG 4.17Å; F485-M501 HydrophobicContact CE1-SD 3.79Å; I497-M501 HydrophobicContact CG2-CE 4.11Å; I497-M501 HydrophobicContact CG2-CG 4.28Å; I497-M501 HydrophobicContact CG2-SD 4.2Å; I497-M501 WeakPolarHBondContact O-CB 3.45Å; I497-M501 VanDerWaalsContact O-CG 3.26Å; I497-M501 WeakPolarHBondContact O-CG 3.48Å; I497-M501 PolarHBondContact O-N 3.41Å; E498-M501 PolarHBondContact O-N 3.46Å; T499-M501 PolarHBondContact O-N 2.87Å; M501-S512 WeakPolarHBondContact O-CB 3.31Å; M501-I513 HydrophobicContact CB-CB 4.04Å; M501-I513 HydrophobicContact CB-CG2 4.17Å; M501-I513 HydrophobicContact CG-CB 4.11Å; M501-I513 HydrophobicContact CG-CG2 3.75Å; M501-I513 PolarHBondContact O-N 3.26Å; M501-I513 VanDerWaalsContact O-N 3.16Å; M501-I513 HydrophobicContact SD-CG2 3.71Å; M501-Y514 HydrophobicContact CE-CD2 4.36Å; M501-Y514 PolarHBondContact O-N 3.04Å; M501-W522 HydrophobicContact CE-CB 4.22Å; M501-W522 HydrophobicContact CE-CD2 3.49Å; M501-W522 VanDerWaalsContact CE-CD2 3.49Å; M501-W522 HydrophobicContact CE-CE3 3.2Å; M501-W522 HydrophobicContact CE-CG 3.96Å; M501-W522 HydrophobicContact CE-CH2 4.4Å; M501-W522 HydrophobicContact CE-CZ3 3.7Å; M501-W522 HydrophobicContact SD-CE3 4.43Å; M501-V526 HydrophobicContact CE-CG2 4.47Å; M501-V526 HydrophobicContact SD-CG1 4.25Å; M501-V526 HydrophobicContact SD-CG2 4.08Å; M501-F591 HydrophobicContact CG-CE2 3.76Å; M501-F591 HydrophobicContact CG-CZ 4.49Å
502	K	97.4	Very high	94.6	Very high	92 Å²	92	42 Å²	42	40%	0.4	22%	0.218	S	C	.	.	H	α-helix	trans	-74.8	-28.3	173.7	-70.3	169.6	-176.1	167.9	0	111.8	E498 T499 T500 S512 Y514	E498-K502 WeakPolarHBondContact O-CG 3.24Å; E498-K502 PolarHBondContact O-N 2.86Å; E498-K502 WeakPolarHBondContact OE1-CE 3.31Å; E498-K502 IonicContact OE1-NZ 2.69Å; E498-K502 PolarHBondContact OE1-NZ 3.44Å; T499-K502 WeakPolarHBondContact O-CB 3.38Å; T499-K502 PolarHBondContact O-N 2.79Å; T499-K502 VanDerWaalsContact O-N 3.15Å; T500-K502 PolarHBondContact O-N 2.89Å; K502-S512 WeakPolarHBondContact O-CB 3.24Å; K502-Y514 HydrophobicContact CD-CG 4.44Å; K502-Y514 VanDerWaalsContact CE-CE2 3.48Å; K502-Y514 HydrophobicContact CG-CD1 3.89Å; K502-Y514 HydrophobicContact CG-CD2 4.01Å; K502-Y514 HydrophobicContact CG-CG 3.6Å
503	E	95.9	Very high	94.5	Very high	77 Å²	77	41.9 Å²	41.9	36%	0.36	22%	0.218	S	C	.	.	H	α-helix	trans	-87.4	-27.9	-178.6	-63.4	-172	-146.2	0	0	113.1	W120 T499 T500 L594 R598	W120-E503 WeakPolarHBondContact CZ2-OE2 3.29Å; W120-E503 PolarHBondContact NE1-OE2 3.09Å; T499-E503 PolarHBondContact O-N 3.16Å; T500-E503 PolarHBondContact O-N 3.09Å; E503-L594 HydrophobicContact CB-CD1 4.39Å; E503-R598 IonicContact OE1-CZ 3.86Å; E503-R598 IonicContact OE1-NE 3.7Å; E503-R598 IonicContact OE1-NH2 3.89Å; E503-R598 PolarHBondContact OE1-NH2 3.23Å
504	V	96.6	Very high	94.5	Very high	8 Å²	8	44 Å²	44	5%	0.048	23%	0.226	C	C	.	.	S	Bend	trans	-98.1	131.7	-178	-176.5	0	0	0	0	111.5	T500 S512 I513 T587 F591 L594	T500-V504 HydrophobicContact CG2-CG2 4.25Å; T500-V504 PolarHBondContact O-N 3.43Å; V504-S512 CarbonylContact O-C 3.51Å; V504-S512 WeakPolarHBondContact O-CA 3.42Å; V504-I513 HydrophobicContact CB-CD1 3.89Å; V504-I513 HydrophobicContact CB-CG1 4.49Å; V504-I513 HydrophobicContact CG1-CD1 3.71Å; V504-I513 HydrophobicContact CG1-CG1 4.41Å; V504-I513 WeakPolarHBondContact O-CG1 3.41Å; V504-I513 PolarHBondContact O-N 3.41Å; V504-T587 HydrophobicContact CG1-CG2 3.63Å; V504-F591 HydrophobicContact CG2-CB 4.4Å; V504-F591 HydrophobicContact CG2-CD2 4.42Å; V504-L594 HydrophobicContact CG2-CD1 3.62Å
505	N	95.4	Very high	94.4	Very high	88 Å²	88	48 Å²	48	47%	0.471	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-84.9	147.8	175.2	-70.1	-22.7	0	0	0	112.8	V511 S512 T587	N505-V511 WeakPolarHBondContact CA-O 3.35Å; N505-S512 PolarHBondContact OD1-N 2.9Å; N505-T587 WeakPolarHBondContact O-CG2 3.45Å
506	M	93.6	Very high	94.3	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.034	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-64.4	141.4	172.2	-84	-63.9	-69.4	0	0	111.4	Q482 E483 R508 K509 V511 I513 A516 F552	Q482-M506 WeakPolarHBondContact O-CE 3.49Å; E483-M506 WeakPolarHBondContact O-CE 3.22Å; M506-R508 PolarHBondContact O-N 3.07Å; M506-K509 HydrophobicContact CB-CB 4.14Å; M506-K509 PolarHBondContact O-N 3.17Å; M506-V511 PolarHBondContact N-O 2.9Å; M506-I513 HydrophobicContact CG-CG1 4.11Å; M506-I513 HydrophobicContact SD-CB 4.48Å; M506-I513 HydrophobicContact SD-CG1 3.87Å; M506-I513 HydrophobicContact SD-CG2 4.46Å; M506-A516 HydrophobicContact CG-CB 3.56Å; M506-F552 HydrophobicContact SD-CD1 4.37Å; M506-F552 HydrophobicContact SD-CE1 3.99Å
507	P	86.3	Confident	94.2	Very high	27 Å²	27	48 Å²	48	18%	0.175	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.4	-175.8	-25.7	32.4	0	0	0	116	F552 V584 T587	P507-F552 HydrophobicContact CG-CD1 4.42Å; P507-F552 HydrophobicContact CG-CE1 4.33Å; P507-V584 HydrophobicContact CB-CG2 3.85Å; P507-V584 HydrophobicContact CG-CB 4.29Å; P507-V584 HydrophobicContact CG-CG1 4.03Å; P507-V584 HydrophobicContact CG-CG2 4.01Å; P507-T587 HydrophobicContact CG-CG2 4.08Å
508	R	81.8	Confident	93.8	Very high	120 Å²	120	50 Å²	50	45%	0.453	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-16.3	-179	-94.1	-174.8	165.1	177.1	-4.6	114.9	Q482 E483 M506 S578	Q482-R508 VanDerWaalsContact OE1-NE 3.11Å; E483-R508 IonicContact OE1-NH1 3.68Å; M506-R508 PolarHBondContact O-N 3.07Å; R508-S578 PolarHBondContact NH2-OG 2.83Å
509	K	81.8	Confident	93.7	Very high	111 Å²	111	49.1 Å²	49.1	48%	0.483	27%	0.268	S	S	.	.	S	Bend	trans	-122.8	137.4	-171.5	-53.6	179.9	176.1	176.6	0	108.3	M506 V511	M506-K509 HydrophobicContact CB-CB 4.14Å; M506-K509 PolarHBondContact O-N 3.17Å; K509-V511 HydrophobicContact CB-CG2 3.68Å; K509-V511 HydrophobicContact CD-CG2 4.08Å; K509-V511 PolarHBondContact O-N 3.13Å
510	S	87.3	Confident	93.4	Very high	124 Å²	124	51.1 Å²	51.1	87%	0.867	28%	0.284	S	S	*	.	S	Bend	trans	-74.1	26.1	173.3	-50.9	0	0	0	0	113
511	V	94.9	Very high	93.3	Very high	52 Å²	52	56.1 Å²	56.1	32%	0.315	31%	0.311	S	S	.	.	S	Bend	trans	-115.2	154.6	176.5	-59.5	0	0	0	0	109.5	N505 M506 K509 Q515 A516	N505-V511 WeakPolarHBondContact CA-O 3.35Å; M506-V511 PolarHBondContact N-O 2.9Å; K509-V511 HydrophobicContact CB-CG2 3.68Å; K509-V511 HydrophobicContact CD-CG2 4.08Å; K509-V511 PolarHBondContact O-N 3.13Å; V511-Q515 HydrophobicContact CB-CB 4.24Å; V511-A516 HydrophobicContact CG2-CB 4.03Å
512	S	96.9	Very high	93.1	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.07	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-63.9	155.7	176.4	69.6	0	0	0	0	111.6	M501 K502 V504 N505 Y514 Q515 A516	M501-S512 WeakPolarHBondContact O-CB 3.31Å; K502-S512 WeakPolarHBondContact O-CB 3.24Å; V504-S512 CarbonylContact O-C 3.51Å; V504-S512 WeakPolarHBondContact O-CA 3.42Å; N505-S512 PolarHBondContact OD1-N 2.9Å; S512-Y514 PolarHBondContact O-N 3.28Å; S512-Q515 PolarHBondContact O-N 3.15Å; S512-Q515 WeakPolarHBondContact OG-CG 3.49Å; S512-Q515 PolarHBondContact OG-N 3.44Å; S512-A516 WeakPolarHBondContact O-CB 3.22Å; S512-A516 PolarHBondContact O-N 3.32Å
513	I	97.1	Very high	93	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55	-42.2	173.4	-63.8	172.1	0	0	0	109.5	F485 M501 V504 M506 Q515 A516 M517 F552 F591	F485-I513 HydrophobicContact CB-CG2 3.64Å; F485-I513 HydrophobicContact CD1-CG2 3.85Å; F485-I513 HydrophobicContact CD2-CD1 4.39Å; F485-I513 HydrophobicContact CD2-CG2 4.28Å; F485-I513 HydrophobicContact CG-CG2 3.66Å; M501-I513 HydrophobicContact CB-CB 4.04Å; M501-I513 HydrophobicContact CB-CG2 4.17Å; M501-I513 HydrophobicContact CG-CB 4.11Å; M501-I513 HydrophobicContact CG-CG2 3.75Å; M501-I513 PolarHBondContact O-N 3.26Å; M501-I513 VanDerWaalsContact O-N 3.16Å; M501-I513 HydrophobicContact SD-CG2 3.71Å; V504-I513 HydrophobicContact CB-CD1 3.89Å; V504-I513 HydrophobicContact CB-CG1 4.49Å; V504-I513 HydrophobicContact CG1-CD1 3.71Å; V504-I513 HydrophobicContact CG1-CG1 4.41Å; V504-I513 WeakPolarHBondContact O-CG1 3.41Å; V504-I513 PolarHBondContact O-N 3.41Å; M506-I513 HydrophobicContact CG-CG1 4.11Å; M506-I513 HydrophobicContact SD-CB 4.48Å; M506-I513 HydrophobicContact SD-CG1 3.87Å; M506-I513 HydrophobicContact SD-CG2 4.46Å; I513-Q515 PolarHBondContact O-N 2.86Å; I513-A516 PolarHBondContact O-N 3.3Å; I513-M517 HydrophobicContact CG2-CG 4.16Å; I513-M517 WeakPolarHBondContact O-CB 3.29Å; I513-M517 VanDerWaalsContact O-CG 3.29Å; I513-M517 WeakPolarHBondContact O-CG 3.21Å; I513-M517 PolarHBondContact O-N 2.87Å; I513-F552 HydrophobicContact CD1-CE1 4.06Å; I513-F552 HydrophobicContact CD1-CZ 3.82Å; I513-F591 HydrophobicContact CD1-CD2 4.23Å
514	Y	97.4	Very high	92.9	Very high	43 Å²	43	56.4 Å²	56.4	17%	0.169	32%	0.324	C	S	.	.	H	α-helix	trans	-56.5	-50	178	176.6	-95.3	0	0	0	112.4	E498 M501 K502 S512 M517 G519 S520 W522	E498-Y514 HydrophobicContact CG-CD2 4Å; E498-Y514 HydrophobicContact CG-CE2 3.8Å; M501-Y514 HydrophobicContact CE-CD2 4.36Å; M501-Y514 PolarHBondContact O-N 3.04Å; K502-Y514 HydrophobicContact CD-CG 4.44Å; K502-Y514 VanDerWaalsContact CE-CE2 3.48Å; K502-Y514 HydrophobicContact CG-CD1 3.89Å; K502-Y514 HydrophobicContact CG-CD2 4.01Å; K502-Y514 HydrophobicContact CG-CG 3.6Å; S512-Y514 PolarHBondContact O-N 3.28Å; Y514-M517 PolarHBondContact O-N 3.26Å; Y514-G519 VanDerWaalsContact CE1-CA 3.47Å; Y514-G519 VanDerWaalsContact CE2-O 3.23Å; Y514-G519 WeakPolarHBondContact CE2-O 3.29Å; Y514-G519 WeakPolarHBondContact O-CA 3.43Å; Y514-G519 PolarHBondContact O-N 3.18Å; Y514-G519 VanDerWaalsContact OH-C 3.28Å; Y514-G519 PolarHBondContact OH-O 2.97Å; Y514-S520 PolarHBondContact OH-N 3.02Å; Y514-W522 HydrophobicContact CD2-CB 4.25Å; Y514-W522 AromaticContact CD2-CD1 3.94Å; Y514-W522 HydrophobicContact CD2-CG 4.08Å; Y514-W522 HydrophobicContact CE2-CB 4.33Å; Y514-W522 AromaticContact CE2-CD1 3.37Å; Y514-W522 AromaticContact CE2-CG 3.94Å; Y514-W522 HydrophobicContact CE2-CG 3.94Å; Y514-W522 AromaticContact CE2-NE1 4Å
515	Q	96.3	Very high	92.7	Very high	121 Å²	121	57.4 Å²	57.4	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-65.6	-41.1	178.3	-74.1	174.7	-14.8	0	0	111.8	V511 S512 I513 M517 G518	V511-Q515 HydrophobicContact CB-CB 4.24Å; S512-Q515 PolarHBondContact O-N 3.15Å; S512-Q515 WeakPolarHBondContact OG-CG 3.49Å; S512-Q515 PolarHBondContact OG-N 3.44Å; I513-Q515 PolarHBondContact O-N 2.86Å; Q515-M517 PolarHBondContact O-N 3.23Å; Q515-G518 PolarHBondContact O-N 3.4Å
516	A	94.4	Very high	92.7	Very high	26 Å²	26	53.2 Å²	53.2	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-29.7	178.3	0	0	0	0	0	112.8	M506 V511 S512 I513 G518	M506-A516 HydrophobicContact CG-CB 3.56Å; V511-A516 HydrophobicContact CG2-CB 4.03Å; S512-A516 WeakPolarHBondContact O-CB 3.22Å; S512-A516 PolarHBondContact O-N 3.32Å; I513-A516 PolarHBondContact O-N 3.3Å; A516-G518 VanDerWaalsContact C-N 3.35Å
517	M	94.6	Very high	92.8	Very high	9 Å²	9	54 Å²	54	4%	0.044	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	20.7	-178.5	-63.1	-58.5	109.7	0	0	113.4	R484 F485 I513 Y514 Q515 W522 S525 V526	R484-M517 HydrophobicContact CB-CE 4.27Å; R484-M517 HydrophobicContact CB-SD 4.24Å; R484-M517 HydrophobicContact CG-CE 4.28Å; R484-M517 HydrophobicContact CG-SD 4.47Å; F485-M517 HydrophobicContact CB-CG 4.22Å; F485-M517 HydrophobicContact CB-SD 4.26Å; F485-M517 PolarHBondContact N-SD 3.09Å; F485-M517 VanDerWaalsContact N-SD 3.44Å; I513-M517 HydrophobicContact CG2-CG 4.16Å; I513-M517 WeakPolarHBondContact O-CB 3.29Å; I513-M517 VanDerWaalsContact O-CG 3.29Å; I513-M517 WeakPolarHBondContact O-CG 3.21Å; I513-M517 PolarHBondContact O-N 2.87Å; Y514-M517 PolarHBondContact O-N 3.26Å; Q515-M517 PolarHBondContact O-N 3.23Å; M517-W522 WeakPolarHBondContact O-CA 3.48Å; M517-S525 VanDerWaalsContact O-CB 3.25Å; M517-S525 WeakPolarHBondContact O-CB 3.4Å; M517-S525 PolarHBondContact O-OG 2.92Å; M517-V526 HydrophobicContact CB-CG2 3.61Å; M517-V526 HydrophobicContact CG-CG2 3.68Å; M517-V526 HydrophobicContact SD-CG2 4.48Å
518	G	91.9	Very high	93.2	Very high	43 Å²	43	55.4 Å²	55.4	44%	0.443	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	13.7	172.6	0	0	0	0	0	115.1	Q515 A516 S520 N521	Q515-G518 PolarHBondContact O-N 3.4Å; A516-G518 VanDerWaalsContact C-N 3.35Å; G518-S520 PolarHBondContact O-N 3.06Å; G518-S520 VanDerWaalsContact O-N 3.12Å; G518-N521 PolarHBondContact O-N 3.37Å; G518-N521 VanDerWaalsContact O-N 3.1Å
519	G	94.3	Very high	93.7	Very high	14 Å²	14	55 Å²	55	14%	0.144	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	59.6	-114.6	171.5	0	0	0	0	0	112.3	Y514 N521 W522	Y514-G519 VanDerWaalsContact CE1-CA 3.47Å; Y514-G519 VanDerWaalsContact CE2-O 3.23Å; Y514-G519 WeakPolarHBondContact CE2-O 3.29Å; Y514-G519 WeakPolarHBondContact O-CA 3.43Å; Y514-G519 PolarHBondContact O-N 3.18Å; Y514-G519 VanDerWaalsContact OH-C 3.28Å; Y514-G519 PolarHBondContact OH-O 2.97Å; G519-N521 PolarHBondContact O-N 3.06Å; G519-N521 VanDerWaalsContact O-N 3.09Å; G519-W522 VanDerWaalsContact O-CB 3.28Å; G519-W522 WeakPolarHBondContact O-CB 3.26Å; G519-W522 PolarHBondContact O-N 3.2Å
520	S	92.7	Very high	94.2	Very high	99 Å²	99	50.1 Å²	50.1	69%	0.692	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-59	-22.6	179.6	57.6	0	0	0	0	114	Y514 G518	Y514-S520 PolarHBondContact OH-N 3.02Å; G518-S520 PolarHBondContact O-N 3.06Å; G518-S520 VanDerWaalsContact O-N 3.12Å
521	N	93.9	Very high	94.3	Very high	107 Å²	107	46.3 Å²	46.3	57%	0.572	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-98.9	22.7	178.7	-61.9	-25	0	0	0	112.6	G518 G519 E523 S524 S525	G518-N521 PolarHBondContact O-N 3.37Å; G518-N521 VanDerWaalsContact O-N 3.1Å; G519-N521 PolarHBondContact O-N 3.06Å; G519-N521 VanDerWaalsContact O-N 3.09Å; N521-E523 VanDerWaalsContact C-N 3.29Å; N521-E523 PolarHBondContact O-N 3.03Å; N521-S524 PolarHBondContact O-OG 3.38Å; N521-S524 VanDerWaalsContact O-OG 3.12Å; N521-S525 PolarHBondContact O-OG 3.14Å
522	W	95.2	Very high	93.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-35.6	-177	75.3	-86.5	0	0	0	112.8	Y494 I497 E498 M501 Y514 M517 G519 S524 S525 V526 L527	Y494-W522 WeakPolarHBondContact O-CH2 3.14Å; I497-W522 HydrophobicContact CB-CH2 4.48Å; I497-W522 HydrophobicContact CG2-CH2 4.2Å; I497-W522 HydrophobicContact CG2-CZ3 3.94Å; E498-W522 HydrophobicContact CB-CH2 4.32Å; E498-W522 HydrophobicContact CB-CZ2 3.62Å; E498-W522 HydrophobicContact CG-CZ2 4.05Å; M501-W522 HydrophobicContact CE-CB 4.22Å; M501-W522 HydrophobicContact CE-CD2 3.49Å; M501-W522 VanDerWaalsContact CE-CD2 3.49Å; M501-W522 HydrophobicContact CE-CE3 3.2Å; M501-W522 HydrophobicContact CE-CG 3.96Å; M501-W522 HydrophobicContact CE-CH2 4.4Å; M501-W522 HydrophobicContact CE-CZ3 3.7Å; M501-W522 HydrophobicContact SD-CE3 4.43Å; Y514-W522 HydrophobicContact CD2-CB 4.25Å; Y514-W522 AromaticContact CD2-CD1 3.94Å; Y514-W522 HydrophobicContact CD2-CG 4.08Å; Y514-W522 HydrophobicContact CE2-CB 4.33Å; Y514-W522 AromaticContact CE2-CD1 3.37Å; Y514-W522 AromaticContact CE2-CG 3.94Å; Y514-W522 HydrophobicContact CE2-CG 3.94Å; Y514-W522 AromaticContact CE2-NE1 4Å; M517-W522 WeakPolarHBondContact O-CA 3.48Å; G519-W522 VanDerWaalsContact O-CB 3.28Å; G519-W522 WeakPolarHBondContact O-CB 3.26Å; G519-W522 PolarHBondContact O-N 3.2Å; W522-S524 VanDerWaalsContact C-N 3.35Å; W522-S524 PolarHBondContact O-N 3.18Å; W522-S525 PolarHBondContact O-N 3.18Å; W522-V526 HydrophobicContact CB-CG2 4.47Å; W522-V526 HydrophobicContact CE3-CB 3.84Å; W522-V526 HydrophobicContact CE3-CG1 4.23Å; W522-V526 HydrophobicContact CE3-CG2 4.07Å; W522-V526 HydrophobicContact CZ3-CB 4.27Å; W522-V526 HydrophobicContact CZ3-CG1 4.25Å; W522-V526 WeakPolarHBondContact O-CB 3.34Å; W522-V526 WeakPolarHBondContact O-CG2 3.38Å; W522-V526 PolarHBondContact O-N 3.17Å; W522-L527 HydrophobicContact CE3-CG 4.46Å; W522-L527 HydrophobicContact CH2-CD1 3.96Å; W522-L527 HydrophobicContact CH2-CD2 4.15Å; W522-L527 HydrophobicContact CH2-CG 4.17Å; W522-L527 HydrophobicContact CZ3-CD1 3.97Å; W522-L527 HydrophobicContact CZ3-CD2 3.76Å; W522-L527 HydrophobicContact CZ3-CG 3.7Å
523	E	95.2	Very high	93.3	Very high	77 Å²	77	49.7 Å²	49.7	36%	0.36	29%	0.291	S	S	.	.	H	α-helix	trans	-57.4	-46.6	-174.4	-71.3	-172.4	-169.7	0	0	111.5	N521 S525 L527 R611	N521-E523 VanDerWaalsContact C-N 3.29Å; N521-E523 PolarHBondContact O-N 3.03Å; E523-S525 VanDerWaalsContact C-N 3.32Å; E523-S525 PolarHBondContact O-N 3.41Å; E523-L527 HydrophobicContact CB-CD1 3.95Å; E523-L527 HydrophobicContact CG-CD1 3.95Å; E523-L527 VanDerWaalsContact O-CB 3.25Å; E523-L527 WeakPolarHBondContact O-CB 3.33Å; E523-L527 PolarHBondContact O-N 3.3Å; E523-R611 IonicContact OE1-CZ 3.61Å; E523-R611 IonicContact OE1-NH1 2.69Å; E523-R611 PolarHBondContact OE1-NH1 2.9Å
524	S	93.4	Very high	93.1	Very high	94 Å²	94	50.6 Å²	50.6	66%	0.657	30%	0.295	S	S	*	.	H	α-helix	trans	-70.6	-28.2	177.8	59.6	0	0	0	0	113.2	N521 W522	N521-S524 PolarHBondContact O-OG 3.38Å; N521-S524 VanDerWaalsContact O-OG 3.12Å; W522-S524 VanDerWaalsContact C-N 3.35Å; W522-S524 PolarHBondContact O-N 3.18Å
525	S	93.1	Very high	92.9	Very high	30 Å²	30	49.4 Å²	49.4	21%	0.21	29%	0.293	C	S	.	.	H	α-helix	trans	-79.6	-33.4	-179.7	-62.3	0	0	0	0	112.7	R484 M517 N521 W522 E523	R484-S525 PolarHBondContact NH2-O 3.4Å; M517-S525 VanDerWaalsContact O-CB 3.25Å; M517-S525 WeakPolarHBondContact O-CB 3.4Å; M517-S525 PolarHBondContact O-OG 2.92Å; N521-S525 PolarHBondContact O-OG 3.14Å; W522-S525 PolarHBondContact O-N 3.18Å; E523-S525 VanDerWaalsContact C-N 3.32Å; E523-S525 PolarHBondContact O-N 3.41Å
526	V	95.7	Very high	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-105.9	-47.1	-169.4	175.3	0	0	0	0	112.2	F485 I486 A487 M501 M517 W522	F485-V526 HydrophobicContact CD1-CG1 3.63Å; F485-V526 HydrophobicContact CD1-CG2 4.34Å; F485-V526 HydrophobicContact CE1-CG1 3.79Å; I486-V526 CarbonylContact C-O 3.47Å; I486-V526 VanDerWaalsContact CA-O 3.29Å; I486-V526 WeakPolarHBondContact CA-O 3.36Å; A487-V526 HydrophobicContact CB-CG1 4.11Å; A487-V526 PolarHBondContact N-O 2.95Å; M501-V526 HydrophobicContact CE-CG2 4.47Å; M501-V526 HydrophobicContact SD-CG1 4.25Å; M501-V526 HydrophobicContact SD-CG2 4.08Å; M517-V526 HydrophobicContact CB-CG2 3.61Å; M517-V526 HydrophobicContact CG-CG2 3.68Å; M517-V526 HydrophobicContact SD-CG2 4.48Å; W522-V526 HydrophobicContact CB-CG2 4.47Å; W522-V526 HydrophobicContact CE3-CB 3.84Å; W522-V526 HydrophobicContact CE3-CG1 4.23Å; W522-V526 HydrophobicContact CE3-CG2 4.07Å; W522-V526 HydrophobicContact CZ3-CB 4.27Å; W522-V526 HydrophobicContact CZ3-CG1 4.25Å; W522-V526 WeakPolarHBondContact O-CB 3.34Å; W522-V526 WeakPolarHBondContact O-CG2 3.38Å; W522-V526 PolarHBondContact O-N 3.17Å
527	L	95.9	Very high	93	Very high	24 Å²	24	42.8 Å²	42.8	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.2	-167.7	-61.4	173.6	0	0	0	111.3	A487 Y494 W522 E523	A487-L527 CarbonylContact O-C 3.5Å; A487-L527 VanDerWaalsContact O-CA 3.31Å; A487-L527 WeakPolarHBondContact O-CA 3.42Å; Y494-L527 HydrophobicContact CD1-CD1 4.03Å; Y494-L527 HydrophobicContact CD1-CD2 3.96Å; Y494-L527 HydrophobicContact CD2-CD1 3.79Å; Y494-L527 HydrophobicContact CE1-CD1 3.9Å; Y494-L527 HydrophobicContact CE1-CD2 3.83Å; Y494-L527 HydrophobicContact CE1-CG 4.46Å; Y494-L527 HydrophobicContact CE2-CD1 3.66Å; Y494-L527 HydrophobicContact CG-CD1 3.98Å; W522-L527 HydrophobicContact CE3-CG 4.46Å; W522-L527 HydrophobicContact CH2-CD1 3.96Å; W522-L527 HydrophobicContact CH2-CD2 4.15Å; W522-L527 HydrophobicContact CH2-CG 4.17Å; W522-L527 HydrophobicContact CZ3-CD1 3.97Å; W522-L527 HydrophobicContact CZ3-CD2 3.76Å; W522-L527 HydrophobicContact CZ3-CG 3.7Å; E523-L527 HydrophobicContact CB-CD1 3.95Å; E523-L527 HydrophobicContact CG-CD1 3.95Å; E523-L527 VanDerWaalsContact O-CB 3.25Å; E523-L527 WeakPolarHBondContact O-CB 3.33Å; E523-L527 PolarHBondContact O-N 3.3Å
528	R	93.9	Very high	93	Very high	56 Å²	56	42.5 Å²	42.5	21%	0.211	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.4	168.5	-62.1	-65.3	175.8	-78.5	-2.1	108.4	A487 M530 E558	A487-R528 PolarHBondContact O-N 3.44Å; R528-M530 PolarHBondContact O-N 2.8Å; R528-E558 IonicContact CZ-OE1 3.73Å; R528-E558 IonicContact CZ-OE2 3.06Å; R528-E558 IonicContact NE-OE1 3.44Å; R528-E558 PolarHBondContact NE-OE1 3.01Å; R528-E558 IonicContact NE-OE2 2.72Å; R528-E558 PolarHBondContact NE-OE2 2.96Å; R528-E558 IonicContact NH2-OE1 3.67Å; R528-E558 PolarHBondContact NH2-OE1 3.31Å; R528-E558 IonicContact NH2-OE2 3.67Å
529	T	91.7	Very high	93.3	Very high	112 Å²	112	40.4 Å²	40.4	69%	0.687	24%	0.235	S	C	*	.			trans	-75.8	127.2	174.2	-56.4	0	0	0	0	107.6	L704	T529-L704 HydrophobicContact CG2-CD2 3.95Å
530	M	92.4	Very high	93.4	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.034	23%	0.228	C	C	.	.			trans	-62.8	138.5	177.2	-160.1	-179.5	-75.5	0	0	110.7	S488 R528 D534 A536 Y537 L540 S547	S488-M530 VanDerWaalsContact O-CE 3.31Å; S488-M530 WeakPolarHBondContact O-CE 3.47Å; R528-M530 PolarHBondContact O-N 2.8Å; M530-D534 WeakPolarHBondContact CA-OD2 3.5Å; M530-D534 HydrophobicContact CG-CB 3.73Å; M530-A536 HydrophobicContact CE-CB 4.13Å; M530-A536 HydrophobicContact SD-CB 4.29Å; M530-Y537 HydrophobicContact CB-CD2 4.28Å; M530-Y537 HydrophobicContact CG-CD2 3.8Å; M530-Y537 HydrophobicContact SD-CD2 4.12Å; M530-L540 HydrophobicContact CB-CD2 4.35Å; M530-L540 HydrophobicContact CE-CD2 4.08Å; M530-L540 HydrophobicContact SD-CB 4.01Å; M530-L540 HydrophobicContact SD-CD2 3.54Å; M530-L540 VanDerWaalsContact SD-CD2 3.54Å; M530-L540 HydrophobicContact SD-CG 4.45Å; M530-S547 WeakPolarHBondContact CE-O 3.43Å; M530-S547 WeakPolarHBondContact CE-OG 3.34Å
531	S	89.4	Confident	93.5	Very high	44 Å²	44	35 Å²	35	31%	0.308	20%	0.195	S	C	.	.			trans	-135.9	171.8	-171.3	73	0	0	0	0	111	E533 D534 Y537	S531-E533 PolarHBondContact O-N 3.14Å; S531-E533 VanDerWaalsContact O-N 3.09Å; S531-D534 PolarHBondContact N-OD2 3.28Å; S531-D534 WeakPolarHBondContact O-CB 3.34Å; S531-D534 PolarHBondContact O-N 3.33Å; S531-D534 PolarHBondContact OG-OD2 3.25Å; S531-D534 VanDerWaalsContact OG-OD2 3.06Å; S531-Y537 WeakPolarHBondContact O-CB 3.28Å; S531-Y537 VanDerWaalsContact O-CG 3.22Å
532	V	87.7	Confident	93.5	Very high	19 Å²	19	30.2 Å²	30.2	12%	0.115	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22	-179.7	-174.8	0	0	0	0	112.8	D534 Y537 F699	V532-D534 VanDerWaalsContact C-N 3.34Å; V532-Y537 HydrophobicContact CB-CD1 4.4Å; V532-Y537 HydrophobicContact CB-CE1 4.41Å; V532-Y537 HydrophobicContact CG2-CD1 4.19Å; V532-Y537 HydrophobicContact CG2-CE1 3.71Å; V532-F699 HydrophobicContact CG1-CE2 4.24Å; V532-F699 HydrophobicContact CG1-CZ 4.42Å; V532-F699 HydrophobicContact CG2-CE2 4.16Å
