A0A087XTT3_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB (A0A3B3VI15), UniProt , Accession A0A087XTT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 696 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42	Very low	53.8	Low	229 Å²	229	205.3 Å²	205.3	100%	1.128	91%	0.908	S	S	*	*				0	135.3	0	-63.8	178.2	-177.4	0	0	108.9
2	F	38.8	Very low	54.5	Low	211 Å²	211	201.6 Å²	201.6	93%	0.925	90%	0.901	S	S	*	*			trans	-135.6	103.3	176.1	-69	-71	0	0	0	112.3	K4	F2-K4 PolarHBondContact O-N 3.13Å
3	R	46.7	Very low	55.9	Low	249 Å²	249	194.2 Å²	194.2	94%	0.94	89%	0.889	S	S	*	*			trans	-76.1	115	171.6	-85	179.3	161.9	179.5	-5.4	109.8	K5	R3-K5 PolarHBondContact O-N 3.46Å
4	K	50.2	Low	56.4	Low	208 Å²	208	186 Å²	186	90%	0.904	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-61.8	116.7	171.4	-68.7	-177.9	178.2	178.6	0	109.8	F2 K6	F2-K4 PolarHBondContact O-N 3.13Å; K4-K6 PolarHBondContact O-N 2.93Å
5	K	53.2	Low	57.2	Low	205 Å²	205	182.5 Å²	182.5	89%	0.891	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-65.8	128.8	173.8	-71.3	179.9	177	176.3	0	109.5	R3 K7	R3-K5 PolarHBondContact O-N 3.46Å; K5-K7 PolarHBondContact O-N 3.43Å
6	K	56.3	Low	58.1	Low	204 Å²	204	182.6 Å²	182.6	89%	0.887	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-66.6	129.2	170.3	-69.6	-175.9	176.7	-178.1	0	109	K4	K4-K6 PolarHBondContact O-N 2.93Å
7	K	59.1	Low	58.5	Low	209 Å²	209	181.3 Å²	181.3	91%	0.909	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-66	135	170	-67.1	-175.2	176.8	-176.5	0	108.9	K5	K5-K7 PolarHBondContact O-N 3.43Å
8	K	63.4	Low	58.8	Low	201 Å²	201	181.3 Å²	181.3	87%	0.874	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-64.9	149.1	170.2	-79.5	-169.6	172.1	-170.2	0	109.6
9	R	58	Low	59.3	Low	233 Å²	233	178.2 Å²	178.2	88%	0.879	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-64.7	145.2	163.6	-92.7	-179.2	164.5	170.4	-5.9	109.1
10	P	59	Low	59.3	Low	113 Å²	113	175.2 Å²	175.2	73%	0.734	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-68.8	134.1	167	30	-33.1	0	0	0	109.6
11	E	64.6	Low	59.4	Low	196 Å²	196	176.4 Å²	176.4	92%	0.916	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-90.3	119.8	169.4	-72	170.9	172.4	0	0	107.9
12	I	62	Low	60.6	Low	161 Å²	161	169.6 Å²	169.6	83%	0.826	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-97.1	122.6	178.5	-56.4	177	0	0	0	107.3
13	S	72.8	Confident	62.3	Low	106 Å²	106	165.6 Å²	165.6	74%	0.741	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.5	155.8	177.9	50.4	0	0	0	0	111.9
14	A	62.8	Low	64	Low	79 Å²	79	156.7 Å²	156.7	65%	0.653	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-61.7	139.6	172	0	0	0	0	0	110.5
15	P	69.1	Low	65.1	Low	133 Å²	133	149.2 Å²	149.2	86%	0.864	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-62.6	140.4	-178.3	26.2	-34.6	0	0	0	111.2
16	K	71.2	Confident	66.3	Low	184 Å²	184	144.5 Å²	144.5	80%	0.8	71%	0.711	S	S	*	*			trans	-117.8	160.8	173.5	-63.3	-174.1	179	-175.9	0	109.2
17	N	65.9	Low	67.4	Low	161 Å²	161	137 Å²	137	86%	0.861	68%	0.68	S	S	*	*			trans	61.8	56.9	178.2	-51.1	-3.4	0	0	0	113.5
18	F	62.4	Low	67.9	Low	181 Å²	181	131.1 Å²	131.1	79%	0.794	67%	0.67	S	S	*	*			trans	-72.9	127	170.3	179	-94	0	0	0	111	H20	F18-H20 HydrophobicContact CE1-CB 3.92Å
19	E	68.1	Low	68.6	Low	123 Å²	123	131.2 Å²	131.2	58%	0.575	67%	0.671	S	S	*	*			trans	-112	121.8	176.2	-174.8	-175.3	-162.8	0	0	110	R21	E19-R21 VanDerWaalsContact C-N 3.35Å; E19-R21 HydrophobicContact CB-CG 4.41Å; E19-R21 HydrophobicContact CG-CG 3.95Å; E19-R21 PolarHBondContact O-N 2.97Å; E19-R21 IonicContact OE2-CZ 2.83Å; E19-R21 IonicContact OE2-NE 2.8Å; E19-R21 PolarHBondContact OE2-NE 3.28Å; E19-R21 IonicContact OE2-NH2 3.28Å; E19-R21 PolarHBondContact OE2-NH2 3.16Å
20	H	60.5	Low	69.3	Low	117 Å²	117	129.2 Å²	129.2	54%	0.542	66%	0.663	S	S	.	*			trans	-83.5	73.7	-175.4	-169.4	-74.5	0	0	0	112	F18 V22 H23	F18-H20 HydrophobicContact CE1-CB 3.92Å; H20-V22 PolarHBondContact CE1-O 3.22Å; H20-V22 PolarHBondContact O-N 3.3Å; H20-H23 AromaticContact CE1-ND1 3.83Å
21	R	61.5	Low	70.1	Confident	202 Å²	202	126.5 Å²	126.5	76%	0.762	66%	0.656	S	S	*	*			trans	-67.7	-22	-169.1	-68.3	-175.1	174.9	-164.6	-7.7	116.9	E19	E19-R21 VanDerWaalsContact C-N 3.35Å; E19-R21 HydrophobicContact CB-CG 4.41Å; E19-R21 HydrophobicContact CG-CG 3.95Å; E19-R21 PolarHBondContact O-N 2.97Å; E19-R21 IonicContact OE2-CZ 2.83Å; E19-R21 IonicContact OE2-NE 2.8Å; E19-R21 PolarHBondContact OE2-NE 3.28Å; E19-R21 IonicContact OE2-NH2 3.28Å; E19-R21 PolarHBondContact OE2-NH2 3.16Å
22	V	67.2	Low	70.8	Confident	85 Å²	85	119.4 Å²	119.4	52%	0.515	63%	0.628	S	S	.	*			trans	-141	125.3	-178.6	-177.9	0	0	0	0	109.4	H20 G35	H20-V22 PolarHBondContact CE1-O 3.22Å; H20-V22 PolarHBondContact O-N 3.3Å; V22-G35 WeakPolarHBondContact CG1-O 3.37Å
23	H	74.8	Confident	71.5	Confident	128 Å²	128	116.9 Å²	116.9	59%	0.593	61%	0.611	S	S	*	*			trans	-115.7	108.3	170.7	-175.1	81.8	0	0	0	109.9	H20 G35	H20-H23 AromaticContact CE1-ND1 3.83Å; H23-G35 WeakPolarHBondContact O-CA 3.49Å
24	T	81	Confident	71.8	Confident	62 Å²	62	114.4 Å²	114.4	38%	0.38	59%	0.591	S	S	.	*			trans	-99.1	128.9	175.3	-49.3	0	0	0	0	110.2	V34 G35 L36	T24-V34 WeakPolarHBondContact CA-O 3.43Å; T24-G35 PolarHBondContact OG1-O 2.62Å; T24-L36 HydrophobicContact CG2-CD2 3.62Å; T24-L36 HydrophobicContact CG2-CG 3.83Å
25	S	74.8	Confident	72.5	Confident	50 Å²	50	112.7 Å²	112.7	35%	0.35	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.4	177.2	174.9	66.3	0	0	0	0	111	F33 V34	S25-F33 CarbonylContact O-C 3.55Å; S25-F33 WeakPolarHBondContact O-CA 3.49Å; S25-V34 PolarHBondContact N-O 3.05Å; S25-V34 PolarHBondContact O-N 3.3Å; S25-V34 VanDerWaalsContact OG-CG2 3.3Å; S25-V34 WeakPolarHBondContact OG-CG2 3.3Å
26	F	77.6	Confident	72.9	Confident	107 Å²	107	108 Å²	108	47%	0.469	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119	-179	-177.1	-102.9	0	0	0	110.3	A28 F33	F26-A28 HydrophobicContact CD1-CB 4.39Å; F26-A28 HydrophobicContact CE1-CB 4.34Å; F26-A28 PolarHBondContact O-N 3.05Å; F26-F33 HydrophobicContact CB-CD1 4Å; F26-F33 HydrophobicContact CB-CE1 3.96Å; F26-F33 AromaticContact CD2-CD1 3.87Å; F26-F33 HydrophobicContact CD2-CD1 3.87Å; F26-F33 AromaticContact CD2-CD2 3.96Å; F26-F33 HydrophobicContact CD2-CD2 3.96Å; F26-F33 AromaticContact CD2-CE1 3.8Å; F26-F33 HydrophobicContact CD2-CE1 3.8Å; F26-F33 AromaticContact CD2-CE2 3.89Å; F26-F33 HydrophobicContact CD2-CE2 3.89Å; F26-F33 AromaticContact CD2-CG 3.94Å; F26-F33 HydrophobicContact CD2-CG 3.94Å; F26-F33 AromaticContact CD2-CZ 3.8Å; F26-F33 HydrophobicContact CD2-CZ 3.8Å; F26-F33 HydrophobicContact CE2-CD2 4.37Å; F26-F33 HydrophobicContact CE2-CE2 4.18Å; F26-F33 HydrophobicContact CE2-CZ 4.4Å; F26-F33 HydrophobicContact CG-CD1 4.43Å; F26-F33 HydrophobicContact CG-CE1 4.26Å
27	D	79.5	Confident	73.2	Confident	46 Å²	46	101.6 Å²	101.6	25%	0.246	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	97.9	174.3	-176.1	-19.1	0	0	0	109.2	K29 R30 G31 C32 V34	D27-K29 PolarHBondContact O-N 3.18Å; D27-K29 WeakPolarHBondContact OD1-CA 3.11Å; D27-K29 WeakPolarHBondContact OD1-CB 3.34Å; D27-K29 PolarHBondContact OD1-N 2.85Å; D27-R30 HydrophobicContact CB-CB 4.2Å; D27-R30 PolarHBondContact O-N 3.19Å; D27-R30 VanDerWaalsContact O-N 3.12Å; D27-R30 PolarHBondContact OD1-N 2.86Å; D27-R30 VanDerWaalsContact OD1-N 3.17Å; D27-R30 WeakPolarHBondContact OD2-CD 3.44Å; D27-R30 VanDerWaalsContact OD2-CG 3.24Å; D27-R30 WeakPolarHBondContact OD2-CG 3.33Å; D27-G31 PolarHBondContact O-N 3.32Å; D27-C32 PolarHBondContact N-O 3.27Å; D27-C32 PolarHBondContact O-N 3.08Å; D27-V34 HydrophobicContact CB-CG1 4.06Å
28	A	70.6	Confident	73.4	Confident	85 Å²	85	99.6 Å²	99.6	70%	0.702	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.7	179.2	0	0	0	0	0	114.3	F26	F26-A28 HydrophobicContact CD1-CB 4.39Å; F26-A28 HydrophobicContact CE1-CB 4.34Å; F26-A28 PolarHBondContact O-N 3.05Å
29	K	76.1	Confident	73.7	Confident	204 Å²	204	98.2 Å²	98.2	89%	0.887	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-29	173.7	-64.4	-176.8	177.2	-178.8	0	112.2	D27	D27-K29 PolarHBondContact O-N 3.18Å; D27-K29 WeakPolarHBondContact OD1-CA 3.11Å; D27-K29 WeakPolarHBondContact OD1-CB 3.34Å; D27-K29 PolarHBondContact OD1-N 2.85Å
30	R	73.3	Confident	73.7	Confident	190 Å²	190	99.7 Å²	99.7	72%	0.717	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-11.3	-179.2	-60.9	-178.9	75.2	175.4	2.1	113.6	D27 C32	D27-R30 HydrophobicContact CB-CB 4.2Å; D27-R30 PolarHBondContact O-N 3.19Å; D27-R30 VanDerWaalsContact O-N 3.12Å; D27-R30 PolarHBondContact OD1-N 2.86Å; D27-R30 VanDerWaalsContact OD1-N 3.17Å; D27-R30 WeakPolarHBondContact OD2-CD 3.44Å; D27-R30 VanDerWaalsContact OD2-CG 3.24Å; D27-R30 WeakPolarHBondContact OD2-CG 3.33Å; R30-C32 VanDerWaalsContact C-N 3.25Å; R30-C32 VanDerWaalsContact CB-SG 3.56Å; R30-C32 PolarHBondContact O-N 3.28Å
31	G	76.6	Confident	74.3	Confident	56 Å²	56	98.3 Å²	98.3	58%	0.577	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	17.3	180	0	0	0	0	0	114.1	D27	D27-G31 PolarHBondContact O-N 3.32Å
32	C	78.1	Confident	74.4	Confident	48 Å²	48	91.6 Å²	91.6	32%	0.324	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.7	-171.6	65.3	0	0	0	0	112.7	D27 R30	D27-C32 PolarHBondContact N-O 3.27Å; D27-C32 PolarHBondContact O-N 3.08Å; R30-C32 VanDerWaalsContact C-N 3.25Å; R30-C32 VanDerWaalsContact CB-SG 3.56Å; R30-C32 PolarHBondContact O-N 3.28Å
33	F	78.3	Confident	74.2	Confident	108 Å²	108	93.3 Å²	93.3	47%	0.474	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.7	170.3	-68.7	-85	0	0	0	110.5	S25 F26 L36 I44	S25-F33 CarbonylContact O-C 3.55Å; S25-F33 WeakPolarHBondContact O-CA 3.49Å; F26-F33 HydrophobicContact CB-CD1 4Å; F26-F33 HydrophobicContact CB-CE1 3.96Å; F26-F33 AromaticContact CD2-CD1 3.87Å; F26-F33 HydrophobicContact CD2-CD1 3.87Å; F26-F33 AromaticContact CD2-CD2 3.96Å; F26-F33 HydrophobicContact CD2-CD2 3.96Å; F26-F33 AromaticContact CD2-CE1 3.8Å; F26-F33 HydrophobicContact CD2-CE1 3.8Å; F26-F33 AromaticContact CD2-CE2 3.89Å; F26-F33 HydrophobicContact CD2-CE2 3.89Å; F26-F33 AromaticContact CD2-CG 3.94Å; F26-F33 HydrophobicContact CD2-CG 3.94Å; F26-F33 AromaticContact CD2-CZ 3.8Å; F26-F33 HydrophobicContact CD2-CZ 3.8Å; F26-F33 HydrophobicContact CE2-CD2 4.37Å; F26-F33 HydrophobicContact CE2-CE2 4.18Å; F26-F33 HydrophobicContact CE2-CZ 4.4Å; F26-F33 HydrophobicContact CG-CD1 4.43Å; F26-F33 HydrophobicContact CG-CE1 4.26Å; F33-L36 HydrophobicContact CB-CD1 3.54Å; F33-L36 HydrophobicContact CB-CG 3.86Å; F33-L36 HydrophobicContact CG-CD1 4.41Å; F33-I44 HydrophobicContact CD2-CD1 4.34Å