533	E	84.2	Confident	93.4	Very high	115 Å²	115	30.2 Å²	30.2	54%	0.537	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.6	176.7	-62.8	-179.1	-172.4	0	0	113.2	I250 S251 S531 P535	I250-E533 VanDerWaalsContact C-OE1 3.24Å; S251-E533 WeakPolarHBondContact CA-OE1 3.35Å; S251-E533 WeakPolarHBondContact CB-OE1 3.49Å; S251-E533 PolarHBondContact N-OE1 2.99Å; S531-E533 PolarHBondContact O-N 3.14Å; S531-E533 VanDerWaalsContact O-N 3.09Å; E533-P535 WeakPolarHBondContact O-CD 3.26Å
534	D	92.1	Very high	93.4	Very high	18 Å²	18	26.6 Å²	26.6	10%	0.096	15%	0.154	C	C	.	.	S	Bend	trans	-75.6	124	179.9	-66.7	-78.9	0	0	0	109.6	S488 M530 S531 V532 A536 Y537	S488-D534 WeakPolarHBondContact CB-OD1 3.37Å; S488-D534 PolarHBondContact OG-OD1 3.04Å; S488-D534 VanDerWaalsContact OG-OD1 3.11Å; M530-D534 WeakPolarHBondContact CA-OD2 3.5Å; M530-D534 HydrophobicContact CG-CB 3.73Å; S531-D534 PolarHBondContact N-OD2 3.28Å; S531-D534 WeakPolarHBondContact O-CB 3.34Å; S531-D534 PolarHBondContact O-N 3.33Å; S531-D534 PolarHBondContact OG-OD2 3.25Å; S531-D534 VanDerWaalsContact OG-OD2 3.06Å; V532-D534 VanDerWaalsContact C-N 3.34Å; D534-A536 PolarHBondContact O-N 3.42Å; D534-Y537 WeakPolarHBondContact O-CB 3.42Å; D534-Y537 PolarHBondContact O-N 3.3Å
535	P	92.4	Very high	93.6	Very high	19 Å²	19	22.1 Å²	22.1	12%	0.123	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.1	-180	-27.5	37.2	0	0	0	114.7	N451 N474 D476 E533 Y537 P538	N451-P535 WeakPolarHBondContact OD1-CB 3.14Å; N474-P535 WeakPolarHBondContact ND2-CB 3.26Å; D476-P535 HydrophobicContact CB-CG 4.18Å; D476-P535 WeakPolarHBondContact OD2-CB 3.49Å; E533-P535 WeakPolarHBondContact O-CD 3.26Å; P535-Y537 VanDerWaalsContact C-N 3.32Å; P535-P538 WeakPolarHBondContact O-CD 3.22Å
536	A	96.6	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.9	174.3	0	0	0	0	0	114.2	Y472 N474 M530 D534 F539 L540 S547 C549	Y472-A536 HydrophobicContact CD1-CB 3.84Å; Y472-A536 HydrophobicContact CE1-CB 3.92Å; N474-A536 HydrophobicContact CB-CB 4.05Å; M530-A536 HydrophobicContact CE-CB 4.13Å; M530-A536 HydrophobicContact SD-CB 4.29Å; D534-A536 PolarHBondContact O-N 3.42Å; A536-F539 WeakPolarHBondContact O-CB 3.31Å; A536-F539 PolarHBondContact O-N 3.02Å; A536-L540 PolarHBondContact O-N 3.48Å; A536-S547 PolarHBondContact O-OG 3.02Å; A536-C549 WeakPolarHBondContact CB-SG 3.36Å
537	Y	96.4	Very high	93.9	Very high	8 Å²	8	20.9 Å²	20.9	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-40.6	-174.5	-171.8	-111.1	0	0	0	114.4	M530 S531 V532 D534 P535 F539 L540 A541 F699 L704	M530-Y537 HydrophobicContact CB-CD2 4.28Å; M530-Y537 HydrophobicContact CG-CD2 3.8Å; M530-Y537 HydrophobicContact SD-CD2 4.12Å; S531-Y537 WeakPolarHBondContact O-CB 3.28Å; S531-Y537 VanDerWaalsContact O-CG 3.22Å; V532-Y537 HydrophobicContact CB-CD1 4.4Å; V532-Y537 HydrophobicContact CB-CE1 4.41Å; V532-Y537 HydrophobicContact CG2-CD1 4.19Å; V532-Y537 HydrophobicContact CG2-CE1 3.71Å; D534-Y537 WeakPolarHBondContact O-CB 3.42Å; D534-Y537 PolarHBondContact O-N 3.3Å; P535-Y537 VanDerWaalsContact C-N 3.32Å; Y537-F539 VanDerWaalsContact C-N 3.3Å; Y537-F539 PolarHBondContact O-N 2.96Å; Y537-L540 PolarHBondContact O-N 3.32Å; Y537-L540 VanDerWaalsContact O-N 3.14Å; Y537-A541 HydrophobicContact CD1-CB 4.16Å; Y537-A541 HydrophobicContact CD2-CB 4.01Å; Y537-A541 HydrophobicContact CE1-CB 3.78Å; Y537-A541 HydrophobicContact CE2-CB 3.64Å; Y537-A541 HydrophobicContact CG-CB 4.28Å; Y537-A541 WeakPolarHBondContact O-CB 3.36Å; Y537-A541 PolarHBondContact O-N 3.33Å; Y537-F699 AromaticContact CD1-CD1 3.86Å; Y537-F699 HydrophobicContact CD1-CD1 3.86Å; Y537-F699 AromaticContact CD1-CE1 3.69Å; Y537-F699 HydrophobicContact CD1-CE1 3.69Å; Y537-F699 HydrophobicContact CD1-CE2 4.37Å; Y537-F699 HydrophobicContact CD1-CG 4.29Å; Y537-F699 AromaticContact CD1-CZ 3.96Å; Y537-F699 HydrophobicContact CD1-CZ 3.96Å; Y537-F699 HydrophobicContact CE1-CB 4.11Å; Y537-F699 AromaticContact CE1-CD1 3.52Å; Y537-F699 HydrophobicContact CE1-CD1 3.52Å; Y537-F699 AromaticContact CE1-CD2 3.73Å; Y537-F699 HydrophobicContact CE1-CD2 3.73Å; Y537-F699 AromaticContact CE1-CE1 3.76Å; Y537-F699 HydrophobicContact CE1-CE1 3.76Å; Y537-F699 AromaticContact CE1-CE2 3.94Å; Y537-F699 HydrophobicContact CE1-CE2 3.94Å; Y537-F699 AromaticContact CE1-CG 3.5Å; Y537-F699 HydrophobicContact CE1-CG 3.5Å; Y537-F699 VanDerWaalsContact CE1-CG 3.5Å; Y537-F699 AromaticContact CE1-CZ 3.96Å; Y537-F699 HydrophobicContact CE1-CZ 3.96Å; Y537-L704 WeakPolarHBondContact CE2-O 3.28Å; Y537-L704 VanDerWaalsContact CZ-O 3.27Å; Y537-L704 PolarHBondContact OH-O 2.83Å
538	P	95.4	Very high	94	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.013	11%	0.108	C	C	.	.	I	π-helix	trans	-61	-36.8	175.4	-23.8	35.4	0	0	0	112.9	S292 N451 L458 P535 L540 F542 A543	S292-P538 VanDerWaalsContact OG-CG 3.22Å; S292-P538 WeakPolarHBondContact OG-CG 3.47Å; N451-P538 HydrophobicContact CB-CG 4.35Å; L458-P538 HydrophobicContact CD1-CB 3.99Å; P535-P538 WeakPolarHBondContact O-CD 3.22Å; P538-L540 VanDerWaalsContact C-N 3.28Å; P538-L540 PolarHBondContact O-N 2.95Å; P538-F542 WeakPolarHBondContact O-CA 3.28Å; P538-F542 WeakPolarHBondContact O-CB 3.38Å; P538-F542 PolarHBondContact O-N 3.39Å; P538-F542 VanDerWaalsContact O-N 3.09Å; P538-A543 PolarHBondContact O-N 3.33Å
539	F	96.9	Very high	94.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-60.8	-40.9	176.2	-70.1	-99.6	0	0	0	111.1	W444 A454 W457 L458 Y472 A536 Y537 A543 G544 I545	W444-F539 HydrophobicContact CH2-CZ 4.42Å; W444-F539 AromaticContact CZ2-CZ 3.77Å; W444-F539 HydrophobicContact CZ2-CZ 3.77Å; A454-F539 HydrophobicContact CB-CE2 3.95Å; A454-F539 HydrophobicContact CB-CZ 4.21Å; W457-F539 HydrophobicContact CE3-CE1 4.28Å; W457-F539 AromaticContact CZ3-CE1 3.84Å; W457-F539 HydrophobicContact CZ3-CE1 3.84Å; L458-F539 HydrophobicContact CD1-CD1 4.16Å; L458-F539 HydrophobicContact CD1-CD2 4.05Å; L458-F539 HydrophobicContact CD1-CE1 4.29Å; L458-F539 HydrophobicContact CD1-CE2 4.17Å; L458-F539 HydrophobicContact CD1-CG 4.03Å; L458-F539 HydrophobicContact CD1-CZ 4.27Å; L458-F539 HydrophobicContact CD2-CD1 3.8Å; L458-F539 HydrophobicContact CD2-CE1 3.77Å; L458-F539 HydrophobicContact CD2-CG 4.46Å; L458-F539 HydrophobicContact CD2-CZ 4.39Å; L458-F539 HydrophobicContact CG-CD1 4.44Å; L458-F539 HydrophobicContact CG-CE1 4.25Å; L458-F539 HydrophobicContact CG-CZ 4.39Å; Y472-F539 HydrophobicContact CD1-CB 3.98Å; Y472-F539 AromaticContact CD1-CD1 3.98Å; Y472-F539 HydrophobicContact CD1-CD1 3.98Å; Y472-F539 AromaticContact CD1-CD2 3.41Å; Y472-F539 HydrophobicContact CD1-CD2 3.41Å; Y472-F539 VanDerWaalsContact CD1-CD2 3.41Å; Y472-F539 HydrophobicContact CD1-CE1 4.34Å; Y472-F539 AromaticContact CD1-CE2 3.85Å; Y472-F539 HydrophobicContact CD1-CE2 3.85Å; Y472-F539 AromaticContact CD1-CG 3.5Å; Y472-F539 HydrophobicContact CD1-CG 3.5Å; Y472-F539 HydrophobicContact CD1-CZ 4.3Å; Y472-F539 AromaticContact CD2-CD1 3.73Å; Y472-F539 HydrophobicContact CD2-CD1 3.73Å; Y472-F539 HydrophobicContact CD2-CD2 4.25Å; Y472-F539 AromaticContact CD2-CE1 3.48Å; Y472-F539 HydrophobicContact CD2-CE1 3.48Å; Y472-F539 VanDerWaalsContact CD2-CE1 3.48Å; Y472-F539 HydrophobicContact CD2-CE2 4.04Å; Y472-F539 HydrophobicContact CD2-CG 4.12Å; Y472-F539 AromaticContact CD2-CZ 3.67Å; Y472-F539 HydrophobicContact CD2-CZ 3.67Å; Y472-F539 AromaticContact CE1-CD2 3.43Å; Y472-F539 HydrophobicContact CE1-CD2 3.43Å; Y472-F539 VanDerWaalsContact CE1-CD2 3.43Å; Y472-F539 AromaticContact CE1-CE2 3.49Å; Y472-F539 HydrophobicContact CE1-CE2 3.49Å; Y472-F539 VanDerWaalsContact CE1-CE2 3.49Å; Y472-F539 HydrophobicContact CE1-CG 4.03Å; Y472-F539 HydrophobicContact CE1-CZ 4.11Å; Y472-F539 HydrophobicContact CE2-CD1 4.36Å; Y472-F539 HydrophobicContact CE2-CD2 4.28Å; Y472-F539 AromaticContact CE2-CE1 3.8Å; Y472-F539 HydrophobicContact CE2-CE1 3.8Å; Y472-F539 AromaticContact CE2-CE2 3.72Å; Y472-F539 HydrophobicContact CE2-CE2 3.72Å; Y472-F539 AromaticContact CE2-CZ 3.47Å; Y472-F539 HydrophobicContact CE2-CZ 3.47Å; Y472-F539 VanDerWaalsContact CE2-CZ 3.47Å; Y472-F539 HydrophobicContact CG-CB 4.14Å; Y472-F539 AromaticContact CG-CD1 3.49Å; Y472-F539 HydrophobicContact CG-CD1 3.49Å; Y472-F539 VanDerWaalsContact CG-CD1 3.49Å; Y472-F539 AromaticContact CG-CD2 3.83Å; Y472-F539 HydrophobicContact CG-CD2 3.83Å; Y472-F539 AromaticContact CG-CE1 3.77Å; Y472-F539 HydrophobicContact CG-CE1 3.77Å; Y472-F539 HydrophobicContact CG-CE2 4.1Å; Y472-F539 AromaticContact CG-CG 3.53Å; Y472-F539 HydrophobicContact CG-CG 3.53Å; Y472-F539 HydrophobicContact CG-CZ 4.08Å; Y472-F539 AromaticContact CZ-CD2 3.88Å; Y472-F539 AromaticContact CZ-CE2 3.41Å; Y472-F539 VanDerWaalsContact CZ-CE2 3.41Å; Y472-F539 AromaticContact CZ-CZ 3.68Å; A536-F539 WeakPolarHBondContact O-CB 3.31Å; A536-F539 PolarHBondContact O-N 3.02Å; Y537-F539 VanDerWaalsContact C-N 3.3Å; Y537-F539 PolarHBondContact O-N 2.96Å; F539-A543 CarbonylContact O-C 3.54Å; F539-A543 WeakPolarHBondContact O-CB 3.49Å; F539-G544 PolarHBondContact O-N 2.94Å; F539-I545 CarbonylContact C-O 3.58Å; F539-I545 HydrophobicContact CB-CB 4.35Å; F539-I545 HydrophobicContact CD1-CD1 4.07Å; F539-I545 WeakPolarHBondContact O-CB 3.29Å; F539-I545 PolarHBondContact O-N 3.45Å
540	L	96.5	Very high	94.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-79.7	-60.2	-179.4	-177.7	61	0	0	0	112.9	M530 A536 Y537 P538 G544 I545 S547 E684 L704	M530-L540 HydrophobicContact CB-CD2 4.35Å; M530-L540 HydrophobicContact CE-CD2 4.08Å; M530-L540 HydrophobicContact SD-CB 4.01Å; M530-L540 HydrophobicContact SD-CD2 3.54Å; M530-L540 VanDerWaalsContact SD-CD2 3.54Å; M530-L540 HydrophobicContact SD-CG 4.45Å; A536-L540 PolarHBondContact O-N 3.48Å; Y537-L540 PolarHBondContact O-N 3.32Å; Y537-L540 VanDerWaalsContact O-N 3.14Å; P538-L540 VanDerWaalsContact C-N 3.28Å; P538-L540 PolarHBondContact O-N 2.95Å; L540-G544 VanDerWaalsContact O-CA 3.31Å; L540-G544 WeakPolarHBondContact O-CA 3.22Å; L540-G544 PolarHBondContact O-N 2.92Å; L540-G544 VanDerWaalsContact O-N 3.15Å; L540-I545 WeakPolarHBondContact CA-O 3.33Å; L540-S547 WeakPolarHBondContact CB-OG 3.42Å; L540-E684 HydrophobicContact CD1-CG 3.88Å; L540-E684 WeakPolarHBondContact CD1-OE1 3.34Å; L540-L704 HydrophobicContact CD2-CB 4.45Å; L540-L704 HydrophobicContact CD2-CD1 3.58Å; L540-L704 HydrophobicContact CG-CD1 4.41Å
541	A	95.5	Very high	94.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-82	-24.5	-166.3	0	0	0	0	0	113.3	Y537 L688 F699 R700 H701	Y537-A541 HydrophobicContact CD1-CB 4.16Å; Y537-A541 HydrophobicContact CD2-CB 4.01Å; Y537-A541 HydrophobicContact CE1-CB 3.78Å; Y537-A541 HydrophobicContact CE2-CB 3.64Å; Y537-A541 HydrophobicContact CG-CB 4.28Å; Y537-A541 WeakPolarHBondContact O-CB 3.36Å; Y537-A541 PolarHBondContact O-N 3.33Å; A541-L688 WeakPolarHBondContact O-CD2 3.48Å; A541-F699 HydrophobicContact CB-CB 3.94Å; A541-F699 HydrophobicContact CB-CD1 3.87Å; A541-F699 HydrophobicContact CB-CG 4.25Å; A541-F699 CarbonylContact O-C 3.53Å; A541-F699 VanDerWaalsContact O-C 3.31Å; A541-F699 WeakPolarHBondContact O-CA 3.29Å; A541-R700 PolarHBondContact O-N 2.88Å; A541-H701 HydrophobicContact CB-CB 4.34Å; A541-H701 PolarHBondContact O-N 3.17Å
542	F	93.2	Very high	94.9	Very high	5 Å²	5	10.4 Å²	10.4	2%	0.022	5%	0.054	C	C	.	.	I	π-helix	trans	-101.1	-50.1	178.6	163.9	-103.2	0	0	0	112.3	L458 E459 M462 P538 L688 V694 P698 F699	L458-F542 HydrophobicContact CB-CD1 4.1Å; L458-F542 HydrophobicContact CB-CE1 3.74Å; L458-F542 HydrophobicContact CD1-CD1 4.21Å; E459-F542 HydrophobicContact CG-CE1 3.99Å; E459-F542 HydrophobicContact CG-CZ 3.67Å; M462-F542 HydrophobicContact CG-CZ 4.32Å; M462-F542 HydrophobicContact SD-CE2 3.78Å; M462-F542 HydrophobicContact SD-CZ 3.61Å; P538-F542 WeakPolarHBondContact O-CA 3.28Å; P538-F542 WeakPolarHBondContact O-CB 3.38Å; P538-F542 PolarHBondContact O-N 3.39Å; P538-F542 VanDerWaalsContact O-N 3.09Å; F542-L688 WeakPolarHBondContact O-CD1 3.36Å; F542-V694 HydrophobicContact CD2-CG1 4.17Å; F542-V694 HydrophobicContact CD2-CG2 4.45Å; F542-V694 HydrophobicContact CE2-CB 4.28Å; F542-V694 HydrophobicContact CE2-CG1 3.43Å; F542-V694 VanDerWaalsContact CE2-CG1 3.43Å; F542-V694 HydrophobicContact CE2-CG2 3.86Å; F542-V694 HydrophobicContact CZ-CG1 4.33Å; F542-P698 HydrophobicContact CD2-CB 4.36Å; F542-P698 WeakPolarHBondContact CD2-O 3.46Å; F542-F699 HydrophobicContact CB-CD1 4.21Å
543	A	94	Very high	95.2	Very high	4 Å²	4	9.7 Å²	9.7	3%	0.033	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.1	-176.2	0	0	0	0	0	115	L458 V465 P538 F539 I545 H685	L458-A543 HydrophobicContact CD1-CB 4.23Å; L458-A543 HydrophobicContact CD2-CB 3.85Å; L458-A543 HydrophobicContact CG-CB 4.46Å; V465-A543 HydrophobicContact CG1-CB 4.13Å; P538-A543 PolarHBondContact O-N 3.33Å; F539-A543 CarbonylContact O-C 3.54Å; F539-A543 WeakPolarHBondContact O-CB 3.49Å; A543-I545 HydrophobicContact CB-CD1 3.79Å; A543-I545 HydrophobicContact CB-CG1 4.1Å; A543-H685 PolarHBondContact O-ND1 2.98Å
544	G	95.5	Very high	95.5	Very high	2 Å²	2	6 Å²	6	2%	0.021	3%	0.031	C	C	.	.			trans	73.6	35	178.9	0	0	0	0	0	112.8	F539 L540 E684 H685	F539-G544 PolarHBondContact O-N 2.94Å; L540-G544 VanDerWaalsContact O-CA 3.31Å; L540-G544 WeakPolarHBondContact O-CA 3.22Å; L540-G544 PolarHBondContact O-N 2.92Å; L540-G544 VanDerWaalsContact O-N 3.15Å; G544-E684 VanDerWaalsContact C-CG 3.46Å; G544-E684 CarbonylContact O-C 3.59Å; G544-E684 VanDerWaalsContact O-CB 3.28Å; G544-E684 WeakPolarHBondContact O-CB 3.19Å; G544-E684 VanDerWaalsContact O-CG 3.28Å; G544-E684 WeakPolarHBondContact O-CG 3.24Å; G544-H685 PolarHBondContact O-N 3.43Å; G544-H685 VanDerWaalsContact O-N 3.13Å
545	I	97.3	Very high	95.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.			trans	-105	129.3	178.3	-61.1	164.2	0	0	0	108.2	L458 V465 V469 F539 L540 A543 S547	L458-I545 HydrophobicContact CD2-CD1 3.98Å; V465-I545 HydrophobicContact CB-CD1 4.48Å; V465-I545 HydrophobicContact CG1-CD1 4.07Å; V465-I545 HydrophobicContact CG2-CD1 3.68Å; V469-I545 HydrophobicContact CB-CD1 3.97Å; V469-I545 HydrophobicContact CB-CG1 4.34Å; V469-I545 HydrophobicContact CB-CG2 4.29Å; V469-I545 HydrophobicContact CG1-CD1 4.03Å; V469-I545 HydrophobicContact CG1-CG1 4.41Å; V469-I545 HydrophobicContact CG1-CG2 3.55Å; V469-I545 HydrophobicContact CG2-CD1 4.38Å; F539-I545 CarbonylContact C-O 3.58Å; F539-I545 HydrophobicContact CB-CB 4.35Å; F539-I545 HydrophobicContact CD1-CD1 4.07Å; F539-I545 WeakPolarHBondContact O-CB 3.29Å; F539-I545 PolarHBondContact O-N 3.45Å; L540-I545 WeakPolarHBondContact CA-O 3.33Å; A543-I545 HydrophobicContact CB-CD1 3.79Å; A543-I545 HydrophobicContact CB-CG1 4.1Å; I545-S547 PolarHBondContact O-N 2.95Å
546	P	97.8	Very high	94.2	Very high	4 Å²	4	14.1 Å²	14.1	3%	0.026	8%	0.078	C	C	.	.			trans	-58.8	118.2	176.3	-20.2	29.7	0	0	0	109.3	F470 T471 Y472 L492 L607 E684	F470-P546 WeakPolarHBondContact O-CD 3.23Å; F470-P546 WeakPolarHBondContact O-CG 3.49Å; T471-P546 CarbonylContact C-O 3.54Å; T471-P546 WeakPolarHBondContact CA-O 3.35Å; Y472-P546 PolarHBondContact N-O 2.91Å; L492-P546 HydrophobicContact CB-CB 4.49Å; L492-P546 HydrophobicContact CD1-CB 4.28Å; L492-P546 HydrophobicContact CD1-CG 3.8Å; P546-L607 HydrophobicContact CB-CD2 4.46Å; P546-L607 HydrophobicContact CG-CD1 4.22Å; P546-E684 HydrophobicContact CG-CB 3.84Å; P546-E684 HydrophobicContact CG-CG 4.02Å
547	S	97.8	Very high	93.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	162.3	-173.4	81.2	0	0	0	0	112.9	Y472 A489 S490 L493 M530 A536 L540 I545	Y472-S547 CarbonylContact O-C 3.6Å; Y472-S547 WeakPolarHBondContact O-CA 3.45Å; A489-S547 WeakPolarHBondContact CA-O 3.33Å; S490-S547 PolarHBondContact N-O 3.35Å; L493-S547 WeakPolarHBondContact CD1-O 3.45Å; M530-S547 WeakPolarHBondContact CE-O 3.43Å; M530-S547 WeakPolarHBondContact CE-OG 3.34Å; A536-S547 PolarHBondContact O-OG 3.02Å; L540-S547 WeakPolarHBondContact CB-OG 3.42Å; I545-S547 PolarHBondContact O-N 2.95Å
548	M	97.6	Very high	92.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.8	175.1	68.4	176.5	-70.3	0	0	114.4	Y472 I473 N474 S488 A489 L493 I497 F550 F591 M595	Y472-M548 PolarHBondContact O-N 2.85Å; I473-M548 HydrophobicContact CB-CG 4.38Å; I473-M548 HydrophobicContact CG1-CG 4.15Å; I473-M548 HydrophobicContact CG1-SD 4.24Å; I473-M548 HydrophobicContact CG2-CG 4.17Å; I473-M548 HydrophobicContact CG2-SD 4.32Å; N474-M548 WeakPolarHBondContact CB-O 3.25Å; N474-M548 PolarHBondContact N-O 3.45Å; S488-M548 CarbonylContact O-C 3.54Å; S488-M548 VanDerWaalsContact O-CA 3.24Å; S488-M548 WeakPolarHBondContact O-CA 3.44Å; A489-M548 HydrophobicContact CB-CB 3.67Å; L493-M548 HydrophobicContact CD1-CB 3.95Å; L493-M548 HydrophobicContact CD1-CG 4.23Å; L493-M548 HydrophobicContact CD1-SD 4.47Å; I497-M548 HydrophobicContact CD1-CE 4.25Å; I497-M548 HydrophobicContact CG1-CE 4.19Å; I497-M548 HydrophobicContact CG1-SD 4.49Å; M548-F550 HydrophobicContact CE-CB 3.91Å; M548-F550 HydrophobicContact CE-CD1 3.82Å; M548-F550 HydrophobicContact CE-CG 4.2Å; M548-F591 HydrophobicContact CE-CE1 3.86Å; M548-F591 HydrophobicContact CE-CZ 4.47Å; M548-M595 HydrophobicContact CE-CE 4.07Å; M548-M595 HydrophobicContact CE-SD 3.67Å; M548-M595 HydrophobicContact SD-CE 3.23Å; M548-M595 WeakPolarHBondContact SD-CE 3.47Å; M548-M595 HydrophobicContact SD-SD 3.44Å
549	C	96.9	Very high	91.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.4	161.3	-61	0	0	0	0	108.6	A487 S488 A536	A487-C549 CarbonylContact C-O 3.57Å; A487-C549 WeakPolarHBondContact CA-O 3.42Å; A487-C549 WeakPolarHBondContact CB-O 3.4Å; S488-C549 PolarHBondContact N-O 2.8Å; S488-C549 PolarHBondContact O-N 2.91Å; A536-C549 WeakPolarHBondContact CB-SG 3.36Å
550	F	97.6	Very high	90.9	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.1	174.8	71.5	-84.8	0	0	0	111	I473 L475 A478 F485 I486 A487 M548 F552 A588 F591 A592	I473-F550 HydrophobicContact CG2-CE1 4.23Å; L475-F550 HydrophobicContact CD2-CE1 4.14Å; L475-F550 HydrophobicContact CD2-CZ 4.32Å; A478-F550 WeakPolarHBondContact CA-O 3.24Å; A478-F550 HydrophobicContact CB-CE2 4.04Å; A478-F550 HydrophobicContact CB-CZ 4.14Å; F485-F550 HydrophobicContact CE2-CB 4.06Å; F485-F550 AromaticContact CE2-CD2 3.73Å; F485-F550 HydrophobicContact CE2-CD2 3.73Å; F485-F550 HydrophobicContact CE2-CG 4.27Å; F485-F550 HydrophobicContact CZ-CB 3.78Å; F485-F550 HydrophobicContact CZ-CD2 4.22Å; F485-F550 HydrophobicContact CZ-CG 4.31Å; I486-F550 CarbonylContact O-C 3.51Å; I486-F550 WeakPolarHBondContact O-CA 3.48Å; A487-F550 HydrophobicContact CB-CB 4.16Å; M548-F550 HydrophobicContact CE-CB 3.91Å; M548-F550 HydrophobicContact CE-CD1 3.82Å; M548-F550 HydrophobicContact CE-CG 4.2Å; F550-F552 HydrophobicContact CE2-CE2 4.42Å; F550-A588 HydrophobicContact CE2-CB 4.01Å; F550-F591 HydrophobicContact CB-CE1 4.36Å; F550-F591 HydrophobicContact CD1-CD1 4.29Å; F550-F591 HydrophobicContact CD1-CE1 4.27Å; F550-F591 AromaticContact CD2-CD1 3.91Å; F550-F591 HydrophobicContact CD2-CD1 3.91Å; F550-F591 HydrophobicContact CD2-CE1 4.27Å; F550-F591 HydrophobicContact CE1-CD1 4.34Å; F550-F591 AromaticContact CE2-CD1 3.96Å; F550-F591 HydrophobicContact CE2-CD1 3.96Å; F550-F591 HydrophobicContact CG-CD1 4.07Å; F550-F591 HydrophobicContact CG-CE1 4.02Å; F550-F591 HydrophobicContact CZ-CD1 4.18Å; F550-A592 HydrophobicContact CE1-CB 3.92Å; F550-A592 HydrophobicContact CZ-CB 3.84Å
551	H	96.2	Very high	90.5	Very high	22 Å²	22	22.9 Å²	22.9	10%	0.102	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	133	-172.1	-48.8	-88.3	0	0	0	111.7	D476 G477 M480 F485 I486 I553	D476-H551 PolarHBondContact O-CE1 2.89Å; G477-H551 PolarHBondContact O-ND1 2.91Å; M480-H551 HydrophobicContact CE-CB 3.4Å; M480-H551 VanDerWaalsContact CE-CB 3.4Å; M480-H551 WeakPolarHBondContact CE-ND1 3.42Å; F485-H551 WeakPolarHBondContact CA-O 3.43Å; I486-H551 HydrophobicContact CD1-CB 4.32Å; I486-H551 HydrophobicContact CG1-CB 3.84Å; I486-H551 PolarHBondContact N-O 3.39Å; I486-H551 PolarHBondContact O-N 3.46Å; H551-I553 HydrophobicContact CB-CG2 3.84Å
552	F	96.1	Very high	90.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.1	159.5	-69.6	-89.7	0	0	0	108.7	A478 M480 G481 R484 F485 M506 P507 I513 F550 V584 T587 A588	A478-F552 WeakPolarHBondContact O-CD2 3.39Å; A478-F552 PolarHBondContact O-N 3.44Å; M480-F552 CarbonylContact C-O 3.47Å; M480-F552 VanDerWaalsContact C-O 3.32Å; M480-F552 VanDerWaalsContact CA-O 3.29Å; M480-F552 WeakPolarHBondContact CA-O 3.35Å; M480-F552 WeakPolarHBondContact CB-O 2.87Å; M480-F552 PolarHBondContact N-O 3.04Å; G481-F552 PolarHBondContact N-O 3.26Å; G481-F552 WeakPolarHBondContact O-CB 3.48Å; R484-F552 CarbonylContact O-C 3.54Å; R484-F552 WeakPolarHBondContact O-CA 3.23Å; F485-F552 HydrophobicContact CD2-CD1 4.28Å; F485-F552 HydrophobicContact CD2-CD2 4.4Å; F485-F552 AromaticContact CD2-CE1 3.9Å; F485-F552 HydrophobicContact CD2-CE1 3.9Å; F485-F552 HydrophobicContact CD2-CE2 4.01Å; F485-F552 AromaticContact CD2-CZ 3.76Å; F485-F552 HydrophobicContact CD2-CZ 3.76Å; F485-F552 HydrophobicContact CE2-CE2 4.15Å; F485-F552 HydrophobicContact CE2-CZ 4.14Å; M506-F552 HydrophobicContact SD-CD1 4.37Å; M506-F552 HydrophobicContact SD-CE1 3.99Å; P507-F552 HydrophobicContact CG-CD1 4.42Å; P507-F552 HydrophobicContact CG-CE1 4.33Å; I513-F552 HydrophobicContact CD1-CE1 4.06Å; I513-F552 HydrophobicContact CD1-CZ 3.82Å; F550-F552 HydrophobicContact CE2-CE2 4.42Å; F552-V584 HydrophobicContact CB-CG1 4.02Å; F552-V584 HydrophobicContact CD2-CG1 4.39Å; F552-V584 HydrophobicContact CG-CG1 4.04Å; F552-T587 HydrophobicContact CE1-CG2 4.23Å; F552-T587 HydrophobicContact CZ-CG2 3.8Å; F552-A588 HydrophobicContact CD2-CB 4Å; F552-A588 HydrophobicContact CE2-CB 3.79Å
553	I	93.9	Very high	90	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	175.4	-174.3	65.8	167.3	0	0	0	111.9	M480 Q482 E483 R484 I486 H551 E558	M480-I553 HydrophobicContact CB-CG2 4.23Å; M480-I553 HydrophobicContact CE-CG2 3.88Å; Q482-I553 PolarHBondContact N-O 2.85Å; E483-I553 PolarHBondContact N-O 2.91Å; R484-I553 HydrophobicContact CB-CD1 4.22Å; R484-I553 HydrophobicContact CB-CG1 3.71Å; R484-I553 PolarHBondContact N-O 2.82Å; R484-I553 PolarHBondContact O-N 3.05Å; I486-I553 HydrophobicContact CD1-CD1 4.06Å; I486-I553 HydrophobicContact CD1-CG2 3.97Å; I486-I553 HydrophobicContact CG1-CD1 4.17Å; I486-I553 HydrophobicContact CG1-CG1 4.49Å; I486-I553 HydrophobicContact CG1-CG2 4Å; I486-I553 HydrophobicContact CG2-CD1 3.69Å; I486-I553 HydrophobicContact CG2-CG1 4.39Å; H551-I553 HydrophobicContact CB-CG2 3.84Å; I553-E558 HydrophobicContact CD1-CB 4.44Å; I553-E558 HydrophobicContact CD1-CG 4.27Å
554	Q	90.2	Very high	89.8	Confident	37 Å²	37	26.9 Å²	26.9	17%	0.173	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-88.3	149.2	172.3	-169.6	62.2	13.1	0	0	110.4	E483 N556 S557	E483-Q554 PolarHBondContact OE1-NE2 2.85Å; E483-Q554 PolarHBondContact OE2-NE2 3.16Å; Q554-N556 PolarHBondContact O-N 3.33Å; Q554-N556 VanDerWaalsContact O-N 3.16Å; Q554-S557 PolarHBondContact O-N 3.45Å