34	V	79	Confident	73.9	Confident	53 Å²	53	91.4 Å²	91.4	32%	0.321	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147	178.1	-64	0	0	0	0	109.8	T24 S25 D27 L36	T24-V34 WeakPolarHBondContact CA-O 3.43Å; S25-V34 PolarHBondContact N-O 3.05Å; S25-V34 PolarHBondContact O-N 3.3Å; S25-V34 VanDerWaalsContact OG-CG2 3.3Å; S25-V34 WeakPolarHBondContact OG-CG2 3.3Å; D27-V34 HydrophobicContact CB-CG1 4.06Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 3.01Å
35	G	77	Confident	73	Confident	44 Å²	44	94.8 Å²	94.8	45%	0.454	50%	0.504	S	S	.	.	S	Bend	trans	68.1	27.6	-175.6	0	0	0	0	0	114.3	V22 H23 T24	V22-G35 WeakPolarHBondContact CG1-O 3.37Å; H23-G35 WeakPolarHBondContact O-CA 3.49Å; T24-G35 PolarHBondContact OG1-O 2.62Å
36	L	77.8	Confident	72.2	Confident	33 Å²	33	98.6 Å²	98.6	17%	0.173	52%	0.521	C	S	.	.			trans	-72	147.1	164.5	-80.9	171.2	0	0	0	110.6	T24 F33 V34 W40 I44	T24-L36 HydrophobicContact CG2-CD2 3.62Å; T24-L36 HydrophobicContact CG2-CG 3.83Å; F33-L36 HydrophobicContact CB-CD1 3.54Å; F33-L36 HydrophobicContact CB-CG 3.86Å; F33-L36 HydrophobicContact CG-CD1 4.41Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 3.01Å; L36-W40 HydrophobicContact CD2-CB 4.04Å; L36-W40 HydrophobicContact CD2-CE3 4.04Å; L36-I44 HydrophobicContact CD1-CD1 3.66Å
37	P	76.9	Confident	71.1	Confident	51 Å²	51	99.3 Å²	99.3	33%	0.331	53%	0.529	S	S	.	.			trans	-57.8	140.5	159.1	-20.8	33.3	0	0	0	110.6	Q39 W40 Q41	P37-Q39 PolarHBondContact O-N 3.27Å; P37-Q39 VanDerWaalsContact O-N 3.11Å; P37-W40 WeakPolarHBondContact O-CB 3.29Å; P37-W40 PolarHBondContact O-N 2.86Å; P37-Q41 PolarHBondContact O-N 3.37Å
38	T	70.6	Confident	69.8	Low	118 Å²	118	108.8 Å²	108.8	72%	0.724	56%	0.561	S	S	*	*	H	α-helix	trans	-56.4	-31	-177.9	40.9	0	0	0	0	113.8	W40	T38-W40 PolarHBondContact O-N 3.42Å
39	Q	67.5	Low	69	Low	153 Å²	153	114.7 Å²	114.7	72%	0.715	57%	0.565	S	S	*	*	H	α-helix	trans	-64	-21.5	174.1	-65.9	177.3	-10	0	0	114.2	P37 S42	P37-Q39 PolarHBondContact O-N 3.27Å; P37-Q39 VanDerWaalsContact O-N 3.11Å; Q39-S42 PolarHBondContact O-OG 2.58Å
40	W	68.3	Low	67.8	Low	154 Å²	154	110.3 Å²	110.3	58%	0.583	56%	0.558	S	S	*	*	H	α-helix	trans	-97.6	-29.7	-177.8	-71.1	33.4	0	0	0	111.9	L36 P37 T38 S42 L43 I44	L36-W40 HydrophobicContact CD2-CB 4.04Å; L36-W40 HydrophobicContact CD2-CE3 4.04Å; P37-W40 WeakPolarHBondContact O-CB 3.29Å; P37-W40 PolarHBondContact O-N 2.86Å; T38-W40 PolarHBondContact O-N 3.42Å; W40-S42 PolarHBondContact O-N 2.69Å; W40-L43 PolarHBondContact O-N 2.94Å; W40-I44 PolarHBondContact O-N 2.95Å
41	Q	72.9	Confident	66.7	Low	88 Å²	88	112.8 Å²	112.8	41%	0.411	57%	0.567	S	S	.	*	H	α-helix	trans	-61.4	-44.1	177.3	-175.6	172.6	-7.7	0	0	111.6	P37 L43 I44 E45	P37-Q41 PolarHBondContact O-N 3.37Å; Q41-L43 PolarHBondContact O-N 2.59Å; Q41-I44 PolarHBondContact O-N 2.89Å; Q41-I44 VanDerWaalsContact O-N 3.1Å; Q41-E45 HydrophobicContact CG-CG 4.42Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.32Å; Q41-E45 PolarHBondContact NE2-OE1 3.4Å; Q41-E45 PolarHBondContact O-N 3.27Å; Q41-E45 VanDerWaalsContact O-N 3.16Å
42	S	63.8	Low	65.4	Low	61 Å²	61	114.7 Å²	114.7	43%	0.427	57%	0.569	S	S	.	*	H	α-helix	trans	-63.2	-24.2	177.7	59	0	0	0	0	114.3	Q39 W40 N46	Q39-S42 PolarHBondContact O-OG 2.58Å; W40-S42 PolarHBondContact O-N 2.69Å; S42-N46 PolarHBondContact O-ND2 2.86Å
43	L	64.9	Low	63.9	Low	121 Å²	121	121.9 Å²	121.9	63%	0.634	60%	0.6	S	S	*	*	H	α-helix	trans	-78.3	-29.2	175.3	-70.6	170.7	0	0	0	112.6	W40 Q41 L47	W40-L43 PolarHBondContact O-N 2.94Å; Q41-L43 PolarHBondContact O-N 2.59Å; L43-L47 WeakPolarHBondContact O-CD1 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å
44	I	68.4	Low	62.6	Low	87 Å²	87	121.8 Å²	121.8	45%	0.446	61%	0.608	S	S	.	*	H	α-helix	trans	-84	-43.8	-176.9	-67.8	169.9	0	0	0	110.8	F33 L36 W40 Q41 N46 L47	F33-I44 HydrophobicContact CD2-CD1 4.34Å; L36-I44 HydrophobicContact CD1-CD1 3.66Å; W40-I44 PolarHBondContact O-N 2.95Å; Q41-I44 PolarHBondContact O-N 2.89Å; Q41-I44 VanDerWaalsContact O-N 3.1Å; I44-N46 VanDerWaalsContact C-N 3.28Å; I44-N46 PolarHBondContact O-N 2.71Å; I44-L47 PolarHBondContact O-N 2.69Å
45	E	62	Low	61.1	Low	134 Å²	134	123.6 Å²	123.6	63%	0.626	62%	0.616	S	S	*	*	H	α-helix	trans	-67.2	-25.4	-175	-69	174.9	-179.3	0	0	113.7	Q41	Q41-E45 HydrophobicContact CG-CG 4.42Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.32Å; Q41-E45 PolarHBondContact NE2-OE1 3.4Å; Q41-E45 PolarHBondContact O-N 3.27Å; Q41-E45 VanDerWaalsContact O-N 3.16Å
46	N	57.3	Low	59.8	Low	129 Å²	129	126 Å²	126	69%	0.69	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-5.9	-178.1	-75.9	-64.5	0	0	0	114.8	S42 I44 R48	S42-N46 PolarHBondContact O-ND2 2.86Å; I44-N46 VanDerWaalsContact C-N 3.28Å; I44-N46 PolarHBondContact O-N 2.71Å; N46-R48 VanDerWaalsContact C-N 3.32Å; N46-R48 PolarHBondContact O-N 2.72Å
47	L	54.8	Low	58.6	Low	122 Å²	122	128.8 Å²	128.8	64%	0.639	65%	0.646	S	S	*	*			trans	-82.5	66.9	-176	-74.8	169.9	0	0	0	113.4	L43 I44 R49	L43-L47 WeakPolarHBondContact O-CD1 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; I44-L47 PolarHBondContact O-N 2.69Å; L47-R49 PolarHBondContact O-N 3.46Å
48	R	52.7	Low	57.5	Low	246 Å²	246	136.9 Å²	136.9	93%	0.928	67%	0.67	S	S	*	*			trans	-70.3	62.5	168	-72.7	-170.4	176.8	-173.8	0.5	112.4	N46	N46-R48 VanDerWaalsContact C-N 3.32Å; N46-R48 PolarHBondContact O-N 2.72Å
49	R	53.7	Low	56.5	Low	208 Å²	208	137.1 Å²	137.1	79%	0.785	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-74.1	137.8	170.3	-170.2	175.8	-68	-166.2	-0.6	109.5	L47	L47-R49 PolarHBondContact O-N 3.46Å
50	P	49.6	Very low	55.2	Low	113 Å²	113	135.3 Å²	135.3	73%	0.734	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-54.8	145.4	172.4	-26.4	35.3	0	0	0	112
51	R	50.5	Low	53.9	Low	242 Å²	242	137.7 Å²	137.7	91%	0.913	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-63.4	139.8	175	-66.5	-175.3	-179.4	-174	0.6	109.5
52	P	49.7	Very low	52.2	Low	96 Å²	96	139 Å²	139	62%	0.623	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-62.6	149.5	175.3	27.8	-34.7	0	0	0	110.8	V54	P52-V54 PolarHBondContact O-N 2.82Å
53	M	47.3	Very low	50.9	Low	198 Å²	198	142.5 Å²	142.5	98%	0.975	71%	0.706	S	S	*	*	S	Bend	trans	-67.3	0.6	179.8	-73.7	171.1	57.7	0	0	114.8
54	V	50.1	Low	49.9	Very low	106 Å²	106	144.8 Å²	144.8	64%	0.642	72%	0.718	S	S	*	*	S	Bend	trans	-128.9	129	179.7	-176.7	0	0	0	0	108.6	P52 P56	P52-V54 PolarHBondContact O-N 2.82Å; V54-P56 WeakPolarHBondContact O-CD 3.24Å
55	D	47.4	Very low	48.6	Very low	92 Å²	92	148.5 Å²	148.5	49%	0.492	73%	0.727	S	S	.	*			trans	-71.2	118.5	178.1	-172.6	-24.9	0	0	0	110.8	S57 R58	D55-S57 PolarHBondContact O-N 3.19Å; D55-S57 VanDerWaalsContact O-N 3.16Å; D55-S57 VanDerWaalsContact OD1-CB 3.29Å; D55-S57 WeakPolarHBondContact OD1-CB 3.23Å; D55-S57 PolarHBondContact OD1-N 3.04Å; D55-S57 PolarHBondContact OD1-OG 3.47Å; D55-S57 PolarHBondContact OD2-OG 3.46Å; D55-R58 PolarHBondContact O-N 3.12Å
56	P	49.5	Very low	47.7	Very low	93 Å²	93	147.9 Å²	147.9	60%	0.604	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-61.8	-20.8	179.8	-23.2	34.9	0	0	0	114.5	V54 R58 I59	V54-P56 WeakPolarHBondContact O-CD 3.24Å; P56-R58 PolarHBondContact O-N 3.08Å; P56-I59 PolarHBondContact O-N 3.49Å
57	S	53.3	Low	47.2	Very low	93 Å²	93	151.7 Å²	151.7	65%	0.65	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-69.8	-9.2	-178.1	67.2	0	0	0	0	114.5	D55	D55-S57 PolarHBondContact O-N 3.19Å; D55-S57 VanDerWaalsContact O-N 3.16Å; D55-S57 VanDerWaalsContact OD1-CB 3.29Å; D55-S57 WeakPolarHBondContact OD1-CB 3.23Å; D55-S57 PolarHBondContact OD1-N 3.04Å; D55-S57 PolarHBondContact OD1-OG 3.47Å; D55-S57 PolarHBondContact OD2-OG 3.46Å
58	R	52.5	Low	46.2	Very low	220 Å²	220	155.3 Å²	155.3	83%	0.83	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-107	11.5	-179.4	-64.1	-170.8	175.9	-158.5	-2.3	114.5	D55 P56	D55-R58 PolarHBondContact O-N 3.12Å; P56-R58 PolarHBondContact O-N 3.08Å
59	I	50.3	Low	45.6	Very low	123 Å²	123	149.6 Å²	149.6	63%	0.631	75%	0.748	S	S	*	*	S	Bend	trans	-83.3	128.2	174.7	-60.2	177.7	0	0	0	109	P56	P56-I59 PolarHBondContact O-N 3.49Å
60	T	40.4	Very low	44.6	Very low	116 Å²	116	147.1 Å²	147.1	71%	0.712	75%	0.749	S	S	*	*			trans	-41.6	141.5	-177.8	46.6	0	0	0	0	114.9	V62	T60-V62 PolarHBondContact O-N 3.44Å
61	E	40.5	Very low	44	Very low	204 Å²	204	147.7 Å²	147.7	95%	0.953	75%	0.75	S	S	*	*			trans	-49	123.9	172.4	-75.9	-173.4	117.2	0	0	112.3
62	V	38.4	Very low	43.2	Very low	114 Å²	114	147.2 Å²	147.2	69%	0.691	75%	0.748	S	S	*	*			trans	-103.4	99.1	175.4	-177.6	0	0	0	0	109	T60 L64	T60-V62 PolarHBondContact O-N 3.44Å; V62-L64 PolarHBondContact O-N 3.21Å; V62-L64 VanDerWaalsContact O-N 3.15Å
63	E	36.5	Very low	42.4	Very low	136 Å²	136	145.5 Å²	145.5	64%	0.636	75%	0.748	S	S	*	*			trans	-56.2	113.7	172.1	-176.7	-171	-121.2	0	0	110.6	R65	E63-R65 PolarHBondContact O-N 2.83Å; E63-R65 IonicContact OE2-CZ 3.69Å; E63-R65 IonicContact OE2-NE 2.69Å; E63-R65 PolarHBondContact OE2-NE 3.28Å; E63-R65 IonicContact OE2-NH2 3.57Å; E63-R65 PolarHBondContact OE2-NH2 3.18Å
64	L	43.5	Very low	42.1	Very low	168 Å²	168	141.7 Å²	141.7	88%	0.88	74%	0.741	S	S	*	*			trans	-74.3	89.9	-175.8	-74.5	174.5	0	0	0	112	V62	V62-L64 PolarHBondContact O-N 3.21Å; V62-L64 VanDerWaalsContact O-N 3.15Å
65	R	39.9	Very low	41.4	Very low	165 Å²	165	145.6 Å²	145.6	62%	0.623	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-73.5	156.7	179.5	-69	-177.8	179.3	175.6	1.2	113.6	E63	E63-R65 PolarHBondContact O-N 2.83Å; E63-R65 IonicContact OE2-CZ 3.69Å; E63-R65 IonicContact OE2-NE 2.69Å; E63-R65 PolarHBondContact OE2-NE 3.28Å; E63-R65 IonicContact OE2-NH2 3.57Å; E63-R65 PolarHBondContact OE2-NH2 3.18Å
66	P	43.3	Very low	41	Very low	122 Å²	122	145.8 Å²	145.8	79%	0.792	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-58.9	146.6	-176.4	-24.9	34.9	0	0	0	114	K68	P66-K68 PolarHBondContact O-N 3.44Å
67	K	46.6	Very low	40.6	Very low	208 Å²	208	143.3 Å²	143.3	90%	0.904	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60.1	125.2	177.7	-66.8	178.5	-179.7	175.5	0	110.6	T69	K67-T69 PolarHBondContact O-N 2.99Å
68	K	34.1	Very low	40.4	Very low	198 Å²	198	146.4 Å²	146.4	86%	0.861	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-64.7	122.4	169.8	-73.8	-175.8	175.6	-179.3	0	110.3	P66 I70	P66-K68 PolarHBondContact O-N 3.44Å; K68-I70 PolarHBondContact O-N 3.15Å
69	T	39.8	Very low	40.1	Very low	127 Å²	127	138.1 Å²	138.1	78%	0.779	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-66.8	118.2	165.4	-52.9	0	0	0	0	109.1	K67 V71	K67-T69 PolarHBondContact O-N 2.99Å; T69-V71 PolarHBondContact O-N 3.35Å
70	I	33.5	Very low	40	Very low	155 Å²	155	138.3 Å²	138.3	80%	0.795	74%	0.735	S	S	*	*			trans	-78.2	92.7	174.3	-57.8	175.7	0	0	0	108.3	K68 R72	K68-I70 PolarHBondContact O-N 3.15Å; I70-R72 PolarHBondContact O-N 3.05Å
71	V	37.6	Very low	40.6	Very low	125 Å²	125	138.1 Å²	138.1	76%	0.758	72%	0.722	S	S	*	*			trans	-70.6	109.6	163.2	-177.9	0	0	0	0	107.3	T69 G73	T69-V71 PolarHBondContact O-N 3.35Å; V71-G73 PolarHBondContact O-N 2.68Å; V71-G73 VanDerWaalsContact O-N 3.14Å
72	R	33.4	Very low	41.2	Very low	232 Å²	232	130.4 Å²	130.4	88%	0.875	69%	0.687	S	S	*	*			trans	-63.6	112.1	161.5	-83.8	-178.2	170.1	159.7	-3.2	107.1	I70	I70-R72 PolarHBondContact O-N 3.05Å
73	G	33.4	Very low	41.8	Very low	61 Å²	61	128.5 Å²	128.5	63%	0.629	68%	0.678	S	S	*	*			trans	-56.2	144.4	168.4	0	0	0	0	0	110.2	V71	V71-G73 PolarHBondContact O-N 2.68Å; V71-G73 VanDerWaalsContact O-N 3.14Å
74	S	39.6	Very low	42.6	Very low	118 Å²	118	124.7 Å²	124.7	83%	0.825	67%	0.67	S	S	*	*			trans	-50.9	140.6	176.5	-60	0	0	0	0	110.7	V76	S74-V76 VanDerWaalsContact C-N 3.34Å; S74-V76 PolarHBondContact O-N 3.48Å
75	M	36.8	Very low	43	Very low	188 Å²	188	119.6 Å²	119.6	93%	0.926	64%	0.643	S	S	*	*			trans	-70.8	91.4	179.8	-60.5	-151.1	-47.7	0	0	110.5	G77	M75-G77 PolarHBondContact O-N 3.43Å
76	V	39	Very low	43.6	Very low	96 Å²	96	113.9 Å²	113.9	58%	0.582	62%	0.624	S	S	*	*			trans	-50.9	126.2	156.4	175.2	0	0	0	0	107.2	S74 E80	S74-V76 VanDerWaalsContact C-N 3.34Å; S74-V76 PolarHBondContact O-N 3.48Å; V76-E80 HydrophobicContact CG1-CB 3.74Å
77	G	41	Very low	43.8	Very low	40 Å²	40	113 Å²	113	41%	0.412	61%	0.613	S	S	.	*			trans	-61.9	144.2	-174.9	0	0	0	0	0	111	M75 G79 E80 Y81	M75-G77 PolarHBondContact O-N 3.43Å; G77-G79 PolarHBondContact O-N 2.82Å; G77-E80 PolarHBondContact O-N 2.92Å; G77-Y81 PolarHBondContact O-N 2.87Å
78	H	49.2	Very low	43.9	Very low	159 Å²	159	107 Å²	107	74%	0.736	59%	0.591	S	S	*	*	H	α-helix	trans	-49	-37.4	-179.2	-86.2	-77.3	0	0	0	112.9	E80 Y81 I82	H78-E80 PolarHBondContact O-N 2.95Å; H78-Y81 PolarHBondContact O-N 3.29Å; H78-I82 VanDerWaalsContact O-CD1 3.3Å; H78-I82 WeakPolarHBondContact O-CD1 3.16Å; H78-I82 VanDerWaalsContact O-CG1 3.26Å; H78-I82 WeakPolarHBondContact O-CG1 3.28Å; H78-I82 PolarHBondContact O-N 2.87Å
79	G	45	Very low	44.4	Very low	45 Å²	45	100 Å²	100	46%	0.464	56%	0.561	S	S	.	*	H	α-helix	trans	-60.2	-35.2	176.5	0	0	0	0	0	115	G77 I82 S83	G77-G79 PolarHBondContact O-N 2.82Å; G79-I82 WeakPolarHBondContact O-CB 3.35Å; G79-I82 PolarHBondContact O-N 3.24Å; G79-S83 PolarHBondContact O-N 3.07Å; G79-S83 PolarHBondContact O-OG 3.43Å; G79-S83 VanDerWaalsContact O-OG 3.14Å
80	E	47.7	Very low	44.3	Very low	128 Å²	128	97.8 Å²	97.8	60%	0.598	55%	0.551	S	S	*	*	H	α-helix	trans	-79.8	-35.4	179.7	-67.4	-174.9	146.9	0	0	112.2	V76 G77 H78 I82 S83 A84	V76-E80 HydrophobicContact CG1-CB 3.74Å; G77-E80 PolarHBondContact O-N 2.92Å; H78-E80 PolarHBondContact O-N 2.95Å; E80-I82 PolarHBondContact O-N 3.2Å; E80-S83 CarbonylContact O-C 3.48Å; E80-S83 WeakPolarHBondContact O-CB 3.27Å; E80-S83 PolarHBondContact O-N 3.31Å; E80-S83 VanDerWaalsContact O-N 3.14Å; E80-A84 PolarHBondContact O-N 3.14Å
81	Y	52.9	Low	44.7	Very low	112 Å²	112	100.1 Å²	100.1	44%	0.439	55%	0.55	S	S	.	*	H	α-helix	trans	-62.5	-35.9	169.7	171.7	-106.2	0	0	0	111.7	G77 H78 A84 M85 K590	G77-Y81 PolarHBondContact O-N 2.87Å; H78-Y81 PolarHBondContact O-N 3.29Å; Y81-A84 PolarHBondContact O-N 3.03Å; Y81-M85 HydrophobicContact CD2-CG 4.44Å; Y81-M85 HydrophobicContact CE1-CG 4.12Å; Y81-M85 HydrophobicContact CE2-CG 3.96Å; Y81-M85 HydrophobicContact CE2-SD 4.14Å; Y81-M85 VanDerWaalsContact O-CG 3.27Å; Y81-M85 WeakPolarHBondContact O-CG 3.3Å; Y81-M85 PolarHBondContact O-N 2.72Å; Y81-M85 VanDerWaalsContact O-N 3.09Å; Y81-M85 PolarHBondContact OH-SD 3.49Å; Y81-M85 VanDerWaalsContact OH-SD 3.36Å; Y81-K590 HydrophobicContact CE1-CD 4.44Å; Y81-K590 PolarHBondContact OH-NZ 2.8Å
82	I	53.7	Low	44.8	Very low	42 Å²	42	97.6 Å²	97.6	22%	0.215	53%	0.532	C	S	.	.	H	α-helix	trans	-62.9	-49.5	169.9	-69.7	157.6	0	0	0	109.7	H78 G79 E80 A84 M85 I86	H78-I82 VanDerWaalsContact O-CD1 3.3Å; H78-I82 WeakPolarHBondContact O-CD1 3.16Å; H78-I82 VanDerWaalsContact O-CG1 3.26Å; H78-I82 WeakPolarHBondContact O-CG1 3.28Å; H78-I82 PolarHBondContact O-N 2.87Å; G79-I82 WeakPolarHBondContact O-CB 3.35Å; G79-I82 PolarHBondContact O-N 3.24Å; E80-I82 PolarHBondContact O-N 3.2Å; I82-A84 VanDerWaalsContact C-N 3.27Å; I82-A84 PolarHBondContact O-N 3.25Å; I82-M85 PolarHBondContact O-N 3.44Å; I82-M85 VanDerWaalsContact O-N 3.15Å; I82-I86 HydrophobicContact CG2-CD1 3.45Å; I82-I86 VanDerWaalsContact CG2-CD1 3.45Å; I82-I86 HydrophobicContact CG2-CG1 4.19Å; I82-I86 WeakPolarHBondContact O-CB 3.41Å; I82-I86 WeakPolarHBondContact O-CD1 3.49Å; I82-I86 WeakPolarHBondContact O-CG1 3.44Å; I82-I86 PolarHBondContact O-N 3.19Å
83	S	51.3	Low	44.7	Very low	73 Å²	73	90.6 Å²	90.6	51%	0.51	52%	0.519	S	S	.	.	H	α-helix	trans	-56.7	-33.9	174.9	-62.1	0	0	0	0	114.5	G79 E80 I86 N87	G79-S83 PolarHBondContact O-N 3.07Å; G79-S83 PolarHBondContact O-OG 3.43Å; G79-S83 VanDerWaalsContact O-OG 3.14Å; E80-S83 CarbonylContact O-C 3.48Å; E80-S83 WeakPolarHBondContact O-CB 3.27Å; E80-S83 PolarHBondContact O-N 3.31Å; E80-S83 VanDerWaalsContact O-N 3.14Å; S83-I86 WeakPolarHBondContact O-CB 3.32Å; S83-N87 PolarHBondContact O-N 3.25Å
84	A	52.7	Low	44.9	Very low	57 Å²	57	90.9 Å²	90.9	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-50.5	173.6	0	0	0	0	0	111.5	E80 Y81 I82 I86 N87 D88	E80-A84 PolarHBondContact O-N 3.14Å; Y81-A84 PolarHBondContact O-N 3.03Å; I82-A84 VanDerWaalsContact C-N 3.27Å; I82-A84 PolarHBondContact O-N 3.25Å; A84-I86 PolarHBondContact O-N 2.93Å; A84-N87 WeakPolarHBondContact O-CB 3.19Å; A84-N87 PolarHBondContact O-N 2.8Å; A84-D88 PolarHBondContact O-N 3.07Å
85	M	52.5	Low	44.7	Very low	61 Å²	61	90.2 Å²	90.2	30%	0.3	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-30.7	177.3	-62.5	-96.9	72.2	0	0	112.3	Y81 I82 N87 D88 M89 K590	Y81-M85 HydrophobicContact CD2-CG 4.44Å; Y81-M85 HydrophobicContact CE1-CG 4.12Å; Y81-M85 HydrophobicContact CE2-CG 3.96Å; Y81-M85 HydrophobicContact CE2-SD 4.14Å; Y81-M85 VanDerWaalsContact O-CG 3.27Å; Y81-M85 WeakPolarHBondContact O-CG 3.3Å; Y81-M85 PolarHBondContact O-N 2.72Å; Y81-M85 VanDerWaalsContact O-N 3.09Å; Y81-M85 PolarHBondContact OH-SD 3.49Å; Y81-M85 VanDerWaalsContact OH-SD 3.36Å; I82-M85 PolarHBondContact O-N 3.44Å; I82-M85 VanDerWaalsContact O-N 3.15Å; M85-N87 VanDerWaalsContact C-N 3.28Å; M85-N87 PolarHBondContact O-N 3.29Å; M85-D88 WeakPolarHBondContact CE-OD2 3.46Å; M85-D88 PolarHBondContact O-N 2.95Å; M85-M89 WeakPolarHBondContact O-CG 3.44Å; M85-M89 PolarHBondContact O-N 3.49Å; M85-K590 PolarHBondContact SD-NZ 2.78Å; M85-K590 VanDerWaalsContact SD-NZ 3.41Å
86	I	53.7	Low	44.5	Very low	44 Å²	44	84.2 Å²	84.2	23%	0.226	48%	0.475	C	S	.	.	H	α-helix	trans	-60.1	-37.7	171.9	-78.6	162.5	0	0	0	111.6	I82 S83 A84 D88 M89 S90 V622	I82-I86 HydrophobicContact CG2-CD1 3.45Å; I82-I86 VanDerWaalsContact CG2-CD1 3.45Å; I82-I86 HydrophobicContact CG2-CG1 4.19Å; I82-I86 WeakPolarHBondContact O-CB 3.41Å; I82-I86 WeakPolarHBondContact O-CD1 3.49Å; I82-I86 WeakPolarHBondContact O-CG1 3.44Å; I82-I86 PolarHBondContact O-N 3.19Å; S83-I86 WeakPolarHBondContact O-CB 3.32Å; A84-I86 PolarHBondContact O-N 2.93Å; I86-D88 VanDerWaalsContact C-N 3.29Å; I86-M89 CarbonylContact O-C 3.57Å; I86-M89 PolarHBondContact O-N 3.14Å; I86-M89 VanDerWaalsContact O-N 3.16Å; I86-S90 PolarHBondContact O-N 3.35Å; I86-V622 HydrophobicContact CB-CG1 4.27Å; I86-V622 HydrophobicContact CB-CG2 4.36Å; I86-V622 HydrophobicContact CD1-CB 4.43Å; I86-V622 HydrophobicContact CD1-CG1 3.26Å; I86-V622 HydrophobicContact CG1-CB 4.23Å; I86-V622 HydrophobicContact CG1-CG1 3.48Å; I86-V622 VanDerWaalsContact CG1-CG1 3.48Å; I86-V622 HydrophobicContact CG1-CG2 3.83Å; I86-V622 HydrophobicContact CG2-CG1 3.81Å; I86-V622 HydrophobicContact CG2-CG2 4.04Å
87	N	46.6	Very low	44.2	Very low	104 Å²	104	81 Å²	81	56%	0.556	46%	0.458	S	S	*	.	H	α-helix	trans	-78.9	-14.3	179.9	-155.3	29.1	0	0	0	113.2	S83 A84 M85 S90	S83-N87 PolarHBondContact O-N 3.25Å; A84-N87 WeakPolarHBondContact O-CB 3.19Å; A84-N87 PolarHBondContact O-N 2.8Å; M85-N87 VanDerWaalsContact C-N 3.28Å; M85-N87 PolarHBondContact O-N 3.29Å; N87-S90 WeakPolarHBondContact CA-OG 3.45Å; N87-S90 PolarHBondContact O-OG 2.89Å; N87-S90 PolarHBondContact OD1-OG 3.13Å
88	D	47.5	Very low	43.9	Very low	83 Å²	83	85.2 Å²	85.2	44%	0.444	47%	0.47	S	S	.	.	H	α-helix	trans	-80.8	-40.7	161	-67	-40.2	0	0	0	110.5	A84 M85 I86 S90 R91 L92	A84-D88 PolarHBondContact O-N 3.07Å; M85-D88 WeakPolarHBondContact CE-OD2 3.46Å; M85-D88 PolarHBondContact O-N 2.95Å; I86-D88 VanDerWaalsContact C-N 3.29Å; D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 3.26Å; D88-R91 WeakPolarHBondContact O-CA 3.42Å; D88-R91 WeakPolarHBondContact O-CB 3.38Å; D88-R91 PolarHBondContact O-N 3.41Å; D88-L92 PolarHBondContact O-N 2.92Å
89	M	45.7	Very low	43.5	Very low	49 Å²	49	80.9 Å²	80.9	24%	0.241	46%	0.458	C	S	.	.	H	α-helix	trans	-66	-26.8	177.5	-69.2	-172.2	78.1	0	0	113.9	M85 I86 R91 L92 M625	M85-M89 WeakPolarHBondContact O-CG 3.44Å; M85-M89 PolarHBondContact O-N 3.49Å; I86-M89 CarbonylContact O-C 3.57Å; I86-M89 PolarHBondContact O-N 3.14Å; I86-M89 VanDerWaalsContact O-N 3.16Å; M89-R91 PolarHBondContact O-N 2.91Å; M89-L92 HydrophobicContact CG-CD1 4.25Å; M89-L92 WeakPolarHBondContact O-CB 3.36Å; M89-L92 PolarHBondContact O-N 3.24Å; M89-L92 VanDerWaalsContact O-N 3.09Å; M89-M625 HydrophobicContact CE-CE 4.01Å; M89-M625 HydrophobicContact SD-CE 4.04Å
90	S	38.4	Very low	43.1	Very low	82 Å²	82	81.9 Å²	81.9	57%	0.573	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.7	171.2	60.9	0	0	0	0	113.1	I86 N87 D88	I86-S90 PolarHBondContact O-N 3.35Å; N87-S90 WeakPolarHBondContact CA-OG 3.45Å; N87-S90 PolarHBondContact O-OG 2.89Å; N87-S90 PolarHBondContact OD1-OG 3.13Å; D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 3.26Å
91	R	40.3	Very low	42.9	Very low	204 Å²	204	81.6 Å²	81.6	77%	0.77	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.5	171.1	-60.6	173.8	167.7	-171.1	-6.3	112.9	D88 M89	D88-R91 WeakPolarHBondContact O-CA 3.42Å; D88-R91 WeakPolarHBondContact O-CB 3.38Å; D88-R91 PolarHBondContact O-N 3.41Å; M89-R91 PolarHBondContact O-N 2.91Å
92	L	39.4	Very low	42.2	Very low	71 Å²	71	84 Å²	84	37%	0.372	46%	0.459	S	S	.	.	S	Bend	trans	-86.3	121.4	171.8	-60.5	-179.9	0	0	0	109.1	D88 M89 V94 Q459	D88-L92 PolarHBondContact O-N 2.92Å; M89-L92 HydrophobicContact CG-CD1 4.25Å; M89-L92 WeakPolarHBondContact O-CB 3.36Å; M89-L92 PolarHBondContact O-N 3.24Å; M89-L92 VanDerWaalsContact O-N 3.09Å; L92-V94 PolarHBondContact O-N 3.47Å; L92-Q459 HydrophobicContact CD2-CG 4.27Å