555	S	83.2	Confident	89.6	Confident	56 Å²	56	26.9 Å²	26.9	39%	0.392	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27	-176.5	-55.6	0	0	0	0	114.6	E483	E483-S555 WeakPolarHBondContact CB-OG 3.14Å; E483-S555 WeakPolarHBondContact OE2-CB 3.31Å; E483-S555 PolarHBondContact OE2-N 2.89Å; E483-S555 VanDerWaalsContact OE2-N 3.08Å; E483-S555 PolarHBondContact OE2-OG 3.18Å
556	N	72.8	Confident	89.4	Confident	152 Å²	152	29.3 Å²	29.3	81%	0.813	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.9	-170.9	-57.4	-3.1	0	0	0	113.4	Q554	Q554-N556 PolarHBondContact O-N 3.33Å; Q554-N556 VanDerWaalsContact O-N 3.16Å
557	S	75.2	Confident	89.2	Confident	34 Å²	34	31.5 Å²	31.5	24%	0.238	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-156.2	129.9	-179.9	-173.8	0	0	0	0	110.6	Q554 S559	Q554-S557 PolarHBondContact O-N 3.45Å; S557-S559 WeakPolarHBondContact CB-O 3.38Å; S557-S559 PolarHBondContact OG-N 3.31Å; S557-S559 PolarHBondContact OG-O 2.96Å; S557-S559 PolarHBondContact OG-OG 3.23Å
558	E	74.9	Confident	89	Confident	100 Å²	100	31.6 Å²	31.6	47%	0.467	18%	0.184	S	C	.	.	S	Bend	trans	-78.3	-23.7	172.2	-59.8	-164.4	173.3	0	0	112.2	R528 I553	R528-E558 IonicContact CZ-OE1 3.73Å; R528-E558 IonicContact CZ-OE2 3.06Å; R528-E558 IonicContact NE-OE1 3.44Å; R528-E558 PolarHBondContact NE-OE1 3.01Å; R528-E558 IonicContact NE-OE2 2.72Å; R528-E558 PolarHBondContact NE-OE2 2.96Å; R528-E558 IonicContact NH2-OE1 3.67Å; R528-E558 PolarHBondContact NH2-OE1 3.31Å; R528-E558 IonicContact NH2-OE2 3.67Å; I553-E558 HydrophobicContact CD1-CB 4.44Å; I553-E558 HydrophobicContact CD1-CG 4.27Å
559	S	77.9	Confident	88.9	Confident	49 Å²	49	33 Å²	33	34%	0.343	19%	0.191	S	C	.	.	S	Bend	trans	-97.9	145.9	175.4	61.7	0	0	0	0	111.8	S557	S557-S559 WeakPolarHBondContact CB-O 3.38Å; S557-S559 PolarHBondContact OG-N 3.31Å; S557-S559 PolarHBondContact OG-O 2.96Å; S557-S559 PolarHBondContact OG-OG 3.23Å
560	Y	88.1	Confident	88.8	Confident	5 Å²	5	36.2 Å²	36.2	2%	0.02	21%	0.207	C	C	.	.			trans	-87.9	118.3	166.3	175	-99.9	0	0	0	109	T408 M480 Y562 Y563 L573 R576	T408-Y560 HydrophobicContact CG2-CD1 4.24Å; T408-Y560 HydrophobicContact CG2-CE1 4.22Å; T408-Y560 VanDerWaalsContact OG1-CE1 3.31Å; T408-Y560 WeakPolarHBondContact OG1-CE1 3.21Å; T408-Y560 VanDerWaalsContact OG1-CZ 3.26Å; T408-Y560 PolarHBondContact OG1-OH 2.99Å; M480-Y560 HydrophobicContact CB-CD2 4.33Å; M480-Y560 HydrophobicContact CB-CG 4.37Å; M480-Y560 HydrophobicContact CG-CG 4.17Å; M480-Y560 WeakPolarHBondContact O-CD2 3.47Å; M480-Y560 WeakPolarHBondContact SD-CB 3.28Å; Y560-Y562 HydrophobicContact CD1-CD2 4.34Å; Y560-Y562 HydrophobicContact CD2-CD2 4.43Å; Y560-Y562 AromaticContact CE1-CD2 3.76Å; Y560-Y562 HydrophobicContact CE1-CD2 3.76Å; Y560-Y562 HydrophobicContact CE1-CG 4.17Å; Y560-Y562 AromaticContact CE2-CD2 3.86Å; Y560-Y562 HydrophobicContact CE2-CD2 3.86Å; Y560-Y562 HydrophobicContact CE2-CE2 4.43Å; Y560-Y562 AromaticContact CZ-CD2 3.48Å; Y560-Y562 VanDerWaalsContact CZ-CD2 3.48Å; Y560-Y562 PolarHBondContact O-N 3.44Å; Y560-Y562 VanDerWaalsContact O-N 3.14Å; Y560-Y563 AromaticContact CD1-CD2 3.6Å; Y560-Y563 HydrophobicContact CD1-CD2 3.6Å; Y560-Y563 HydrophobicContact CD1-CE2 4.07Å; Y560-Y563 HydrophobicContact CG-CD2 4.11Å; Y560-Y563 HydrophobicContact CG-CE2 4.45Å; Y560-Y563 WeakPolarHBondContact O-CB 3.27Å; Y560-Y563 PolarHBondContact O-N 3.02Å; Y560-Y563 VanDerWaalsContact O-N 3.14Å; Y560-L573 HydrophobicContact CE2-CD1 3.96Å; Y560-L573 PolarHBondContact OH-N 3.35Å; Y560-R576 HydrophobicContact CD2-CG 4.43Å; Y560-R576 HydrophobicContact CE2-CG 3.95Å
561	P	88	Confident	88.7	Confident	7 Å²	7	41.3 Å²	41.3	5%	0.045	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.4	-162.7	27.1	-35.9	0	0	0	113.6	Y276 L278 Y563 R576	Y276-P561 HydrophobicContact CD1-CB 3.8Å; L278-P561 HydrophobicContact CD1-CB 4.24Å; L278-P561 WeakPolarHBondContact CD1-O 3.48Å; L278-P561 HydrophobicContact CD2-CB 4.03Å; L278-P561 HydrophobicContact CD2-CG 4.36Å; L278-P561 HydrophobicContact CG-CB 4.19Å; P561-Y563 VanDerWaalsContact C-N 3.31Å; P561-R576 VanDerWaalsContact CG-NH2 3.32Å
562	Y	91.3	Very high	88.6	Confident	22 Å²	22	42.7 Å²	42.7	9%	0.086	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.4	-179.3	-44.9	-80	0	0	0	113	L278 Y560 G564 T565 L567 H572	L278-Y562 HydrophobicContact CD2-CD1 3.41Å; L278-Y562 VanDerWaalsContact CD2-CD1 3.41Å; L278-Y562 HydrophobicContact CD2-CE1 3.15Å; L278-Y562 HydrophobicContact CD2-CG 4.35Å; Y560-Y562 HydrophobicContact CD1-CD2 4.34Å; Y560-Y562 HydrophobicContact CD2-CD2 4.43Å; Y560-Y562 AromaticContact CE1-CD2 3.76Å; Y560-Y562 HydrophobicContact CE1-CD2 3.76Å; Y560-Y562 HydrophobicContact CE1-CG 4.17Å; Y560-Y562 AromaticContact CE2-CD2 3.86Å; Y560-Y562 HydrophobicContact CE2-CD2 3.86Å; Y560-Y562 HydrophobicContact CE2-CE2 4.43Å; Y560-Y562 AromaticContact CZ-CD2 3.48Å; Y560-Y562 VanDerWaalsContact CZ-CD2 3.48Å; Y560-Y562 PolarHBondContact O-N 3.44Å; Y560-Y562 VanDerWaalsContact O-N 3.14Å; Y562-G564 PolarHBondContact O-N 3.36Å; Y562-T565 WeakPolarHBondContact CA-OG1 3.25Å; Y562-T565 PolarHBondContact O-N 3.48Å; Y562-T565 VanDerWaalsContact O-N 3.16Å; Y562-T565 PolarHBondContact O-OG1 3.22Å; Y562-L567 HydrophobicContact CD1-CB 3.56Å; Y562-L567 HydrophobicContact CD1-CD1 4.14Å; Y562-L567 HydrophobicContact CE1-CB 4.31Å; Y562-L567 HydrophobicContact CE1-CD1 4.34Å; Y562-L567 HydrophobicContact CG-CB 4.31Å; Y562-H572 HydrophobicContact CD2-CB 3.83Å; Y562-H572 HydrophobicContact CE1-CB 4.43Å; Y562-H572 AromaticContact CE1-CD2 3.45Å; Y562-H572 VanDerWaalsContact CE1-CD2 3.45Å; Y562-H572 WeakPolarHBondContact CE1-CD2 3.38Å; Y562-H572 AromaticContact CE1-CG 3.79Å; Y562-H572 AromaticContact CE1-NE2 3.63Å; Y562-H572 HydrophobicContact CE2-CB 3.65Å; Y562-H572 AromaticContact CE2-CD2 3.84Å; Y562-H572 AromaticContact CE2-CG 3.87Å; Y562-H572 HydrophobicContact CG-CB 4.3Å; Y562-H572 AromaticContact CZ-CD2 3.22Å; Y562-H572 AromaticContact CZ-CG 3.65Å; Y562-H572 AromaticContact CZ-NE2 3.86Å; Y562-H572 PolarHBondContact OH-CD2 3.31Å; Y562-H572 VanDerWaalsContact OH-CD2 3.22Å
563	Y	87.6	Confident	88.6	Confident	58 Å²	58	42.7 Å²	42.7	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	134.6	174	-107.2	-96.8	0	0	0	111.3	T408 K409 G477 M480 Y560 P561 T565	T408-Y563 HydrophobicContact CG2-CE2 3.95Å; K409-Y563 HydrophobicContact CD-CD1 3.73Å; K409-Y563 HydrophobicContact CD-CE1 3.23Å; K409-Y563 HydrophobicContact CG-CE1 4.45Å; G477-Y563 WeakPolarHBondContact CA-OH 3.42Å; G477-Y563 PolarHBondContact N-OH 3.24Å; M480-Y563 HydrophobicContact CG-CE2 3.88Å; M480-Y563 HydrophobicContact SD-CD2 4.03Å; M480-Y563 HydrophobicContact SD-CE2 3.44Å; M480-Y563 WeakPolarHBondContact SD-CE2 3.27Å; Y560-Y563 AromaticContact CD1-CD2 3.6Å; Y560-Y563 HydrophobicContact CD1-CD2 3.6Å; Y560-Y563 HydrophobicContact CD1-CE2 4.07Å; Y560-Y563 HydrophobicContact CG-CD2 4.11Å; Y560-Y563 HydrophobicContact CG-CE2 4.45Å; Y560-Y563 WeakPolarHBondContact O-CB 3.27Å; Y560-Y563 PolarHBondContact O-N 3.02Å; Y560-Y563 VanDerWaalsContact O-N 3.14Å; P561-Y563 VanDerWaalsContact C-N 3.31Å; Y563-T565 PolarHBondContact O-N 2.96Å
564	G	88.8	Confident	88.6	Confident	12 Å²	12	43.8 Å²	43.8	12%	0.124	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	24.1	179	0	0	0	0	0	113.3	Y285 Y562	Y285-G564 WeakPolarHBondContact CD2-O 3.5Å; Y285-G564 PolarHBondContact N-O 3.12Å; Y562-G564 PolarHBondContact O-N 3.36Å
565	T	93.3	Very high	88.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.012	27%	0.27	C	S	.	.	S	Bend	trans	-128.3	158.6	176.3	77.4	0	0	0	0	110.8	L271 T282 E283 L284 Y562 Y563 L567 D568	L271-T565 HydrophobicContact CD1-CG2 4.29Å; T282-T565 HydrophobicContact CG2-CG2 3.76Å; E283-T565 WeakPolarHBondContact O-CB 3.33Å; E283-T565 WeakPolarHBondContact O-CG2 3.5Å; L284-T565 HydrophobicContact CD1-CG2 4.47Å; Y562-T565 WeakPolarHBondContact CA-OG1 3.25Å; Y562-T565 PolarHBondContact O-N 3.48Å; Y562-T565 VanDerWaalsContact O-N 3.16Å; Y562-T565 PolarHBondContact O-OG1 3.22Å; Y563-T565 PolarHBondContact O-N 2.96Å; T565-L567 PolarHBondContact O-N 3.3Å; T565-L567 PolarHBondContact OG1-N 3.3Å; T565-D568 PolarHBondContact O-N 3.22Å
566	G	91.4	Very high	89.1	Confident	51 Å²	51	50 Å²	50	53%	0.526	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.3	172.4	0	0	0	0	0	114.5
567	L	93.8	Very high	90.1	Very high	50 Å²	50	42.8 Å²	42.8	26%	0.262	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.8	179.7	-60	-178.1	0	0	0	113.3	T282 Y562 T565 N569 H572	T282-L567 HydrophobicContact CG2-CD1 3.77Å; T282-L567 HydrophobicContact CG2-CG 4.19Å; Y562-L567 HydrophobicContact CD1-CB 3.56Å; Y562-L567 HydrophobicContact CD1-CD1 4.14Å; Y562-L567 HydrophobicContact CE1-CB 4.31Å; Y562-L567 HydrophobicContact CE1-CD1 4.34Å; Y562-L567 HydrophobicContact CG-CB 4.31Å; T565-L567 PolarHBondContact O-N 3.3Å; T565-L567 PolarHBondContact OG1-N 3.3Å; L567-N569 VanDerWaalsContact C-N 3.28Å; L567-N569 PolarHBondContact O-N 3.41Å; L567-N569 PolarHBondContact O-ND2 3.48Å; L567-H572 PolarHBondContact O-ND1 2.96Å
568	D	95.1	Very high	90.9	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.228	C	C	.	.			trans	-70	83.7	173.4	-174.1	16.9	0	0	0	111.5	G406 Y407 T408 K409 T565	G406-D568 VanDerWaalsContact C-OD2 3.25Å; G406-D568 VanDerWaalsContact CA-OD2 3.31Å; G406-D568 WeakPolarHBondContact CA-OD2 3.47Å; Y407-D568 PolarHBondContact N-O 3.24Å; Y407-D568 VanDerWaalsContact N-O 3.11Å; Y407-D568 PolarHBondContact N-OD2 3.31Å; Y407-D568 VanDerWaalsContact N-OD2 3.12Å; T408-D568 WeakPolarHBondContact CB-OD1 3.48Å; T408-D568 VanDerWaalsContact N-CG 3.35Å; T408-D568 PolarHBondContact N-OD1 2.9Å; T408-D568 PolarHBondContact N-OD2 3.46Å; T408-D568 VanDerWaalsContact N-OD2 3.1Å; T408-D568 PolarHBondContact OG1-OD1 3.39Å; K409-D568 WeakPolarHBondContact CB-OD2 3.19Å; K409-D568 PolarHBondContact N-OD2 3.11Å; T565-D568 PolarHBondContact O-N 3.22Å
569	N	94.7	Very high	91.9	Very high	29 Å²	29	45.3 Å²	45.3	16%	0.155	24%	0.236	C	C	.	.	S	Bend	trans	-132.1	168.7	-176.2	68.1	47.5	0	0	0	112.1	L567 D571 H572 L573	L567-N569 VanDerWaalsContact C-N 3.28Å; L567-N569 PolarHBondContact O-N 3.41Å; L567-N569 PolarHBondContact O-ND2 3.48Å; N569-D571 VanDerWaalsContact C-N 3.3Å; N569-D571 PolarHBondContact O-N 3.44Å; N569-D571 PolarHBondContact OD1-N 3.17Å; N569-D571 VanDerWaalsContact OD1-N 3.08Å; N569-H572 PolarHBondContact ND2-ND1 3.42Å; N569-H572 VanDerWaalsContact ND2-ND1 3.13Å; N569-H572 PolarHBondContact O-N 3.1Å; N569-H572 PolarHBondContact OD1-N 2.68Å; N569-H572 PolarHBondContact OD1-ND1 3.09Å; N569-L573 PolarHBondContact O-N 3.45Å
570	M	95.1	Very high	92.6	Very high	67 Å²	67	48.8 Å²	48.8	33%	0.33	24%	0.242	S	C	.	.	H	α-helix	trans	-56.3	-41	-178.3	-176.9	-175	68	0	0	112.9	Y407 L573 N574	Y407-M570 HydrophobicContact CD1-CB 4.31Å; Y407-M570 HydrophobicContact CD2-CB 4.03Å; Y407-M570 HydrophobicContact CE1-CB 4.04Å; Y407-M570 HydrophobicContact CE1-CG 4.08Å; Y407-M570 HydrophobicContact CE2-CB 3.75Å; Y407-M570 HydrophobicContact CE2-CG 4.1Å; Y407-M570 HydrophobicContact CG-CB 4.3Å; M570-L573 PolarHBondContact O-N 3.06Å; M570-N574 WeakPolarHBondContact CG-ND2 3.26Å; M570-N574 VanDerWaalsContact O-CB 3.22Å; M570-N574 WeakPolarHBondContact O-CB 3.39Å; M570-N574 VanDerWaalsContact O-CG 3.31Å; M570-N574 PolarHBondContact O-N 3.11Å; M570-N574 PolarHBondContact O-ND2 2.72Å
571	D	94.9	Very high	93	Very high	109 Å²	109	48.7 Å²	48.7	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-68.2	-41.5	-174.1	-63.5	-31.1	0	0	0	111.7	N569 N574 Y575	N569-D571 VanDerWaalsContact C-N 3.3Å; N569-D571 PolarHBondContact O-N 3.44Å; N569-D571 PolarHBondContact OD1-N 3.17Å; N569-D571 VanDerWaalsContact OD1-N 3.08Å; D571-N574 PolarHBondContact O-N 2.96Å; D571-Y575 WeakPolarHBondContact O-CB 3.39Å; D571-Y575 PolarHBondContact O-N 3.44Å
572	H	94.4	Very high	93.4	Very high	51 Å²	51	49.4 Å²	49.4	24%	0.236	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-41.6	175.8	-73.5	120.5	0	0	0	112.5	Y562 L567 N569 Y575 R576	Y562-H572 HydrophobicContact CD2-CB 3.83Å; Y562-H572 HydrophobicContact CE1-CB 4.43Å; Y562-H572 AromaticContact CE1-CD2 3.45Å; Y562-H572 VanDerWaalsContact CE1-CD2 3.45Å; Y562-H572 WeakPolarHBondContact CE1-CD2 3.38Å; Y562-H572 AromaticContact CE1-CG 3.79Å; Y562-H572 AromaticContact CE1-NE2 3.63Å; Y562-H572 HydrophobicContact CE2-CB 3.65Å; Y562-H572 AromaticContact CE2-CD2 3.84Å; Y562-H572 AromaticContact CE2-CG 3.87Å; Y562-H572 HydrophobicContact CG-CB 4.3Å; Y562-H572 AromaticContact CZ-CD2 3.22Å; Y562-H572 AromaticContact CZ-CG 3.65Å; Y562-H572 AromaticContact CZ-NE2 3.86Å; Y562-H572 PolarHBondContact OH-CD2 3.31Å; Y562-H572 VanDerWaalsContact OH-CD2 3.22Å; L567-H572 PolarHBondContact O-ND1 2.96Å; N569-H572 PolarHBondContact ND2-ND1 3.42Å; N569-H572 VanDerWaalsContact ND2-ND1 3.13Å; N569-H572 PolarHBondContact O-N 3.1Å; N569-H572 PolarHBondContact OD1-N 2.68Å; N569-H572 PolarHBondContact OD1-ND1 3.09Å; H572-Y575 PolarHBondContact O-N 2.86Å; H572-R576 WeakPolarHBondContact O-CG 3.4Å; H572-R576 PolarHBondContact O-N 3.47Å; H572-R576 VanDerWaalsContact O-N 3.14Å
573	L	95.1	Very high	93.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.1	-38.9	175.2	-172.8	60.1	0	0	0	112	Y407 V412 V479 Y560 N569 M570 Y575 R576 T577 T581	Y407-L573 HydrophobicContact CD1-CB 4.15Å; Y407-L573 HydrophobicContact CD1-CD2 3.79Å; Y407-L573 HydrophobicContact CE1-CB 4.45Å; Y407-L573 HydrophobicContact CE1-CD2 3.88Å; V412-L573 HydrophobicContact CG2-CD2 3.64Å; V479-L573 HydrophobicContact CG1-CD1 4.38Å; V479-L573 WeakPolarHBondContact O-CD1 3.4Å; Y560-L573 HydrophobicContact CE2-CD1 3.96Å; Y560-L573 PolarHBondContact OH-N 3.35Å; N569-L573 PolarHBondContact O-N 3.45Å; M570-L573 PolarHBondContact O-N 3.06Å; L573-Y575 VanDerWaalsContact C-N 3.31Å; L573-Y575 PolarHBondContact O-N 3.38Å; L573-R576 PolarHBondContact O-N 3.46Å; L573-T577 HydrophobicContact CD1-CG2 4.14Å; L573-T577 HydrophobicContact CG-CG2 4.35Å; L573-T577 WeakPolarHBondContact O-CB 3.34Å; L573-T577 WeakPolarHBondContact O-CG2 3.33Å; L573-T577 PolarHBondContact O-N 3.19Å; L573-T577 PolarHBondContact O-OG1 2.8Å; L573-T581 HydrophobicContact CD2-CG2 3.75Å; L573-T581 HydrophobicContact CG-CG2 4.14Å
574	N	95.1	Very high	94.1	Very high	26 Å²	26	48.9 Å²	48.9	14%	0.139	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-43	173.2	-86.3	-26	0	0	0	111.1	M570 D571 R576 T577 S578 Q579 T581	M570-N574 WeakPolarHBondContact CG-ND2 3.26Å; M570-N574 VanDerWaalsContact O-CB 3.22Å; M570-N574 WeakPolarHBondContact O-CB 3.39Å; M570-N574 VanDerWaalsContact O-CG 3.31Å; M570-N574 PolarHBondContact O-N 3.11Å; M570-N574 PolarHBondContact O-ND2 2.72Å; D571-N574 PolarHBondContact O-N 2.96Å; N574-R576 PolarHBondContact O-N 2.9Å; N574-T577 WeakPolarHBondContact CA-OG1 3.41Å; N574-T577 CarbonylContact O-C 3.52Å; N574-T577 PolarHBondContact O-N 3.18Å; N574-T577 PolarHBondContact O-OG1 3.39Å; N574-S578 PolarHBondContact O-N 3.03Å; N574-Q579 PolarHBondContact O-N 3.15Å; N574-T581 WeakPolarHBondContact OD1-CB 3.25Å; N574-T581 PolarHBondContact OD1-OG1 3.34Å
575	Y	93.4	Very high	94.5	Very high	169 Å²	169	48.3 Å²	48.3	66%	0.663	24%	0.244	S	C	*	.	H	α-helix	trans	-58.8	-49.2	174.6	177.6	-102.1	0	0	0	111.8	D571 H572 L573 T577 S578	D571-Y575 WeakPolarHBondContact O-CB 3.39Å; D571-Y575 PolarHBondContact O-N 3.44Å; H572-Y575 PolarHBondContact O-N 2.86Å; L573-Y575 VanDerWaalsContact C-N 3.31Å; L573-Y575 PolarHBondContact O-N 3.38Å; Y575-T577 VanDerWaalsContact C-N 3.3Å; Y575-T577 PolarHBondContact O-N 3.4Å; Y575-S578 PolarHBondContact O-N 2.82Å
576	R	91.1	Very high	94.7	Very high	54 Å²	54	48.4 Å²	48.4	20%	0.204	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-34.7	179.6	-69	-72.1	-179.6	170.1	-3.9	113.5	Q482 Y560 P561 H572 L573 N574 S578	Q482-R576 PolarHBondContact NE2-O 2.99Å; Y560-R576 HydrophobicContact CD2-CG 4.43Å; Y560-R576 HydrophobicContact CE2-CG 3.95Å; P561-R576 VanDerWaalsContact CG-NH2 3.32Å; H572-R576 WeakPolarHBondContact O-CG 3.4Å; H572-R576 PolarHBondContact O-N 3.47Å; H572-R576 VanDerWaalsContact O-N 3.14Å; L573-R576 PolarHBondContact O-N 3.46Å; N574-R576 PolarHBondContact O-N 2.9Å; R576-S578 VanDerWaalsContact C-N 3.32Å
577	T	92.7	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	8.6	177.7	59.7	0	0	0	0	112.8	V479 Q482 L573 N574 Y575 Q579 R580 T581 V584	V479-T577 HydrophobicContact CG1-CG2 3.88Å; Q482-T577 PolarHBondContact NE2-O 2.91Å; Q482-T577 PolarHBondContact OE1-O 2.76Å; L573-T577 HydrophobicContact CD1-CG2 4.14Å; L573-T577 HydrophobicContact CG-CG2 4.35Å; L573-T577 WeakPolarHBondContact O-CB 3.34Å; L573-T577 WeakPolarHBondContact O-CG2 3.33Å; L573-T577 PolarHBondContact O-N 3.19Å; L573-T577 PolarHBondContact O-OG1 2.8Å; N574-T577 WeakPolarHBondContact CA-OG1 3.41Å; N574-T577 CarbonylContact O-C 3.52Å; N574-T577 PolarHBondContact O-N 3.18Å; N574-T577 PolarHBondContact O-OG1 3.39Å; Y575-T577 VanDerWaalsContact C-N 3.3Å; Y575-T577 PolarHBondContact O-N 3.4Å; T577-Q579 VanDerWaalsContact C-N 3.29Å; T577-Q579 PolarHBondContact O-N 3.3Å; T577-R580 WeakPolarHBondContact O-CB 3.43Å; T577-R580 PolarHBondContact O-N 3.12Å; T577-R580 VanDerWaalsContact O-N 3.08Å; T577-T581 WeakPolarHBondContact OG1-CA 3.33Å; T577-T581 PolarHBondContact OG1-N 2.82Å; T577-T581 PolarHBondContact OG1-OG1 3.44Å; T577-V584 HydrophobicContact CG2-CG2 4.27Å
578	S	93.3	Very high	95.2	Very high	51 Å²	51	44.2 Å²	44.2	36%	0.357	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	49.4	-176.8	-52.9	0	0	0	0	113.3	Q482 R508 N574 Y575 R576 R580	Q482-S578 PolarHBondContact NE2-OG 3.03Å; R508-S578 PolarHBondContact NH2-OG 2.83Å; N574-S578 PolarHBondContact O-N 3.03Å; Y575-S578 PolarHBondContact O-N 2.82Å; R576-S578 VanDerWaalsContact C-N 3.32Å; S578-R580 VanDerWaalsContact C-N 3.25Å; S578-R580 PolarHBondContact O-N 3.43Å
579	Q	94.1	Very high	95.4	Very high	136 Å²	136	44 Å²	44	64%	0.636	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	22.6	179.5	-52.4	-63	-29	0	0	114.2	N574 T577	N574-Q579 PolarHBondContact O-N 3.15Å; T577-Q579 VanDerWaalsContact C-N 3.29Å; T577-Q579 PolarHBondContact O-N 3.3Å
580	R	94.1	Very high	95.5	Very high	122 Å²	122	46.5 Å²	46.5	46%	0.46	22%	0.217	S	C	.	.			trans	-118.5	27.6	-179.5	-62.1	-176.3	177.7	-168.5	-1.2	113.3	T577 S578 S582 N583 V584	T577-R580 WeakPolarHBondContact O-CB 3.43Å; T577-R580 PolarHBondContact O-N 3.12Å; T577-R580 VanDerWaalsContact O-N 3.08Å; S578-R580 VanDerWaalsContact C-N 3.25Å; S578-R580 PolarHBondContact O-N 3.43Å; R580-S582 VanDerWaalsContact C-N 3.26Å; R580-S582 PolarHBondContact O-N 3.5Å; R580-N583 HydrophobicContact CB-CB 4.28Å; R580-N583 PolarHBondContact O-N 2.83Å; R580-V584 WeakPolarHBondContact O-CG2 3.44Å; R580-V584 PolarHBondContact O-N 3.49Å
581	T	96.1	Very high	95.7	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-51.7	-45.3	-177.6	-67.5	0	0	0	0	111.9	L140 Y407 L573 N574 T577 N583 V584 T585	L140-T581 HydrophobicContact CD1-CG2 4.03Å; Y407-T581 HydrophobicContact CE1-CG2 4.38Å; L573-T581 HydrophobicContact CD2-CG2 3.75Å; L573-T581 HydrophobicContact CG-CG2 4.14Å; N574-T581 WeakPolarHBondContact OD1-CB 3.25Å; N574-T581 PolarHBondContact OD1-OG1 3.34Å; T577-T581 WeakPolarHBondContact OG1-CA 3.33Å; T577-T581 PolarHBondContact OG1-N 2.82Å; T577-T581 PolarHBondContact OG1-OG1 3.44Å; T581-N583 PolarHBondContact O-N 3.25Å; T581-V584 PolarHBondContact O-N 3.49Å; T581-T585 WeakPolarHBondContact O-CB 3.28Å; T581-T585 PolarHBondContact O-N 3.11Å; T581-T585 PolarHBondContact O-OG1 2.52Å
582	S	96.5	Very high	95.9	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-38.4	178.3	50.3	0	0	0	0	113.6	S133 R580 A586	S133-S582 WeakPolarHBondContact O-CB 3.45Å; R580-S582 VanDerWaalsContact C-N 3.26Å; R580-S582 PolarHBondContact O-N 3.5Å; S582-A586 WeakPolarHBondContact O-CB 3.46Å; S582-A586 PolarHBondContact O-N 2.77Å
583	N	95.9	Very high	96	Very high	69 Å²	69	35.7 Å²	35.7	37%	0.369	16%	0.163	S	C	.	.	H	α-helix	trans	-70.4	-43.6	178.7	-62.1	80.7	0	0	0	111.5	R580 T581 T585 A586 T587	R580-N583 HydrophobicContact CB-CB 4.28Å; R580-N583 PolarHBondContact O-N 2.83Å; T581-N583 PolarHBondContact O-N 3.25Å; N583-T585 VanDerWaalsContact C-N 3.31Å; N583-A586 WeakPolarHBondContact O-CB 3.5Å; N583-A586 PolarHBondContact O-N 3.49Å; N583-T587 PolarHBondContact O-N 3.16Å; N583-T587 PolarHBondContact O-OG1 2.9Å
584	V	96.9	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-39.8	176.9	-174.7	0	0	0	0	110.4	V479 Q482 P507 F552 T577 R580 T581 A586 T587 A588	V479-V584 HydrophobicContact CB-CG1 4.38Å; V479-V584 HydrophobicContact CG1-CB 3.94Å; V479-V584 HydrophobicContact CG1-CG1 3.54Å; V479-V584 HydrophobicContact CG2-CG1 4Å; Q482-V584 HydrophobicContact CB-CG2 3.81Å; P507-V584 HydrophobicContact CB-CG2 3.85Å; P507-V584 HydrophobicContact CG-CB 4.29Å; P507-V584 HydrophobicContact CG-CG1 4.03Å; P507-V584 HydrophobicContact CG-CG2 4.01Å; F552-V584 HydrophobicContact CB-CG1 4.02Å; F552-V584 HydrophobicContact CD2-CG1 4.39Å; F552-V584 HydrophobicContact CG-CG1 4.04Å; T577-V584 HydrophobicContact CG2-CG2 4.27Å; R580-V584 WeakPolarHBondContact O-CG2 3.44Å; R580-V584 PolarHBondContact O-N 3.49Å; T581-V584 PolarHBondContact O-N 3.49Å; V584-A586 VanDerWaalsContact C-N 3.34Å; V584-A586 PolarHBondContact O-N 2.49Å; V584-T587 WeakPolarHBondContact O-CB 3.35Å; V584-T587 PolarHBondContact O-N 3.34Å; V584-T587 VanDerWaalsContact O-N 3.16Å; V584-A588 PolarHBondContact O-N 3.4Å
585	T	97.8	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-41.4	174.6	-52.2	0	0	0	0	111.4	F136 V412 V416 T581 N583 T587 A588 A589	F136-T585 HydrophobicContact CD1-CG2 3.4Å; F136-T585 VanDerWaalsContact CD1-CG2 3.4Å; F136-T585 HydrophobicContact CE1-CG2 3.69Å; F136-T585 HydrophobicContact CG-CG2 4.03Å; V412-T585 HydrophobicContact CG1-CG2 4.09Å; V416-T585 HydrophobicContact CG2-CG2 3.52Å; T581-T585 WeakPolarHBondContact O-CB 3.28Å; T581-T585 PolarHBondContact O-N 3.11Å; T581-T585 PolarHBondContact O-OG1 2.52Å; N583-T585 VanDerWaalsContact C-N 3.31Å; T585-T587 VanDerWaalsContact C-N 3.35Å; T585-T587 PolarHBondContact O-N 3.29Å; T585-A588 PolarHBondContact O-N 3.22Å; T585-A589 WeakPolarHBondContact O-CB 3.48Å; T585-A589 PolarHBondContact O-N 3.21Å
586	A	97.5	Very high	96.6	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.033	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-40.1	173.5	0	0	0	0	0	112.3	F136 S582 N583 V584 A589 R590	F136-A586 HydrophobicContact CD2-CB 3.64Å; F136-A586 HydrophobicContact CE2-CB 3.99Å; S582-A586 WeakPolarHBondContact O-CB 3.46Å; S582-A586 PolarHBondContact O-N 2.77Å; N583-A586 WeakPolarHBondContact O-CB 3.5Å; N583-A586 PolarHBondContact O-N 3.49Å; V584-A586 VanDerWaalsContact C-N 3.34Å; V584-A586 PolarHBondContact O-N 2.49Å; A586-A589 PolarHBondContact O-N 3.28Å; A586-R590 WeakPolarHBondContact O-CB 3.23Å; A586-R590 VanDerWaalsContact O-CG 3.24Å; A586-R590 WeakPolarHBondContact O-CG 3.42Å; A586-R590 PolarHBondContact O-N 3.22Å