93	S	31.8	Very low	41.3	Very low	86 Å²	86	86.6 Å²	86.6	60%	0.601	48%	0.481	S	S	*	.			trans	-75.8	80.1	-174.2	57.9	0	0	0	0	112.7	T95	S93-T95 PolarHBondContact O-N 3.35Å
94	V	38.8	Very low	40.6	Very low	66 Å²	66	87.7 Å²	87.7	40%	0.4	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	9.4	168	-158.5	0	0	0	0	111.7	L92 L100	L92-V94 PolarHBondContact O-N 3.47Å; V94-L100 HydrophobicContact CG1-CD1 4.19Å
95	T	33.9	Very low	40	Very low	104 Å²	104	87.1 Å²	87.1	64%	0.638	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-2.3	-172.6	46.5	0	0	0	0	114.5	S93 R101	S93-T95 PolarHBondContact O-N 3.35Å; T95-R101 PolarHBondContact O-NH2 3.42Å
96	S	32.8	Very low	39.8	Very low	62 Å²	62	87.7 Å²	87.7	43%	0.434	49%	0.49	S	S	.	.	S	Bend	trans	-86.7	-26.5	178	50.8	0	0	0	0	114.2	N98	S96-N98 PolarHBondContact O-N 3.48Å
97	S	33.7	Very low	39.3	Very low	30 Å²	30	89.3 Å²	89.3	21%	0.21	51%	0.509	C	S	.	.			trans	-64.6	122.1	177.9	-57.9	0	0	0	0	111.7	S99	S97-S99 VanDerWaalsContact C-N 3.29Å; S97-S99 PolarHBondContact O-N 3.49Å
98	N	34.9	Very low	39.2	Very low	127 Å²	127	92.9 Å²	92.9	68%	0.679	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-69	-24.5	177.3	-84.5	-25.4	0	0	0	113.2	S96 L100 R101	S96-N98 PolarHBondContact O-N 3.48Å; N98-L100 PolarHBondContact O-N 3.08Å; N98-R101 PolarHBondContact O-N 3.5Å
99	S	40.6	Very low	39.3	Very low	68 Å²	68	95.6 Å²	95.6	48%	0.476	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-56.7	-19.5	176.9	-42.8	0	0	0	0	114.2	S97 D545	S97-S99 VanDerWaalsContact C-N 3.29Å; S97-S99 PolarHBondContact O-N 3.49Å; S99-D545 PolarHBondContact OG-OD1 2.77Å
100	L	36.7	Very low	39.5	Very low	67 Å²	67	99.5 Å²	99.5	35%	0.351	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-102.4	20.8	-172	-57.7	-179.4	0	0	0	114.1	V94 N98 F617	V94-L100 HydrophobicContact CG1-CD1 4.19Å; N98-L100 PolarHBondContact O-N 3.08Å; L100-F617 HydrophobicContact CD2-CE2 3.6Å; L100-F617 HydrophobicContact CD2-CZ 3.8Å
101	R	43.3	Very low	39.9	Very low	122 Å²	122	97 Å²	97	46%	0.46	52%	0.519	S	S	.	.			trans	-118.9	117.9	-174.7	-64.5	-179.3	178.7	-113.1	-1.3	112.1	T95 N98 S103	T95-R101 PolarHBondContact O-NH2 3.42Å; N98-R101 PolarHBondContact O-N 3.5Å; R101-S103 PolarHBondContact O-N 3.23Å; R101-S103 VanDerWaalsContact O-N 3.1Å
102	K	38.5	Very low	40.4	Very low	163 Å²	163	90.7 Å²	90.7	71%	0.709	50%	0.498	S	S	*	.	S	Bend	trans	-63.6	-12	175.5	-68.4	-162.3	172.4	-161.6	0	114.7	E613	K102-E613 IonicContact NZ-OE2 3.16Å
103	S	33.9	Very low	40.6	Very low	96 Å²	96	91.9 Å²	91.9	67%	0.671	51%	0.512	S	S	*	.	S	Bend	trans	-162.6	160.9	168.2	58.9	0	0	0	0	111.9	R101	R101-S103 PolarHBondContact O-N 3.23Å; R101-S103 VanDerWaalsContact O-N 3.1Å
104	S	36.7	Very low	41.4	Very low	95 Å²	95	93.7 Å²	93.7	66%	0.664	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-67	147.9	175.1	-84.9	0	0	0	0	112.7
105	P	40.5	Very low	41.8	Very low	46 Å²	46	93.9 Å²	93.9	30%	0.299	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-58.2	139.1	171.6	-22.2	32.8	0	0	0	112.2	K109 R110	P105-K109 HydrophobicContact CB-CB 4.4Å; P105-R110 PolarHBondContact O-NE 3.46Å; P105-R110 PolarHBondContact O-NH2 3.36Å
106	S	48.3	Very low	42.3	Very low	73 Å²	73	98.8 Å²	98.8	51%	0.51	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-57.2	151.3	172.7	66.2	0	0	0	0	111.2	R108 K109 R110	S106-R108 PolarHBondContact O-N 3.26Å; S106-R108 VanDerWaalsContact O-N 3.1Å; S106-K109 PolarHBondContact O-N 3.02Å; S106-R110 PolarHBondContact O-N 3.22Å
107	A	43.6	Very low	42.7	Very low	77 Å²	77	99.9 Å²	99.9	64%	0.636	54%	0.537	S	S	*	.	H	α-helix	trans	-53.3	-36.2	-176	0	0	0	0	0	112.8	R110 A111	A107-R110 WeakPolarHBondContact O-CB 3.43Å; A107-R110 PolarHBondContact O-N 3.08Å; A107-A111 PolarHBondContact O-N 3.25Å
108	R	43.9	Very low	43	Very low	179 Å²	179	101.3 Å²	101.3	68%	0.675	56%	0.557	S	S	*	*	H	α-helix	trans	-63.1	-46	176.6	-167	170.1	-177.8	151.4	-1.6	112.9	S106 R110 A111 Q112 L117	S106-R108 PolarHBondContact O-N 3.26Å; S106-R108 VanDerWaalsContact O-N 3.1Å; R108-R110 VanDerWaalsContact C-N 3.31Å; R108-R110 PolarHBondContact O-N 2.86Å; R108-A111 PolarHBondContact O-N 3.13Å; R108-Q112 WeakPolarHBondContact O-CG 3.36Å; R108-Q112 PolarHBondContact O-N 2.8Å; R108-L117 HydrophobicContact CG-CD1 3.91Å
109	K	49.3	Very low	43.3	Very low	141 Å²	141	104.5 Å²	104.5	61%	0.613	57%	0.568	S	S	*	*	H	α-helix	trans	-67.2	-33.2	174.7	-74.6	-168	173.7	-171.7	0	111.9	P105 S106 Q112 S113	P105-K109 HydrophobicContact CB-CB 4.4Å; S106-K109 PolarHBondContact O-N 3.02Å; K109-Q112 PolarHBondContact O-N 3.4Å; K109-S113 PolarHBondContact O-N 3.24Å; K109-S113 PolarHBondContact O-OG 3.26Å
110	R	50.4	Low	43.1	Very low	131 Å²	131	107.3 Å²	107.3	49%	0.494	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-40.7	173.6	-136.3	179.5	-61	179.5	1.1	112.1	P105 S106 A107 R108 S113 L114	P105-R110 PolarHBondContact O-NE 3.46Å; P105-R110 PolarHBondContact O-NH2 3.36Å; S106-R110 PolarHBondContact O-N 3.22Å; A107-R110 WeakPolarHBondContact O-CB 3.43Å; A107-R110 PolarHBondContact O-N 3.08Å; R108-R110 VanDerWaalsContact C-N 3.31Å; R108-R110 PolarHBondContact O-N 2.86Å; R110-S113 WeakPolarHBondContact CA-OG 3.19Å; R110-S113 PolarHBondContact O-OG 3.48Å; R110-L114 WeakPolarHBondContact O-CG 3.27Å; R110-L114 PolarHBondContact O-N 3.24Å
111	A	45.8	Very low	43.1	Very low	28 Å²	28	112 Å²	112	23%	0.231	61%	0.608	C	S	.	*	H	α-helix	trans	-67.8	-38.8	174.7	0	0	0	0	0	112.8	A107 R108 L114 G115 R116 L117	A107-A111 PolarHBondContact O-N 3.25Å; R108-A111 PolarHBondContact O-N 3.13Å; A111-L114 CarbonylContact O-C 3.55Å; A111-L114 PolarHBondContact O-N 3.24Å; A111-G115 PolarHBondContact O-N 2.74Å; A111-R116 HydrophobicContact CB-CB 4.49Å; A111-R116 PolarHBondContact O-N 2.86Å; A111-L117 HydrophobicContact CB-CD1 4.18Å
112	Q	52.1	Low	42.7	Very low	73 Å²	73	116.1 Å²	116.1	34%	0.341	63%	0.632	S	S	.	*	H	α-helix	trans	-62.1	-45.8	173	-73.4	173.7	-54.9	0	0	111.7	R108 K109 L114 G115 L117	R108-Q112 WeakPolarHBondContact O-CG 3.36Å; R108-Q112 PolarHBondContact O-N 2.8Å; K109-Q112 PolarHBondContact O-N 3.4Å; Q112-L114 PolarHBondContact O-N 2.6Å; Q112-G115 PolarHBondContact O-N 2.88Å; Q112-L117 HydrophobicContact CG-CB 3.73Å; Q112-L117 HydrophobicContact CG-CD1 4.27Å
113	S	43	Very low	42.8	Very low	95 Å²	95	111.6 Å²	111.6	66%	0.664	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-10.8	175.2	54.4	0	0	0	0	115	K109 R110	K109-S113 PolarHBondContact O-N 3.24Å; K109-S113 PolarHBondContact O-OG 3.26Å; R110-S113 WeakPolarHBondContact CA-OG 3.19Å; R110-S113 PolarHBondContact O-OG 3.48Å
114	L	48.2	Very low	42.6	Very low	125 Å²	125	113.6 Å²	113.6	65%	0.654	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	12.1	174	-67.3	171.6	0	0	0	112.6	R110 A111 Q112 R116	R110-L114 WeakPolarHBondContact O-CG 3.27Å; R110-L114 PolarHBondContact O-N 3.24Å; A111-L114 CarbonylContact O-C 3.55Å; A111-L114 PolarHBondContact O-N 3.24Å; Q112-L114 PolarHBondContact O-N 2.6Å; L114-R116 HydrophobicContact CB-CG 4.37Å; L114-R116 PolarHBondContact O-N 3.11Å
115	G	48.1	Very low	42.3	Very low	70 Å²	70	112.5 Å²	112.5	72%	0.722	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	15.2	179.6	0	0	0	0	0	114.9	A111 Q112	A111-G115 PolarHBondContact O-N 2.74Å; Q112-G115 PolarHBondContact O-N 2.88Å
116	R	43.8	Very low	41.7	Very low	207 Å²	207	120 Å²	120	78%	0.781	66%	0.662	S	S	*	*			trans	-91.6	-0.6	-175.1	-64.7	-167.9	175	-151.4	-1.1	114.6	A111 L114	A111-R116 HydrophobicContact CB-CB 4.49Å; A111-R116 PolarHBondContact O-N 2.86Å; L114-R116 HydrophobicContact CB-CG 4.37Å; L114-R116 PolarHBondContact O-N 3.11Å
117	L	41	Very low	40.6	Very low	84 Å²	84	125 Å²	125	44%	0.44	68%	0.677	S	S	.	*	S	Bend	trans	-142.2	136.5	174.7	-83.9	171	0	0	0	108.4	R108 A111 Q112	R108-L117 HydrophobicContact CG-CD1 3.91Å; A111-L117 HydrophobicContact CB-CD1 4.18Å; Q112-L117 HydrophobicContact CG-CB 3.73Å; Q112-L117 HydrophobicContact CG-CD1 4.27Å
118	G	41.2	Very low	39.8	Very low	61 Å²	61	132.2 Å²	132.2	63%	0.629	69%	0.689	S	S	*	*			trans	-67.8	165	176.7	0	0	0	0	0	113.4
119	E	40.1	Very low	39.1	Very low	194 Å²	194	131.5 Å²	131.5	91%	0.907	69%	0.694	S	S	*	*			trans	-77.6	151.8	173.4	-61.3	-174.7	142.4	0	0	111.1
120	V	37.7	Very low	38.3	Very low	127 Å²	127	128 Å²	128	77%	0.77	70%	0.697	S	S	*	*			trans	-136.7	136.3	170.4	-99.4	0	0	0	0	107.1
121	N	34.9	Very low	37.3	Very low	166 Å²	166	129.9 Å²	129.9	89%	0.888	72%	0.716	S	S	*	*			trans	-63.2	145.5	-174.1	-76.8	-19.4	0	0	0	112.2	G123	N121-G123 PolarHBondContact O-N 3.42Å; N121-G123 VanDerWaalsContact O-N 3.16Å
122	E	36.3	Very low	36.6	Very low	208 Å²	208	135.2 Å²	135.2	97%	0.972	75%	0.746	S	S	*	*	S	Bend	trans	-71.6	103.4	168.8	-64.8	-172	128.8	0	0	109.4
123	G	40.1	Very low	35.6	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	77%	0.77	S	S	*	*			trans	177.7	22.4	-175.2	0	0	0	0	0	118.9	N121	N121-G123 PolarHBondContact O-N 3.42Å; N121-G123 VanDerWaalsContact O-N 3.16Å
124	D	28.5	Very low	35.1	Very low	139 Å²	139	142.8 Å²	142.8	74%	0.743	78%	0.775	S	S	*	*			trans	-140.8	131.6	169	-95.4	-47.3	0	0	0	111.8	Y126	D124-Y126 HydrophobicContact CB-CE2 4.05Å
125	G	31.8	Very low	34.3	Very low	71 Å²	71	145 Å²	145	73%	0.732	79%	0.788	S	S	*	*			trans	-112.9	103.6	-179.1	0	0	0	0	0	111.2	Q127	G125-Q127 PolarHBondContact O-N 3.5Å
126	Y	27.9	Very low	33.6	Very low	204 Å²	204	150.3 Å²	150.3	80%	0.8	79%	0.794	S	S	*	*			trans	-79.8	108	-177.9	-68.5	-79.4	0	0	0	112.1	D124	D124-Y126 HydrophobicContact CB-CE2 4.05Å
127	Q	25	Very low	33.1	Very low	177 Å²	177	148.2 Å²	148.2	83%	0.827	80%	0.798	S	S	*	*			trans	-70	148.7	158	-66.8	177.6	-63.6	0	0	109.4	G125	G125-Q127 PolarHBondContact O-N 3.5Å
128	Y	26.5	Very low	32.7	Very low	230 Å²	230	151.2 Å²	151.2	90%	0.902	82%	0.815	S	S	*	*			trans	-105.1	91.4	174.8	-152.6	-76.8	0	0	0	108.5
129	E	29.6	Very low	32.2	Very low	164 Å²	164	157.2 Å²	157.2	77%	0.766	83%	0.829	S	S	*	*			trans	-72.9	128.6	170.1	-67.9	-168	131.9	0	0	109.3	L131	E129-L131 PolarHBondContact O-N 3.46Å
130	G	31.8	Very low	31.8	Very low	66 Å²	66	155.1 Å²	155.1	68%	0.68	82%	0.824	S	S	*	*			trans	-85.5	105.5	176.6	0	0	0	0	0	110.3	T132	G130-T132 PolarHBondContact O-N 2.86Å
131	L	29.2	Very low	31.4	Very low	171 Å²	171	157.8 Å²	157.8	90%	0.895	83%	0.828	S	S	*	*			trans	-85	99.9	168.6	-66.8	178	0	0	0	109.6	E129	E129-L131 PolarHBondContact O-N 3.46Å
132	T	32.9	Very low	31.1	Very low	140 Å²	140	154.4 Å²	154.4	86%	0.859	82%	0.823	S	S	*	*			trans	-92.9	107.3	153.8	49.7	0	0	0	0	107.8	G130	G130-T132 PolarHBondContact O-N 2.86Å
133	Q	29.4	Very low	30.7	Very low	182 Å²	182	153.8 Å²	153.8	85%	0.85	82%	0.82	S	S	*	*			trans	-149.3	142.4	154.7	-157.9	152.7	9.1	0	0	109.3
134	D	32.8	Very low	30.4	Very low	145 Å²	145	158.7 Å²	158.7	78%	0.775	83%	0.83	S	S	*	*			trans	-83.9	149.7	-171.1	-39.3	-94.2	0	0	0	111.1
135	D	32.6	Very low	30.6	Very low	173 Å²	173	158.4 Å²	158.4	93%	0.925	82%	0.824	S	S	*	*			trans	-149.5	137.4	151.6	-93.1	-42.4	0	0	0	106.9
136	E	33.3	Very low	30.4	Very low	180 Å²	180	165.4 Å²	165.4	84%	0.841	83%	0.829	S	S	*	*			trans	-97.4	148	-175.5	-60.5	174.8	119.6	0	0	110.7
137	D	31.8	Very low	30.5	Very low	163 Å²	163	167.6 Å²	167.6	87%	0.872	84%	0.836	S	S	*	*			trans	167.9	157.3	131.5	-90	-16.8	0	0	0	113.2
138	D	33.7	Very low	30.8	Very low	148 Å²	148	166.2 Å²	166.2	79%	0.791	83%	0.834	S	S	*	*			trans	-73.8	144.1	-169.9	-63.8	-55.4	0	0	0	115.7
139	M	30.6	Very low	30.9	Very low	187 Å²	187	164.9 Å²	164.9	92%	0.921	83%	0.833	S	S	*	*				-164.7	165	113.1	-119.4	-179.6	-76.9	0	0	114.6
140	D	31.2	Very low	31	Very low	149 Å²	149	160.6 Å²	160.6	80%	0.797	83%	0.833	S	S	*	*			trans	-87.3	169.7	-157.3	-92.8	-56.3	0	0	0	118.2
141	E	30.3	Very low	30.8	Very low	184 Å²	184	168.6 Å²	168.6	86%	0.86	84%	0.843	S	S	*	*			trans	48.3	105.8	152.8	-71.2	-171.5	155.1	0	0	119.6
142	A	28.4	Very low	30.7	Very low	94 Å²	94	167.3 Å²	167.3	78%	0.777	84%	0.837	S	S	*	*				160.1	106.5	88.8	0	0	0	0	0	113.7
143	Q	27.9	Very low	30.4	Very low	195 Å²	195	168.6 Å²	168.6	91%	0.911	84%	0.836	S	S	*	*			trans	-159.9	78	142.8	-123.2	172.3	20.1	0	0	114.7	H145	Q143-H145 PolarHBondContact O-N 2.84Å; Q143-H145 VanDerWaalsContact O-N 3.08Å
144	D	33.9	Very low	30.3	Very low	170 Å²	170	167.8 Å²	167.8	91%	0.909	83%	0.832	S	S	*	*			trans	-76.7	85.2	164.7	-126	-22.3	0	0	0	110.2
145	H	31.6	Very low	30.1	Very low	133 Å²	133	165.8 Å²	165.8	62%	0.616	83%	0.829	S	S	*	*			trans	-158.2	151.5	161.1	-134.4	-82.3	0	0	0	113.2	Q143 R147	Q143-H145 PolarHBondContact O-N 2.84Å; Q143-H145 VanDerWaalsContact O-N 3.08Å; H145-R147 PolarHBondContact O-N 3.23Å
146	W	28.2	Very low	29.9	Very low	218 Å²	218	165.5 Å²	165.5	83%	0.826	82%	0.823	S	S	*	*	S	Bend	trans	74.6	8.7	171.2	-53.2	113.1	0	0	0	119.4
147	R	30.3	Very low	29.6	Very low	251 Å²	251	163.3 Å²	163.3	95%	0.947	82%	0.821	S	S	*	*			trans	-91.2	16.6	170.6	-135	175.8	-166.3	-101.3	3.8	115.9	H145	H145-R147 PolarHBondContact O-N 3.23Å
148	D	30.8	Very low	29.2	Very low	147 Å²	147	162.9 Å²	162.9	79%	0.786	82%	0.819	S	S	*	*			trans	-138.3	92.6	167.1	-167.7	14.1	0	0	0	114.2
149	K	28.9	Very low	29	Very low	202 Å²	202	162.5 Å²	162.5	88%	0.878	82%	0.823	S	S	*	*			trans	-167	119.2	150.2	-126.8	169.2	-176.3	168.4	0	110.1
150	G	30.5	Very low	29	Very low	75 Å²	75	159.2 Å²	159.2	77%	0.773	82%	0.815	S	S	*	*			trans	131.7	26.3	170.9	0	0	0	0	0	118.1
151	R	28.1	Very low	28.7	Very low	234 Å²	234	162.4 Å²	162.4	88%	0.883	82%	0.817	S	S	*	*			trans	-106.6	145.2	160	-84.8	-174.7	167.8	-175.9	-3.6	110.4
152	N	27.8	Very low	28.8	Very low	144 Å²	144	161.3 Å²	161.3	77%	0.77	82%	0.817	S	S	*	*			trans	65	141	-166.3	-55	-18.4	0	0	0	111.7
153	I	27	Very low	28.7	Very low	166 Å²	166	159.8 Å²	159.8	85%	0.851	81%	0.81	S	S	*	*			cis	-108.9	170.8	29.8	-70	160.2	0	0	0	112.8
154	H	27.3	Very low	28.8	Very low	166 Å²	166	159.7 Å²	159.7	77%	0.769	81%	0.812	S	S	*	*			trans	-118.2	178.1	-178.9	-99.1	42.9	0	0	0	112
155	S	28.2	Very low	28.6	Very low	102 Å²	102	161.5 Å²	161.5	71%	0.713	81%	0.811	S	S	*	*			trans	82.5	141.7	177.6	96	0	0	0	0	115.5
156	E	28	Very low	28.6	Very low	168 Å²	168	165 Å²	165	79%	0.785	83%	0.825	S	S	*	*			cis	-156.2	-179.8	2.8	-140.6	159.9	-106.8	0	0	113.6
157	T	27.2	Very low	28.5	Very low	133 Å²	133	159.6 Å²	159.6	82%	0.816	82%	0.82	S	S	*	*			trans	84.6	122	170.9	68.2	0	0	0	0	120.5
158	N	23.8	Very low	28.3	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	81%	0.813	S	S	*	*			trans	-79.3	148.2	-173.5	-52.6	-65.7	0	0	0	114.9
159	T	28.6	Very low	28.2	Very low	140 Å²	140	153.6 Å²	153.6	86%	0.859	81%	0.81	S	S	*	*				-177.3	160.1	112.3	24.4	0	0	0	0	111.8
160	P	31.6	Very low	28.2	Very low	117 Å²	117	151.8 Å²	151.8	76%	0.76	81%	0.809	S	S	*	*			trans	-94.2	150.8	-153.9	35.3	-37	0	0	0	116.4
161	Y	25.4	Very low	28.3	Very low	216 Å²	216	156.4 Å²	156.4	85%	0.847	81%	0.811	S	S	*	*			trans	-109.6	111	172.9	-168.5	-92.5	0	0	0	110.5
162	L	31.5	Very low	28.8	Very low	162 Å²	162	150.4 Å²	150.4	85%	0.848	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-80.2	118	170.9	-105.9	86.6	0	0	0	110
163	G	26.5	Very low	28.9	Very low	61 Å²	61	151.7 Å²	151.7	63%	0.629	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75	135.6	-177.6	0	0	0	0	0	114.1
164	M	29.4	Very low	29.3	Very low	194 Å²	194	146.9 Å²	146.9	96%	0.956	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-84.6	144	162.6	-80.8	-164.6	163.3	0	0	111.5
165	K	30	Very low	29.6	Very low	207 Å²	207	147 Å²	147	90%	0.9	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.1	164.6	-173.7	-72.5	-178.8	177.7	177.4	0	112.9
166	K	30.8	Very low	29.6	Very low	207 Å²	207	150.1 Å²	150.1	90%	0.9	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-57.3	147.5	-174.9	-63.5	177.4	178.8	179.7	0	113.7
167	S	26.2	Very low	29.9	Very low	104 Å²	104	147.7 Å²	147.7	73%	0.727	81%	0.811	S	S	*	*			trans	-22.8	139.3	157.4	-171.1	0	0	0	0	116.3
168	I	26.5	Very low	29.8	Very low	153 Å²	153	150.9 Å²	150.9	79%	0.785	81%	0.814	S	S	*	*			trans	-115.8	121.6	154.7	-71.4	177.7	0	0	0	107.7
169	T	29.1	Very low	30	Very low	120 Å²	120	147.6 Å²	147.6	74%	0.736	81%	0.808	S	S	*	*			trans	-81.7	138.3	175.5	-49.4	0	0	0	0	110.2
170	L	29.4	Very low	29.9	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	81%	0.808	S	S	*	*			trans	-130.7	134.5	166.4	-91.3	168.3	0	0	0	111
171	Q	31	Very low	29.6	Very low	172 Å²	172	149.8 Å²	149.8	80%	0.804	81%	0.807	S	S	*	*			trans	-81.8	160.2	179.8	-77.8	-99.5	25.7	0	0	111.4	N173	Q171-N173 PolarHBondContact O-N 3.48Å
172	P	39.5	Very low	29.8	Very low	107 Å²	107	144.7 Å²	144.7	70%	0.695	80%	0.798	S	S	*	*			trans	-83.2	119.1	-174.1	32.4	-32	0	0	0	112.4
173	N	30.7	Very low	29.6	Very low	172 Å²	172	146.6 Å²	146.6	92%	0.92	80%	0.796	S	S	*	*			trans	-152.6	145.9	144.6	-102.8	-43	0	0	0	109.6	Q171	Q171-N173 PolarHBondContact O-N 3.48Å
174	G	35.5	Very low	29.7	Very low	64 Å²	64	151.2 Å²	151.2	66%	0.66	80%	0.801	S	S	*	*			trans	-84	171	-170.6	0	0	0	0	0	114.7
175	I	32.1	Very low	29.5	Very low	169 Å²	169	148.2 Å²	148.2	87%	0.867	79%	0.793	S	S	*	*			trans	75.5	122.7	177.2	-49	166.7	0	0	0	114.2
176	L	28.3	Very low	29.4	Very low	168 Å²	168	142 Å²	142	88%	0.88	79%	0.787	S	S	*	*			trans	-171.9	165.3	140.3	-97.3	167.9	0	0	0	107.6
177	P	35.6	Very low	29.2	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	78%	0.784	S	S	*	*				-129	-164.6	-125.4	42.9	-26.5	0	0	0	115.1
178	K	25.2	Very low	29.3	Very low	201 Å²	201	137.2 Å²	137.2	87%	0.874	79%	0.786	S	S	*	*			trans	-87.1	124.8	178.7	-79.6	-179.7	174.3	174.1	0	113.9
179	A	26.7	Very low	29.4	Very low	86 Å²	86	136.1 Å²	136.1	71%	0.711	79%	0.787	S	S	*	*			trans	74.5	156.3	132.1	0	0	0	0	0	121.5
180	K	27.2	Very low	29.6	Very low	198 Å²	198	137.1 Å²	137.1	86%	0.861	79%	0.792	S	S	*	*			trans	73.7	132.1	173	-60.4	177.6	178.7	-177.7	0	114.4
181	S	25.4	Very low	29.7	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	79%	0.793	S	S	*	*			cis	93.1	110.6	32.1	172.9	0	0	0	0	113.4
182	T	28.5	Very low	29.7	Very low	109 Å²	109	133.4 Å²	133.4	67%	0.669	79%	0.79	S	S	*	*			trans	169.8	139	132.7	34.1	0	0	0	0	113.3
183	Y	26.8	Very low	29.6	Very low	202 Å²	202	134.7 Å²	134.7	79%	0.792	80%	0.798	S	S	*	*			trans	59.7	156.2	150.7	-58.1	-49.2	0	0	0	119.9
184	E	29	Very low	29.7	Very low	157 Å²	157	132.4 Å²	132.4	73%	0.734	80%	0.796	S	S	*	*			cis	-147.8	139.3	-0.5	-134.1	156.4	-133.4	0	0	113.4
185	V	26.1	Very low	29.8	Very low	131 Å²	131	138.3 Å²	138.3	79%	0.794	81%	0.806	S	S	*	*			trans	37.9	130.5	134.1	-179.7	0	0	0	0	122.7	V187	V185-V187 HydrophobicContact CG1-CG2 4.47Å
186	G	27.1	Very low	30.2	Very low	76 Å²	76	136 Å²	136	78%	0.784	80%	0.802	S	S	*	*			trans	-157.8	142	155.3	0	0	0	0	0	109.6
187	V	27.5	Very low	31.1	Very low	136 Å²	136	133.7 Å²	133.7	82%	0.824	80%	0.797	S	S	*	*			trans	-106.7	141.7	-162.7	-179.8	0	0	0	0	113.3	V185	V185-V187 HydrophobicContact CG1-CG2 4.47Å
188	G	27.6	Very low	31.8	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	80%	0.795	S	S	*	*			trans	-166.5	123.5	166.6	0	0	0	0	0	111.8
189	T	27.9	Very low	32.8	Very low	131 Å²	131	130 Å²	130	80%	0.804	79%	0.794	S	S	*	*			trans	-115	116.7	-168.6	-50.6	0	0	0	0	112
190	V	33.5	Very low	33.3	Very low	140 Å²	140	134.9 Å²	134.9	85%	0.848	80%	0.802	S	S	*	*			trans	-143.7	160.8	162.2	-173.6	0	0	0	0	109.2
191	E	32.2	Very low	33.6	Very low	187 Å²	187	133 Å²	133	87%	0.874	80%	0.801	S	S	*	*			trans	-77.4	138.7	-155.3	-60.7	159.3	119.4	0	0	117.5
192	G	31.3	Very low	34.1	Very low	72 Å²	72	135 Å²	135	74%	0.742	80%	0.802	S	S	*	*			trans	45.6	107	130.8	0	0	0	0	0	122.5
193	P	37.5	Very low	34.9	Very low	133 Å²	133	135.7 Å²	135.7	86%	0.864	81%	0.808	S	S	*	*			trans	-91.3	144.7	158.1	35.5	-31.3	0	0	0	112.6
194	S	32.3	Very low	35.3	Very low	124 Å²	124	130.3 Å²	130.3	87%	0.867	81%	0.806	S	S	*	*			trans	-89.8	148.8	174	50.4	0	0	0	0	112.9
195	Q	36.9	Very low	35.9	Very low	189 Å²	189	129.2 Å²	129.2	88%	0.883	81%	0.812	S	S	*	*			trans	-126.4	154.2	172.6	-87.9	-165.8	-14.8	0	0	111.6
196	P	41.5	Very low	36.3	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.4	154	-174	32.7	-36.3	0	0	0	113.9
197	P	47.9	Very low	36.6	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.2	159.7	-178.7	33.3	-36.1	0	0	0	114.6
198	P	49.1	Very low	36.7	Very low	111 Å²	111	130.3 Å²	130.3	72%	0.721	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.4	167.4	-178.4	35.8	-37.3	0	0	0	114.4
199	P	46.8	Very low	37.7	Very low	129 Å²	129	132.1 Å²	132.1	84%	0.838	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70.9	154.4	178.3	29.3	-36.3	0	0	0	114.3
200	Q	37.7	Very low	37.8	Very low	189 Å²	189	136 Å²	136	88%	0.883	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-94.8	165.5	-175.7	-64.8	179.6	-11.9	0	0	113.4
201	N	32.6	Very low	37.7	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	81%	0.812	S	S	*	*			trans	-151.7	120	-168.8	-161.8	13.5	0	0	0	111.7
202	I	35.4	Very low	37.6	Very low	148 Å²	148	134.3 Å²	134.3	76%	0.759	81%	0.809	S	S	*	*			trans	-152	164.5	175	-8.2	176.1	0	0	0	109.6
203	P	45.4	Very low	37.5	Very low	122 Å²	122	134.2 Å²	134.2	79%	0.792	81%	0.808	S	S	*	*				-119.1	-179	-92.7	41.4	-28.8	0	0	0	114.5
204	A	35.2	Very low	37.2	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	81%	0.808	S	S	*	*			trans	-110.7	154.5	173.6	0	0	0	0	0	112.7
205	P	41.5	Very low	37.2	Very low	134 Å²	134	138.7 Å²	138.7	87%	0.87	81%	0.808	S	S	*	*			trans	-82.2	178.7	176.2	34.6	-35.9	0	0	0	113.8