587	T	97.6	Very high	96.8	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.08	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-42.3	174.4	-60.3	0	0	0	0	111.9	V504 N505 P507 F552 N583 V584 T585 R590 F591	V504-T587 HydrophobicContact CG1-CG2 3.63Å; N505-T587 WeakPolarHBondContact O-CG2 3.45Å; P507-T587 HydrophobicContact CG-CG2 4.08Å; F552-T587 HydrophobicContact CE1-CG2 4.23Å; F552-T587 HydrophobicContact CZ-CG2 3.8Å; N583-T587 PolarHBondContact O-N 3.16Å; N583-T587 PolarHBondContact O-OG1 2.9Å; V584-T587 WeakPolarHBondContact O-CB 3.35Å; V584-T587 PolarHBondContact O-N 3.34Å; V584-T587 VanDerWaalsContact O-N 3.16Å; T585-T587 VanDerWaalsContact C-N 3.35Å; T585-T587 PolarHBondContact O-N 3.29Å; T587-R590 PolarHBondContact O-N 3.38Å; T587-F591 PolarHBondContact O-N 2.81Å
588	A	98.1	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-44.1	175.1	0	0	0	0	0	112.1	A478 V479 F550 F552 V584 T585 F591 A592	A478-A588 HydrophobicContact CB-CB 4.19Å; V479-A588 HydrophobicContact CG2-CB 3.99Å; F550-A588 HydrophobicContact CE2-CB 4.01Å; F552-A588 HydrophobicContact CD2-CB 4Å; F552-A588 HydrophobicContact CE2-CB 3.79Å; V584-A588 PolarHBondContact O-N 3.4Å; T585-A588 PolarHBondContact O-N 3.22Å; A588-F591 PolarHBondContact O-N 2.99Å; A588-A592 PolarHBondContact O-N 3.27Å
589	A	98.4	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-42.1	174.1	0	0	0	0	0	112.2	L131 F136 V416 L420 T585 A586 F591 A592 G593	L131-A589 HydrophobicContact CD1-CB 4.19Å; L131-A589 HydrophobicContact CD2-CB 4.31Å; F136-A589 HydrophobicContact CE1-CB 4.31Å; F136-A589 HydrophobicContact CE2-CB 3.78Å; F136-A589 HydrophobicContact CZ-CB 3.32Å; V416-A589 HydrophobicContact CG1-CB 3.84Å; V416-A589 HydrophobicContact CG2-CB 4.39Å; L420-A589 HydrophobicContact CD2-CB 4.49Å; L420-A589 HydrophobicContact CG-CB 4.39Å; T585-A589 WeakPolarHBondContact O-CB 3.48Å; T585-A589 PolarHBondContact O-N 3.21Å; A586-A589 PolarHBondContact O-N 3.28Å; A589-F591 VanDerWaalsContact C-N 3.33Å; A589-F591 PolarHBondContact O-N 3.43Å; A589-A592 PolarHBondContact O-N 3.4Å; A589-G593 WeakPolarHBondContact O-CA 3.42Å; A589-G593 PolarHBondContact O-N 2.96Å
590	R	97.9	Very high	97.4	Very high	81 Å²	81	17.9 Å²	17.9	31%	0.306	8%	0.079	S	C	.	.	H	α-helix	trans	-60.8	-43	175.7	-74.2	168.9	-175.1	-179.1	0.5	111.7	L131 A586 T587 L594	L131-R590 HydrophobicContact CB-CG 4.03Å; L131-R590 HydrophobicContact CD1-CB 4.41Å; L131-R590 HydrophobicContact CD1-CG 3.78Å; L131-R590 PolarHBondContact O-NE 3.11Å; L131-R590 PolarHBondContact O-NH2 2.78Å; A586-R590 WeakPolarHBondContact O-CB 3.23Å; A586-R590 VanDerWaalsContact O-CG 3.24Å; A586-R590 WeakPolarHBondContact O-CG 3.42Å; A586-R590 PolarHBondContact O-N 3.22Å; T587-R590 PolarHBondContact O-N 3.38Å; R590-L594 WeakPolarHBondContact O-CB 3.45Å; R590-L594 VanDerWaalsContact O-CG 3.27Å; R590-L594 WeakPolarHBondContact O-CG 3.35Å; R590-L594 PolarHBondContact O-N 3.19Å
591	F	98.4	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.2	-56.3	176.3	180	-92	0	0	0	111.6	F485 I497 T500 M501 V504 I513 M548 F550 T587 A588 A589 G593 L594 M595	F485-F591 HydrophobicContact CE1-CE2 4.43Å; F485-F591 HydrophobicContact CE1-CZ 4.16Å; F485-F591 HydrophobicContact CE2-CD1 4.2Å; F485-F591 HydrophobicContact CE2-CD2 4.43Å; F485-F591 HydrophobicContact CE2-CE1 4.17Å; F485-F591 HydrophobicContact CE2-CE2 4.39Å; F485-F591 HydrophobicContact CE2-CG 4.35Å; F485-F591 HydrophobicContact CE2-CZ 4.27Å; F485-F591 HydrophobicContact CZ-CD1 4.1Å; F485-F591 HydrophobicContact CZ-CD2 4.3Å; F485-F591 AromaticContact CZ-CE1 3.6Å; F485-F591 HydrophobicContact CZ-CE1 3.6Å; F485-F591 AromaticContact CZ-CE2 3.83Å; F485-F591 HydrophobicContact CZ-CE2 3.83Å; F485-F591 HydrophobicContact CZ-CG 4.44Å; F485-F591 AromaticContact CZ-CZ 3.46Å; F485-F591 HydrophobicContact CZ-CZ 3.46Å; F485-F591 VanDerWaalsContact CZ-CZ 3.46Å; I497-F591 HydrophobicContact CG2-CZ 4.32Å; T500-F591 HydrophobicContact CG2-CD2 3.52Å; T500-F591 HydrophobicContact CG2-CE2 3.63Å; T500-F591 HydrophobicContact CG2-CG 4.2Å; T500-F591 HydrophobicContact CG2-CZ 4.39Å; M501-F591 HydrophobicContact CG-CE2 3.76Å; M501-F591 HydrophobicContact CG-CZ 4.49Å; V504-F591 HydrophobicContact CG2-CB 4.4Å; V504-F591 HydrophobicContact CG2-CD2 4.42Å; I513-F591 HydrophobicContact CD1-CD2 4.23Å; M548-F591 HydrophobicContact CE-CE1 3.86Å; M548-F591 HydrophobicContact CE-CZ 4.47Å; F550-F591 HydrophobicContact CB-CE1 4.36Å; F550-F591 HydrophobicContact CD1-CD1 4.29Å; F550-F591 HydrophobicContact CD1-CE1 4.27Å; F550-F591 AromaticContact CD2-CD1 3.91Å; F550-F591 HydrophobicContact CD2-CD1 3.91Å; F550-F591 HydrophobicContact CD2-CE1 4.27Å; F550-F591 HydrophobicContact CE1-CD1 4.34Å; F550-F591 AromaticContact CE2-CD1 3.96Å; F550-F591 HydrophobicContact CE2-CD1 3.96Å; F550-F591 HydrophobicContact CG-CD1 4.07Å; F550-F591 HydrophobicContact CG-CE1 4.02Å; F550-F591 HydrophobicContact CZ-CD1 4.18Å; T587-F591 PolarHBondContact O-N 2.81Å; A588-F591 PolarHBondContact O-N 2.99Å; A589-F591 VanDerWaalsContact C-N 3.33Å; A589-F591 PolarHBondContact O-N 3.43Å; F591-G593 VanDerWaalsContact C-N 3.33Å; F591-G593 PolarHBondContact O-N 3.43Å; F591-L594 PolarHBondContact O-N 2.81Å; F591-M595 HydrophobicContact CD1-SD 4.23Å; F591-M595 HydrophobicContact CE1-CG 4.37Å; F591-M595 HydrophobicContact CE1-SD 3.42Å; F591-M595 WeakPolarHBondContact CE1-SD 3.11Å; F591-M595 HydrophobicContact CZ-CG 4.44Å; F591-M595 HydrophobicContact CZ-SD 3.61Å; F591-M595 PolarHBondContact O-N 3.3Å
592	A	98.6	Very high	97.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.2	-42.5	178.6	0	0	0	0	0	112.3	L420 I473 L475 F550 A588 A589 M595 V596	L420-A592 HydrophobicContact CD1-CB 4.17Å; I473-A592 HydrophobicContact CG2-CB 4.41Å; L475-A592 HydrophobicContact CD2-CB 3.8Å; F550-A592 HydrophobicContact CE1-CB 3.92Å; F550-A592 HydrophobicContact CZ-CB 3.84Å; A588-A592 PolarHBondContact O-N 3.27Å; A589-A592 PolarHBondContact O-N 3.4Å; A592-M595 PolarHBondContact O-N 3.43Å; A592-V596 WeakPolarHBondContact O-CG2 3.41Å; A592-V596 PolarHBondContact O-N 3.36Å
593	G	98.3	Very high	97.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.6	-40.1	179.9	0	0	0	0	0	113.1	L127 F424 A589 F591 V596 L597	L127-G593 WeakPolarHBondContact CD2-O 3.49Å; F424-G593 WeakPolarHBondContact CZ-O 3.44Å; A589-G593 WeakPolarHBondContact O-CA 3.42Å; A589-G593 PolarHBondContact O-N 2.96Å; F591-G593 VanDerWaalsContact C-N 3.33Å; F591-G593 PolarHBondContact O-N 3.43Å; G593-V596 PolarHBondContact O-N 2.99Å; G593-L597 VanDerWaalsContact O-CB 3.27Å; G593-L597 WeakPolarHBondContact O-CB 3.1Å; G593-L597 PolarHBondContact O-N 3.06Å
594	L	98.2	Very high	97	Very high	7 Å²	7	16.3 Å²	16.3	4%	0.037	7%	0.074	C	C	.	.	H	α-helix	trans	-67.5	-36.8	175.9	-74.3	174.1	0	0	0	112.1	W120 L127 T500 E503 V504 R590 F591 L597 R598	W120-L594 HydrophobicContact CH2-CD2 4.1Å; W120-L594 HydrophobicContact CZ2-CD2 4.06Å; L127-L594 HydrophobicContact CD2-CD2 4.15Å; L127-L594 HydrophobicContact CD2-CG 4.32Å; T500-L594 HydrophobicContact CG2-CB 3.92Å; E503-L594 HydrophobicContact CB-CD1 4.39Å; V504-L594 HydrophobicContact CG2-CD1 3.62Å; R590-L594 WeakPolarHBondContact O-CB 3.45Å; R590-L594 VanDerWaalsContact O-CG 3.27Å; R590-L594 WeakPolarHBondContact O-CG 3.35Å; R590-L594 PolarHBondContact O-N 3.19Å; F591-L594 PolarHBondContact O-N 2.81Å; L594-L597 HydrophobicContact CD2-CD2 4.29Å; L594-L597 PolarHBondContact O-N 3.15Å; L594-R598 PolarHBondContact O-N 2.95Å
595	M	98	Very high	97	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-48.6	172.5	-68.4	-169.6	70.5	0	0	111.5	I473 L496 I497 T500 M548 F591 A592 L597 R598 L599	I473-M595 HydrophobicContact CD1-CB 3.97Å; L496-M595 HydrophobicContact CB-CE 4.29Å; L496-M595 HydrophobicContact CD2-CB 4.35Å; L496-M595 HydrophobicContact CD2-CE 3.71Å; L496-M595 HydrophobicContact CG-CE 3.77Å; L496-M595 HydrophobicContact CG-CG 4.42Å; I497-M595 HydrophobicContact CG1-CE 3.76Å; I497-M595 HydrophobicContact CG1-SD 4.34Å; T500-M595 HydrophobicContact CG2-CG 3.87Å; T500-M595 WeakPolarHBondContact OG1-CG 3.5Å; M548-M595 HydrophobicContact CE-CE 4.07Å; M548-M595 HydrophobicContact CE-SD 3.67Å; M548-M595 HydrophobicContact SD-CE 3.23Å; M548-M595 WeakPolarHBondContact SD-CE 3.47Å; M548-M595 HydrophobicContact SD-SD 3.44Å; F591-M595 HydrophobicContact CD1-SD 4.23Å; F591-M595 HydrophobicContact CE1-CG 4.37Å; F591-M595 HydrophobicContact CE1-SD 3.42Å; F591-M595 WeakPolarHBondContact CE1-SD 3.11Å; F591-M595 HydrophobicContact CZ-CG 4.44Å; F591-M595 HydrophobicContact CZ-SD 3.61Å; F591-M595 PolarHBondContact O-N 3.3Å; A592-M595 PolarHBondContact O-N 3.43Å; M595-L597 VanDerWaalsContact C-N 3.3Å; M595-L597 PolarHBondContact O-N 3.35Å; M595-R598 PolarHBondContact O-N 3.19Å; M595-L599 WeakPolarHBondContact O-CG 3.3Å; M595-L599 PolarHBondContact O-N 3.07Å; M595-L599 VanDerWaalsContact O-N 3.15Å
596	V	98.2	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-46.2	174.6	169.6	0	0	0	0	110.7	V394 L396 F424 I439 I473 A592 G593 R598 L599 V600	V394-V596 HydrophobicContact CG1-CG1 3.97Å; V394-V596 HydrophobicContact CG2-CG2 4.26Å; L396-V596 HydrophobicContact CD1-CG1 4.31Å; L396-V596 HydrophobicContact CD1-CG2 3.57Å; L396-V596 HydrophobicContact CD2-CG2 3.74Å; L396-V596 HydrophobicContact CG-CG2 3.83Å; F424-V596 HydrophobicContact CE1-CG1 4.15Å; F424-V596 HydrophobicContact CE2-CB 4.31Å; F424-V596 HydrophobicContact CE2-CG1 3.97Å; F424-V596 HydrophobicContact CZ-CB 3.92Å; F424-V596 HydrophobicContact CZ-CG1 3.55Å; I439-V596 HydrophobicContact CD1-CG1 3.86Å; I439-V596 HydrophobicContact CG1-CG1 4.03Å; I439-V596 HydrophobicContact CG2-CG1 4.19Å; I473-V596 HydrophobicContact CD1-CG2 3.79Å; A592-V596 WeakPolarHBondContact O-CG2 3.41Å; A592-V596 PolarHBondContact O-N 3.36Å; G593-V596 PolarHBondContact O-N 2.99Å; V596-R598 VanDerWaalsContact C-N 3.34Å; V596-R598 PolarHBondContact O-N 2.96Å; V596-L599 WeakPolarHBondContact O-CB 3.5Å; V596-L599 PolarHBondContact O-N 3.23Å; V596-V600 HydrophobicContact CG1-CG1 4.44Å; V596-V600 WeakPolarHBondContact O-CG2 3.34Å; V596-V600 PolarHBondContact O-N 3.14Å
597	L	97.3	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-44	-178	-169	65.4	0	0	0	111.2	W120 V123 L127 F424 M427 F433 G593 L594 M595 L599 V600 H601	W120-L597 HydrophobicContact CH2-CB 4.16Å; W120-L597 HydrophobicContact CH2-CD2 4.01Å; W120-L597 HydrophobicContact CH2-CG 4.18Å; W120-L597 HydrophobicContact CZ3-CB 4.04Å; W120-L597 HydrophobicContact CZ3-CD2 3.84Å; W120-L597 HydrophobicContact CZ3-CG 3.7Å; V123-L597 HydrophobicContact CB-CD1 4.15Å; V123-L597 HydrophobicContact CB-CD2 3.9Å; V123-L597 HydrophobicContact CB-CG 4.39Å; V123-L597 HydrophobicContact CG2-CD1 4.23Å; V123-L597 HydrophobicContact CG2-CD2 3.68Å; V123-L597 HydrophobicContact CG2-CG 4.04Å; L127-L597 HydrophobicContact CB-CD2 4.42Å; L127-L597 HydrophobicContact CD2-CB 4.48Å; L127-L597 HydrophobicContact CD2-CD2 4.22Å; F424-L597 HydrophobicContact CE1-CB 4.43Å; F424-L597 HydrophobicContact CE1-CD1 3.93Å; F424-L597 HydrophobicContact CZ-CB 4.42Å; M427-L597 HydrophobicContact CE-CD1 4.23Å; F433-L597 HydrophobicContact CE1-CD1 4.03Å; F433-L597 HydrophobicContact CE2-CD1 3.87Å; F433-L597 HydrophobicContact CZ-CD1 3.48Å; F433-L597 VanDerWaalsContact CZ-CD1 3.48Å; G593-L597 VanDerWaalsContact O-CB 3.27Å; G593-L597 WeakPolarHBondContact O-CB 3.1Å; G593-L597 PolarHBondContact O-N 3.06Å; L594-L597 HydrophobicContact CD2-CD2 4.29Å; L594-L597 PolarHBondContact O-N 3.15Å; M595-L597 VanDerWaalsContact C-N 3.3Å; M595-L597 PolarHBondContact O-N 3.35Å; L597-L599 VanDerWaalsContact C-N 3.32Å; L597-L599 PolarHBondContact O-N 3.38Å; L597-V600 PolarHBondContact O-N 3.35Å; L597-H601 WeakPolarHBondContact O-CA 3.47Å; L597-H601 WeakPolarHBondContact O-CB 3.3Å; L597-H601 PolarHBondContact O-N 3.36Å
598	R	96.4	Very high	96.7	Very high	55 Å²	55	19.9 Å²	19.9	21%	0.208	10%	0.1	C	C	.	.	H	α-helix	trans	-56.7	-46.1	172.7	-76.6	-64.9	-175.4	179	-0.3	112.1	W120 L496 E503 L594 M595 V596 V600 D602	W120-R598 VanDerWaalsContact CD2-CZ 3.41Å; W120-R598 VanDerWaalsContact CE2-NE 3.35Å; W120-R598 HydrophobicContact CH2-CB 4.41Å; W120-R598 VanDerWaalsContact CH2-CD 3.45Å; W120-R598 HydrophobicContact CH2-CG 3.44Å; W120-R598 VanDerWaalsContact CH2-CG 3.44Å; W120-R598 HydrophobicContact CZ2-CG 4.08Å; W120-R598 HydrophobicContact CZ3-CB 4.4Å; W120-R598 VanDerWaalsContact CZ3-CD 3.43Å; W120-R598 HydrophobicContact CZ3-CG 3.75Å; L496-R598 HydrophobicContact CD1-CB 3.62Å; L496-R598 HydrophobicContact CD1-CG 3.8Å; E503-R598 IonicContact OE1-CZ 3.86Å; E503-R598 IonicContact OE1-NE 3.7Å; E503-R598 IonicContact OE1-NH2 3.89Å; E503-R598 PolarHBondContact OE1-NH2 3.23Å; L594-R598 PolarHBondContact O-N 2.95Å; M595-R598 PolarHBondContact O-N 3.19Å; V596-R598 VanDerWaalsContact C-N 3.34Å; V596-R598 PolarHBondContact O-N 2.96Å; R598-V600 VanDerWaalsContact C-N 3.29Å; R598-V600 PolarHBondContact O-N 3.49Å; R598-D602 IonicContact NH1-OD2 2.69Å; R598-D602 PolarHBondContact O-N 2.88Å
599	L	97.4	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.2	-25.2	-177.3	-69	167.8	0	0	0	113.9	V394 R437 F470 T471 L496 M595 V596 L597 L607	V394-L599 HydrophobicContact CG2-CD1 4.25Å; R437-L599 PolarHBondContact NH1-O 3.39Å; F470-L599 HydrophobicContact CD2-CD2 4.46Å; F470-L599 HydrophobicContact CE2-CB 3.73Å; F470-L599 HydrophobicContact CE2-CD1 4.13Å; F470-L599 HydrophobicContact CE2-CD2 4.1Å; F470-L599 HydrophobicContact CE2-CG 4.19Å; F470-L599 HydrophobicContact CZ-CB 4.18Å; T471-L599 HydrophobicContact CG2-CD1 3.96Å; L496-L599 HydrophobicContact CD2-CD1 3.95Å; L496-L599 HydrophobicContact CD2-CD2 3.89Å; L496-L599 HydrophobicContact CD2-CG 3.79Å; M595-L599 WeakPolarHBondContact O-CG 3.3Å; M595-L599 PolarHBondContact O-N 3.07Å; M595-L599 VanDerWaalsContact O-N 3.15Å; V596-L599 WeakPolarHBondContact O-CB 3.5Å; V596-L599 PolarHBondContact O-N 3.23Å; L597-L599 VanDerWaalsContact C-N 3.32Å; L597-L599 PolarHBondContact O-N 3.38Å; L599-L607 HydrophobicContact CD2-CD2 4.45Å
600	V	97	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-108.1	-18.1	-178.6	-56	0	0	0	0	114.7	V394 F433 P435 R436 R437 I439 V596 L597 R598	V394-V600 HydrophobicContact CG1-CG1 3.76Å; F433-V600 HydrophobicContact CZ-CG2 4.01Å; P435-V600 HydrophobicContact CB-CB 3.99Å; P435-V600 HydrophobicContact CB-CG2 3.89Å; R436-V600 WeakPolarHBondContact CB-O 3.36Å; R436-V600 PolarHBondContact N-O 2.85Å; R437-V600 HydrophobicContact CB-CG1 4.23Å; I439-V600 HydrophobicContact CD1-CG1 4.4Å; I439-V600 HydrophobicContact CD1-CG2 4.12Å; I439-V600 HydrophobicContact CG1-CG1 3.8Å; I439-V600 HydrophobicContact CG1-CG2 4.43Å; V596-V600 HydrophobicContact CG1-CG1 4.44Å; V596-V600 WeakPolarHBondContact O-CG2 3.34Å; V596-V600 PolarHBondContact O-N 3.14Å; L597-V600 PolarHBondContact O-N 3.35Å; R598-V600 VanDerWaalsContact C-N 3.29Å; R598-V600 PolarHBondContact O-N 3.49Å
601	H	94.8	Very high	96.2	Very high	34 Å²	34	21.7 Å²	21.7	16%	0.157	12%	0.115	C	C	.	.	H	α-helix	trans	-85.9	-45	179.4	173	-90.9	0	0	0	111.7	L118 R436 L597	L118-H601 PolarHBondContact O-NE2 3.15Å; R436-H601 VanDerWaalsContact CD-O 3.3Å; R436-H601 WeakPolarHBondContact CD-O 3.42Å; R436-H601 PolarHBondContact NE-O 3.18Å; R436-H601 VanDerWaalsContact NE-O 3.16Å; L597-H601 WeakPolarHBondContact O-CA 3.47Å; L597-H601 WeakPolarHBondContact O-CB 3.3Å; L597-H601 PolarHBondContact O-N 3.36Å
602	D	93.3	Very high	96.1	Very high	49 Å²	49	21.7 Å²	21.7	26%	0.262	12%	0.115	S	C	.	.	S	Bend	trans	-79	148.1	-171.2	-63.9	-15.2	0	0	0	111.7	R437 R598 L604	R437-D602 PolarHBondContact NH1-O 3.42Å; R598-D602 IonicContact NH1-OD2 2.69Å; R598-D602 PolarHBondContact O-N 2.88Å; D602-L604 VanDerWaalsContact C-N 3.32Å; D602-L604 PolarHBondContact O-N 3.24Å
603	H	93.1	Very high	95.9	Very high	60 Å²	60	25.1 Å²	25.1	28%	0.278	13%	0.128	S	C	.	.	S	Bend	trans	-63.6	-38.7	179.1	-67.1	89.2	0	0	0	111.8	R436 R437 L667 N677	R436-H603 PolarHBondContact NH1-CD2 3.48Å; R436-H603 VanDerWaalsContact NH1-CD2 3.25Å; R436-H603 PolarHBondContact NH1-NE2 2.99Å; R436-H603 PolarHBondContact NH2-CE1 3.03Å; R436-H603 PolarHBondContact NH2-NE2 3.43Å; R437-H603 PolarHBondContact NH2-O 2.81Å; H603-L667 PolarHBondContact CD2-O 3.32Å; H603-L667 VanDerWaalsContact CG-O 3.31Å; H603-N677 PolarHBondContact O-ND2 2.84Å
604	L	94.5	Very high	95.7	Very high	39 Å²	39	27.3 Å²	27.3	20%	0.204	15%	0.151	C	C	.	.	S	Bend	trans	-96.1	141.9	176.3	-168.3	73.9	0	0	0	110.2	D602 G606 I662 L676 N677 I680	D602-L604 VanDerWaalsContact C-N 3.32Å; D602-L604 PolarHBondContact O-N 3.24Å; L604-G606 PolarHBondContact O-N 3.05Å; L604-I662 HydrophobicContact CD1-CD1 4.35Å; L604-I662 HydrophobicContact CD1-CG1 4.16Å; L604-I662 HydrophobicContact CD2-CD1 3.76Å; L604-I662 HydrophobicContact CD2-CG1 4.04Å; L604-I662 HydrophobicContact CD2-CG2 3.88Å; L604-L676 HydrophobicContact CD1-CB 4.23Å; L604-N677 WeakPolarHBondContact CA-OD1 3.31Å; L604-I680 HydrophobicContact CD1-CD1 3.78Å; L604-I680 HydrophobicContact CG-CD1 4.24Å
605	L	95.5	Very high	95.5	Very high	3 Å²	3	29 Å²	29	2%	0.016	16%	0.163	C	C	.	.			trans	-65.2	125.7	167.8	-71.1	173.5	0	0	0	109.9	F470 L607 N677 M681	F470-L605 HydrophobicContact CB-CD1 4.03Å; F470-L605 HydrophobicContact CB-CD2 4.46Å; F470-L605 HydrophobicContact CD1-CD2 4.16Å; F470-L605 HydrophobicContact CD2-CD2 3.65Å; F470-L605 HydrophobicContact CE1-CD2 4.3Å; F470-L605 HydrophobicContact CE2-CD2 3.87Å; F470-L605 HydrophobicContact CG-CD1 4.26Å; F470-L605 HydrophobicContact CG-CD2 3.82Å; F470-L605 HydrophobicContact CZ-CD2 4.16Å; L605-L607 HydrophobicContact CB-CD1 4.4Å; L605-L607 HydrophobicContact CB-CG 4.3Å; L605-L607 HydrophobicContact CD1-CD1 4.47Å; L605-L607 PolarHBondContact O-N 3.43Å; L605-N677 HydrophobicContact CD1-CB 3.95Å; L605-N677 HydrophobicContact CG-CB 4.23Å; L605-N677 WeakPolarHBondContact CG-OD1 3.38Å; L605-N677 PolarHBondContact N-OD1 3.1Å; L605-M681 HydrophobicContact CD1-CG 3.57Å; L605-M681 HydrophobicContact CD1-SD 3.92Å
606	G	94.4	Very high	95.5	Very high	34 Å²	34	29 Å²	29	35%	0.351	16%	0.164	S	C	.	.			trans	-72.5	45.8	177	0	0	0	0	0	114.2	L604	L604-G606 PolarHBondContact O-N 3.05Å
607	L	97.1	Very high	95.4	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.052	17%	0.173	C	C	.	.			trans	-107.9	116.9	179.7	-60.8	178.4	0	0	0	109.6	L492 L493 P546 L599 L605 V609 I680	L492-L607 HydrophobicContact CB-CB 4.28Å; L492-L607 HydrophobicContact CB-CD2 4.29Å; L492-L607 WeakPolarHBondContact O-CA 3.21Å; L493-L607 HydrophobicContact CD2-CD2 3.52Å; L493-L607 HydrophobicContact CG-CD2 4.24Å; P546-L607 HydrophobicContact CB-CD2 4.46Å; P546-L607 HydrophobicContact CG-CD1 4.22Å; L599-L607 HydrophobicContact CD2-CD2 4.45Å; L605-L607 HydrophobicContact CB-CD1 4.4Å; L605-L607 HydrophobicContact CB-CG 4.3Å; L605-L607 HydrophobicContact CD1-CD1 4.47Å; L605-L607 PolarHBondContact O-N 3.43Å; L607-V609 PolarHBondContact O-N 2.96Å; L607-I680 HydrophobicContact CB-CG2 3.61Å; L607-I680 HydrophobicContact CD1-CG2 3.96Å; L607-I680 HydrophobicContact CG-CG2 4.32Å
608	D	96.1	Very high	95.3	Very high	45 Å²	45	38.1 Å²	38.1	24%	0.241	21%	0.206	C	C	.	.			trans	-92.9	93.9	-172.3	-173.5	-10.9	0	0	0	111.9	L492 S495 S610 R611	L492-D608 WeakPolarHBondContact CD2-O 3.41Å; L492-D608 PolarHBondContact O-N 2.7Å; S495-D608 PolarHBondContact OG-OD2 2.97Å; D608-S610 PolarHBondContact O-N 3.48Å; D608-S610 VanDerWaalsContact OD1-CB 3.32Å; D608-S610 WeakPolarHBondContact OD1-CB 3.38Å; D608-S610 PolarHBondContact OD1-N 2.68Å; D608-R611 HydrophobicContact CB-CG 3.86Å; D608-R611 WeakPolarHBondContact O-CB 3.32Å; D608-R611 PolarHBondContact O-N 3.43Å; D608-R611 WeakPolarHBondContact OD2-CG 3.35Å; D608-R611 IonicContact OD2-NE 3.35Å; D608-R611 PolarHBondContact OD2-NE 2.99Å
609	V	95.1	Very high	95.3	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.036	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23	-179.4	-57.9	0	0	0	0	113.7	L492 L607 R611 Y651 A655 I658 I680 V683 M741	L492-V609 HydrophobicContact CD2-CB 4.38Å; L492-V609 HydrophobicContact CD2-CG1 4.15Å; L607-V609 PolarHBondContact O-N 2.96Å; V609-R611 VanDerWaalsContact C-N 3.33Å; V609-Y651 PolarHBondContact O-OH 3.26Å; V609-A655 HydrophobicContact CG2-CB 4.12Å; V609-I658 HydrophobicContact CG2-CB 4.38Å; V609-I658 HydrophobicContact CG2-CG2 4.26Å; V609-I680 HydrophobicContact CG1-CG1 4.29Å; V609-I680 HydrophobicContact CG1-CG2 4.27Å; V609-V683 HydrophobicContact CG1-CG2 3.82Å; V609-M741 HydrophobicContact CB-CE 4.39Å
610	S	94	Very high	95.3	Very high	46 Å²	46	36.7 Å²	36.7	32%	0.322	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-26.3	-178.2	-59.1	0	0	0	0	112.1	D608 Y612 Y613	D608-S610 PolarHBondContact O-N 3.48Å; D608-S610 VanDerWaalsContact OD1-CB 3.32Å; D608-S610 WeakPolarHBondContact OD1-CB 3.38Å; D608-S610 PolarHBondContact OD1-N 2.68Å; S610-Y612 PolarHBondContact O-N 3.37Å; S610-Y613 WeakPolarHBondContact O-CB 3.42Å; S610-Y613 PolarHBondContact O-N 3.08Å; S610-Y613 VanDerWaalsContact O-N 3.15Å
611	R	94.8	Very high	95.3	Very high	67 Å²	67	39.4 Å²	39.4	25%	0.253	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-30.9	179.3	-67.7	-65.6	-174	155.3	8.8	112.9	P491 S495 E498 E523 D608 V609 Y613 G614	P491-R611 HydrophobicContact CB-CB 4.14Å; P491-R611 WeakPolarHBondContact O-CB 3.36Å; S495-R611 PolarHBondContact OG-NE 2.9Å; S495-R611 PolarHBondContact OG-NH2 3.34Å; S495-R611 VanDerWaalsContact OG-NH2 3.15Å; E498-R611 IonicContact OE2-NH2 3.28Å; E498-R611 PolarHBondContact OE2-NH2 3.02Å; E523-R611 IonicContact OE1-CZ 3.61Å; E523-R611 IonicContact OE1-NH1 2.69Å; E523-R611 PolarHBondContact OE1-NH1 2.9Å; D608-R611 HydrophobicContact CB-CG 3.86Å; D608-R611 WeakPolarHBondContact O-CB 3.32Å; D608-R611 PolarHBondContact O-N 3.43Å; D608-R611 WeakPolarHBondContact OD2-CG 3.35Å; D608-R611 IonicContact OD2-NE 3.35Å; D608-R611 PolarHBondContact OD2-NE 2.99Å; V609-R611 VanDerWaalsContact C-N 3.33Å; R611-Y613 VanDerWaalsContact C-N 3.27Å; R611-Y613 PolarHBondContact O-N 3.34Å; R611-G614 PolarHBondContact O-N 2.74Å