206	S	34.2	Very low	36.7	Very low	101 Å²	101	133 Å²	133	71%	0.706	80%	0.8	S	S	*	*			trans	-120.2	163	-156	52.3	0	0	0	0	116.3
207	H	34.1	Very low	36.3	Very low	194 Å²	194	133.1 Å²	133.1	90%	0.898	80%	0.804	S	S	*	*			trans	21.9	140.4	162.2	-50.6	-65.4	0	0	0	120.6
208	G	30.6	Very low	36.1	Very low	71 Å²	71	133.1 Å²	133.1	73%	0.732	80%	0.804	S	S	*	*			cis	161.1	-161.8	10.2	0	0	0	0	0	108
209	P	47	Very low	35.2	Very low	113 Å²	113	136.8 Å²	136.8	73%	0.734	81%	0.812	S	S	*	*			cis	-136.7	-174.4	-14.5	44.7	-27.4	0	0	0	114.7
210	Y	30.2	Very low	34.4	Very low	213 Å²	213	139.3 Å²	139.3	84%	0.835	81%	0.812	S	S	*	*			trans	33.1	122.1	159.9	-63.6	-66.9	0	0	0	123.5
211	L	31.9	Very low	34	Very low	175 Å²	175	141.3 Å²	141.3	92%	0.916	81%	0.812	S	S	*	*				-165.1	166.5	108.2	-106.3	168.7	0	0	0	111.9
212	S	30.2	Very low	33.8	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	81%	0.812	S	S	*	*			trans	-115.8	153.9	-170.5	-54.3	0	0	0	0	112.9
213	G	29.4	Very low	33.5	Very low	70 Å²	70	142 Å²	142	72%	0.722	81%	0.814	S	S	*	*			trans	162.9	97.4	162.4	0	0	0	0	0	119.1
214	E	30.2	Very low	32.6	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	82%	0.82	S	S	*	*			trans	64.4	168.9	137.3	-74	-80.2	80	0	0	122.7
215	L	32.5	Very low	32.3	Very low	165 Å²	165	151.3 Å²	151.3	86%	0.864	82%	0.819	S	S	*	*			trans	-92.1	151.4	-171.9	-84.9	59.5	0	0	0	113.3
216	G	27.9	Very low	31.8	Very low	70 Å²	70	156.2 Å²	156.2	72%	0.722	82%	0.82	S	S	*	*			trans	-172.9	137.4	164.8	0	0	0	0	0	114.3
217	S	31.8	Very low	31.4	Very low	122 Å²	122	158.2 Å²	158.2	85%	0.853	82%	0.823	S	S	*	*			trans	-170.7	156.2	174.7	-73.6	0	0	0	0	110.5
218	P	44.7	Very low	31.2	Very low	119 Å²	119	159 Å²	159	77%	0.773	82%	0.824	S	S	*	*			cis	-135.4	148.4	-46.3	36.9	-22.7	0	0	0	111.6
219	Q	29.4	Very low	31.2	Very low	189 Å²	189	164.5 Å²	164.5	88%	0.883	83%	0.831	S	S	*	*			trans	-155.1	150.9	168.9	-122	164.7	3.9	0	0	116.4
220	E	29.7	Very low	30.5	Very low	182 Å²	182	167 Å²	167	85%	0.85	84%	0.837	S	S	*	*			trans	74.4	154	160.9	-57.1	-115.7	98.5	0	0	119.6
221	R	30	Very low	30.7	Very low	230 Å²	230	163 Å²	163	87%	0.868	84%	0.837	S	S	*	*			trans	-96.7	152.3	-168.7	-53.1	159	175.6	152.4	-4.8	109.9
222	L	27.6	Very low	30.7	Very low	165 Å²	165	167 Å²	167	86%	0.864	84%	0.84	S	S	*	*				-155.6	162.1	128.5	-134.9	66.4	0	0	0	112.8
223	I	29.8	Very low	30.7	Very low	156 Å²	156	165 Å²	165	80%	0.8	84%	0.837	S	S	*	*			trans	-89.7	124.1	-171	-62.6	162.6	0	0	0	109.8	K225	I223-K225 PolarHBondContact O-N 3.43Å
224	W	27.2	Very low	30.8	Very low	239 Å²	239	170.3 Å²	170.3	91%	0.905	85%	0.846	S	S	*	*			trans	-91.7	98.6	171.2	-79.8	84.1	0	0	0	111.3
225	K	28.5	Very low	31.2	Very low	169 Å²	169	166.5 Å²	166.5	74%	0.735	84%	0.837	S	S	*	*			trans	-74.4	148.5	149.5	-77.1	-172.5	173.4	-173.9	0	108.7	I223	I223-K225 PolarHBondContact O-N 3.43Å
226	R	30.2	Very low	31.7	Very low	237 Å²	237	163.4 Å²	163.4	89%	0.894	83%	0.827	S	S	*	*			trans	-100.7	111.5	166.4	-76.7	-178.4	173	168.5	-3	108.4
227	D	27.2	Very low	31.8	Very low	142 Å²	142	167.1 Å²	167.1	76%	0.759	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-87.7	130.8	169.4	-62.4	-46.3	0	0	0	109.6
228	F	29.5	Very low	31.9	Very low	210 Å²	210	169.8 Å²	169.8	92%	0.921	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-93.7	137.6	166.4	-107.7	-92	0	0	0	109.1
229	Q	30.3	Very low	31.3	Very low	187 Å²	187	175.4 Å²	175.4	87%	0.874	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-84.8	139.7	-174.4	-63.2	178.2	-1.1	0	0	112
230	L	32.1	Very low	31.4	Very low	166 Å²	166	172.7 Å²	172.7	87%	0.869	83%	0.834	S	S	*	*			trans	-129.6	146.5	161.2	-80.8	171.9	0	0	0	109.6
231	P	33.8	Very low	31.6	Very low	128 Å²	128	170.8 Å²	170.8	83%	0.831	83%	0.834	S	S	*	*			trans	-69.1	164.2	-178.1	-21.3	35	0	0	0	114.9
232	R	32.1	Very low	31.4	Very low	260 Å²	260	164 Å²	164	98%	0.981	83%	0.828	S	S	*	*			trans	-78.6	141.8	-170.5	-70.1	176.3	169.1	179	-4.3	115
233	G	30.8	Very low	31.4	Very low	73 Å²	73	161.5 Å²	161.5	75%	0.753	82%	0.822	S	S	*	*			trans	-160.8	136.1	155	0	0	0	0	0	109.7
234	M	31.6	Very low	31.3	Very low	182 Å²	182	164.2 Å²	164.2	90%	0.897	83%	0.829	S	S	*	*			trans	-166.6	160.6	-171.2	-104.8	-143.3	-166.6	0	0	110.9
235	P	39.2	Very low	31.3	Very low	105 Å²	105	164 Å²	164	68%	0.682	83%	0.83	S	S	*	*			cis	-133.7	-140.8	-41.8	42.5	-24.1	0	0	0	107.4
236	P	42.6	Very low	31.2	Very low	101 Å²	101	161 Å²	161	66%	0.656	83%	0.83	S	S	*	*			cis	-125.6	142.8	-34.7	33.7	-17.8	0	0	0	113.7
237	N	28.6	Very low	31.2	Very low	147 Å²	147	155.8 Å²	155.8	79%	0.786	83%	0.827	S	S	*	*				179.9	149.6	118.5	-108.9	-38.5	0	0	0	115.3
238	Q	34.2	Very low	31.3	Very low	179 Å²	179	153.7 Å²	153.7	84%	0.836	83%	0.829	S	S	*	*			trans	62.2	159	162.7	-62.6	179.9	14.8	0	0	118.1
239	R	32	Very low	31.3	Very low	237 Å²	237	150.6 Å²	150.6	89%	0.894	83%	0.827	S	S	*	*			trans	-110.8	130.2	-169	-59.9	174.3	-177.4	162.3	-1.3	110.9
240	P	31.6	Very low	31.2	Very low	132 Å²	132	146.3 Å²	146.3	86%	0.857	82%	0.823	S	S	*	*			trans	-72.6	143.3	160	-15	30.9	0	0	0	111
241	V	34.3	Very low	31	Very low	142 Å²	142	146.7 Å²	146.7	86%	0.861	83%	0.825	S	S	*	*			trans	-115.4	137.4	168.4	174	0	0	0	0	108.4
242	A	26.8	Very low	30.8	Very low	88 Å²	88	148.2 Å²	148.2	73%	0.727	82%	0.821	S	S	*	*			trans	-147.3	151.3	170.3	0	0	0	0	0	107.9
243	C	26.6	Very low	30.5	Very low	111 Å²	111	143.3 Å²	143.3	75%	0.75	81%	0.809	S	S	*	*			cis	-134.4	145.6	3.4	-51.8	0	0	0	0	109.7
244	F	27.6	Very low	30.3	Very low	213 Å²	213	148.2 Å²	148.2	93%	0.934	82%	0.818	S	S	*	*			trans	-149.5	125.1	148.5	-91.4	-71.9	0	0	0	108.7
245	Y	26.8	Very low	30.1	Very low	236 Å²	236	147 Å²	147	93%	0.925	81%	0.81	S	S	*	*			trans	-130.8	122.9	169.4	-124.2	-89.4	0	0	0	107.9
246	S	26.8	Very low	29.7	Very low	105 Å²	105	148.7 Å²	148.7	73%	0.734	81%	0.813	S	S	*	*			trans	-131.7	127.6	173.4	-175.1	0	0	0	0	107.2	A248	S246-A248 PolarHBondContact O-N 3.46Å; S246-A248 VanDerWaalsContact O-N 3.13Å
247	P	31.7	Very low	29	Very low	128 Å²	128	149.6 Å²	149.6	83%	0.831	81%	0.812	S	S	*	*			trans	-80.4	97.3	-173.1	31.1	-33.5	0	0	0	111.3
248	A	28.2	Very low	29.3	Very low	97 Å²	97	151 Å²	151	80%	0.802	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-93.9	124.1	162.8	0	0	0	0	0	109.5	S246	S246-A248 PolarHBondContact O-N 3.46Å; S246-A248 VanDerWaalsContact O-N 3.13Å
249	V	30.1	Very low	29.1	Very low	146 Å²	146	146.2 Å²	146.2	89%	0.885	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-77.3	136.9	175.7	177.4	0	0	0	0	109.5
250	A	28.1	Very low	29	Very low	96 Å²	96	141.9 Å²	141.9	79%	0.793	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70.7	144.2	-177.3	0	0	0	0	0	112.7
251	L	28.1	Very low	29	Very low	175 Å²	175	143.1 Å²	143.1	92%	0.916	80%	0.804	S	S	*	*			trans	-123.4	126.3	166.2	-130.8	173.3	0	0	0	107.1
252	Q	28.9	Very low	28.7	Very low	159 Å²	159	140 Å²	140	74%	0.743	80%	0.801	S	S	*	*			trans	-102.4	122.2	-167	-174.1	168.4	-7	0	0	112.3
253	Q	26.3	Very low	28.9	Very low	157 Å²	157	144.1 Å²	144.1	73%	0.734	81%	0.81	S	S	*	*			trans	37.3	125.3	152.6	-61.4	170.7	-63.1	0	0	119.7
254	L	26.6	Very low	29	Very low	177 Å²	177	147.5 Å²	147.5	93%	0.927	82%	0.815	S	S	*	*				-154.4	-176.3	109.9	-105.6	167.1	0	0	0	110.5
255	H	27.8	Very low	29.2	Very low	157 Å²	157	144.2 Å²	144.2	73%	0.727	81%	0.806	S	S	*	*			trans	-114.6	168.3	-147.8	-133.7	-100.1	0	0	0	115.2
256	D	28.8	Very low	29.2	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	80%	0.804	S	S	*	*			trans	66	157.4	162.4	-57.1	-34.7	0	0	0	119.1
257	D	29.5	Very low	30.4	Very low	121 Å²	121	143.8 Å²	143.8	65%	0.647	80%	0.799	S	S	*	*			cis	-165.3	163.3	-35.5	-175.1	24.9	0	0	0	108.4
258	Q	34	Very low	30.4	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	79%	0.794	S	S	*	*			trans	62.6	149.5	165.2	-74.8	161.1	61.6	0	0	120.9
259	G	30	Very low	30.5	Very low	77 Å²	77	146.8 Å²	146.8	79%	0.794	79%	0.794	S	S	*	*			trans	129.1	70.6	138.6	0	0	0	0	0	121.5
260	N	29.4	Very low	31.2	Very low	146 Å²	146	144.6 Å²	144.6	78%	0.781	78%	0.783	S	S	*	*			trans	27.5	128	145.4	-90.3	-3.4	0	0	0	124.2
261	I	31.7	Very low	31.2	Very low	158 Å²	158	147.2 Å²	147.2	81%	0.81	78%	0.78	S	S	*	*				50.1	120.8	126.4	-48.8	167.8	0	0	0	119.9
262	G	28.8	Very low	31.2	Very low	76 Å²	76	147.7 Å²	147.7	78%	0.784	77%	0.771	S	S	*	*			trans	-174.4	123.4	157.1	0	0	0	0	0	114.8
263	L	31.5	Very low	31.1	Very low	176 Å²	176	146.7 Å²	146.7	92%	0.921	77%	0.768	S	S	*	*			trans	-116.5	142.6	168.6	-83.5	163.9	0	0	0	108.5
264	E	29.3	Very low	31.2	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	77%	0.772	S	S	*	*			trans	-175	171.1	156.5	-101.2	-85	85.6	0	0	110.5
265	L	30.3	Very low	31.2	Very low	144 Å²	144	142.6 Å²	142.6	75%	0.754	76%	0.757	S	S	*	*			trans	-125.1	128.1	-167.6	-59.7	90	0	0	0	115.6
266	R	26.8	Very low	31.2	Very low	235 Å²	235	143.1 Å²	143.1	89%	0.887	76%	0.759	S	S	*	*			trans	60.5	173.9	144.7	-89	-170.8	170.2	-154.5	-3.4	118.6
267	P	51.6	Low	31.2	Very low	96 Å²	96	143.3 Å²	143.3	62%	0.623	76%	0.761	S	S	*	*			cis	-135.9	178.6	-35.3	37.9	-21.4	0	0	0	115.1
268	N	32.3	Very low	31.2	Very low	136 Å²	136	143.1 Å²	143.1	73%	0.727	77%	0.769	S	S	*	*			trans	79.9	114.6	148.6	-67.8	-15.7	0	0	0	123.4
269	L	30	Very low	31.4	Very low	152 Å²	152	140.9 Å²	140.9	80%	0.796	77%	0.769	S	S	*	*			trans	68.2	162.7	137.2	-84.8	81.8	0	0	0	119.8
270	P	45.4	Very low	31.3	Very low	100 Å²	100	140.7 Å²	140.7	65%	0.649	77%	0.768	S	S	*	*			cis	-143.7	-175.4	-38.3	40.7	-22.8	0	0	0	115.7
271	M	28.1	Very low	31.5	Very low	151 Å²	151	144.9 Å²	144.9	74%	0.744	77%	0.773	S	S	*	*			trans	84.5	126.2	153.7	-60.1	-65.5	-103	0	0	123
272	Y	28.3	Very low	31.7	Very low	185 Å²	185	143.2 Å²	143.2	73%	0.725	77%	0.772	S	S	*	*			trans	86	101.7	132.7	-90.3	-125.3	0	0	0	124.3
273	M	27.4	Very low	31.7	Very low	139 Å²	139	149.2 Å²	149.2	69%	0.685	78%	0.777	S	S	*	*				81.3	135.2	116.9	-78.7	-63.8	148.3	0	0	123.9
274	H	27.5	Very low	31.5	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.806	77%	0.766	S	S	*	*			trans	70.9	147.1	157.8	-76.2	39.2	0	0	0	117.8
275	A	27.5	Very low	31.3	Very low	74 Å²	74	140.7 Å²	140.7	61%	0.612	75%	0.752	S	S	*	*			cis	-168.3	-179.9	-18	0	0	0	0	0	110.8
276	Q	27.3	Very low	31.2	Very low	167 Å²	167	143.6 Å²	143.6	78%	0.78	75%	0.754	S	S	*	*			trans	90	150.6	157.8	-60.2	-65.3	-0.1	0	0	121.7
277	N	28.4	Very low	31.3	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	74%	0.74	S	S	*	*			trans	73.2	93.8	156.8	-63.3	-15.7	0	0	0	121.2
278	S	30.6	Very low	30.2	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	75%	0.751	S	S	*	*			trans	-76.2	155.4	149	-44.1	0	0	0	0	111.8