612	Y	95.4	Very high	95.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-28.7	178.3	-104.4	-52.6	0	0	0	113.5	P491 L492 S610 G614 S615 I616 Y651 V683 E684 L687 H701 L703	P491-Y612 HydrophobicContact CB-CD1 4.01Å; P491-Y612 HydrophobicContact CB-CD2 4.38Å; P491-Y612 HydrophobicContact CB-CE1 4.03Å; P491-Y612 HydrophobicContact CB-CE2 4.47Å; P491-Y612 HydrophobicContact CB-CG 4.14Å; P491-Y612 HydrophobicContact CG-CD1 3.86Å; P491-Y612 HydrophobicContact CG-CE1 3.52Å; P491-Y612 HydrophobicContact CG-CG 4.48Å; L492-Y612 HydrophobicContact CD1-CD2 4.49Å; L492-Y612 HydrophobicContact CD1-CE2 4.07Å; L492-Y612 HydrophobicContact CD2-CD2 3.68Å; L492-Y612 HydrophobicContact CD2-CE2 4.05Å; L492-Y612 HydrophobicContact CG-CD2 3.79Å; L492-Y612 HydrophobicContact CG-CE2 3.61Å; S610-Y612 PolarHBondContact O-N 3.37Å; Y612-G614 VanDerWaalsContact C-N 3.26Å; Y612-G614 PolarHBondContact O-N 2.87Å; Y612-S615 PolarHBondContact O-N 3.46Å; Y612-S615 VanDerWaalsContact O-N 3.16Å; Y612-I616 WeakPolarHBondContact O-CB 3.48Å; Y612-I616 VanDerWaalsContact O-CG1 3.28Å; Y612-I616 WeakPolarHBondContact O-CG1 3.41Å; Y612-I616 PolarHBondContact O-N 3.09Å; Y612-Y651 WeakPolarHBondContact CB-OH 3.46Å; Y612-V683 HydrophobicContact CD2-CG1 4.1Å; Y612-E684 PolarHBondContact OH-OE1 3.25Å; Y612-E684 PolarHBondContact OH-OE2 3.48Å; Y612-L687 HydrophobicContact CD1-CD1 4.11Å; Y612-L687 HydrophobicContact CD2-CD1 4.07Å; Y612-L687 HydrophobicContact CE1-CD1 3.81Å; Y612-L687 HydrophobicContact CE2-CD1 3.72Å; Y612-L687 HydrophobicContact CG-CD1 4.27Å; Y612-H701 PolarHBondContact OH-NE2 3.14Å; Y612-L703 HydrophobicContact CD1-CD1 3.8Å; Y612-L703 HydrophobicContact CE1-CD1 3.71Å
613	Y	95.1	Very high	95.5	Very high	71 Å²	71	40.2 Å²	40.2	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-58.6	-38.2	-178.7	174.4	-110.6	0	0	0	112.6	S610 R611 T617 R648 K652	S610-Y613 WeakPolarHBondContact O-CB 3.42Å; S610-Y613 PolarHBondContact O-N 3.08Å; S610-Y613 VanDerWaalsContact O-N 3.15Å; R611-Y613 VanDerWaalsContact C-N 3.27Å; R611-Y613 PolarHBondContact O-N 3.34Å; Y613-T617 WeakPolarHBondContact CE2-OG1 3.46Å; Y613-T617 WeakPolarHBondContact O-CB 3.36Å; Y613-T617 PolarHBondContact O-N 3.23Å; Y613-T617 PolarHBondContact O-OG1 3.4Å; Y613-R648 HydrophobicContact CE2-CG 4.27Å; Y613-R648 PolarHBondContact OH-NH1 2.92Å; Y613-K652 HydrophobicContact CD1-CD 4.36Å; Y613-K652 HydrophobicContact CD2-CB 3.66Å; Y613-K652 HydrophobicContact CD2-CD 4.13Å; Y613-K652 HydrophobicContact CD2-CG 4.13Å; Y613-K652 HydrophobicContact CE1-CD 3.92Å; Y613-K652 HydrophobicContact CE2-CB 3.67Å; Y613-K652 HydrophobicContact CE2-CD 3.67Å; Y613-K652 HydrophobicContact CE2-CG 4.08Å; Y613-K652 HydrophobicContact CG-CB 4.44Å; Y613-K652 HydrophobicContact CG-CD 4.45Å; Y613-K652 HydrophobicContact CG-CG 4.5Å
614	G	94	Very high	95.6	Very high	46 Å²	46	41.1 Å²	41.1	47%	0.474	23%	0.226	S	C	.	.	H	α-helix	trans	-63.2	-49.6	176.1	0	0	0	0	0	112	R611 Y612 T617 K618	R611-G614 PolarHBondContact O-N 2.74Å; Y612-G614 VanDerWaalsContact C-N 3.26Å; Y612-G614 PolarHBondContact O-N 2.87Å; G614-T617 PolarHBondContact O-N 2.91Å; G614-K618 PolarHBondContact O-N 3.4Å
615	S	94.3	Very high	95.6	Very high	42 Å²	42	44.5 Å²	44.5	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-45.9	178.8	-59	0	0	0	0	112.5	Y612 K618 A619	Y612-S615 PolarHBondContact O-N 3.46Å; Y612-S615 VanDerWaalsContact O-N 3.16Å; S615-K618 PolarHBondContact O-N 3.1Å; S615-A619 PolarHBondContact O-N 3.02Å; S615-A619 VanDerWaalsContact O-N 3.14Å
616	I	96.9	Very high	95.5	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-46.1	176.3	-65.7	164.6	0	0	0	110	Y612 K618 A619 V620 R648 Y651 L703 L734	Y612-I616 WeakPolarHBondContact O-CB 3.48Å; Y612-I616 VanDerWaalsContact O-CG1 3.28Å; Y612-I616 WeakPolarHBondContact O-CG1 3.41Å; Y612-I616 PolarHBondContact O-N 3.09Å; I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 3.45Å; I616-A619 PolarHBondContact O-N 3.36Å; I616-V620 HydrophobicContact CG2-CG2 3.94Å; I616-V620 WeakPolarHBondContact O-CB 3.43Å; I616-V620 VanDerWaalsContact O-CG2 3.31Å; I616-V620 WeakPolarHBondContact O-CG2 3.18Å; I616-V620 PolarHBondContact O-N 3.28Å; I616-R648 HydrophobicContact CG2-CB 4.38Å; I616-R648 HydrophobicContact CG2-CG 3.97Å; I616-Y651 HydrophobicContact CD1-CD1 3.59Å; I616-Y651 HydrophobicContact CD1-CD2 3.83Å; I616-Y651 HydrophobicContact CD1-CE1 3.65Å; I616-Y651 HydrophobicContact CD1-CE2 3.86Å; I616-Y651 HydrophobicContact CD1-CG 3.72Å; I616-L703 HydrophobicContact CG1-CD1 3.76Å; I616-L734 HydrophobicContact CD1-CD1 4.04Å; I616-L734 HydrophobicContact CG2-CD1 4.03Å; I616-L734 HydrophobicContact CG2-CD2 3.82Å
617	T	97.1	Very high	95.5	Very high	32 Å²	32	45 Å²	45	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-44.8	180	-63.8	0	0	0	0	111.6	Y613 G614 A619 V620 V621 R648	Y613-T617 WeakPolarHBondContact CE2-OG1 3.46Å; Y613-T617 WeakPolarHBondContact O-CB 3.36Å; Y613-T617 PolarHBondContact O-N 3.23Å; Y613-T617 PolarHBondContact O-OG1 3.4Å; G614-T617 PolarHBondContact O-N 2.91Å; T617-A619 VanDerWaalsContact C-N 3.34Å; T617-A619 PolarHBondContact O-N 3.04Å; T617-V620 PolarHBondContact O-N 3.12Å; T617-V621 HydrophobicContact CG2-CG2 4.17Å; T617-V621 WeakPolarHBondContact O-CB 2.98Å; T617-V621 WeakPolarHBondContact O-CG2 3.5Å; T617-V621 PolarHBondContact O-N 3.35Å; T617-R648 PolarHBondContact OG1-NH1 3.15Å
618	K	95.6	Very high	95.3	Very high	159 Å²	159	46.6 Å²	46.6	69%	0.691	24%	0.239	S	C	*	.	H	α-helix	trans	-58	-46.4	176.9	-173.9	178.8	177	-176.6	0	111.5	G614 S615 I616 Q622	G614-K618 PolarHBondContact O-N 3.4Å; S615-K618 PolarHBondContact O-N 3.1Å; I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 3.45Å; K618-Q622 WeakPolarHBondContact O-CG 3.32Å; K618-Q622 PolarHBondContact O-N 3.22Å
619	A	96.2	Very high	95.2	Very high	23 Å²	23	50 Å²	50	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-48	-179.6	0	0	0	0	0	112.6	S615 I616 T617 V621 Q622 V623 L703 L711	S615-A619 PolarHBondContact O-N 3.02Å; S615-A619 VanDerWaalsContact O-N 3.14Å; I616-A619 PolarHBondContact O-N 3.36Å; T617-A619 VanDerWaalsContact C-N 3.34Å; T617-A619 PolarHBondContact O-N 3.04Å; A619-V621 VanDerWaalsContact C-N 3.31Å; A619-V621 PolarHBondContact O-N 3.09Å; A619-Q622 PolarHBondContact O-N 3.1Å; A619-Q622 VanDerWaalsContact O-N 3.15Å; A619-V623 PolarHBondContact O-N 3.16Å; A619-L703 HydrophobicContact CB-CD2 3.62Å; A619-L711 HydrophobicContact CB-CB 3.94Å; A619-L711 HydrophobicContact CB-CD1 3.76Å
620	V	97.1	Very high	95.1	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-38.8	179.5	168.8	0	0	0	0	111.6	I616 T617 Q622 V623 Y624 L644 R648 L711 L734	I616-V620 HydrophobicContact CG2-CG2 3.94Å; I616-V620 WeakPolarHBondContact O-CB 3.43Å; I616-V620 VanDerWaalsContact O-CG2 3.31Å; I616-V620 WeakPolarHBondContact O-CG2 3.18Å; I616-V620 PolarHBondContact O-N 3.28Å; T617-V620 PolarHBondContact O-N 3.12Å; V620-Q622 VanDerWaalsContact C-N 3.3Å; V620-Q622 PolarHBondContact O-N 3.43Å; V620-V623 PolarHBondContact O-N 2.65Å; V620-Y624 VanDerWaalsContact O-CB 3.28Å; V620-Y624 WeakPolarHBondContact O-CB 3.48Å; V620-Y624 PolarHBondContact O-N 2.89Å; V620-L644 HydrophobicContact CB-CD2 4.5Å; V620-L644 HydrophobicContact CG1-CD2 4.07Å; V620-L644 HydrophobicContact CG1-CG 3.92Å; V620-L644 HydrophobicContact CG2-CD1 4.26Å; V620-L644 HydrophobicContact CG2-CD2 4.24Å; V620-L644 HydrophobicContact CG2-CG 4.03Å; V620-R648 HydrophobicContact CG1-CB 4.46Å; V620-R648 HydrophobicContact CG2-CB 4.39Å; V620-L711 HydrophobicContact CG2-CD1 4.06Å; V620-L734 HydrophobicContact CG2-CD2 4.19Å
621	V	96.3	Very high	94.9	Very high	57 Å²	57	50.2 Å²	50.2	35%	0.345	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-35.5	177.7	166.9	0	0	0	0	112	T617 A619 Y624 K625	T617-V621 HydrophobicContact CG2-CG2 4.17Å; T617-V621 WeakPolarHBondContact O-CB 2.98Å; T617-V621 WeakPolarHBondContact O-CG2 3.5Å; T617-V621 PolarHBondContact O-N 3.35Å; A619-V621 VanDerWaalsContact C-N 3.31Å; A619-V621 PolarHBondContact O-N 3.09Å; V621-Y624 PolarHBondContact O-N 2.86Å; V621-K625 HydrophobicContact CG1-CD 4.28Å; V621-K625 WeakPolarHBondContact O-CG 3.43Å; V621-K625 PolarHBondContact O-N 2.74Å
622	Q	96.2	Very high	94.8	Very high	100 Å²	100	55 Å²	55	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-46.9	176.5	-63.3	-58.6	-21.8	0	0	111.4	K618 A619 V620 Y624 K625 R626 A715	K618-Q622 WeakPolarHBondContact O-CG 3.32Å; K618-Q622 PolarHBondContact O-N 3.22Å; A619-Q622 PolarHBondContact O-N 3.1Å; A619-Q622 VanDerWaalsContact O-N 3.15Å; V620-Q622 VanDerWaalsContact C-N 3.3Å; V620-Q622 PolarHBondContact O-N 3.43Å; Q622-Y624 VanDerWaalsContact C-N 3.33Å; Q622-Y624 PolarHBondContact O-N 3.29Å; Q622-K625 PolarHBondContact O-N 3.41Å; Q622-R626 PolarHBondContact O-N 2.78Å; Q622-A715 HydrophobicContact CB-CB 4.16Å
623	V	96.2	Very high	94.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-45.9	175	177.3	0	0	0	0	110.7	A619 V620 K625 R626 V627 L644 L711 I714 A715 L727	A619-V623 PolarHBondContact O-N 3.16Å; V620-V623 PolarHBondContact O-N 2.65Å; V623-K625 PolarHBondContact O-N 3.38Å; V623-R626 PolarHBondContact O-N 3.43Å; V623-V627 HydrophobicContact CG1-CG2 4.14Å; V623-V627 VanDerWaalsContact O-CG2 3.32Å; V623-V627 WeakPolarHBondContact O-CG2 3.26Å; V623-V627 PolarHBondContact O-N 3.48Å; V623-L644 HydrophobicContact CB-CD2 4.06Å; V623-L644 HydrophobicContact CG1-CD2 3.78Å; V623-L711 HydrophobicContact CG2-CB 4.31Å; V623-L711 HydrophobicContact CG2-CD2 4.24Å; V623-L711 VanDerWaalsContact CG2-O 3.23Å; V623-L711 WeakPolarHBondContact CG2-O 3.29Å; V623-I714 HydrophobicContact CG1-CG2 3.81Å; V623-I714 HydrophobicContact CG2-CB 4.29Å; V623-I714 HydrophobicContact CG2-CG2 4.15Å; V623-A715 HydrophobicContact CG2-CB 4.08Å; V623-L727 HydrophobicContact CG1-CD1 3.77Å
624	Y	94.9	Very high	94.4	Very high	79 Å²	79	56.8 Å²	56.8	31%	0.31	31%	0.307	S	S	.	.	H	α-helix	trans	-57.7	-46.1	178.6	-175.3	-87.6	0	0	0	112.1	V620 V621 Q622 N628 P641	V620-Y624 VanDerWaalsContact O-CB 3.28Å; V620-Y624 WeakPolarHBondContact O-CB 3.48Å; V620-Y624 PolarHBondContact O-N 2.89Å; V621-Y624 PolarHBondContact O-N 2.86Å; Q622-Y624 VanDerWaalsContact C-N 3.33Å; Q622-Y624 PolarHBondContact O-N 3.29Å; Y624-N628 WeakPolarHBondContact CD1-ND2 3.34Å; Y624-N628 WeakPolarHBondContact CE1-ND2 3.45Å; Y624-N628 WeakPolarHBondContact O-CB 3.25Å; Y624-N628 PolarHBondContact O-N 3.02Å; Y624-P641 HydrophobicContact CD2-CB 3.63Å; Y624-P641 HydrophobicContact CD2-CG 3.45Å; Y624-P641 VanDerWaalsContact CD2-CG 3.45Å; Y624-P641 HydrophobicContact CE2-CB 4.2Å; Y624-P641 HydrophobicContact CE2-CG 3.57Å; Y624-P641 HydrophobicContact CG-CB 4.33Å; Y624-P641 HydrophobicContact CG-CG 4.15Å
625	K	94.6	Very high	94.1	Very high	110 Å²	110	60.8 Å²	60.8	48%	0.478	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-47.1	176.2	-75.7	177	-179.3	-177.3	0	111.6	V621 Q622 V623 N628 Q629	V621-K625 HydrophobicContact CG1-CD 4.28Å; V621-K625 WeakPolarHBondContact O-CG 3.43Å; V621-K625 PolarHBondContact O-N 2.74Å; Q622-K625 PolarHBondContact O-N 3.41Å; V623-K625 PolarHBondContact O-N 3.38Å; K625-N628 PolarHBondContact O-N 2.95Å; K625-Q629 VanDerWaalsContact O-CG 3.25Å; K625-Q629 WeakPolarHBondContact O-CG 3.23Å; K625-Q629 PolarHBondContact O-N 3.12Å
626	R	94	Very high	93.8	Very high	47 Å²	47	58.9 Å²	58.9	18%	0.177	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-50.4	179.4	176.6	62.1	169.9	157.1	-0	111.8	Q622 V623 N628 Q629 L630 A715 T717 Q718	Q622-R626 PolarHBondContact O-N 2.78Å; V623-R626 PolarHBondContact O-N 3.43Å; R626-N628 VanDerWaalsContact C-N 3.34Å; R626-N628 PolarHBondContact O-N 2.8Å; R626-Q629 PolarHBondContact O-N 3.35Å; R626-L630 HydrophobicContact CG-CD1 4.03Å; R626-L630 WeakPolarHBondContact O-CG 3.38Å; R626-L630 PolarHBondContact O-N 2.72Å; R626-A715 WeakPolarHBondContact CG-O 3.47Å; R626-T717 PolarHBondContact NH2-O 3.02Å; R626-Q718 VanDerWaalsContact NH2-OE1 3.11Å
627	V	94.1	Very high	93.4	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-46.8	179.9	174.2	0	0	0	0	110.1	V623 Q629 L630 T631 L636 V639 P641 L723 L727	V623-V627 HydrophobicContact CG1-CG2 4.14Å; V623-V627 VanDerWaalsContact O-CG2 3.32Å; V623-V627 WeakPolarHBondContact O-CG2 3.26Å; V623-V627 PolarHBondContact O-N 3.48Å; V627-Q629 PolarHBondContact O-N 3.47Å; V627-L630 PolarHBondContact O-N 3.24Å; V627-T631 PolarHBondContact O-N 2.86Å; V627-T631 PolarHBondContact O-OG1 3.46Å; V627-L636 HydrophobicContact CG1-CD2 4.06Å; V627-V639 HydrophobicContact CG1-CG1 4.16Å; V627-P641 HydrophobicContact CB-CB 4.08Å; V627-P641 HydrophobicContact CB-CG 4.2Å; V627-P641 HydrophobicContact CG1-CB 4.02Å; V627-P641 HydrophobicContact CG1-CG 3.95Å; V627-P641 HydrophobicContact CG2-CB 4.47Å; V627-L723 HydrophobicContact CG2-CD2 4.34Å; V627-L727 HydrophobicContact CG2-CD2 4.11Å
628	N	92.9	Very high	92.8	Very high	43 Å²	43	71.8 Å²	71.8	23%	0.23	36%	0.362	C	S	.	.	H	α-helix	trans	-63.3	-40.3	178.9	-76.2	-14.2	0	0	0	113.3	Y624 K625 R626 L630 T631 Q632 P641	Y624-N628 WeakPolarHBondContact CD1-ND2 3.34Å; Y624-N628 WeakPolarHBondContact CE1-ND2 3.45Å; Y624-N628 WeakPolarHBondContact O-CB 3.25Å; Y624-N628 PolarHBondContact O-N 3.02Å; K625-N628 PolarHBondContact O-N 2.95Å; R626-N628 VanDerWaalsContact C-N 3.34Å; R626-N628 PolarHBondContact O-N 2.8Å; N628-L630 VanDerWaalsContact C-N 3.34Å; N628-T631 PolarHBondContact O-N 2.96Å; N628-Q632 WeakPolarHBondContact O-CB 3.49Å; N628-Q632 WeakPolarHBondContact O-CG 3.3Å; N628-Q632 PolarHBondContact O-N 3.4Å; N628-P641 WeakPolarHBondContact OD1-CG 3.43Å
629	Q	93.7	Very high	92.5	Very high	116 Å²	116	65.5 Å²	65.5	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-45.5	174.6	-74.2	168.5	-12.7	0	0	111.1	K625 R626 V627 Q632 S633	K625-Q629 VanDerWaalsContact O-CG 3.25Å; K625-Q629 WeakPolarHBondContact O-CG 3.23Å; K625-Q629 PolarHBondContact O-N 3.12Å; R626-Q629 PolarHBondContact O-N 3.35Å; V627-Q629 PolarHBondContact O-N 3.47Å; Q629-Q632 PolarHBondContact O-N 3.19Å; Q629-S633 WeakPolarHBondContact O-CB 3.45Å; Q629-S633 PolarHBondContact O-N 3.06Å; Q629-S633 PolarHBondContact O-OG 3.48Å
630	L	93.4	Very high	92.1	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-41.9	178.5	-70.1	172.8	0	0	0	112.1	R626 V627 N628 S633 G634 Q635 L636 M720 L723	R626-L630 HydrophobicContact CG-CD1 4.03Å; R626-L630 WeakPolarHBondContact O-CG 3.38Å; R626-L630 PolarHBondContact O-N 2.72Å; V627-L630 PolarHBondContact O-N 3.24Å; N628-L630 VanDerWaalsContact C-N 3.34Å; L630-S633 WeakPolarHBondContact CA-OG 3.35Å; L630-S633 PolarHBondContact O-N 3Å; L630-S633 PolarHBondContact O-OG 3.41Å; L630-G634 PolarHBondContact O-N 2.89Å; L630-Q635 HydrophobicContact CD2-CB 4.1Å; L630-Q635 PolarHBondContact O-N 3.33Å; L630-Q635 VanDerWaalsContact O-N 3.11Å; L630-L636 HydrophobicContact CB-CB 3.77Å; L630-L636 HydrophobicContact CB-CD2 4.33Å; L630-L636 PolarHBondContact O-N 3.16Å; L630-M720 HydrophobicContact CD1-CE 3.94Å; L630-M720 HydrophobicContact CD1-SD 3.87Å; L630-M720 HydrophobicContact CD2-CE 4.42Å; L630-M720 HydrophobicContact CD2-SD 4.32Å; L630-L723 HydrophobicContact CD1-CD1 3.5Å; L630-L723 VanDerWaalsContact CD1-CD1 3.5Å
631	T	91	Very high	91.6	Very high	56 Å²	56	67.1 Å²	67.1	34%	0.344	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-44.6	176	-53.4	0	0	0	0	111.4	V627 N628 S633 G634 L636	V627-T631 PolarHBondContact O-N 2.86Å; V627-T631 PolarHBondContact O-OG1 3.46Å; N628-T631 PolarHBondContact O-N 2.96Å; T631-S633 VanDerWaalsContact C-N 3.32Å; T631-S633 PolarHBondContact O-N 2.87Å; T631-G634 PolarHBondContact O-N 3.18Å; T631-G634 VanDerWaalsContact O-N 3.11Å; T631-L636 WeakPolarHBondContact CA-O 3.43Å
632	Q	90.9	Very high	91.5	Very high	166 Å²	166	68.2 Å²	68.2	78%	0.776	35%	0.35	S	S	*	.	H	α-helix	trans	-64.3	-36.1	177.4	-74.4	172.5	2	0	0	112.6	N628 Q629 G634	N628-Q632 WeakPolarHBondContact O-CB 3.49Å; N628-Q632 WeakPolarHBondContact O-CG 3.3Å; N628-Q632 PolarHBondContact O-N 3.4Å; Q629-Q632 PolarHBondContact O-N 3.19Å; Q632-G634 PolarHBondContact O-N 3.29Å
633	S	92.4	Very high	91.3	Very high	69 Å²	69	70 Å²	70	48%	0.483	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.7	175.6	72	0	0	0	0	114.1	Q629 L630 T631 Q635	Q629-S633 WeakPolarHBondContact O-CB 3.45Å; Q629-S633 PolarHBondContact O-N 3.06Å; Q629-S633 PolarHBondContact O-OG 3.48Å; L630-S633 WeakPolarHBondContact CA-OG 3.35Å; L630-S633 PolarHBondContact O-N 3Å; L630-S633 PolarHBondContact O-OG 3.41Å; T631-S633 VanDerWaalsContact C-N 3.32Å; T631-S633 PolarHBondContact O-N 2.87Å; S633-Q635 PolarHBondContact O-N 3.21Å; S633-Q635 WeakPolarHBondContact OG-CB 3.49Å; S633-Q635 WeakPolarHBondContact OG-CG 3.27Å; S633-Q635 PolarHBondContact OG-N 3.04Å
634	G	89.8	Confident	91.2	Very high	41 Å²	41	70 Å²	70	42%	0.423	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	0.7	-176	0	0	0	0	0	115.1	L630 T631 Q632 L636	L630-G634 PolarHBondContact O-N 2.89Å; T631-G634 PolarHBondContact O-N 3.18Å; T631-G634 VanDerWaalsContact O-N 3.11Å; Q632-G634 PolarHBondContact O-N 3.29Å; G634-L636 VanDerWaalsContact C-N 3.28Å; G634-L636 PolarHBondContact O-N 2.99Å
635	Q	88.5	Confident	91.2	Very high	130 Å²	130	69 Å²	69	61%	0.607	35%	0.352	S	S	*	.	S	Bend	trans	-69.3	-26.5	176.8	-69.3	-178.5	-15	0	0	112.7	L630 S633	L630-Q635 HydrophobicContact CD2-CB 4.1Å; L630-Q635 PolarHBondContact O-N 3.33Å; L630-Q635 VanDerWaalsContact O-N 3.11Å; S633-Q635 PolarHBondContact O-N 3.21Å; S633-Q635 WeakPolarHBondContact OG-CB 3.49Å; S633-Q635 WeakPolarHBondContact OG-CG 3.27Å; S633-Q635 PolarHBondContact OG-N 3.04Å
636	L	88.7	Confident	91.2	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	35%	0.354	C	S	.	.	S	Bend	trans	-124.6	113.1	177.2	-169.6	67.4	0	0	0	110.1	V627 L630 T631 G634 V639 M720 L723 R724	V627-L636 HydrophobicContact CG1-CD2 4.06Å; L630-L636 HydrophobicContact CB-CB 3.77Å; L630-L636 HydrophobicContact CB-CD2 4.33Å; L630-L636 PolarHBondContact O-N 3.16Å; T631-L636 WeakPolarHBondContact CA-O 3.43Å; G634-L636 VanDerWaalsContact C-N 3.28Å; G634-L636 PolarHBondContact O-N 2.99Å; L636-V639 HydrophobicContact CD1-CB 4.45Å; L636-V639 HydrophobicContact CD1-CG2 3.85Å; L636-V639 HydrophobicContact CD2-CB 3.75Å; L636-V639 HydrophobicContact CD2-CG1 3.97Å; L636-V639 HydrophobicContact CD2-CG2 4.06Å; L636-V639 HydrophobicContact CG-CB 3.87Å; L636-V639 HydrophobicContact CG-CG2 3.79Å; L636-M720 HydrophobicContact CB-SD 4.49Å; L636-M720 HydrophobicContact CD1-CB 4.36Å; L636-M720 HydrophobicContact CD1-SD 4.16Å; L636-L723 HydrophobicContact CD1-CD2 4.28Å; L636-L723 HydrophobicContact CD2-CD2 3.61Å; L636-R724 HydrophobicContact CD1-CG 4.11Å
637	K	87.3	Confident	91.3	Very high	142 Å²	142	68 Å²	68	62%	0.617	35%	0.346	S	S	*	.			trans	-98.5	146.2	177.5	-61.8	-175.6	-178.3	-179.8	0	111.1	V639 R724	K637-V639 VanDerWaalsContact C-N 3.28Å; K637-V639 PolarHBondContact O-N 2.95Å; K637-R724 PolarHBondContact O-NH2 3.48Å
638	D	85.8	Confident	91.4	Very high	164 Å²	164	69.9 Å²	69.9	88%	0.877	35%	0.353	S	S	*	.	S	Bend	trans	59.1	29.9	170	-46.9	-48	0	0	0	115.7
639	V	87.8	Confident	91.5	Very high	26 Å²	26	68.6 Å²	68.6	16%	0.158	35%	0.35	C	S	.	.			trans	-120.7	129.9	176.1	-178.1	0	0	0	0	109.9	V627 L636 K637 R724 L727	V627-V639 HydrophobicContact CG1-CG1 4.16Å; L636-V639 HydrophobicContact CD1-CB 4.45Å; L636-V639 HydrophobicContact CD1-CG2 3.85Å; L636-V639 HydrophobicContact CD2-CB 3.75Å; L636-V639 HydrophobicContact CD2-CG1 3.97Å; L636-V639 HydrophobicContact CD2-CG2 4.06Å; L636-V639 HydrophobicContact CG-CB 3.87Å; L636-V639 HydrophobicContact CG-CG2 3.79Å; K637-V639 VanDerWaalsContact C-N 3.28Å; K637-V639 PolarHBondContact O-N 2.95Å; V639-R724 HydrophobicContact CG2-CG 3.68Å; V639-L727 HydrophobicContact CG1-CD2 3.5Å
640	S	88.3	Confident	91.5	Very high	57 Å²	57	63.4 Å²	63.4	40%	0.399	33%	0.326	S	S	.	.			trans	-119.8	131	175.4	-179.9	0	0	0	0	110.8	N642	S640-N642 PolarHBondContact O-N 2.88Å; S640-N642 WeakPolarHBondContact OG-CB 3.44Å; S640-N642 PolarHBondContact OG-N 3.48Å; S640-N642 PolarHBondContact OG-ND2 3.16Å; S640-N642 VanDerWaalsContact OG-ND2 3.15Å
641	P	88.1	Confident	91.6	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.019	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	4.8	174.5	34.7	-34.4	0	0	0	112.8	Y624 V627 N628 W643 L644 N645	Y624-P641 HydrophobicContact CD2-CB 3.63Å; Y624-P641 HydrophobicContact CD2-CG 3.45Å; Y624-P641 VanDerWaalsContact CD2-CG 3.45Å; Y624-P641 HydrophobicContact CE2-CB 4.2Å; Y624-P641 HydrophobicContact CE2-CG 3.57Å; Y624-P641 HydrophobicContact CG-CB 4.33Å; Y624-P641 HydrophobicContact CG-CG 4.15Å; V627-P641 HydrophobicContact CB-CB 4.08Å; V627-P641 HydrophobicContact CB-CG 4.2Å; V627-P641 HydrophobicContact CG1-CB 4.02Å; V627-P641 HydrophobicContact CG1-CG 3.95Å; V627-P641 HydrophobicContact CG2-CB 4.47Å; N628-P641 WeakPolarHBondContact OD1-CG 3.43Å; P641-W643 VanDerWaalsContact C-N 3.34Å; P641-W643 PolarHBondContact O-N 2.97Å; P641-L644 PolarHBondContact O-N 3.45Å; P641-N645 PolarHBondContact O-N 3.06Å
642	N	92.2	Very high	91.8	Very high	79 Å²	79	64.1 Å²	64.1	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-40.4	-175	-73.8	-14.4	0	0	0	112.9	S640 L644 N645 R646	S640-N642 PolarHBondContact O-N 2.88Å; S640-N642 WeakPolarHBondContact OG-CB 3.44Å; S640-N642 PolarHBondContact OG-N 3.48Å; S640-N642 PolarHBondContact OG-ND2 3.16Å; S640-N642 VanDerWaalsContact OG-ND2 3.15Å; N642-L644 PolarHBondContact O-N 3.39Å; N642-N645 PolarHBondContact O-N 2.74Å; N642-N645 VanDerWaalsContact O-N 3.15Å; N642-R646 WeakPolarHBondContact O-CG 3.23Å; N642-R646 PolarHBondContact O-N 2.84Å
643	W	92.9	Very high	92	Very high	138 Å²	138	62.3 Å²	62.3	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-40.3	179.6	-74.3	87.4	0	0	0	112.4	P641 N645 R646 A647 T731 I752	P641-W643 VanDerWaalsContact C-N 3.34Å; P641-W643 PolarHBondContact O-N 2.97Å; W643-N645 VanDerWaalsContact C-N 3.29Å; W643-N645 PolarHBondContact O-N 2.84Å; W643-R646 PolarHBondContact O-N 3.49Å; W643-A647 PolarHBondContact O-N 3.44Å; W643-T731 HydrophobicContact CB-CG2 3.74Å; W643-I752 HydrophobicContact CD2-CG2 4.44Å; W643-I752 HydrophobicContact CE3-CB 4.24Å; W643-I752 HydrophobicContact CE3-CG2 3.32Å; W643-I752 VanDerWaalsContact CH2-C 3.48Å; W643-I752 HydrophobicContact CH2-CB 4.17Å; W643-I752 HydrophobicContact CH2-CG2 4.08Å; W643-I752 WeakPolarHBondContact CH2-O 3.44Å; W643-I752 HydrophobicContact CZ3-CB 3.51Å; W643-I752 HydrophobicContact CZ3-CG2 3.12Å
644	L	94.9	Very high	92	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-39.1	174.3	-176.3	64.1	0	0	0	111.5	V620 V623 P641 N642 A647 R648 L711 L727 L734	V620-L644 HydrophobicContact CB-CD2 4.5Å; V620-L644 HydrophobicContact CG1-CD2 4.07Å; V620-L644 HydrophobicContact CG1-CG 3.92Å; V620-L644 HydrophobicContact CG2-CD1 4.26Å; V620-L644 HydrophobicContact CG2-CD2 4.24Å; V620-L644 HydrophobicContact CG2-CG 4.03Å; V623-L644 HydrophobicContact CB-CD2 4.06Å; V623-L644 HydrophobicContact CG1-CD2 3.78Å; P641-L644 PolarHBondContact O-N 3.45Å; N642-L644 PolarHBondContact O-N 3.39Å; L644-A647 PolarHBondContact O-N 3Å; L644-R648 PolarHBondContact O-N 3.23Å; L644-L711 HydrophobicContact CD1-CD2 4.34Å; L644-L711 HydrophobicContact CD2-CD2 4.25Å; L644-L727 HydrophobicContact CB-CD1 4.35Å; L644-L727 HydrophobicContact CD2-CD1 3.88Å; L644-L734 HydrophobicContact CD1-CD2 4.19Å
645	N	94.7	Very high	92.3	Very high	56 Å²	56	57.8 Å²	57.8	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-70.3	-34.2	176.5	-164.3	21.3	0	0	0	112.4	P641 N642 W643 R648 G649	P641-N645 PolarHBondContact O-N 3.06Å; N642-N645 PolarHBondContact O-N 2.74Å; N642-N645 VanDerWaalsContact O-N 3.15Å; W643-N645 VanDerWaalsContact C-N 3.29Å; W643-N645 PolarHBondContact O-N 2.84Å; N645-R648 WeakPolarHBondContact O-CB 3.41Å; N645-R648 PolarHBondContact OD1-NE 3.43Å; N645-R648 PolarHBondContact OD1-NH2 3.42Å; N645-G649 PolarHBondContact O-N 3.07Å; N645-G649 VanDerWaalsContact O-N 3.09Å
646	R	94.7	Very high	92.5	Very high	136 Å²	136	54.6 Å²	54.6	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-47.9	171	-71.7	-176.2	-176	-141.6	-1.9	110.9	N642 W643 R648 G649 S650 I752	N642-R646 WeakPolarHBondContact O-CG 3.23Å; N642-R646 PolarHBondContact O-N 2.84Å; W643-R646 PolarHBondContact O-N 3.49Å; R646-R648 VanDerWaalsContact C-N 3.31Å; R646-R648 PolarHBondContact O-N 2.86Å; R646-G649 CarbonylContact O-C 3.55Å; R646-G649 VanDerWaalsContact O-CA 3.29Å; R646-G649 WeakPolarHBondContact O-CA 3.28Å; R646-G649 PolarHBondContact O-N 2.89Å; R646-S650 PolarHBondContact O-N 3.43Å; R646-S650 PolarHBondContact O-OG 3.44Å; R646-S650 VanDerWaalsContact O-OG 3.13Å; R646-I752 HydrophobicContact CB-CG2 4.37Å; R646-I752 WeakPolarHBondContact CD-OXT 3.43Å; R646-I752 PolarHBondContact NH1-OXT 2.99Å
647	A	94.9	Very high	92.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-40.8	176.1	0	0	0	0	0	112.7	W643 L644 G649 S650 Y651 T731 L734 Q735	W643-A647 PolarHBondContact O-N 3.44Å; L644-A647 PolarHBondContact O-N 3Å; A647-G649 VanDerWaalsContact C-N 3.31Å; A647-G649 PolarHBondContact O-N 3.41Å; A647-S650 WeakPolarHBondContact O-CB 3.41Å; A647-S650 PolarHBondContact O-N 2.81Å; A647-Y651 PolarHBondContact O-N 3.35Å; A647-T731 HydrophobicContact CB-CG2 4.4Å; A647-L734 HydrophobicContact CB-CB 4.17Å; A647-L734 HydrophobicContact CB-CD2 4.1Å; A647-L734 HydrophobicContact CB-CG 4.04Å; A647-Q735 HydrophobicContact CB-CB 4.07Å
648	R	95.9	Very high	93.1	Very high	41 Å²	41	50 Å²	50	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-42.1	170.1	179.4	-169.9	74.7	90.8	7.9	112.3	Y613 I616 T617 V620 L644 N645 R646 Y651 K652 L734	Y613-R648 HydrophobicContact CE2-CG 4.27Å; Y613-R648 PolarHBondContact OH-NH1 2.92Å; I616-R648 HydrophobicContact CG2-CB 4.38Å; I616-R648 HydrophobicContact CG2-CG 3.97Å; T617-R648 PolarHBondContact OG1-NH1 3.15Å; V620-R648 HydrophobicContact CG1-CB 4.46Å; V620-R648 HydrophobicContact CG2-CB 4.39Å; L644-R648 PolarHBondContact O-N 3.23Å; N645-R648 WeakPolarHBondContact O-CB 3.41Å; N645-R648 PolarHBondContact OD1-NE 3.43Å; N645-R648 PolarHBondContact OD1-NH2 3.42Å; R646-R648 VanDerWaalsContact C-N 3.31Å; R646-R648 PolarHBondContact O-N 2.86Å; R648-Y651 PolarHBondContact O-N 2.87Å; R648-K652 PolarHBondContact O-N 3.48Å; R648-K652 VanDerWaalsContact O-N 3.16Å; R648-L734 HydrophobicContact CB-CD2 4.18Å
649	G	94.9	Very high	93.4	Very high	16 Å²	16	45.4 Å²	45.4	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-42.1	174.8	0	0	0	0	0	112.7	N645 R646 A647 K652 R653	N645-G649 PolarHBondContact O-N 3.07Å; N645-G649 VanDerWaalsContact O-N 3.09Å; R646-G649 CarbonylContact O-C 3.55Å; R646-G649 VanDerWaalsContact O-CA 3.29Å; R646-G649 WeakPolarHBondContact O-CA 3.28Å; R646-G649 PolarHBondContact O-N 2.89Å; A647-G649 VanDerWaalsContact C-N 3.31Å; A647-G649 PolarHBondContact O-N 3.41Å; G649-K652 WeakPolarHBondContact O-CB 3.33Å; G649-K652 PolarHBondContact O-N 2.75Å; G649-R653 PolarHBondContact O-N 3.04Å
650	S	94.6	Very high	93.7	Very high	8 Å²	8	47.3 Å²	47.3	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-45.4	174.6	-51.8	0	0	0	0	111.2	R646 A647 K652 R653 A654 Q735	R646-S650 PolarHBondContact O-N 3.43Å; R646-S650 PolarHBondContact O-OG 3.44Å; R646-S650 VanDerWaalsContact O-OG 3.13Å; A647-S650 WeakPolarHBondContact O-CB 3.41Å; A647-S650 PolarHBondContact O-N 2.81Å; S650-K652 VanDerWaalsContact C-N 3.32Å; S650-K652 PolarHBondContact O-N 3.18Å; S650-R653 PolarHBondContact O-N 3.34Å; S650-R653 PolarHBondContact OG-NH2 3.34Å; S650-A654 WeakPolarHBondContact O-CB 3.37Å; S650-A654 PolarHBondContact O-N 3.15Å; S650-Q735 VanDerWaalsContact CB-OE1 3.32Å; S650-Q735 PolarHBondContact OG-OE1 3.02Å
651	Y	95.3	Very high	93.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.9	-46.2	174.6	-179.4	-83.6	0	0	0	111.5	V609 Y612 I616 A647 R648 R653 A654 A655 V683 L734 M741	V609-Y651 PolarHBondContact O-OH 3.26Å; Y612-Y651 WeakPolarHBondContact CB-OH 3.46Å; I616-Y651 HydrophobicContact CD1-CD1 3.59Å; I616-Y651 HydrophobicContact CD1-CD2 3.83Å; I616-Y651 HydrophobicContact CD1-CE1 3.65Å; I616-Y651 HydrophobicContact CD1-CE2 3.86Å; I616-Y651 HydrophobicContact CD1-CG 3.72Å; A647-Y651 PolarHBondContact O-N 3.35Å; R648-Y651 PolarHBondContact O-N 2.87Å; Y651-R653 PolarHBondContact O-N 3.16Å; Y651-A654 PolarHBondContact O-N 3.25Å; Y651-A655 HydrophobicContact CE1-CB 4.33Å; Y651-A655 PolarHBondContact O-N 3.42Å; Y651-V683 HydrophobicContact CE2-CG1 4.33Å; Y651-L734 HydrophobicContact CD2-CD1 4.32Å; Y651-L734 HydrophobicContact CG-CD1 4.47Å; Y651-M741 HydrophobicContact CD2-SD 3.96Å; Y651-M741 HydrophobicContact CE2-CE 4.36Å; Y651-M741 HydrophobicContact CE2-SD 3.64Å
652	K	95.6	Very high	94.2	Very high	72 Å²	72	47.6 Å²	47.6	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-58	-50.1	177.2	179	169.1	171.7	41.2	0	111.6	Y613 R648 G649 S650 A654 A655 D656	Y613-K652 HydrophobicContact CD1-CD 4.36Å; Y613-K652 HydrophobicContact CD2-CB 3.66Å; Y613-K652 HydrophobicContact CD2-CD 4.13Å; Y613-K652 HydrophobicContact CD2-CG 4.13Å; Y613-K652 HydrophobicContact CE1-CD 3.92Å; Y613-K652 HydrophobicContact CE2-CB 3.67Å; Y613-K652 HydrophobicContact CE2-CD 3.67Å; Y613-K652 HydrophobicContact CE2-CG 4.08Å; Y613-K652 HydrophobicContact CG-CB 4.44Å; Y613-K652 HydrophobicContact CG-CD 4.45Å; Y613-K652 HydrophobicContact CG-CG 4.5Å; R648-K652 PolarHBondContact O-N 3.48Å; R648-K652 VanDerWaalsContact O-N 3.16Å; G649-K652 WeakPolarHBondContact O-CB 3.33Å; G649-K652 PolarHBondContact O-N 2.75Å; S650-K652 VanDerWaalsContact C-N 3.32Å; S650-K652 PolarHBondContact O-N 3.18Å; K652-A654 VanDerWaalsContact C-N 3.29Å; K652-A654 PolarHBondContact O-N 2.98Å; K652-A655 PolarHBondContact O-N 2.97Å; K652-D656 WeakPolarHBondContact CE-OD2 3.38Å; K652-D656 WeakPolarHBondContact CG-OD2 3.41Å; K652-D656 IonicContact NZ-OD1 3.17Å; K652-D656 PolarHBondContact NZ-OD1 3.15Å; K652-D656 IonicContact NZ-OD2 2.77Å; K652-D656 PolarHBondContact NZ-OD2 3.03Å; K652-D656 WeakPolarHBondContact O-CB 3.39Å; K652-D656 VanDerWaalsContact O-CG 3.24Å; K652-D656 PolarHBondContact O-N 3.14Å
653	R	94.3	Very high	94.2	Very high	127 Å²	127	47.8 Å²	47.8	48%	0.479	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-41.4	179.5	-70.8	-168.8	-66.1	-80	4.4	111.4	G649 S650 Y651 D656 A657 D749	G649-R653 PolarHBondContact O-N 3.04Å; S650-R653 PolarHBondContact O-N 3.34Å; S650-R653 PolarHBondContact OG-NH2 3.34Å; Y651-R653 PolarHBondContact O-N 3.16Å; R653-D656 PolarHBondContact O-N 2.6Å; R653-A657 VanDerWaalsContact O-CB 3.29Å; R653-A657 WeakPolarHBondContact O-CB 3.38Å; R653-A657 PolarHBondContact O-N 2.63Å; R653-D749 IonicContact CZ-OD2 3.54Å; R653-D749 IonicContact NE-OD2 3.66Å; R653-D749 IonicContact NH2-OD2 2.71Å; R653-D749 PolarHBondContact NH2-OD2 2.91Å
654	A	93.9	Very high	94.3	Very high	14 Å²	14	47.9 Å²	47.9	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-42.1	177.3	0	0	0	0	0	112.6	S650 Y651 K652 A657 I658 A738 M741	S650-A654 WeakPolarHBondContact O-CB 3.37Å; S650-A654 PolarHBondContact O-N 3.15Å; Y651-A654 PolarHBondContact O-N 3.25Å; K652-A654 VanDerWaalsContact C-N 3.29Å; K652-A654 PolarHBondContact O-N 2.98Å; A654-A657 PolarHBondContact O-N 3.34Å; A654-I658 PolarHBondContact O-N 3.4Å; A654-A738 HydrophobicContact CB-CB 4.43Å; A654-M741 HydrophobicContact CB-CB 3.9Å; A654-M741 HydrophobicContact CB-CE 4.15Å; A654-M741 HydrophobicContact CB-SD 4.16Å
655	A	94.6	Very high	94.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-44.6	174.8	0	0	0	0	0	112.2	V609 Y651 K652 A657 I658 T659 M741	V609-A655 HydrophobicContact CG2-CB 4.12Å; Y651-A655 HydrophobicContact CE1-CB 4.33Å; Y651-A655 PolarHBondContact O-N 3.42Å; K652-A655 PolarHBondContact O-N 2.97Å; A655-A657 VanDerWaalsContact C-N 3.27Å; A655-A657 PolarHBondContact O-N 2.74Å; A655-I658 PolarHBondContact O-N 2.69Å; A655-T659 PolarHBondContact O-N 3.05Å; A655-T659 PolarHBondContact O-OG1 2.99Å; A655-T659 VanDerWaalsContact O-OG1 3.07Å; A655-M741 HydrophobicContact CB-CE 3.99Å
656	D	94.3	Very high	94	Very high	63 Å²	63	52 Å²	52	34%	0.337	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-34.7	176.1	-66	-20.7	0	0	0	110.9	K652 R653 T659 S660	K652-D656 WeakPolarHBondContact CE-OD2 3.38Å; K652-D656 WeakPolarHBondContact CG-OD2 3.41Å; K652-D656 IonicContact NZ-OD1 3.17Å; K652-D656 PolarHBondContact NZ-OD1 3.15Å; K652-D656 IonicContact NZ-OD2 2.77Å; K652-D656 PolarHBondContact NZ-OD2 3.03Å; K652-D656 WeakPolarHBondContact O-CB 3.39Å; K652-D656 VanDerWaalsContact O-CG 3.24Å; K652-D656 PolarHBondContact O-N 3.14Å; R653-D656 PolarHBondContact O-N 2.6Å; D656-T659 PolarHBondContact O-N 3.13Å; D656-S660 WeakPolarHBondContact O-CB 3.31Å; D656-S660 PolarHBondContact O-N 3.03Å; D656-S660 PolarHBondContact O-OG 3.18Å
657	A	93.4	Very high	93.7	Very high	46 Å²	46	48.4 Å²	48.4	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-69.2	-38.3	175.4	0	0	0	0	0	112.9	R653 A654 A655 S660 A661	R653-A657 VanDerWaalsContact O-CB 3.29Å; R653-A657 WeakPolarHBondContact O-CB 3.38Å; R653-A657 PolarHBondContact O-N 2.63Å; A654-A657 PolarHBondContact O-N 3.34Å; A655-A657 VanDerWaalsContact C-N 3.27Å; A655-A657 PolarHBondContact O-N 2.74Å; A657-S660 PolarHBondContact O-N 3.44Å; A657-A661 WeakPolarHBondContact O-CB 3.3Å; A657-A661 PolarHBondContact O-N 3.32Å
658	I	93.6	Very high	93.4	Very high	1 Å²	1	53 Å²	53	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-46.6	171.5	-71.2	175.2	0	0	0	109.9	V609 A654 A655 S660 A661 I662 R679 I680 M741	V609-I658 HydrophobicContact CG2-CB 4.38Å; V609-I658 HydrophobicContact CG2-CG2 4.26Å; A654-I658 PolarHBondContact O-N 3.4Å; A655-I658 PolarHBondContact O-N 2.69Å; I658-S660 VanDerWaalsContact C-N 3.31Å; I658-S660 PolarHBondContact O-N 3.39Å; I658-A661 PolarHBondContact O-N 3.28Å; I658-A661 VanDerWaalsContact O-N 3.14Å; I658-I662 HydrophobicContact CG2-CD1 3.78Å; I658-I662 HydrophobicContact CG2-CG1 4.44Å; I658-I662 WeakPolarHBondContact O-CG1 3.5Å; I658-I662 PolarHBondContact O-N 2.89Å; I658-R679 HydrophobicContact CD1-CB 4.4Å; I658-I680 HydrophobicContact CG2-CG1 4.16Å; I658-M741 HydrophobicContact CD1-CB 4.13Å; I658-M741 HydrophobicContact CD1-CE 3.64Å; I658-M741 HydrophobicContact CD1-CG 4.36Å
659	T	92.8	Very high	93.2	Very high	69 Å²	69	54.2 Å²	54.2	42%	0.423	32%	0.317	S	S	.	.	H	α-helix	trans	-59	-44.2	177.8	-55.7	0	0	0	0	111.4	A655 D656 I662 A663	A655-T659 PolarHBondContact O-N 3.05Å; A655-T659 PolarHBondContact O-OG1 2.99Å; A655-T659 VanDerWaalsContact O-OG1 3.07Å; D656-T659 PolarHBondContact O-N 3.13Å; T659-I662 PolarHBondContact O-N 3.33Å; T659-A663 PolarHBondContact O-N 3.43Å; T659-A663 VanDerWaalsContact O-N 3.15Å
660	S	93.7	Very high	93	Very high	65 Å²	65	57.4 Å²	57.4	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-39.1	175.9	-56.6	0	0	0	0	112	D656 A657 I658 A663 N664	D656-S660 WeakPolarHBondContact O-CB 3.31Å; D656-S660 PolarHBondContact O-N 3.03Å; D656-S660 PolarHBondContact O-OG 3.18Å; A657-S660 PolarHBondContact O-N 3.44Å; I658-S660 VanDerWaalsContact C-N 3.31Å; I658-S660 PolarHBondContact O-N 3.39Å; S660-A663 PolarHBondContact O-N 3.33Å; S660-N664 PolarHBondContact O-N 2.93Å; S660-N664 PolarHBondContact O-ND2 3.45Å
661	A	92.8	Very high	92.9	Very high	24 Å²	24	63.8 Å²	63.8	20%	0.198	36%	0.359	C	S	.	.	H	α-helix	trans	-64.7	-42.9	176.6	0	0	0	0	0	111.4	A657 I658 A663 N664 T665 L676	A657-A661 WeakPolarHBondContact O-CB 3.3Å; A657-A661 PolarHBondContact O-N 3.32Å; I658-A661 PolarHBondContact O-N 3.28Å; I658-A661 VanDerWaalsContact O-N 3.14Å; A661-A663 VanDerWaalsContact C-N 3.29Å; A661-A663 PolarHBondContact O-N 3.32Å; A661-N664 PolarHBondContact O-N 3.11Å; A661-N664 VanDerWaalsContact O-N 3.17Å; A661-T665 VanDerWaalsContact O-CB 3.26Å; A661-T665 WeakPolarHBondContact O-CB 3.41Å; A661-T665 PolarHBondContact O-N 3.27Å; A661-T665 PolarHBondContact O-OG1 2.89Å; A661-L676 HydrophobicContact CB-CD2 3.81Å
662	I	93.4	Very high	92.7	Very high	42 Å²	42	65.8 Å²	65.8	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-43.6	175.2	-68.6	158.9	0	0	0	111	L604 I658 T659 N664 L676	L604-I662 HydrophobicContact CD1-CD1 4.35Å; L604-I662 HydrophobicContact CD1-CG1 4.16Å; L604-I662 HydrophobicContact CD2-CD1 3.76Å; L604-I662 HydrophobicContact CD2-CG1 4.04Å; L604-I662 HydrophobicContact CD2-CG2 3.88Å; I658-I662 HydrophobicContact CG2-CD1 3.78Å; I658-I662 HydrophobicContact CG2-CG1 4.44Å; I658-I662 WeakPolarHBondContact O-CG1 3.5Å; I658-I662 PolarHBondContact O-N 2.89Å; T659-I662 PolarHBondContact O-N 3.33Å; I662-N664 VanDerWaalsContact C-N 3.29Å; I662-N664 PolarHBondContact O-N 2.97Å; I662-L676 HydrophobicContact CG1-CD1 4.26Å; I662-L676 HydrophobicContact CG1-CD2 4.5Å
663	A	93.7	Very high	92.6	Very high	83 Å²	83	62.6 Å²	62.6	69%	0.686	36%	0.36	S	S	*	.	H	α-helix	trans	-67.7	-26.6	-179.6	0	0	0	0	0	113.9	T659 S660 A661	T659-A663 PolarHBondContact O-N 3.43Å; T659-A663 VanDerWaalsContact O-N 3.15Å; S660-A663 PolarHBondContact O-N 3.33Å; A661-A663 VanDerWaalsContact C-N 3.29Å; A661-A663 PolarHBondContact O-N 3.32Å
664	N	93.9	Very high	92.6	Very high	141 Å²	141	60.1 Å²	60.1	75%	0.754	35%	0.351	S	S	*	.	H	α-helix	trans	-105	1.2	-175.3	-66.1	-56.7	0	0	0	113.9	S660 A661 I662	S660-N664 PolarHBondContact O-N 2.93Å; S660-N664 PolarHBondContact O-ND2 3.45Å; A661-N664 PolarHBondContact O-N 3.11Å; A661-N664 VanDerWaalsContact O-N 3.17Å; I662-N664 VanDerWaalsContact C-N 3.29Å; I662-N664 PolarHBondContact O-N 2.97Å
665	T	92.9	Very high	92.6	Very high	42 Å²	42	63.9 Å²	63.9	26%	0.258	37%	0.368	S	S	.	.	S	Bend	trans	-104.2	138.6	-177.9	-59.3	0	0	0	0	110.5	A661 L667 S672 L676	A661-T665 VanDerWaalsContact O-CB 3.26Å; A661-T665 WeakPolarHBondContact O-CB 3.41Å; A661-T665 PolarHBondContact O-N 3.27Å; A661-T665 PolarHBondContact O-OG1 2.89Å; T665-L667 PolarHBondContact O-N 3.44Å; T665-L667 VanDerWaalsContact O-N 3.17Å; T665-S672 VanDerWaalsContact CG2-CB 3.49Å; T665-L676 HydrophobicContact CG2-CD1 3.88Å
666	D	91.5	Very high	92.5	Very high	101 Å²	101	64.1 Å²	64.1	54%	0.54	37%	0.369	S	S	.	.			trans	-69.9	108.8	169	-177	-1.9	0	0	0	110	T668 D669	D666-T668 PolarHBondContact O-N 3.31Å; D666-T668 WeakPolarHBondContact OD1-CB 3.37Å; D666-T668 PolarHBondContact OD1-N 3.09Å; D666-T668 PolarHBondContact OD1-OG1 3.11Å; D666-T668 PolarHBondContact OD2-OG1 3.37Å; D666-T668 VanDerWaalsContact OD2-OG1 3.1Å; D666-D669 PolarHBondContact O-N 3.23Å
667	L	88.3	Confident	92.6	Very high	60 Å²	60	61.4 Å²	61.4	31%	0.314	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.4	-178.7	-58.3	-179.9	0	0	0	113.7	H603 T665 C673 L676	H603-L667 PolarHBondContact CD2-O 3.32Å; H603-L667 VanDerWaalsContact CG-O 3.31Å; T665-L667 PolarHBondContact O-N 3.44Å; T665-L667 VanDerWaalsContact O-N 3.17Å; L667-C673 WeakPolarHBondContact CA-SG 3.38Å; L667-C673 PolarHBondContact O-SG 3.13Å; L667-L676 HydrophobicContact CD2-CD1 4.31Å
668	T	87.6	Confident	92.6	Very high	98 Å²	98	61.4 Å²	61.4	60%	0.601	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.7	172.5	71.4	0	0	0	0	112.2	D666 N670	D666-T668 PolarHBondContact O-N 3.31Å; D666-T668 WeakPolarHBondContact OD1-CB 3.37Å; D666-T668 PolarHBondContact OD1-N 3.09Å; D666-T668 PolarHBondContact OD1-OG1 3.11Å; D666-T668 PolarHBondContact OD2-OG1 3.37Å; D666-T668 VanDerWaalsContact OD2-OG1 3.1Å; T668-N670 PolarHBondContact O-N 2.94Å
669	D	92.9	Very high	92.6	Very high	65 Å²	65	62.4 Å²	62.4	35%	0.348	35%	0.352	S	S	.	.			trans	-77.5	114.9	171.6	176.4	36.4	0	0	0	111	D666 E671 S672 C673	D666-D669 PolarHBondContact O-N 3.23Å; D669-E671 VanDerWaalsContact C-N 3.3Å; D669-E671 PolarHBondContact O-N 2.91Å; D669-E671 PolarHBondContact OD1-N 2.88Å; D669-S672 WeakPolarHBondContact OD2-CB 3.44Å; D669-S672 PolarHBondContact OD2-N 2.87Å; D669-S672 PolarHBondContact OD2-OG 3.46Å; D669-C673 WeakPolarHBondContact O-CB 3.46Å; D669-C673 PolarHBondContact O-N 3.33Å
670	N	90.2	Very high	92.8	Very high	84 Å²	84	59.2 Å²	59.2	45%	0.449	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-35.5	-176.8	-68.5	-37.8	0	0	0	112.2	T388 T668 R674	T388-N670 HydrophobicContact CG2-CB 4.38Å; T668-N670 PolarHBondContact O-N 2.94Å; N670-R674 VanDerWaalsContact O-CB 3.29Å; N670-R674 WeakPolarHBondContact O-CB 3.3Å; N670-R674 PolarHBondContact O-N 2.83Å
671	E	91.9	Very high	92.8	Very high	142 Å²	142	56.7 Å²	56.7	66%	0.664	31%	0.313	S	S	*	.	H	α-helix	trans	-71.2	-48.5	-177.6	-173.3	172.6	-178.3	0	0	111	D669 C673 R674 I675	D669-E671 VanDerWaalsContact C-N 3.3Å; D669-E671 PolarHBondContact O-N 2.91Å; D669-E671 PolarHBondContact OD1-N 2.88Å; E671-C673 VanDerWaalsContact C-N 3.33Å; E671-C673 PolarHBondContact O-N 3.26Å; E671-R674 WeakPolarHBondContact O-CB 3.48Å; E671-R674 PolarHBondContact O-N 2.94Å; E671-R674 VanDerWaalsContact O-N 3.1Å; E671-I675 HydrophobicContact CG-CD1 4.35Å; E671-I675 WeakPolarHBondContact O-CG1 3.45Å; E671-I675 PolarHBondContact O-N 3.44Å
672	S	92.2	Very high	92.8	Very high	42 Å²	42	60.3 Å²	60.3	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-42.7	175.6	-62.3	0	0	0	0	112.1	T665 D669 R674 I675 L676	T665-S672 VanDerWaalsContact CG2-CB 3.49Å; D669-S672 WeakPolarHBondContact OD2-CB 3.44Å; D669-S672 PolarHBondContact OD2-N 2.87Å; D669-S672 PolarHBondContact OD2-OG 3.46Å; S672-R674 VanDerWaalsContact C-N 3.33Å; S672-R674 PolarHBondContact O-N 2.89Å; S672-I675 PolarHBondContact O-N 3.4Å; S672-L676 WeakPolarHBondContact O-CG 3.09Å; S672-L676 PolarHBondContact O-N 3.3Å; S672-L676 VanDerWaalsContact O-N 3.09Å
673	C	92.8	Very high	92.9	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.034	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-42.3	173.2	-85	0	0	0	0	112.6	L667 D669 E671 L676 N677	L667-C673 WeakPolarHBondContact CA-SG 3.38Å; L667-C673 PolarHBondContact O-SG 3.13Å; D669-C673 WeakPolarHBondContact O-CB 3.46Å; D669-C673 PolarHBondContact O-N 3.33Å; E671-C673 VanDerWaalsContact C-N 3.33Å; E671-C673 PolarHBondContact O-N 3.26Å; C673-L676 PolarHBondContact O-N 3.38Å; C673-N677 WeakPolarHBondContact O-CB 3.28Å; C673-N677 PolarHBondContact O-N 2.86Å; C673-N677 PolarHBondContact O-ND2 3.3Å
674	R	93.7	Very high	93	Very high	75 Å²	75	54.4 Å²	54.4	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-43	179	-174.1	169.7	174.1	117.4	-0.3	111.5	D389 D391 N670 E671 S672 L676 N677 D678	D389-R674 IonicContact OD1-CZ 3.46Å; D389-R674 IonicContact OD1-NH1 2.73Å; D389-R674 PolarHBondContact OD1-NH1 3.21Å; D391-R674 IonicContact OD1-CZ 3.4Å; D391-R674 IonicContact OD1-NH1 3.16Å; D391-R674 PolarHBondContact OD1-NH1 3.4Å; D391-R674 IonicContact OD1-NH2 2.78Å; D391-R674 PolarHBondContact OD1-NH2 3.29Å; D391-R674 IonicContact OD2-CZ 3.71Å; D391-R674 IonicContact OD2-NH1 3.41Å; D391-R674 IonicContact OD2-NH2 2.74Å; D391-R674 PolarHBondContact OD2-NH2 3.27Å; N670-R674 VanDerWaalsContact O-CB 3.29Å; N670-R674 WeakPolarHBondContact O-CB 3.3Å; N670-R674 PolarHBondContact O-N 2.83Å; E671-R674 WeakPolarHBondContact O-CB 3.48Å; E671-R674 PolarHBondContact O-N 2.94Å; E671-R674 VanDerWaalsContact O-N 3.1Å; S672-R674 VanDerWaalsContact C-N 3.33Å; S672-R674 PolarHBondContact O-N 2.89Å; R674-L676 VanDerWaalsContact C-N 3.35Å; R674-L676 PolarHBondContact O-N 3.15Å; R674-N677 PolarHBondContact O-N 3.27Å; R674-D678 WeakPolarHBondContact O-CB 3.28Å; R674-D678 PolarHBondContact O-N 3.25Å
675	I	93.4	Very high	93.1	Very high	93 Å²	93	50.3 Å²	50.3	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175.4	-67.3	166.6	0	0	0	111.1	E671 S672 D678 R679	E671-I675 HydrophobicContact CG-CD1 4.35Å; E671-I675 WeakPolarHBondContact O-CG1 3.45Å; E671-I675 PolarHBondContact O-N 3.44Å; S672-I675 PolarHBondContact O-N 3.4Å; I675-D678 PolarHBondContact O-N 3.05Å; I675-R679 WeakPolarHBondContact O-CG 3.5Å; I675-R679 PolarHBondContact O-N 3.47Å; I675-R679 VanDerWaalsContact O-N 3.11Å
676	L	94.3	Very high	93.2	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.7	-71.4	173	0	0	0	112.1	L604 A661 I662 T665 L667 S672 C673 R674 D678 R679 I680	L604-L676 HydrophobicContact CD1-CB 4.23Å; A661-L676 HydrophobicContact CB-CD2 3.81Å; I662-L676 HydrophobicContact CG1-CD1 4.26Å; I662-L676 HydrophobicContact CG1-CD2 4.5Å; T665-L676 HydrophobicContact CG2-CD1 3.88Å; L667-L676 HydrophobicContact CD2-CD1 4.31Å; S672-L676 WeakPolarHBondContact O-CG 3.09Å; S672-L676 PolarHBondContact O-N 3.3Å; S672-L676 VanDerWaalsContact O-N 3.09Å; C673-L676 PolarHBondContact O-N 3.38Å; R674-L676 VanDerWaalsContact C-N 3.35Å; R674-L676 PolarHBondContact O-N 3.15Å; L676-D678 PolarHBondContact O-N 3.16Å; L676-R679 WeakPolarHBondContact O-CB 3.45Å; L676-R679 PolarHBondContact O-N 3.16Å; L676-I680 WeakPolarHBondContact O-CG1 3.46Å; L676-I680 PolarHBondContact O-N 3.28Å
677	N	95.7	Very high	93.4	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-42	177.8	-71.2	-39.5	0	0	0	111.8	R437 H603 L604 L605 C673 R674 R679 I680 M681	R437-N677 PolarHBondContact NH2-ND2 3.1Å; H603-N677 PolarHBondContact O-ND2 2.84Å; L604-N677 WeakPolarHBondContact CA-OD1 3.31Å; L605-N677 HydrophobicContact CD1-CB 3.95Å; L605-N677 HydrophobicContact CG-CB 4.23Å; L605-N677 WeakPolarHBondContact CG-OD1 3.38Å; L605-N677 PolarHBondContact N-OD1 3.1Å; C673-N677 WeakPolarHBondContact O-CB 3.28Å; C673-N677 PolarHBondContact O-N 2.86Å; C673-N677 PolarHBondContact O-ND2 3.3Å; R674-N677 PolarHBondContact O-N 3.27Å; N677-R679 VanDerWaalsContact C-N 3.3Å; N677-R679 PolarHBondContact O-N 3.3Å; N677-I680 WeakPolarHBondContact O-CB 3.49Å; N677-I680 PolarHBondContact O-N 3.15Å; N677-M681 VanDerWaalsContact O-CG 3.3Å; N677-M681 WeakPolarHBondContact O-CG 3.33Å; N677-M681 PolarHBondContact O-N 2.9Å
678	D	94.1	Very high	93.8	Very high	47 Å²	47	42.2 Å²	42.2	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-35.2	177.1	-75.5	-14.2	0	0	0	111.6	R392 R674 I675 L676 K682	R392-D678 IonicContact CZ-OD1 3.34Å; R392-D678 IonicContact NE-OD1 3.44Å; R392-D678 PolarHBondContact NE-OD1 2.94Å; R392-D678 VanDerWaalsContact NE-OD1 3.16Å; R392-D678 IonicContact NH2-OD1 2.74Å; R392-D678 PolarHBondContact NH2-OD1 3.25Å; R392-D678 IonicContact NH2-OD2 3.76Å; R392-D678 PolarHBondContact NH2-OD2 3.2Å; R674-D678 WeakPolarHBondContact O-CB 3.28Å; R674-D678 PolarHBondContact O-N 3.25Å; I675-D678 PolarHBondContact O-N 3.05Å; L676-D678 PolarHBondContact O-N 3.16Å; D678-K682 WeakPolarHBondContact O-CG 3.48Å; D678-K682 PolarHBondContact O-N 3.09Å