279	P	37.2	Very low	29.9	Very low	129 Å²	129	142.7 Å²	142.7	84%	0.838	75%	0.753	S	S	*	*				-120.5	163.7	123.8	35.5	-31.7	0	0	0	110.1
280	G	28.8	Very low	29.8	Very low	74 Å²	74	140.2 Å²	140.2	76%	0.763	75%	0.754	S	S	*	*			cis	144.5	99.6	6.2	0	0	0	0	0	108.4
281	R	33.3	Very low	28.9	Very low	234 Å²	234	144.7 Å²	144.7	88%	0.883	77%	0.766	S	S	*	*			trans	-79	151.3	-177.2	-72.9	-173.1	176.8	-146.1	3.3	112.4
282	P	35	Very low	28.9	Very low	122 Å²	122	142.3 Å²	142.3	79%	0.792	77%	0.765	S	S	*	*			trans	-76.5	156.6	156.5	32.6	-32.7	0	0	0	112.7
283	F	28.3	Very low	28.9	Very low	202 Å²	202	139.7 Å²	139.7	89%	0.886	77%	0.774	S	S	*	*			trans	-84.4	-166.1	172.3	-78.2	-112	0	0	0	110.2
284	S	27.1	Very low	29.1	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	78%	0.776	S	S	*	*			cis	-167.6	171.5	15	-146.9	0	0	0	0	107.4
285	S	27	Very low	29	Very low	80 Å²	80	142.2 Å²	142.2	56%	0.559	78%	0.781	S	S	*	*			cis	-163	178.8	-14.9	18.3	0	0	0	0	105
286	Y	27.2	Very low	29.1	Very low	204 Å²	204	148.7 Å²	148.7	80%	0.8	79%	0.791	S	S	*	*			cis	-130.5	167.7	13.3	-73.2	-96.1	0	0	0	108.1
287	D	29.3	Very low	29.1	Very low	111 Å²	111	150.2 Å²	150.2	59%	0.594	80%	0.798	S	S	*	*			cis	83.8	106.6	28.6	-171.3	34.3	0	0	0	116.1
288	L	28.7	Very low	29.2	Very low	161 Å²	161	148.2 Å²	148.2	84%	0.843	80%	0.795	S	S	*	*				-161.7	155.8	125.3	-107.1	171.4	0	0	0	112.6
289	K	26.4	Very low	29	Very low	177 Å²	177	146.9 Å²	146.9	77%	0.77	79%	0.786	S	S	*	*			trans	-94.8	155.2	-163	-51.2	160.9	-172.5	170.5	0	113.7
290	A	27.4	Very low	28.7	Very low	100 Å²	100	150 Å²	150	83%	0.826	79%	0.787	S	S	*	*				161.6	148.9	129.4	0	0	0	0	0	110.8
291	E	25.3	Very low	29	Very low	193 Å²	193	153.8 Å²	153.8	90%	0.902	79%	0.789	S	S	*	*			cis	-158.5	168.7	-33.6	-154.6	172.5	-145.7	0	0	107
292	S	28.3	Very low	29.5	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	78%	0.781	S	S	*	*			trans	-91.6	151.3	-171.9	59	0	0	0	0	114.9
293	S	28.4	Very low	29.4	Very low	130 Å²	130	148.7 Å²	148.7	91%	0.909	78%	0.784	S	S	*	*			trans	-147.1	130.4	153.3	-84.9	0	0	0	0	111.7
294	V	31.8	Very low	29.5	Very low	120 Å²	120	142.6 Å²	142.6	73%	0.727	78%	0.777	S	S	*	*			trans	-104.7	142.7	-174	174.9	0	0	0	0	110.4
295	R	25.5	Very low	29.6	Very low	245 Å²	245	144.5 Å²	144.5	93%	0.925	79%	0.785	S	S	*	*			trans	-157.9	132.3	149.7	-109.5	162.3	-142.2	-161.9	4.4	112.1
296	Y	30.7	Very low	29.8	Very low	210 Å²	210	145.6 Å²	145.6	82%	0.824	79%	0.793	S	S	*	*			trans	-75.9	153.3	163.6	-85.4	-106.1	0	0	0	110.3
297	H	26.6	Very low	30.2	Very low	200 Å²	200	140.6 Å²	140.6	93%	0.926	79%	0.788	S	S	*	*			trans	-155.4	165	137	-118.2	-86	0	0	0	110.6
298	S	29.6	Very low	31.1	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	80%	0.8	S	S	*	*			trans	-120.6	172.2	-167.5	-169.8	0	0	0	0	113.2
299	S	27.8	Very low	31.3	Very low	89 Å²	89	141.7 Å²	141.7	62%	0.622	80%	0.801	S	S	*	*			trans	65.2	146.8	174.4	41.6	0	0	0	0	115.7
300	F	30.6	Very low	31.5	Very low	194 Å²	194	140.6 Å²	140.6	85%	0.851	81%	0.808	S	S	*	*			cis	-149.6	169.9	45.6	-90.5	-90.2	0	0	0	115.5
301	L	34.8	Very low	31.5	Very low	155 Å²	155	139.4 Å²	139.4	81%	0.812	81%	0.806	S	S	*	*			trans	-129.9	155.4	166.7	-84.5	171.7	0	0	0	110.5
302	P	44	Very low	31.5	Very low	109 Å²	109	133.6 Å²	133.6	71%	0.708	80%	0.798	S	S	*	*			trans	-132	136	131.8	13.1	8.6	0	0	0	111.1
303	T	32.4	Very low	31.6	Very low	140 Å²	140	137.1 Å²	137.1	86%	0.859	81%	0.807	S	S	*	*				52.3	125.1	67.3	66.3	0	0	0	0	114.4
304	G	30.3	Very low	31.7	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	81%	0.806	S	S	*	*			cis	-163.6	-163.9	-2.3	0	0	0	0	0	108.5
305	T	29.4	Very low	32.4	Very low	141 Å²	141	141.6 Å²	141.6	87%	0.865	81%	0.805	S	S	*	*			cis	-143.9	-152.4	5.5	47.8	0	0	0	0	107.2
306	S	31.3	Very low	32.6	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	80%	0.798	S	S	*	*			cis	-160.3	-165	4.9	-159.2	0	0	0	0	110.2
307	S	34.8	Very low	32.5	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	80%	0.8	S	S	*	*			trans	-154.7	174.5	169.8	-65.4	0	0	0	0	111.7
308	P	49.1	Very low	32.5	Very low	132 Å²	132	137.2 Å²	137.2	86%	0.857	80%	0.795	S	S	*	*				-143.9	176.1	98.2	38.2	-22.7	0	0	0	115.6
309	L	32.2	Very low	32.6	Very low	163 Å²	163	139.4 Å²	139.4	85%	0.853	80%	0.804	S	S	*	*			trans	-131.4	141.2	-173.1	-82	166.2	0	0	0	113.6
310	V	30.7	Very low	32.6	Very low	154 Å²	154	146 Å²	146	93%	0.933	82%	0.815	S	S	*	*			trans	-152.2	145.1	162.7	-176.5	0	0	0	0	107.6
311	G	28.2	Very low	32.4	Very low	75 Å²	75	142 Å²	142	77%	0.773	81%	0.811	S	S	*	*			cis	-162.9	-69.4	-2.6	0	0	0	0	0	113.9
312	G	25.7	Very low	32.1	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	81%	0.806	S	S	*	*			trans	-179	163	-173.2	0	0	0	0	0	121.5
313	I	29.4	Very low	31.4	Very low	177 Å²	177	138.1 Å²	138.1	91%	0.908	80%	0.804	S	S	*	*			trans	79.5	145.9	145.8	-54.2	176	0	0	0	119.4
314	R	30.1	Very low	31.2	Very low	234 Å²	234	136.5 Å²	136.5	88%	0.883	80%	0.799	S	S	*	*			trans	-97.1	-171.2	-176.9	-62.4	175.4	159	-178.9	-4.8	111.7
315	P	47.8	Very low	31.1	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	80%	0.8	S	S	*	*			cis	-137.1	-167.4	-5.3	39.4	-18.3	0	0	0	116.3
316	Q	29.3	Very low	31.1	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	80%	0.795	S	S	*	*			trans	74.3	152.9	170.4	-59.2	-73.9	-18.2	0	0	115.5
317	R	28.6	Very low	31	Very low	230 Å²	230	144.9 Å²	144.9	87%	0.868	80%	0.803	S	S	*	*			cis	-144.7	-176.6	16.1	-152.9	175.3	-178	177.3	0.8	112
318	M	27.6	Very low	30.6	Very low	167 Å²	167	143.4 Å²	143.4	82%	0.823	80%	0.803	S	S	*	*			trans	-64.7	165.8	-176.7	-54.1	172.7	178.8	0	0	114.8
319	V	30.6	Very low	29.7	Very low	146 Å²	146	145.8 Å²	145.8	89%	0.885	81%	0.808	S	S	*	*				-161.2	161.6	89.6	151.2	0	0	0	0	113.2
320	R	27.6	Very low	29.7	Very low	228 Å²	228	143.3 Å²	143.3	86%	0.86	80%	0.804	S	S	*	*			trans	-76.2	154	-178.3	-71.3	171.9	171.3	170.7	-5.4	113.3
321	S	27.2	Very low	30.4	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	80%	0.803	S	S	*	*				46	135.8	84.8	-142.1	0	0	0	0	114.4
322	S	28	Very low	30.7	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	81%	0.806	S	S	*	*			cis	-150.1	146.5	18.7	-54	0	0	0	0	110
323	A	28.5	Very low	31.1	Very low	81 Å²	81	152 Å²	152	67%	0.669	82%	0.815	S	S	*	*				59.9	119	86.5	0	0	0	0	0	118.9
324	S	28.2	Very low	31	Very low	106 Å²	106	146.6 Å²	146.6	74%	0.741	80%	0.803	S	S	*	*			trans	69.7	163.7	162.2	-54.2	0	0	0	0	117.8
325	Y	30.1	Very low	31.1	Very low	201 Å²	201	144.1 Å²	144.1	79%	0.788	81%	0.806	S	S	*	*			cis	-158.7	150.6	16.6	-4.9	-116.3	0	0	0	113.8
326	T	28.4	Very low	30.4	Very low	121 Å²	121	149.4 Å²	149.4	74%	0.742	81%	0.812	S	S	*	*			trans	54.4	135.3	142.7	59.9	0	0	0	0	126.1
327	L	29	Very low	31.3	Very low	171 Å²	171	147.6 Å²	147.6	90%	0.895	82%	0.815	S	S	*	*			trans	71.7	119.1	136.3	-70.5	165.8	0	0	0	122.7
328	G	26.3	Very low	31.2	Very low	67 Å²	67	139.5 Å²	139.5	69%	0.691	80%	0.803	S	S	*	*				119.9	121.6	104.5	0	0	0	0	0	121
329	L	29.8	Very low	31.5	Very low	182 Å²	182	138 Å²	138	95%	0.953	80%	0.803	S	S	*	*			trans	73.3	155.8	149.8	-56.8	173.5	0	0	0	120.7
330	S	32.3	Very low	32.5	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	80%	0.8	S	S	*	*			trans	-126.9	161	168.9	-48.1	0	0	0	0	108.6
331	P	45.5	Very low	33	Very low	139 Å²	139	133.2 Å²	133.2	90%	0.903	80%	0.796	S	S	*	*				-147.8	-170.1	109.1	39.4	-22.8	0	0	0	114.6
332	N	35.3	Very low	34.4	Very low	158 Å²	158	132 Å²	132	85%	0.845	79%	0.786	S	S	*	*			trans	-101.3	143.4	-162.7	-146.1	4.3	0	0	0	113.5
333	M	33	Very low	34.6	Very low	185 Å²	185	135.4 Å²	135.4	91%	0.911	79%	0.788	S	S	*	*			trans	175.6	141.3	156.3	-91.3	-57.6	-177.5	0	0	106.7
334	G	28.4	Very low	35	Very low	63 Å²	63	138.3 Å²	138.3	65%	0.649	79%	0.792	S	S	*	*			cis	131.4	99.6	-2.7	0	0	0	0	0	112.5
335	L	32	Very low	35.2	Very low	183 Å²	183	143.3 Å²	143.3	96%	0.958	80%	0.795	S	S	*	*			trans	-169.1	160.5	166.7	-109.5	167.5	0	0	0	112.8
336	R	32.2	Very low	35.5	Very low	219 Å²	219	141.3 Å²	141.3	83%	0.826	79%	0.792	S	S	*	*			trans	-146.8	145	-176.4	-144.9	-173.1	-174.4	-151.1	2.3	110.5
337	P	47.9	Very low	35.8	Very low	129 Å²	129	141.5 Å²	141.5	84%	0.838	80%	0.799	S	S	*	*				-121.5	-170.8	104.7	-7.2	28.7	0	0	0	113.4
338	G	27.5	Very low	35.6	Very low	61 Å²	61	136.9 Å²	136.9	63%	0.629	79%	0.792	S	S	*	*			cis	-175.5	-164.8	5.6	0	0	0	0	0	112
339	V	34.4	Very low	35.7	Very low	136 Å²	136	139.8 Å²	139.8	82%	0.824	80%	0.8	S	S	*	*			trans	-152	163.9	179.1	-133.7	0	0	0	0	109.6
340	P	51.6	Low	36.5	Very low	127 Å²	127	137.3 Å²	137.3	83%	0.825	80%	0.795	S	S	*	*				-147.4	175.8	71.1	38.9	-17.9	0	0	0	118.2
341	D	37.4	Very low	36.5	Very low	145 Å²	145	138.4 Å²	138.4	78%	0.775	79%	0.792	S	S	*	*			trans	-89.8	-165.2	174.2	-107	-51.3	0	0	0	112.3
342	P	56.7	Low	36.7	Very low	85 Å²	85	137 Å²	137	55%	0.552	78%	0.783	S	S	*	*			cis	-143.1	-177.4	7	27	0.3	0	0	0	118.3
343	F	31.8	Very low	36.2	Very low	172 Å²	172	134 Å²	134	75%	0.754	77%	0.774	S	S	*	*				146.4	129.5	121.3	-84.8	-55.4	0	0	0	121
344	L	37.1	Very low	36	Very low	143 Å²	143	134.9 Å²	134.9	75%	0.749	77%	0.769	S	S	*	*			trans	66	153.8	145.8	-54.8	171.4	0	0	0	120.6
345	R	32.9	Very low	36.8	Very low	211 Å²	211	138 Å²	138	80%	0.796	78%	0.778	S	S	*	*			cis	-156.7	-179.8	-3.9	-128.6	177.7	-178.1	-159.3	2.4	115
346	H	36	Very low	36.7	Very low	158 Å²	158	139.3 Å²	139.3	73%	0.731	77%	0.77	S	S	*	*			trans	-55.8	177.5	-174.4	-50.9	-66.2	0	0	0	118.4
347	S	34.4	Very low	36.6	Very low	126 Å²	126	137.8 Å²	137.8	88%	0.881	77%	0.772	S	S	*	*			cis	-165.2	161.8	27.8	-30.7	0	0	0	0	115.4
348	G	25.9	Very low	35.7	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	76%	0.761	S	S	*	*			trans	154.3	127.6	157.7	0	0	0	0	0	116.9
349	C	27.1	Very low	35.9	Very low	129 Å²	129	139.8 Å²	139.8	87%	0.872	77%	0.77	S	S	*	*			trans	-142.7	163	175.7	-50.8	0	0	0	0	110
350	P	46.7	Very low	36	Very low	130 Å²	130	138.9 Å²	138.9	84%	0.844	77%	0.767	S	S	*	*				-140.4	177.7	73.7	35.5	-16.3	0	0	0	115.9
351	N	32.8	Very low	35.1	Very low	134 Å²	134	138 Å²	138	72%	0.717	76%	0.764	S	S	*	*			trans	-110	175.1	-175.7	-127.4	-0.5	0	0	0	110.6
352	P	48.8	Very low	34.8	Very low	109 Å²	109	140 Å²	140	71%	0.708	77%	0.769	S	S	*	*			cis	-118.1	-166.5	32.9	28.4	-4.2	0	0	0	112.5
353	S	26.6	Very low	33.8	Very low	96 Å²	96	142.1 Å²	142.1	67%	0.671	78%	0.782	S	S	*	*			cis	-157.7	-169.6	33.4	-61.4	0	0	0	0	114.1
354	Y	27.4	Very low	33.9	Very low	204 Å²	204	144.2 Å²	144.2	80%	0.8	79%	0.786	S	S	*	*			trans	-139.5	169.7	-174.6	-75.4	-69.8	0	0	0	111
355	P	45.8	Very low	34.3	Very low	127 Å²	127	143 Å²	143	83%	0.825	79%	0.786	S	S	*	*			cis	-130.3	-173.3	11.5	38.9	-19.7	0	0	0	116.6
356	R	29.6	Very low	34.2	Very low	212 Å²	212	137 Å²	137	80%	0.8	78%	0.776	S	S	*	*			trans	-84.3	166.9	179.5	-54.3	169.8	167.8	-168.5	-2.5	113.7