679	R	93.8	Very high	94.2	Very high	22 Å²	22	37.8 Å²	37.8	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-41.4	172.7	-70.5	171.5	67.3	-161.5	0.6	112.1	I658 I675 L676 N677 M741	I658-R679 HydrophobicContact CD1-CB 4.4Å; I675-R679 WeakPolarHBondContact O-CG 3.5Å; I675-R679 PolarHBondContact O-N 3.47Å; I675-R679 VanDerWaalsContact O-N 3.11Å; L676-R679 WeakPolarHBondContact O-CB 3.45Å; L676-R679 PolarHBondContact O-N 3.16Å; N677-R679 VanDerWaalsContact C-N 3.3Å; N677-R679 PolarHBondContact O-N 3.3Å; R679-M741 PolarHBondContact NE-O 3.16Å; R679-M741 PolarHBondContact NH2-O 3.46Å
680	I	95.3	Very high	94.2	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-44.9	176.8	-69.7	167.7	0	0	0	110.8	L604 L607 V609 I658 L676 N677 K682 V683	L604-I680 HydrophobicContact CD1-CD1 3.78Å; L604-I680 HydrophobicContact CG-CD1 4.24Å; L607-I680 HydrophobicContact CB-CG2 3.61Å; L607-I680 HydrophobicContact CD1-CG2 3.96Å; L607-I680 HydrophobicContact CG-CG2 4.32Å; V609-I680 HydrophobicContact CG1-CG1 4.29Å; V609-I680 HydrophobicContact CG1-CG2 4.27Å; I658-I680 HydrophobicContact CG2-CG1 4.16Å; L676-I680 WeakPolarHBondContact O-CG1 3.46Å; L676-I680 PolarHBondContact O-N 3.28Å; N677-I680 WeakPolarHBondContact O-CB 3.49Å; N677-I680 PolarHBondContact O-N 3.15Å; I680-K682 VanDerWaalsContact C-N 3.26Å; I680-K682 PolarHBondContact O-N 3.01Å; I680-V683 WeakPolarHBondContact O-CB 3.44Å; I680-V683 WeakPolarHBondContact O-CG2 3.21Å; I680-V683 PolarHBondContact O-N 3.48Å
681	M	94.3	Very high	94.4	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.059	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-31.8	-178.3	-74.2	176.1	60.4	0	0	113.3	D466 R467 F470 L605 N677 V683	D466-M681 WeakPolarHBondContact O-CE 3.47Å; R467-M681 WeakPolarHBondContact O-CE 3.47Å; F470-M681 HydrophobicContact CB-CE 3.83Å; F470-M681 HydrophobicContact CB-CG 3.77Å; F470-M681 HydrophobicContact CB-SD 3.81Å; L605-M681 HydrophobicContact CD1-CG 3.57Å; L605-M681 HydrophobicContact CD1-SD 3.92Å; N677-M681 VanDerWaalsContact O-CG 3.3Å; N677-M681 WeakPolarHBondContact O-CG 3.33Å; N677-M681 PolarHBondContact O-N 2.9Å; M681-V683 PolarHBondContact O-N 3.5Å
682	K	93.3	Very high	94.4	Very high	100 Å²	100	34.2 Å²	34.2	44%	0.435	17%	0.172	S	C	.	.	H	α-helix	trans	-66.6	-22.2	179.1	-73.9	171.9	-174	-179.7	0	114.1	D678 I680 E684 S686	D678-K682 WeakPolarHBondContact O-CG 3.48Å; D678-K682 PolarHBondContact O-N 3.09Å; I680-K682 VanDerWaalsContact C-N 3.26Å; I680-K682 PolarHBondContact O-N 3.01Å; K682-E684 PolarHBondContact O-N 3Å; K682-S686 VanDerWaalsContact O-CB 3.31Å; K682-S686 WeakPolarHBondContact O-CB 3.36Å; K682-S686 PolarHBondContact O-N 2.94Å; K682-S686 PolarHBondContact O-OG 3.41Å
683	V	95.4	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-50.1	-169.5	175	0	0	0	0	111.8	L492 V609 Y612 Y651 I680 M681 S686 M741	L492-V683 HydrophobicContact CD1-CB 4.43Å; L492-V683 HydrophobicContact CD1-CG1 4.41Å; L492-V683 HydrophobicContact CD2-CG1 4.27Å; V609-V683 HydrophobicContact CG1-CG2 3.82Å; Y612-V683 HydrophobicContact CD2-CG1 4.1Å; Y651-V683 HydrophobicContact CE2-CG1 4.33Å; I680-V683 WeakPolarHBondContact O-CB 3.44Å; I680-V683 WeakPolarHBondContact O-CG2 3.21Å; I680-V683 PolarHBondContact O-N 3.48Å; M681-V683 PolarHBondContact O-N 3.5Å; V683-S686 PolarHBondContact O-N 2.94Å; V683-M741 HydrophobicContact CG2-CE 3.98Å; V683-M741 HydrophobicContact CG2-CG 3.79Å; V683-M741 HydrophobicContact CG2-SD 3.97Å
684	E	96	Very high	93.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-48.7	-175.9	-166.9	77.1	-106.6	0	0	111.7	S490 L492 L540 G544 P546 Y612 K682 S686 L687 H701	S490-E684 VanDerWaalsContact CB-OE2 3.24Å; S490-E684 WeakPolarHBondContact CB-OE2 3.39Å; S490-E684 PolarHBondContact OG-OE2 2.86Å; L492-E684 HydrophobicContact CD1-CB 4.09Å; L492-E684 WeakPolarHBondContact CD1-OE2 3.42Å; L540-E684 HydrophobicContact CD1-CG 3.88Å; L540-E684 WeakPolarHBondContact CD1-OE1 3.34Å; G544-E684 VanDerWaalsContact C-CG 3.46Å; G544-E684 CarbonylContact O-C 3.59Å; G544-E684 VanDerWaalsContact O-CB 3.28Å; G544-E684 WeakPolarHBondContact O-CB 3.19Å; G544-E684 VanDerWaalsContact O-CG 3.28Å; G544-E684 WeakPolarHBondContact O-CG 3.24Å; P546-E684 HydrophobicContact CG-CB 3.84Å; P546-E684 HydrophobicContact CG-CG 4.02Å; Y612-E684 PolarHBondContact OH-OE1 3.25Å; Y612-E684 PolarHBondContact OH-OE2 3.48Å; K682-E684 PolarHBondContact O-N 3Å; E684-S686 VanDerWaalsContact C-N 3.3Å; E684-S686 PolarHBondContact O-N 2.62Å; E684-L687 WeakPolarHBondContact O-CB 3.32Å; E684-L687 PolarHBondContact O-N 2.87Å; E684-L687 VanDerWaalsContact O-N 3.12Å; E684-H701 IonicContact OE1-CD2 3.37Å; E684-H701 IonicContact OE1-NE2 2.81Å; E684-H701 PolarHBondContact OE1-NE2 2.86Å
685	H	95.1	Very high	93	Very high	55 Å²	55	34.5 Å²	34.5	26%	0.255	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-37	178.8	-173.4	82.5	0	0	0	112.6	D466 A543 G544 L687 L688	D466-H685 HydrophobicContact CB-CB 3.85Å; D466-H685 IonicContact OD2-CD2 3.52Å; D466-H685 IonicContact OD2-CG 3.84Å; A543-H685 PolarHBondContact O-ND1 2.98Å; G544-H685 PolarHBondContact O-N 3.43Å; G544-H685 VanDerWaalsContact O-N 3.13Å; H685-L687 PolarHBondContact O-N 3.41Å; H685-L687 VanDerWaalsContact O-N 3.15Å; H685-L688 WeakPolarHBondContact O-CB 3.19Å; H685-L688 WeakPolarHBondContact O-CG 3.32Å; H685-L688 PolarHBondContact O-N 3.1Å
686	S	95.3	Very high	92.4	Very high	24 Å²	24	37.1 Å²	37.1	17%	0.168	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.6	179.1	-50.6	0	0	0	0	113.8	K682 V683 E684 N733 A740	K682-S686 VanDerWaalsContact O-CB 3.31Å; K682-S686 WeakPolarHBondContact O-CB 3.36Å; K682-S686 PolarHBondContact O-N 2.94Å; K682-S686 PolarHBondContact O-OG 3.41Å; V683-S686 PolarHBondContact O-N 2.94Å; E684-S686 VanDerWaalsContact C-N 3.3Å; E684-S686 PolarHBondContact O-N 2.62Å; S686-N733 PolarHBondContact O-OD1 3.04Å; S686-N733 VanDerWaalsContact O-OD1 3.06Å; S686-A740 WeakPolarHBondContact OG-CB 3.41Å
687	L	96.3	Very high	92	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.9	172	-68.7	168.4	0	0	0	112.7	Y612 E684 H685 L702 C737	Y612-L687 HydrophobicContact CD1-CD1 4.11Å; Y612-L687 HydrophobicContact CD2-CD1 4.07Å; Y612-L687 HydrophobicContact CE1-CD1 3.81Å; Y612-L687 HydrophobicContact CE2-CD1 3.72Å; Y612-L687 HydrophobicContact CG-CD1 4.27Å; E684-L687 WeakPolarHBondContact O-CB 3.32Å; E684-L687 PolarHBondContact O-N 2.87Å; E684-L687 VanDerWaalsContact O-N 3.12Å; H685-L687 PolarHBondContact O-N 3.41Å; H685-L687 VanDerWaalsContact O-N 3.15Å; L687-L702 VanDerWaalsContact O-CB 3.3Å; L687-L702 WeakPolarHBondContact O-CB 3.2Å; L687-L702 PolarHBondContact O-N 3.4Å; L687-C737 HydrophobicContact CD2-CB 4.33Å
688	L	95.8	Very high	91.6	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.047	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-73.3	130.3	169.9	-58.7	-174.8	0	0	0	110	A541 F542 H685 P690 R700 H701	A541-L688 WeakPolarHBondContact O-CD2 3.48Å; F542-L688 WeakPolarHBondContact O-CD1 3.36Å; H685-L688 WeakPolarHBondContact O-CB 3.19Å; H685-L688 WeakPolarHBondContact O-CG 3.32Å; H685-L688 PolarHBondContact O-N 3.1Å; L688-P690 VanDerWaalsContact O-CD 3.23Å; L688-P690 WeakPolarHBondContact O-CD 3.35Å; L688-R700 HydrophobicContact CB-CB 4.38Å; L688-R700 HydrophobicContact CD2-CB 4.5Å; L688-H701 HydrophobicContact CD2-CB 3.73Å
689	S	95.9	Very high	91.5	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.028	19%	0.191	C	C	.	.			trans	-66	119	175.4	-179	0	0	0	0	110.9	Y691 R700 N733	S689-Y691 PolarHBondContact O-N 2.57Å; S689-Y691 PolarHBondContact OG-N 2.95Å; S689-R700 PolarHBondContact N-O 3.36Å; S689-N733 VanDerWaalsContact CA-ND2 3.26Å; S689-N733 WeakPolarHBondContact CA-ND2 3.41Å; S689-N733 PolarHBondContact N-ND2 3.04Å
690	P	93.6	Very high	91.6	Very high	86 Å²	86	37 Å²	37	56%	0.558	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.8	175	33.9	-35.9	0	0	0	112.4	L688	L688-P690 VanDerWaalsContact O-CD 3.23Å; L688-P690 WeakPolarHBondContact O-CD 3.35Å
691	Y	94.6	Very high	91.6	Very high	107 Å²	107	36.9 Å²	36.9	42%	0.42	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	2.8	-171.8	-50.7	-69	0	0	0	114.1	S689 L729 W732 N733	S689-Y691 PolarHBondContact O-N 2.57Å; S689-Y691 PolarHBondContact OG-N 2.95Å; Y691-L729 HydrophobicContact CD1-CD2 3.97Å; Y691-L729 HydrophobicContact CD2-CB 3.96Å; Y691-L729 HydrophobicContact CD2-CD2 4Å; Y691-L729 HydrophobicContact CD2-CG 4.45Å; Y691-L729 HydrophobicContact CE1-CD2 4.36Å; Y691-L729 HydrophobicContact CE2-CB 4.46Å; Y691-L729 HydrophobicContact CE2-CD2 4.39Å; Y691-L729 HydrophobicContact CG-CB 4.43Å; Y691-L729 HydrophobicContact CG-CD2 3.77Å; Y691-L729 HydrophobicContact CG-CG 4.45Å; Y691-W732 HydrophobicContact CE2-CB 4.32Å; Y691-W732 WeakPolarHBondContact OH-CB 2.89Å; Y691-N733 HydrophobicContact CE2-CB 4.28Å
692	V	90.6	Very high	91.7	Very high	23 Å²	23	36.4 Å²	36.4	14%	0.139	19%	0.191	C	C	.	.	S	Bend	trans	-125.5	136.9	179.1	-70.1	0	0	0	0	109.7	R700 H709	V692-R700 HydrophobicContact CG2-CB 4.09Å; V692-R700 HydrophobicContact CG2-CG 3.69Å; V692-R700 WeakPolarHBondContact O-CD 3.32Å; V692-H709 HydrophobicContact CG1-CB 4.02Å
693	S	86.7	Confident	91.8	Very high	59 Å²	59	33.1 Å²	33.1	41%	0.413	18%	0.178	S	C	.	.			trans	-71.4	142.9	176.1	180	0	0	0	0	110.5	V695 E696 A697	S693-V695 PolarHBondContact O-N 3.24Å; S693-V695 PolarHBondContact OG-N 3.39Å; S693-E696 PolarHBondContact O-N 3.41Å; S693-A697 PolarHBondContact O-N 3.36Å
694	V	82.8	Confident	91.8	Very high	14 Å²	14	34.7 Å²	34.7	9%	0.085	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.5	172.8	164	0	0	0	0	111.9	M462 F542 E696 A697 P698	M462-V694 HydrophobicContact CE-CG2 4.33Å; M462-V694 HydrophobicContact SD-CG2 3.79Å; F542-V694 HydrophobicContact CD2-CG1 4.17Å; F542-V694 HydrophobicContact CD2-CG2 4.45Å; F542-V694 HydrophobicContact CE2-CB 4.28Å; F542-V694 HydrophobicContact CE2-CG1 3.43Å; F542-V694 VanDerWaalsContact CE2-CG1 3.43Å; F542-V694 HydrophobicContact CE2-CG2 3.86Å; F542-V694 HydrophobicContact CZ-CG1 4.33Å; V694-E696 VanDerWaalsContact C-N 3.31Å; V694-E696 PolarHBondContact O-N 2.92Å; V694-A697 CarbonylContact O-C 3.5Å; V694-P698 VanDerWaalsContact O-CA 3.25Å; V694-P698 WeakPolarHBondContact O-CA 3.43Å; V694-P698 WeakPolarHBondContact O-CD 3.43Å; V694-P698 VanDerWaalsContact O-N 3.13Å
695	V	80.9	Confident	91.7	Very high	56 Å²	56	35.3 Å²	35.3	34%	0.339	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-36.4	-179	-177.5	0	0	0	0	111.1	T311 S693	T311-V695 HydrophobicContact CG2-CG1 3.98Å; S693-V695 PolarHBondContact O-N 3.24Å; S693-V695 PolarHBondContact OG-N 3.39Å
696	E	81.4	Confident	91.5	Very high	148 Å²	148	36 Å²	36	69%	0.692	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-43.7	-179.7	-64.3	-178.6	163	0	0	112.1	S693 V694	S693-E696 PolarHBondContact O-N 3.41Å; V694-E696 VanDerWaalsContact C-N 3.31Å; V694-E696 PolarHBondContact O-N 2.92Å
697	A	86.2	Confident	91.3	Very high	12 Å²	12	35.9 Å²	35.9	10%	0.099	20%	0.196	C	C	.	.			trans	-141.1	88.9	-177.9	0	0	0	0	0	109.4	S693 V694 F699 R700	S693-A697 PolarHBondContact O-N 3.36Å; V694-A697 CarbonylContact O-C 3.5Å; A697-F699 VanDerWaalsContact C-N 3.27Å; A697-F699 PolarHBondContact O-N 2.69Å; A697-R700 WeakPolarHBondContact O-CG 3.45Å
698	P	86.2	Confident	91.1	Very high	23 Å²	23	39.1 Å²	39.1	15%	0.149	22%	0.217	C	C	.	.	S	Bend	trans	-63	-35.8	-176.5	22	-32.4	0	0	0	111.9	F542 V694 R700	F542-P698 HydrophobicContact CD2-CB 4.36Å; F542-P698 WeakPolarHBondContact CD2-O 3.46Å; V694-P698 VanDerWaalsContact O-CA 3.25Å; V694-P698 WeakPolarHBondContact O-CA 3.43Å; V694-P698 WeakPolarHBondContact O-CD 3.43Å; V694-P698 VanDerWaalsContact O-N 3.13Å; P698-R700 PolarHBondContact O-N 3.27Å; P698-R700 VanDerWaalsContact O-N 3.08Å
699	F	93.3	Very high	91.1	Very high	7 Å²	7	39 Å²	39	3%	0.031	22%	0.216	C	C	.	.			trans	-87.6	77	-178.3	-54.5	-52.7	0	0	0	111.7	V532 Y537 A541 F542 A697 H701 G705 R706 H709	V532-F699 HydrophobicContact CG1-CE2 4.24Å; V532-F699 HydrophobicContact CG1-CZ 4.42Å; V532-F699 HydrophobicContact CG2-CE2 4.16Å; Y537-F699 AromaticContact CD1-CD1 3.86Å; Y537-F699 HydrophobicContact CD1-CD1 3.86Å; Y537-F699 AromaticContact CD1-CE1 3.69Å; Y537-F699 HydrophobicContact CD1-CE1 3.69Å; Y537-F699 HydrophobicContact CD1-CE2 4.37Å; Y537-F699 HydrophobicContact CD1-CG 4.29Å; Y537-F699 AromaticContact CD1-CZ 3.96Å; Y537-F699 HydrophobicContact CD1-CZ 3.96Å; Y537-F699 HydrophobicContact CE1-CB 4.11Å; Y537-F699 AromaticContact CE1-CD1 3.52Å; Y537-F699 HydrophobicContact CE1-CD1 3.52Å; Y537-F699 AromaticContact CE1-CD2 3.73Å; Y537-F699 HydrophobicContact CE1-CD2 3.73Å; Y537-F699 AromaticContact CE1-CE1 3.76Å; Y537-F699 HydrophobicContact CE1-CE1 3.76Å; Y537-F699 AromaticContact CE1-CE2 3.94Å; Y537-F699 HydrophobicContact CE1-CE2 3.94Å; Y537-F699 AromaticContact CE1-CG 3.5Å; Y537-F699 HydrophobicContact CE1-CG 3.5Å; Y537-F699 VanDerWaalsContact CE1-CG 3.5Å; Y537-F699 AromaticContact CE1-CZ 3.96Å; Y537-F699 HydrophobicContact CE1-CZ 3.96Å; A541-F699 HydrophobicContact CB-CB 3.94Å; A541-F699 HydrophobicContact CB-CD1 3.87Å; A541-F699 HydrophobicContact CB-CG 4.25Å; A541-F699 CarbonylContact O-C 3.53Å; A541-F699 VanDerWaalsContact O-C 3.31Å; A541-F699 WeakPolarHBondContact O-CA 3.29Å; F542-F699 HydrophobicContact CB-CD1 4.21Å; A697-F699 VanDerWaalsContact C-N 3.27Å; A697-F699 PolarHBondContact O-N 2.69Å; F699-H701 VanDerWaalsContact C-N 3.35Å; F699-H701 PolarHBondContact O-N 3.1Å; F699-G705 CarbonylContact O-C 3.53Å; F699-G705 VanDerWaalsContact O-CA 3.25Å; F699-G705 WeakPolarHBondContact O-CA 3.44Å; F699-R706 HydrophobicContact CB-CB 4.19Å; F699-R706 HydrophobicContact CD2-CB 4.33Å; F699-R706 PolarHBondContact O-N 3.28Å; F699-H709 PolarHBondContact O-CE1 2.87Å; F699-H709 PolarHBondContact O-NE2 2.7Å; F699-H709 VanDerWaalsContact O-NE2 3.14Å
700	R	93.9	Very high	91.1	Very high	34 Å²	34	39.3 Å²	39.3	13%	0.128	22%	0.218	C	C	.	.			trans	-80	-7.3	-169	-60.8	-177.5	-66.6	139	1.5	115.5	A541 L688 S689 V692 A697 P698 L702 H709	A541-R700 PolarHBondContact O-N 2.88Å; L688-R700 HydrophobicContact CB-CB 4.38Å; L688-R700 HydrophobicContact CD2-CB 4.5Å; S689-R700 PolarHBondContact N-O 3.36Å; V692-R700 HydrophobicContact CG2-CB 4.09Å; V692-R700 HydrophobicContact CG2-CG 3.69Å; V692-R700 WeakPolarHBondContact O-CD 3.32Å; A697-R700 WeakPolarHBondContact O-CG 3.45Å; P698-R700 PolarHBondContact O-N 3.27Å; P698-R700 VanDerWaalsContact O-N 3.08Å; R700-L702 PolarHBondContact O-N 3.07Å; R700-H709 VanDerWaalsContact CA-NE2 3.33Å; R700-H709 WeakPolarHBondContact CA-NE2 3.25Å; R700-H709 PolarHBondContact O-CD2 3.33Å; R700-H709 VanDerWaalsContact O-CD2 3.26Å; R700-H709 PolarHBondContact O-NE2 2.88Å
701	H	96.5	Very high	91.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-61	130.4	-176.5	-169.1	-59	0	0	0	112.9	A541 Y612 E684 L688 F699 L703 L704 G705	A541-H701 HydrophobicContact CB-CB 4.34Å; A541-H701 PolarHBondContact O-N 3.17Å; Y612-H701 PolarHBondContact OH-NE2 3.14Å; E684-H701 IonicContact OE1-CD2 3.37Å; E684-H701 IonicContact OE1-NE2 2.81Å; E684-H701 PolarHBondContact OE1-NE2 2.86Å; L688-H701 HydrophobicContact CD2-CB 3.73Å; F699-H701 VanDerWaalsContact C-N 3.35Å; F699-H701 PolarHBondContact O-N 3.1Å; H701-L703 PolarHBondContact ND1-N 2.91Å; H701-L703 VanDerWaalsContact ND1-N 3.18Å; H701-L703 PolarHBondContact O-N 3.26Å; H701-L704 PolarHBondContact ND1-N 3.39Å; H701-L704 VanDerWaalsContact ND1-N 3.2Å; H701-G705 WeakPolarHBondContact O-CA 3.37Å; H701-G705 PolarHBondContact O-N 3.17Å
702	L	96.3	Very high	91.2	Very high	2 Å²	2	33 Å²	33	1%	0.01	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-37.8	-171.6	-177	61.7	0	0	0	114.1	L687 R700 H709 T710 L711 A730 L734	L687-L702 VanDerWaalsContact O-CB 3.3Å; L687-L702 WeakPolarHBondContact O-CB 3.2Å; L687-L702 PolarHBondContact O-N 3.4Å; R700-L702 PolarHBondContact O-N 3.07Å; L702-H709 WeakPolarHBondContact CD1-O 3.48Å; L702-T710 WeakPolarHBondContact O-CA 3.46Å; L702-L711 HydrophobicContact CD1-CD2 4.26Å; L702-L711 HydrophobicContact CD1-CG 3.93Å; L702-L711 HydrophobicContact CD2-CD1 4.28Å; L702-L711 HydrophobicContact CD2-CG 4.4Å; L702-L711 HydrophobicContact CG-CD1 4.16Å; L702-L711 HydrophobicContact CG-CG 3.91Å; L702-L711 PolarHBondContact O-N 3.41Å; L702-A730 HydrophobicContact CD1-CB 3.86Å; L702-L734 HydrophobicContact CD2-CB 4.2Å
703	L	95.4	Very high	91.4	Very high	31 Å²	31	33.4 Å²	33.4	16%	0.162	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-50.1	179.5	-61.4	170	0	0	0	114	Y612 I616 A619 H701 L711	Y612-L703 HydrophobicContact CD1-CD1 3.8Å; Y612-L703 HydrophobicContact CE1-CD1 3.71Å; I616-L703 HydrophobicContact CG1-CD1 3.76Å; A619-L703 HydrophobicContact CB-CD2 3.62Å; H701-L703 PolarHBondContact ND1-N 2.91Å; H701-L703 VanDerWaalsContact ND1-N 3.18Å; H701-L703 PolarHBondContact O-N 3.26Å; L703-L711 HydrophobicContact CD2-CD1 3.81Å
704	L	94.8	Very high	91.8	Very high	33 Å²	33	30.7 Å²	30.7	17%	0.173	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-1	-169	-61	173.5	0	0	0	113	T529 Y537 L540 H701	T529-L704 HydrophobicContact CG2-CD2 3.95Å; Y537-L704 WeakPolarHBondContact CE2-O 3.28Å; Y537-L704 VanDerWaalsContact CZ-O 3.27Å; Y537-L704 PolarHBondContact OH-O 2.83Å; L540-L704 HydrophobicContact CD2-CB 4.45Å; L540-L704 HydrophobicContact CD2-CD1 3.58Å; L540-L704 HydrophobicContact CG-CD1 4.41Å; H701-L704 PolarHBondContact ND1-N 3.39Å; H701-L704 VanDerWaalsContact ND1-N 3.2Å
705	G	94.4	Very high	92.4	Very high	14 Å²	14	31 Å²	31	14%	0.144	19%	0.185	C	C	.	.	S	Bend	trans	-77.7	-168.8	177.4	0	0	0	0	0	112.8	F699 H701	F699-G705 CarbonylContact O-C 3.53Å; F699-G705 VanDerWaalsContact O-CA 3.25Å; F699-G705 WeakPolarHBondContact O-CA 3.44Å; H701-G705 WeakPolarHBondContact O-CA 3.37Å; H701-G705 PolarHBondContact O-N 3.17Å
706	R	91.6	Very high	92.9	Very high	68 Å²	68	35.5 Å²	35.5	26%	0.257	20%	0.202	S	C	.	.			trans	-137.1	124.9	178.3	-172.5	-174.1	-177.7	122.4	-4.9	109.6	D257 L290 F699 H709	D257-R706 IonicContact OD2-NH2 3.18Å; D257-R706 PolarHBondContact OD2-NH2 3.27Å; L290-R706 VanDerWaalsContact CD2-NH2 3.27Å; F699-R706 HydrophobicContact CB-CB 4.19Å; F699-R706 HydrophobicContact CD2-CB 4.33Å; F699-R706 PolarHBondContact O-N 3.28Å; R706-H709 PolarHBondContact O-CE1 2.83Å; R706-H709 VanDerWaalsContact O-CE1 3.31Å
707	G	90.9	Very high	93.4	Very high	22 Å²	22	29.9 Å²	29.9	23%	0.227	18%	0.179	C	C	.	.	S	Bend	trans	144.6	175.4	178.4	0	0	0	0	0	112	H709 T710 A713	G707-H709 PolarHBondContact O-N 3.02Å; G707-T710 WeakPolarHBondContact O-CG2 3.48Å; G707-T710 PolarHBondContact O-N 3.42Å; G707-T710 PolarHBondContact O-OG1 3.41Å; G707-A713 VanDerWaalsContact O-CB 3.29Å; G707-A713 WeakPolarHBondContact O-CB 3.38Å
708	P	92.2	Very high	93.6	Very high	70 Å²	70	36.5 Å²	36.5	46%	0.455	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16	-175.2	32.3	-37.8	0	0	0	113.2	T710 H726	P708-T710 VanDerWaalsContact C-N 3.27Å; P708-T710 PolarHBondContact O-N 3.42Å; P708-H726 WeakPolarHBondContact CB-NE2 3.32Å
709	H	94.3	Very high	93.9	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.032	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.6	173.4	59.7	-75.9	0	0	0	114	V692 F699 R700 L702 R706 G707	V692-H709 HydrophobicContact CG1-CB 4.02Å; F699-H709 PolarHBondContact O-CE1 2.87Å; F699-H709 PolarHBondContact O-NE2 2.7Å; F699-H709 VanDerWaalsContact O-NE2 3.14Å; R700-H709 VanDerWaalsContact CA-NE2 3.33Å; R700-H709 WeakPolarHBondContact CA-NE2 3.25Å; R700-H709 PolarHBondContact O-CD2 3.33Å; R700-H709 VanDerWaalsContact O-CD2 3.26Å; R700-H709 PolarHBondContact O-NE2 2.88Å; L702-H709 WeakPolarHBondContact CD1-O 3.48Å; R706-H709 PolarHBondContact O-CE1 2.83Å; R706-H709 VanDerWaalsContact O-CE1 3.31Å; G707-H709 PolarHBondContact O-N 3.02Å
710	T	96.6	Very high	93.8	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	23%	0.225	C	C	.	.	S	Bend	trans	-75.5	146.5	-177	64.4	0	0	0	0	111.8	L702 G707 P708 A712 A713 I714	L702-T710 WeakPolarHBondContact O-CA 3.46Å; G707-T710 WeakPolarHBondContact O-CG2 3.48Å; G707-T710 PolarHBondContact O-N 3.42Å; G707-T710 PolarHBondContact O-OG1 3.41Å; P708-T710 VanDerWaalsContact C-N 3.27Å; P708-T710 PolarHBondContact O-N 3.42Å; T710-A712 PolarHBondContact O-N 2.91Å; T710-A713 PolarHBondContact O-N 3.07Å; T710-A713 VanDerWaalsContact OG1-CB 3.24Å; T710-A713 WeakPolarHBondContact OG1-CB 3.45Å; T710-A713 PolarHBondContact OG1-N 3Å; T710-I714 VanDerWaalsContact O-CG1 3.29Å; T710-I714 WeakPolarHBondContact O-CG1 3.45Å; T710-I714 PolarHBondContact O-N 3.4Å
711	L	96.4	Very high	93.7	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-31.3	179.2	-69.7	177.7	0	0	0	112.9	A619 V620 V623 L644 L702 L703 I714 A715 A730	A619-L711 HydrophobicContact CB-CB 3.94Å; A619-L711 HydrophobicContact CB-CD1 3.76Å; V620-L711 HydrophobicContact CG2-CD1 4.06Å; V623-L711 HydrophobicContact CG2-CB 4.31Å; V623-L711 HydrophobicContact CG2-CD2 4.24Å; V623-L711 VanDerWaalsContact CG2-O 3.23Å; V623-L711 WeakPolarHBondContact CG2-O 3.29Å; L644-L711 HydrophobicContact CD1-CD2 4.34Å; L644-L711 HydrophobicContact CD2-CD2 4.25Å; L702-L711 HydrophobicContact CD1-CD2 4.26Å; L702-L711 HydrophobicContact CD1-CG 3.93Å; L702-L711 HydrophobicContact CD2-CD1 4.28Å; L702-L711 HydrophobicContact CD2-CG 4.4Å; L702-L711 HydrophobicContact CG-CD1 4.16Å; L702-L711 HydrophobicContact CG-CG 3.91Å; L702-L711 PolarHBondContact O-N 3.41Å; L703-L711 HydrophobicContact CD2-CD1 3.81Å; L711-I714 HydrophobicContact CD2-CD1 4.27Å; L711-A715 PolarHBondContact O-N 3.17Å; L711-A715 VanDerWaalsContact O-N 3.17Å; L711-A730 HydrophobicContact CD2-CB 3.88Å
712	A	94.6	Very high	93.5	Very high	60 Å²	60	51.2 Å²	51.2	50%	0.496	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-48.1	174.4	0	0	0	0	0	111.4	T710 I714 A715 E716	T710-A712 PolarHBondContact O-N 2.91Å; A712-I714 VanDerWaalsContact C-N 3.32Å; A712-I714 PolarHBondContact O-N 2.77Å; A712-A715 WeakPolarHBondContact O-CB 3.33Å; A712-A715 PolarHBondContact O-N 3.15Å; A712-A715 VanDerWaalsContact O-N 3.14Å; A712-E716 PolarHBondContact O-N 3.15Å
713	A	94.3	Very high	93.3	Very high	30 Å²	30	51.1 Å²	51.1	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-37	177.8	0	0	0	0	0	112.5	G707 T710 A715 E716 T717	G707-A713 VanDerWaalsContact O-CB 3.29Å; G707-A713 WeakPolarHBondContact O-CB 3.38Å; T710-A713 PolarHBondContact O-N 3.07Å; T710-A713 VanDerWaalsContact OG1-CB 3.24Å; T710-A713 WeakPolarHBondContact OG1-CB 3.45Å; T710-A713 PolarHBondContact OG1-N 3Å; A713-A715 VanDerWaalsContact C-N 3.28Å; A713-A715 PolarHBondContact O-N 3.32Å; A713-E716 PolarHBondContact O-N 3.27Å; A713-T717 PolarHBondContact O-N 3.15Å
714	I	95.3	Very high	93.3	Very high	3 Å²	3	55 Å²	55	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-36	175.5	-65.3	164.7	0	0	0	111.3	V623 T710 L711 A712 E716 T717 H726 A730	V623-I714 HydrophobicContact CG1-CG2 3.81Å; V623-I714 HydrophobicContact CG2-CB 4.29Å; V623-I714 HydrophobicContact CG2-CG2 4.15Å; T710-I714 VanDerWaalsContact O-CG1 3.29Å; T710-I714 WeakPolarHBondContact O-CG1 3.45Å; T710-I714 PolarHBondContact O-N 3.4Å; L711-I714 HydrophobicContact CD2-CD1 4.27Å; A712-I714 VanDerWaalsContact C-N 3.32Å; A712-I714 PolarHBondContact O-N 2.77Å; I714-E716 VanDerWaalsContact C-N 3.26Å; I714-E716 PolarHBondContact O-N 2.64Å; I714-T717 WeakPolarHBondContact O-CG2 3.44Å; I714-H726 HydrophobicContact CD1-CB 3.8Å; I714-H726 WeakPolarHBondContact CD1-O 3.36Å; I714-H726 HydrophobicContact CG1-CB 3.65Å; I714-A730 HydrophobicContact CD1-CB 3.68Å
715	A	94.4	Very high	93.2	Very high	20 Å²	20	58.1 Å²	58.1	17%	0.165	31%	0.305	C	S	.	.	H	α-helix	trans	-70.1	-22.8	178.2	0	0	0	0	0	113.2	Q622 V623 R626 L711 A712 A713	Q622-A715 HydrophobicContact CB-CB 4.16Å; V623-A715 HydrophobicContact CG2-CB 4.08Å; R626-A715 WeakPolarHBondContact CG-O 3.47Å; L711-A715 PolarHBondContact O-N 3.17Å; L711-A715 VanDerWaalsContact O-N 3.17Å; A712-A715 WeakPolarHBondContact O-CB 3.33Å; A712-A715 PolarHBondContact O-N 3.15Å; A712-A715 VanDerWaalsContact O-N 3.14Å; A713-A715 VanDerWaalsContact C-N 3.28Å; A713-A715 PolarHBondContact O-N 3.32Å
716	E	93	Very high	93.2	Very high	150 Å²	150	58.6 Å²	58.6	70%	0.701	30%	0.303	S	S	*	.	H	α-helix	trans	-108.2	-11.6	-174	-66	179.1	-179.7	0	0	113.9	A712 A713 I714	A712-E716 PolarHBondContact O-N 3.15Å; A713-E716 PolarHBondContact O-N 3.27Å; I714-E716 VanDerWaalsContact C-N 3.26Å; I714-E716 PolarHBondContact O-N 2.64Å
717	T	91.4	Very high	93.4	Very high	31 Å²	31	55.8 Å²	55.8	19%	0.19	29%	0.293	C	S	.	.			trans	-59.7	141.9	-177.6	-169.5	0	0	0	0	112.6	R626 A713 I714 D719 L723	R626-T717 PolarHBondContact NH2-O 3.02Å; A713-T717 PolarHBondContact O-N 3.15Å; I714-T717 WeakPolarHBondContact O-CG2 3.44Å; T717-D719 PolarHBondContact OG1-N 3.17Å; T717-L723 HydrophobicContact CG2-CB 3.59Å; T717-L723 HydrophobicContact CG2-CD1 3.78Å; T717-L723 HydrophobicContact CG2-CG 3.93Å
718	Q	89.6	Confident	93.6	Very high	151 Å²	151	56.5 Å²	56.5	71%	0.706	30%	0.297	S	S	*	.			trans	-101.8	-13.9	174.2	-57.3	-60.7	-14.8	0	0	112.3	R626 M720	R626-Q718 VanDerWaalsContact NH2-OE1 3.11Å; Q718-M720 VanDerWaalsContact O-CE 3.28Å; Q718-M720 WeakPolarHBondContact O-CE 3.48Å
719	D	92	Very high	93.8	Very high	61 Å²	61	54.6 Å²	54.6	33%	0.326	28%	0.283	S	S	.	.			trans	-88.2	113.2	178.8	-178.4	-27.2	0	0	0	109.5	T717 E721 K722 L723	T717-D719 PolarHBondContact OG1-N 3.17Å; D719-E721 PolarHBondContact OD1-N 3.39Å; D719-K722 HydrophobicContact CB-CB 4.01Å; D719-K722 HydrophobicContact CB-CD 4.03Å; D719-K722 HydrophobicContact CB-CG 4.19Å; D719-K722 PolarHBondContact OD1-N 3.2Å; D719-K722 VanDerWaalsContact OD1-N 3.1Å; D719-K722 WeakPolarHBondContact OD2-CD 3.44Å; D719-K722 WeakPolarHBondContact OD2-CE 3.11Å; D719-K722 WeakPolarHBondContact OD2-CG 3.44Å; D719-K722 IonicContact OD2-NZ 3.99Å; D719-L723 WeakPolarHBondContact O-CB 3.15Å; D719-L723 PolarHBondContact O-N 3.4Å
720	M	92.4	Very high	93.9	Very high	45 Å²	45	54.4 Å²	54.4	22%	0.222	28%	0.282	C	S	.	.	H	α-helix	trans	-72.5	-28.8	-174	-64.1	-59.2	101.2	0	0	113.3	L630 L636 Q718 L723 R724	L630-M720 HydrophobicContact CD1-CE 3.94Å; L630-M720 HydrophobicContact CD1-SD 3.87Å; L630-M720 HydrophobicContact CD2-CE 4.42Å; L630-M720 HydrophobicContact CD2-SD 4.32Å; L636-M720 HydrophobicContact CB-SD 4.49Å; L636-M720 HydrophobicContact CD1-CB 4.36Å; L636-M720 HydrophobicContact CD1-SD 4.16Å; Q718-M720 VanDerWaalsContact O-CE 3.28Å; Q718-M720 WeakPolarHBondContact O-CE 3.48Å; M720-L723 HydrophobicContact CE-CD1 4.14Å; M720-L723 HydrophobicContact SD-CD1 4.45Å; M720-R724 WeakPolarHBondContact O-CG 3.39Å; M720-R724 PolarHBondContact O-N 3.37Å; M720-R724 VanDerWaalsContact O-N 3.09Å
721	E	91.8	Very high	93.9	Very high	157 Å²	157	54.7 Å²	54.7	73%	0.734	28%	0.284	S	S	*	.	H	α-helix	trans	-71.9	-45.3	175.8	-68	-169.2	165.8	0	0	110.2	D719 L723 R724 L725	D719-E721 PolarHBondContact OD1-N 3.39Å; E721-L723 VanDerWaalsContact C-N 3.3Å; E721-L723 PolarHBondContact O-N 2.98Å; E721-R724 WeakPolarHBondContact O-CB 3.43Å; E721-R724 PolarHBondContact O-N 2.79Å; E721-L725 PolarHBondContact O-N 3.34Å
722	K	91.6	Very high	93.9	Very high	109 Å²	109	62 Å²	62	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-39.4	173	-70.8	-178.3	-171.6	167.2	0	111.9	D719 R724 L725 H726	D719-K722 HydrophobicContact CB-CB 4.01Å; D719-K722 HydrophobicContact CB-CD 4.03Å; D719-K722 HydrophobicContact CB-CG 4.19Å; D719-K722 PolarHBondContact OD1-N 3.2Å; D719-K722 VanDerWaalsContact OD1-N 3.1Å; D719-K722 WeakPolarHBondContact OD2-CD 3.44Å; D719-K722 WeakPolarHBondContact OD2-CE 3.11Å; D719-K722 WeakPolarHBondContact OD2-CG 3.44Å; D719-K722 IonicContact OD2-NZ 3.99Å; K722-R724 VanDerWaalsContact C-N 3.34Å; K722-R724 PolarHBondContact O-N 3.45Å; K722-L725 PolarHBondContact O-N 3.36Å; K722-H726 WeakPolarHBondContact O-CB 3.47Å; K722-H726 PolarHBondContact O-CD2 3.39Å; K722-H726 PolarHBondContact O-N 3.2Å
723	L	93.4	Very high	94	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-49.1	175	-173.1	151.1	0	0	0	111	V627 L630 L636 T717 D719 M720 E721 L727	V627-L723 HydrophobicContact CG2-CD2 4.34Å; L630-L723 HydrophobicContact CD1-CD1 3.5Å; L630-L723 VanDerWaalsContact CD1-CD1 3.5Å; L636-L723 HydrophobicContact CD1-CD2 4.28Å; L636-L723 HydrophobicContact CD2-CD2 3.61Å; T717-L723 HydrophobicContact CG2-CB 3.59Å; T717-L723 HydrophobicContact CG2-CD1 3.78Å; T717-L723 HydrophobicContact CG2-CG 3.93Å; D719-L723 WeakPolarHBondContact O-CB 3.15Å; D719-L723 PolarHBondContact O-N 3.4Å; M720-L723 HydrophobicContact CE-CD1 4.14Å; M720-L723 HydrophobicContact SD-CD1 4.45Å; E721-L723 VanDerWaalsContact C-N 3.3Å; E721-L723 PolarHBondContact O-N 2.98Å; L723-L727 WeakPolarHBondContact O-CB 3.14Å; L723-L727 PolarHBondContact O-N 3.29Å
724	R	93.4	Very high	94.1	Very high	113 Å²	113	58 Å²	58	43%	0.426	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-50.8	178.7	-77.4	172.2	172.7	-177.3	-2.8	111.9	L636 K637 V639 M720 E721 K722 A728	L636-R724 HydrophobicContact CD1-CG 4.11Å; K637-R724 PolarHBondContact O-NH2 3.48Å; V639-R724 HydrophobicContact CG2-CG 3.68Å; M720-R724 WeakPolarHBondContact O-CG 3.39Å; M720-R724 PolarHBondContact O-N 3.37Å; M720-R724 VanDerWaalsContact O-N 3.09Å; E721-R724 WeakPolarHBondContact O-CB 3.43Å; E721-R724 PolarHBondContact O-N 2.79Å; K722-R724 VanDerWaalsContact C-N 3.34Å; K722-R724 PolarHBondContact O-N 3.45Å; R724-A728 PolarHBondContact O-N 3.47Å
725	L	94.1	Very high	94.1	Very high	97 Å²	97	58.5 Å²	58.5	51%	0.508	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-54.2	-179.2	177.8	62.6	0	0	0	111.2	E721 K722 L727 A728 L729	E721-L725 PolarHBondContact O-N 3.34Å; K722-L725 PolarHBondContact O-N 3.36Å; L725-L727 VanDerWaalsContact C-N 3.33Å; L725-L727 PolarHBondContact O-N 3.39Å; L725-A728 PolarHBondContact O-N 3.07Å; L725-L729 HydrophobicContact CD1-CD1 3.95Å; L725-L729 HydrophobicContact CD1-CG 4.15Å; L725-L729 HydrophobicContact CG-CD1 3.96Å; L725-L729 HydrophobicContact CG-CG 4.46Å; L725-L729 WeakPolarHBondContact O-CG 3.34Å; L725-L729 PolarHBondContact O-N 3.36Å
726	H	94.6	Very high	94.1	Very high	25 Å²	25	59.2 Å²	59.2	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-31	-175.6	-67.4	-54.5	0	0	0	112.6	P708 I714 K722 A730	P708-H726 WeakPolarHBondContact CB-NE2 3.32Å; I714-H726 HydrophobicContact CD1-CB 3.8Å; I714-H726 WeakPolarHBondContact CD1-O 3.36Å; I714-H726 HydrophobicContact CG1-CB 3.65Å; K722-H726 WeakPolarHBondContact O-CB 3.47Å; K722-H726 PolarHBondContact O-CD2 3.39Å; K722-H726 PolarHBondContact O-N 3.2Å; H726-A730 WeakPolarHBondContact O-CB 3.33Å; H726-A730 PolarHBondContact O-N 2.97Å
727	L	95.5	Very high	94.1	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-44.4	171.5	179.8	64.5	0	0	0	111.7	V623 V627 V639 L644 L723 L725 T731	V623-L727 HydrophobicContact CG1-CD1 3.77Å; V627-L727 HydrophobicContact CG2-CD2 4.11Å; V639-L727 HydrophobicContact CG1-CD2 3.5Å; L644-L727 HydrophobicContact CB-CD1 4.35Å; L644-L727 HydrophobicContact CD2-CD1 3.88Å; L723-L727 WeakPolarHBondContact O-CB 3.14Å; L723-L727 PolarHBondContact O-N 3.29Å; L725-L727 VanDerWaalsContact C-N 3.33Å; L725-L727 PolarHBondContact O-N 3.39Å; L727-T731 WeakPolarHBondContact O-CB 3.29Å; L727-T731 PolarHBondContact O-N 3.48Å; L727-T731 PolarHBondContact O-OG1 3.2Å
728	A	95.3	Very high	94.2	Very high	38 Å²	38	50.9 Å²	50.9	31%	0.314	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-49.5	177.4	0	0	0	0	0	111.6	R724 L725 A730 T731 W732	R724-A728 PolarHBondContact O-N 3.47Å; L725-A728 PolarHBondContact O-N 3.07Å; A728-A730 PolarHBondContact O-N 3.36Å; A728-T731 WeakPolarHBondContact O-CB 3.43Å; A728-T731 PolarHBondContact O-N 3.48Å; A728-W732 HydrophobicContact CB-CZ3 4.49Å; A728-W732 PolarHBondContact O-N 3.28Å
729	L	96.4	Very high	94.4	Very high	29 Å²	29	46.1 Å²	46.1	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-42.3	179.4	-63.5	178.7	0	0	0	112.4	Y691 L725 T731 W732 N733	Y691-L729 HydrophobicContact CD1-CD2 3.97Å; Y691-L729 HydrophobicContact CD2-CB 3.96Å; Y691-L729 HydrophobicContact CD2-CD2 4Å; Y691-L729 HydrophobicContact CD2-CG 4.45Å; Y691-L729 HydrophobicContact CE1-CD2 4.36Å; Y691-L729 HydrophobicContact CE2-CB 4.46Å; Y691-L729 HydrophobicContact CE2-CD2 4.39Å; Y691-L729 HydrophobicContact CG-CB 4.43Å; Y691-L729 HydrophobicContact CG-CD2 3.77Å; Y691-L729 HydrophobicContact CG-CG 4.45Å; L725-L729 HydrophobicContact CD1-CD1 3.95Å; L725-L729 HydrophobicContact CD1-CG 4.15Å; L725-L729 HydrophobicContact CG-CD1 3.96Å; L725-L729 HydrophobicContact CG-CG 4.46Å; L725-L729 WeakPolarHBondContact O-CG 3.34Å; L725-L729 PolarHBondContact O-N 3.36Å; L729-T731 VanDerWaalsContact C-N 3.31Å; L729-T731 PolarHBondContact O-N 3.44Å; L729-W732 HydrophobicContact CD2-CE3 3.99Å; L729-W732 HydrophobicContact CD2-CZ3 4.04Å; L729-W732 PolarHBondContact O-N 2.87Å; L729-N733 WeakPolarHBondContact O-CB 3.43Å; L729-N733 PolarHBondContact O-N 3.38Å
730	A	96.4	Very high	94.3	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-36.7	176.4	0	0	0	0	0	112.2	L702 L711 I714 H726 A728 N733 L734	L702-A730 HydrophobicContact CD1-CB 3.86Å; L711-A730 HydrophobicContact CD2-CB 3.88Å; I714-A730 HydrophobicContact CD1-CB 3.68Å; H726-A730 WeakPolarHBondContact O-CB 3.33Å; H726-A730 PolarHBondContact O-N 2.97Å; A728-A730 PolarHBondContact O-N 3.36Å; A730-N733 PolarHBondContact O-N 2.97Å; A730-L734 WeakPolarHBondContact O-CB 3.42Å; A730-L734 PolarHBondContact O-N 3.33Å
731	T	96.4	Very high	94.2	Very high	15 Å²	15	42.6 Å²	42.6	9%	0.092	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-49.3	175.3	-61.3	0	0	0	0	111.1	W643 A647 L727 A728 L729 N733 L734 Q735	W643-T731 HydrophobicContact CB-CG2 3.74Å; A647-T731 HydrophobicContact CB-CG2 4.4Å; L727-T731 WeakPolarHBondContact O-CB 3.29Å; L727-T731 PolarHBondContact O-N 3.48Å; L727-T731 PolarHBondContact O-OG1 3.2Å; A728-T731 WeakPolarHBondContact O-CB 3.43Å; A728-T731 PolarHBondContact O-N 3.48Å; L729-T731 VanDerWaalsContact C-N 3.31Å; L729-T731 PolarHBondContact O-N 3.44Å; T731-N733 VanDerWaalsContact C-N 3.33Å; T731-N733 PolarHBondContact O-N 3.38Å; T731-L734 PolarHBondContact O-N 2.98Å; T731-Q735 WeakPolarHBondContact O-CB 3.48Å; T731-Q735 PolarHBondContact O-N 3.36Å
732	W	96.2	Very high	93.8	Very high	156 Å²	156	36.4 Å²	36.4	59%	0.591	19%	0.191	S	C	*	.	H	α-helix	trans	-64.8	-36.8	177	-72	-40	0	0	0	112.9	Y691 A728 L729 G736	Y691-W732 HydrophobicContact CE2-CB 4.32Å; Y691-W732 WeakPolarHBondContact OH-CB 2.89Å; A728-W732 HydrophobicContact CB-CZ3 4.49Å; A728-W732 PolarHBondContact O-N 3.28Å; L729-W732 HydrophobicContact CD2-CE3 3.99Å; L729-W732 HydrophobicContact CD2-CZ3 4.04Å; L729-W732 PolarHBondContact O-N 2.87Å; W732-G736 PolarHBondContact O-N 3.47Å
733	N	96.2	Very high	92.9	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-52.7	174.9	-173.6	2.4	0	0	0	110.9	S686 S689 Y691 L729 A730 T731 Q735 G736 C737	S686-N733 PolarHBondContact O-OD1 3.04Å; S686-N733 VanDerWaalsContact O-OD1 3.06Å; S689-N733 VanDerWaalsContact CA-ND2 3.26Å; S689-N733 WeakPolarHBondContact CA-ND2 3.41Å; S689-N733 PolarHBondContact N-ND2 3.04Å; Y691-N733 HydrophobicContact CE2-CB 4.28Å; L729-N733 WeakPolarHBondContact O-CB 3.43Å; L729-N733 PolarHBondContact O-N 3.38Å; A730-N733 PolarHBondContact O-N 2.97Å; T731-N733 VanDerWaalsContact C-N 3.33Å; T731-N733 PolarHBondContact O-N 3.38Å; N733-Q735 VanDerWaalsContact C-N 3.33Å; N733-Q735 PolarHBondContact O-N 3.49Å; N733-G736 PolarHBondContact O-N 3.05Å; N733-G736 VanDerWaalsContact O-N 3.12Å; N733-C737 PolarHBondContact O-N 3.5Å
734	L	96.1	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-38.6	179.8	-177.6	58.5	0	0	0	112.6	I616 V620 L644 A647 R648 Y651 L702 A730 T731 C737 A738	I616-L734 HydrophobicContact CD1-CD1 4.04Å; I616-L734 HydrophobicContact CG2-CD1 4.03Å; I616-L734 HydrophobicContact CG2-CD2 3.82Å; V620-L734 HydrophobicContact CG2-CD2 4.19Å; L644-L734 HydrophobicContact CD1-CD2 4.19Å; A647-L734 HydrophobicContact CB-CB 4.17Å; A647-L734 HydrophobicContact CB-CD2 4.1Å; A647-L734 HydrophobicContact CB-CG 4.04Å; R648-L734 HydrophobicContact CB-CD2 4.18Å; Y651-L734 HydrophobicContact CD2-CD1 4.32Å; Y651-L734 HydrophobicContact CG-CD1 4.47Å; L702-L734 HydrophobicContact CD2-CB 4.2Å; A730-L734 WeakPolarHBondContact O-CB 3.42Å; A730-L734 PolarHBondContact O-N 3.33Å; T731-L734 PolarHBondContact O-N 2.98Å; L734-C737 WeakPolarHBondContact O-CB 3.26Å; L734-C737 PolarHBondContact O-N 3.39Å; L734-A738 PolarHBondContact O-N 3.16Å; L734-A738 VanDerWaalsContact O-N 3.16Å
735	Q	95.5	Very high	90.8	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-41.5	174	-175.8	63	41.1	0	0	111.7	A647 S650 T731 N733 C737 A738 N739 I752	A647-Q735 HydrophobicContact CB-CB 4.07Å; S650-Q735 VanDerWaalsContact CB-OE1 3.32Å; S650-Q735 PolarHBondContact OG-OE1 3.02Å; T731-Q735 WeakPolarHBondContact O-CB 3.48Å; T731-Q735 PolarHBondContact O-N 3.36Å; N733-Q735 VanDerWaalsContact C-N 3.33Å; N733-Q735 PolarHBondContact O-N 3.49Å; Q735-C737 VanDerWaalsContact C-N 3.27Å; Q735-C737 PolarHBondContact O-N 3.41Å; Q735-A738 WeakPolarHBondContact O-CB 3.38Å; Q735-A738 PolarHBondContact O-N 3.43Å; Q735-A738 VanDerWaalsContact O-N 3.11Å; Q735-N739 PolarHBondContact NE2-OD1 3.11Å; Q735-N739 VanDerWaalsContact O-CG 3.27Å; Q735-N739 PolarHBondContact O-N 3.46Å; Q735-N739 PolarHBondContact O-OD1 3.43Å; Q735-I752 HydrophobicContact CG-CD1 3.57Å
736	G	94	Very high	89.2	Confident	35 Å²	35	45.9 Å²	45.9	36%	0.361	25%	0.25	S	C	.	.	H	α-helix	trans	-58.2	-40.1	174.6	0	0	0	0	0	111.9	W732 N733 N739 A740	W732-G736 PolarHBondContact O-N 3.47Å; N733-G736 PolarHBondContact O-N 3.05Å; N733-G736 VanDerWaalsContact O-N 3.12Å; G736-N739 PolarHBondContact O-N 3.48Å; G736-A740 WeakPolarHBondContact O-CB 3.45Å; G736-A740 PolarHBondContact O-N 2.98Å
737	C	94.6	Very high	87.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-46.5	172.1	-176.4	0	0	0	0	112.4	L687 N733 L734 Q735 N739 A740 M741	L687-C737 HydrophobicContact CD2-CB 4.33Å; N733-C737 PolarHBondContact O-N 3.5Å; L734-C737 WeakPolarHBondContact O-CB 3.26Å; L734-C737 PolarHBondContact O-N 3.39Å; Q735-C737 VanDerWaalsContact C-N 3.27Å; Q735-C737 PolarHBondContact O-N 3.41Å; C737-N739 VanDerWaalsContact C-N 3.31Å; C737-N739 PolarHBondContact O-N 3.03Å; C737-A740 PolarHBondContact O-N 3.02Å; C737-M741 VanDerWaalsContact O-CG 3.32Å; C737-M741 WeakPolarHBondContact O-CG 3.46Å; C737-M741 PolarHBondContact O-N 3.17Å
738	A	93.3	Very high	86.6	Confident	6 Å²	6	51 Å²	51	5%	0.05	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-41.5	176.5	0	0	0	0	0	111.8	A654 L734 Q735 M741	A654-A738 HydrophobicContact CB-CB 4.43Å; L734-A738 PolarHBondContact O-N 3.16Å; L734-A738 VanDerWaalsContact O-N 3.16Å; Q735-A738 WeakPolarHBondContact O-CB 3.38Å; Q735-A738 PolarHBondContact O-N 3.43Å; Q735-A738 VanDerWaalsContact O-N 3.11Å; A738-M741 WeakPolarHBondContact O-CB 3.41Å; A738-M741 PolarHBondContact O-N 3.23Å
739	N	92.8	Very high	85	Confident	50 Å²	50	51.8 Å²	51.8	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-67.8	-37.3	178.6	-65.3	-3.7	0	0	0	112	Q735 G736 C737 M741 A742 I748	Q735-N739 PolarHBondContact NE2-OD1 3.11Å; Q735-N739 VanDerWaalsContact O-CG 3.27Å; Q735-N739 PolarHBondContact O-N 3.46Å; Q735-N739 PolarHBondContact O-OD1 3.43Å; G736-N739 PolarHBondContact O-N 3.48Å; C737-N739 VanDerWaalsContact C-N 3.31Å; C737-N739 PolarHBondContact O-N 3.03Å; N739-M741 PolarHBondContact O-N 3.36Å; N739-A742 VanDerWaalsContact O-CB 3.25Å; N739-A742 WeakPolarHBondContact O-CB 3.18Å; N739-A742 PolarHBondContact O-N 3.39Å; N739-A742 VanDerWaalsContact O-N 3.13Å; N739-I748 HydrophobicContact CB-CD1 4.36Å; N739-I748 HydrophobicContact CB-CG1 4.43Å
740	A	90.9	Very high	83.2	Confident	33 Å²	33	57.7 Å²	57.7	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-23.1	177.9	0	0	0	0	0	113.3	S686 G736 C737	S686-A740 WeakPolarHBondContact OG-CB 3.41Å; G736-A740 WeakPolarHBondContact O-CB 3.45Å; G736-A740 PolarHBondContact O-N 2.98Å; C737-A740 PolarHBondContact O-N 3.02Å
741	M	89.8	Confident	81	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15	175.8	-67.7	169.6	70.9	0	0	113.5	V609 Y651 A654 A655 I658 R679 V683 C737 A738 N739	V609-M741 HydrophobicContact CB-CE 4.39Å; Y651-M741 HydrophobicContact CD2-SD 3.96Å; Y651-M741 HydrophobicContact CE2-CE 4.36Å; Y651-M741 HydrophobicContact CE2-SD 3.64Å; A654-M741 HydrophobicContact CB-CB 3.9Å; A654-M741 HydrophobicContact CB-CE 4.15Å; A654-M741 HydrophobicContact CB-SD 4.16Å; A655-M741 HydrophobicContact CB-CE 3.99Å; I658-M741 HydrophobicContact CD1-CB 4.13Å; I658-M741 HydrophobicContact CD1-CE 3.64Å; I658-M741 HydrophobicContact CD1-CG 4.36Å; R679-M741 PolarHBondContact NE-O 3.16Å; R679-M741 PolarHBondContact NH2-O 3.46Å; V683-M741 HydrophobicContact CG2-CE 3.98Å; V683-M741 HydrophobicContact CG2-CG 3.79Å; V683-M741 HydrophobicContact CG2-SD 3.97Å; C737-M741 VanDerWaalsContact O-CG 3.32Å; C737-M741 WeakPolarHBondContact O-CG 3.46Å; C737-M741 PolarHBondContact O-N 3.17Å; A738-M741 WeakPolarHBondContact O-CB 3.41Å; A738-M741 PolarHBondContact O-N 3.23Å; N739-M741 PolarHBondContact O-N 3.36Å
742	A	83.8	Confident	78.6	Confident	26 Å²	26	67.8 Å²	67.8	22%	0.215	36%	0.355	C	S	.	.			trans	-63.2	150.1	179.9	0	0	0	0	0	111.3	N739 D747 I748	N739-A742 VanDerWaalsContact O-CB 3.25Å; N739-A742 WeakPolarHBondContact O-CB 3.18Å; N739-A742 PolarHBondContact O-N 3.39Å; N739-A742 VanDerWaalsContact O-N 3.13Å; A742-D747 HydrophobicContact CB-CB 4.46Å; A742-I748 HydrophobicContact CB-CG1 4.26Å
743	A	72.6	Confident	77.7	Confident	54 Å²	54	63.4 Å²	63.4	45%	0.446	34%	0.343	S	S	.	.	S	Bend	trans	-76	-46.9	179.2	0	0	0	0	0	110.9
744	N	72.9	Confident	76.7	Confident	104 Å²	104	66.3 Å²	66.3	56%	0.556	36%	0.359	S	S	*	.	S	Bend	trans	-125.7	158.4	175.8	-60.2	-65.1	0	0	0	111.9	R746 D747	N744-R746 PolarHBondContact O-N 3.4Å; N744-R746 VanDerWaalsContact O-N 3.15Å; N744-D747 WeakPolarHBondContact CB-OD2 3.4Å; N744-D747 PolarHBondContact N-OD2 3.02Å; N744-D747 PolarHBondContact ND2-OD2 3.37Å; N744-D747 WeakPolarHBondContact O-CB 3.31Å; N744-D747 PolarHBondContact O-N 3.48Å
745	V	68.6	Low	75.7	Confident	125 Å²	125	70 Å²	70	76%	0.758	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-57.6	-28.4	173.2	179.7	0	0	0	0	111.9	D747 I748	V745-D747 VanDerWaalsContact C-N 3.3Å; V745-I748 HydrophobicContact CG1-CD1 4.27Å; V745-I748 WeakPolarHBondContact O-CB 3.37Å; V745-I748 WeakPolarHBondContact O-CG1 3.48Å; V745-I748 PolarHBondContact O-N 2.96Å
746	R	60.3	Low	74.5	Confident	237 Å²	237	73.4 Å²	73.4	89%	0.894	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-77.4	-13.6	177	-62.6	-176.9	-177.3	173.6	0.8	114.2	N744 I748	N744-R746 PolarHBondContact O-N 3.4Å; N744-R746 VanDerWaalsContact O-N 3.15Å; R746-I748 VanDerWaalsContact C-N 3.27Å
747	D	65.1	Low	73.3	Confident	96 Å²	96	75.8 Å²	75.8	51%	0.513	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-90.8	2.6	177.6	-53	-34.4	0	0	0	111.2	A742 N744 V745	A742-D747 HydrophobicContact CB-CB 4.46Å; N744-D747 WeakPolarHBondContact CB-OD2 3.4Å; N744-D747 PolarHBondContact N-OD2 3.02Å; N744-D747 PolarHBondContact ND2-OD2 3.37Å; N744-D747 WeakPolarHBondContact O-CB 3.31Å; N744-D747 PolarHBondContact O-N 3.48Å; V745-D747 VanDerWaalsContact C-N 3.3Å
748	I	71.8	Confident	71.9	Confident	44 Å²	44	80.8 Å²	80.8	23%	0.226	43%	0.427	C	S	.	.	S	Bend	trans	-73.2	134.2	174.4	-62.5	174.9	0	0	0	108.2	N739 A742 V745 R746 D750	N739-I748 HydrophobicContact CB-CD1 4.36Å; N739-I748 HydrophobicContact CB-CG1 4.43Å; A742-I748 HydrophobicContact CB-CG1 4.26Å; V745-I748 HydrophobicContact CG1-CD1 4.27Å; V745-I748 WeakPolarHBondContact O-CB 3.37Å; V745-I748 WeakPolarHBondContact O-CG1 3.48Å; V745-I748 PolarHBondContact O-N 2.96Å; R746-I748 VanDerWaalsContact C-N 3.27Å; I748-D750 PolarHBondContact O-N 2.94Å; I748-D750 VanDerWaalsContact O-N 3.15Å
749	D	61.5	Low	70.3	Confident	55 Å²	55	86.1 Å²	86.1	29%	0.294	45%	0.454	S	S	.	.			trans	-72.3	104.1	178.5	-162.5	-11.5	0	0	0	109.5	R653 E751	R653-D749 IonicContact CZ-OD2 3.54Å; R653-D749 IonicContact NE-OD2 3.66Å; R653-D749 IonicContact NH2-OD2 2.71Å; R653-D749 PolarHBondContact NH2-OD2 2.91Å; D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact OD1-N 3.35Å
750	D	57.7	Low	68.6	Low	152 Å²	152	88.9 Å²	88.9	81%	0.813	47%	0.468	S	S	*	.			trans	-79.4	-7.8	178.1	-72.2	-26.8	0	0	0	112.4	I748	I748-D750 PolarHBondContact O-N 2.94Å; I748-D750 VanDerWaalsContact O-N 3.15Å
751	E	49.9	Very low	66.7	Low	171 Å²	171	93.6 Å²	93.6	80%	0.799	49%	0.485	S	S	*	.			trans	-102.9	65.6	-179.9	-67.5	-168.8	173	0	0	111.9	D749	D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact OD1-N 3.35Å
752	I	46.8	Very low	64.6	Low	59 Å²	59	102.1 Å²	102.1	30%	0.303	53%	0.529	S	S	.	.			trans	-89.8	0	171.9	-45.3	179.2	0	0	0	111.8	W643 R646 Q735	W643-I752 HydrophobicContact CD2-CG2 4.44Å; W643-I752 HydrophobicContact CE3-CB 4.24Å; W643-I752 HydrophobicContact CE3-CG2 3.32Å; W643-I752 VanDerWaalsContact CH2-C 3.48Å; W643-I752 HydrophobicContact CH2-CB 4.17Å; W643-I752 HydrophobicContact CH2-CG2 4.08Å; W643-I752 WeakPolarHBondContact CH2-O 3.44Å; W643-I752 HydrophobicContact CZ3-CB 3.51Å; W643-I752 HydrophobicContact CZ3-CG2 3.12Å; R646-I752 HydrophobicContact CB-CG2 4.37Å; R646-I752 WeakPolarHBondContact CD-OXT 3.43Å; R646-I752 PolarHBondContact NH1-OXT 2.99Å; Q735-I752 HydrophobicContact CG-CD1 3.57Å

Retrieved 752 of 752 residues in 622.6 ms (Link to these results)

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