357	Q	30.3	Very low	34.6	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	78%	0.783	S	S	*	*				-154.7	164.3	122.9	-124.9	173.3	-3.1	0	0	115.5
358	D	28.7	Very low	34.7	Very low	115 Å²	115	136.9 Å²	136.9	62%	0.615	78%	0.784	S	S	*	*			trans	-85	176.4	-149.6	-54.1	-75.1	0	0	0	119.2
359	S	31.1	Very low	35	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	78%	0.781	S	S	*	*			trans	93.3	126.4	149.2	-57.8	0	0	0	0	120.7
360	P	37	Very low	35.3	Very low	117 Å²	117	136.1 Å²	136.1	76%	0.76	78%	0.78	S	S	*	*			trans	-109.1	149.8	173.7	39.7	-32.6	0	0	0	115.7
361	S	32.3	Very low	34.6	Very low	108 Å²	108	138 Å²	138	76%	0.755	78%	0.781	S	S	*	*			trans	44.7	105.7	146.5	64.4	0	0	0	0	121.8
362	Q	32.7	Very low	34.5	Very low	189 Å²	189	136.5 Å²	136.5	88%	0.883	79%	0.788	S	S	*	*			trans	-151.1	144.7	140.2	-80.9	-156.4	7.8	0	0	111.9
363	P	35.9	Very low	33.9	Very low	128 Å²	128	137.5 Å²	137.5	83%	0.831	79%	0.792	S	S	*	*			trans	-123.8	117.6	161	35.2	-22.1	0	0	0	113.6
364	R	33.5	Very low	34.3	Very low	217 Å²	217	138.8 Å²	138.8	82%	0.819	80%	0.801	S	S	*	*			trans	-159.6	161.9	160.1	-120.8	-165.5	170.1	-160.1	-3.5	107.8
365	P	45	Very low	35	Very low	117 Å²	117	134.8 Å²	134.8	76%	0.76	80%	0.8	S	S	*	*			cis	-138	-179.1	49.1	39.5	-21	0	0	0	116.2
366	S	30.1	Very low	34.9	Very low	84 Å²	84	134.7 Å²	134.7	59%	0.587	80%	0.799	S	S	*	*			trans	-127.5	144.4	153.7	-49.5	0	0	0	0	107.1
367	P	45.3	Very low	35.1	Very low	136 Å²	136	127.9 Å²	127.9	88%	0.883	80%	0.795	S	S	*	*			trans	-77.8	171.5	-163.3	30.2	-36.1	0	0	0	115.3
368	T	36.3	Very low	35.3	Very low	146 Å²	146	125.7 Å²	125.7	90%	0.896	80%	0.795	S	S	*	*			trans	-120.4	154.3	-157.4	-47.9	0	0	0	0	113.1
369	G	31.1	Very low	35.5	Very low	67 Å²	67	125.7 Å²	125.7	69%	0.691	80%	0.802	S	S	*	*			trans	167.8	132.2	155.9	0	0	0	0	0	113.3
370	S	34	Very low	35.9	Very low	120 Å²	120	125.7 Å²	125.7	84%	0.839	80%	0.802	S	S	*	*			cis	-149.8	151.6	-7.8	-78.5	0	0	0	0	113.2
371	L	31.5	Very low	36.4	Very low	168 Å²	168	126.4 Å²	126.4	88%	0.88	81%	0.807	S	S	*	*			trans	-35.6	143.8	170.1	-58.5	159.4	0	0	0	118.1
372	A	32.2	Very low	36.8	Very low	103 Å²	103	125.7 Å²	125.7	85%	0.851	81%	0.808	S	S	*	*			trans	-158.9	146.8	139.7	0	0	0	0	0	110.2
373	T	36.4	Very low	37.4	Very low	131 Å²	131	126.7 Å²	126.7	80%	0.804	81%	0.81	S	S	*	*			trans	-135.8	133.6	-173.1	49.4	0	0	0	0	112.7
374	S	34.8	Very low	37.7	Very low	122 Å²	122	131.9 Å²	131.9	85%	0.853	81%	0.812	S	S	*	*			trans	-173.9	161.1	148.7	-85.9	0	0	0	0	112.3
375	P	42.2	Very low	38.3	Very low	120 Å²	120	126.7 Å²	126.7	78%	0.779	81%	0.807	S	S	*	*			trans	-110.3	-147.8	-165.3	46.6	-35.1	0	0	0	112.3
376	P	42.5	Very low	38.4	Very low	125 Å²	125	125.9 Å²	125.9	81%	0.812	80%	0.802	S	S	*	*				-120.4	142.4	-120.8	30	-8.1	0	0	0	116.8
377	G	34.8	Very low	39.3	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	82%	0.817	S	S	*	*			trans	93.9	116.8	147.9	0	0	0	0	0	117.8
378	T	34.8	Very low	39.7	Very low	141 Å²	141	132.2 Å²	132.2	87%	0.865	81%	0.81	S	S	*	*				-175.1	150.7	113.8	22.9	0	0	0	0	112.3
379	C	31.1	Very low	40.5	Very low	114 Å²	114	130.9 Å²	130.9	77%	0.77	80%	0.804	S	S	*	*			trans	57.8	131.2	153.5	-63.3	0	0	0	0	123.1
380	S	39.6	Very low	41.8	Very low	117 Å²	117	131.9 Å²	131.9	82%	0.818	81%	0.805	S	S	*	*			trans	96.8	135	147	-59.1	0	0	0	0	119.2
381	P	47.7	Very low	42.9	Very low	132 Å²	132	130.8 Å²	130.8	86%	0.857	80%	0.795	S	S	*	*			trans	-91.1	132.6	-169.5	35	-34.3	0	0	0	113.3
382	A	41.1	Very low	44.3	Very low	93 Å²	93	133.7 Å²	133.7	77%	0.769	80%	0.795	S	S	*	*			trans	-126.7	137.7	163.7	0	0	0	0	0	109.7	R384	A382-R384 PolarHBondContact O-N 3.08Å
383	F	45.3	Very low	45.7	Very low	211 Å²	211	134 Å²	134	93%	0.925	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-53.7	117	-171.9	-75.1	-105.7	0	0	0	113
384	R	42.8	Very low	46.9	Very low	236 Å²	236	133.2 Å²	133.2	89%	0.891	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-77.2	122.4	152.4	-83.5	-172.3	173.7	-176.3	-0.7	108	A382	A382-R384 PolarHBondContact O-N 3.08Å
385	P	46.8	Very low	47.9	Very low	109 Å²	109	133.3 Å²	133.3	71%	0.708	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64.9	146.8	168.2	28.7	-33.7	0	0	0	109.7	Q387	P385-Q387 PolarHBondContact O-N 3.41Å
386	P	46.1	Very low	48.4	Very low	99 Å²	99	132.7 Å²	132.7	64%	0.643	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.9	136.7	178.2	26.6	-33.9	0	0	0	110.6	H388	P386-H388 PolarHBondContact O-CD2 3.25Å; P386-H388 PolarHBondContact O-N 3.47Å
387	Q	49.2	Very low	49.1	Very low	195 Å²	195	131.9 Å²	131.9	91%	0.911	77%	0.768	S	S	*	*			trans	-71.7	93.2	170.6	-72.9	-174.9	-15.6	0	0	109.1	P385	P385-Q387 PolarHBondContact O-N 3.41Å
388	H	53.1	Low	50.1	Low	158 Å²	158	134.5 Å²	134.5	73%	0.731	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-59.4	130.2	170.8	-72.8	-92.5	0	0	0	109.5	P386 A390	P386-H388 PolarHBondContact O-CD2 3.25Å; P386-H388 PolarHBondContact O-N 3.47Å; H388-A390 PolarHBondContact O-N 2.97Å
389	P	53.4	Low	51.9	Low	118 Å²	118	135.5 Å²	135.5	77%	0.766	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.2	175.6	25.9	-33.6	0	0	0	109.2
390	A	58.2	Low	54.4	Low	88 Å²	88	133.9 Å²	133.9	73%	0.727	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-54.1	133.8	-177.6	0	0	0	0	0	110.4	H388 R392	H388-A390 PolarHBondContact O-N 2.97Å; A390-R392 PolarHBondContact O-N 2.86Å; A390-R392 VanDerWaalsContact O-N 3.07Å
391	P	57.3	Low	56.8	Low	97 Å²	97	131.3 Å²	131.3	63%	0.63	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-61.1	119.1	-177.4	24.5	-33.3	0	0	0	109.2
392	R	60.9	Low	59	Low	230 Å²	230	126.8 Å²	126.8	87%	0.868	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-51.9	143.8	173.4	-80.1	-177	-82.8	-136.1	-2.6	109.3	A390	A390-R392 PolarHBondContact O-N 2.86Å; A390-R392 VanDerWaalsContact O-N 3.07Å
393	P	60.8	Low	61.4	Low	110 Å²	110	129.7 Å²	129.7	71%	0.714	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-54.3	148.7	170.7	25.9	-34.2	0	0	0	109.3
394	P	63.5	Low	63.8	Low	114 Å²	114	125 Å²	125	74%	0.74	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-55.2	141.9	173.9	26.3	-34.5	0	0	0	108.8	D396	P394-D396 PolarHBondContact O-N 2.9Å
395	P	55.3	Low	66.2	Low	124 Å²	124	114.3 Å²	114.3	81%	0.805	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-57.7	139.2	177.1	25.4	-33.6	0	0	0	109.7
396	D	53	Low	68.5	Low	106 Å²	106	111.9 Å²	111.9	57%	0.567	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-48.6	145	167.6	-79.7	-19.6	0	0	0	109.3	P394 K399	P394-D396 PolarHBondContact O-N 2.9Å; D396-K399 WeakPolarHBondContact OD2-CE 3.47Å; D396-K399 IonicContact OD2-NZ 3Å; D396-K399 PolarHBondContact OD2-NZ 2.96Å
397	P	55.7	Low	70.8	Confident	108 Å²	108	109.8 Å²	109.8	70%	0.701	61%	0.606	S	S	*	*	S	Bend	trans	-52.6	135.6	169.7	24.6	-33.9	0	0	0	108.9	K399	P397-K399 PolarHBondContact O-N 2.89Å
398	P	56.6	Low	73	Confident	124 Å²	124	102.4 Å²	102.4	81%	0.805	58%	0.578	S	S	*	*			trans	-57.5	112.7	-165.1	20.8	-32.9	0	0	0	110.6	V400	P398-V400 PolarHBondContact O-N 3.27Å
399	K	72.1	Confident	74.9	Confident	163 Å²	163	94.9 Å²	94.9	71%	0.709	54%	0.543	S	S	*	.			trans	-61.6	111.8	177.4	-69.5	172.1	-174.3	158	0	107.2	D396 P397 T401	D396-K399 WeakPolarHBondContact OD2-CE 3.47Å; D396-K399 IonicContact OD2-NZ 3Å; D396-K399 PolarHBondContact OD2-NZ 2.96Å; P397-K399 PolarHBondContact O-N 2.89Å; K399-T401 PolarHBondContact O-N 2.6Å
400	V	83.1	Confident	76.9	Confident	80 Å²	80	93.3 Å²	93.3	49%	0.485	53%	0.525	S	S	.	.			trans	-42.2	123.9	-178.1	-179.1	0	0	0	0	109.2	P398 Q404 F405 R461	P398-V400 PolarHBondContact O-N 3.27Å; V400-Q404 HydrophobicContact CG1-CB 3.64Å; V400-F405 HydrophobicContact CG1-CB 4.19Å; V400-R461 PolarHBondContact O-NH2 2.89Å
401	T	91.9	Very high	78.6	Confident	62 Å²	62	97.1 Å²	97.1	38%	0.38	53%	0.53	S	S	.	.			trans	-65.9	163.8	-176.1	74.8	0	0	0	0	110.5	K399 E403 Q404 F405	K399-T401 PolarHBondContact O-N 2.6Å; T401-E403 VanDerWaalsContact C-N 3.26Å; T401-E403 PolarHBondContact O-N 2.75Å; T401-Q404 PolarHBondContact O-N 2.77Å; T401-Q404 WeakPolarHBondContact OG1-CB 3.3Å; T401-Q404 VanDerWaalsContact OG1-CG 3.29Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.46Å; T401-Q404 PolarHBondContact OG1-N 3.15Å; T401-F405 WeakPolarHBondContact O-CB 3.4Å; T401-F405 PolarHBondContact O-N 3.26Å
402	H	91.9	Very high	80.4	Confident	37 Å²	37	94.5 Å²	94.5	17%	0.171	51%	0.512	C	S	.	.	H	α-helix	trans	-59.2	-41.6	173.7	-173.1	71	0	0	0	111.8	F405 K406 R456 E490	H402-F405 PolarHBondContact O-N 2.95Å; H402-K406 WeakPolarHBondContact O-CB 3.45Å; H402-K406 PolarHBondContact O-N 3.4Å; H402-R456 VanDerWaalsContact CE1-CG 3.48Å; H402-R456 WeakPolarHBondContact CE1-CG 3.38Å; H402-E490 IonicContact CD2-OE2 2.87Å; H402-E490 IonicContact CE1-OE2 3.33Å; H402-E490 IonicContact NE2-OE1 3.7Å; H402-E490 IonicContact NE2-OE2 2.86Å; H402-E490 PolarHBondContact NE2-OE2 2.87Å
403	E	93.2	Very high	82.1	Confident	155 Å²	155	84.2 Å²	84.2	72%	0.724	48%	0.475	S	S	*	.	H	α-helix	trans	-66.2	-42	177.8	-61.7	170.7	153.8	0	0	112.3	T401 K406 A407	T401-E403 VanDerWaalsContact C-N 3.26Å; T401-E403 PolarHBondContact O-N 2.75Å; E403-K406 PolarHBondContact O-N 3.34Å; E403-A407 VanDerWaalsContact O-CB 3.24Å; E403-A407 WeakPolarHBondContact O-CB 3.19Å; E403-A407 PolarHBondContact O-N 3.41Å
404	Q	94.2	Very high	83.8	Confident	112 Å²	112	82.6 Å²	82.6	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-62.9	-43	174.9	-74.6	169.3	-13	0	0	111.9	V400 T401 A408	V400-Q404 HydrophobicContact CG1-CB 3.64Å; T401-Q404 PolarHBondContact O-N 2.77Å; T401-Q404 WeakPolarHBondContact OG1-CB 3.3Å; T401-Q404 VanDerWaalsContact OG1-CG 3.29Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.46Å; T401-Q404 PolarHBondContact OG1-N 3.15Å; Q404-A408 WeakPolarHBondContact O-CB 3.25Å; Q404-A408 PolarHBondContact O-N 3.25Å
405	F	93.9	Very high	85.3	Confident	12 Å²	12	86.8 Å²	86.8	5%	0.053	47%	0.467	C	S	.	.	H	α-helix	trans	-64.1	-45.9	175.8	174.6	-92.6	0	0	0	111.5	V400 T401 H402 A408 L409 L455 R461 L464 F465	V400-F405 HydrophobicContact CG1-CB 4.19Å; T401-F405 WeakPolarHBondContact O-CB 3.4Å; T401-F405 PolarHBondContact O-N 3.26Å; H402-F405 PolarHBondContact O-N 2.95Å; F405-A408 PolarHBondContact O-N 2.82Å; F405-L409 HydrophobicContact CE1-CD2 4.32Å; F405-L409 PolarHBondContact O-N 3.07Å; F405-L455 HydrophobicContact CD1-CD2 4.1Å; F405-L455 HydrophobicContact CE1-CD2 3.88Å; F405-L455 HydrophobicContact CE1-CG 3.96Å; F405-R461 HydrophobicContact CD1-CG 4.27Å; F405-R461 HydrophobicContact CD2-CG 4.05Å; F405-R461 HydrophobicContact CE1-CB 4.05Å; F405-R461 HydrophobicContact CE1-CG 4.05Å; F405-R461 HydrophobicContact CE2-CB 4.28Å; F405-R461 HydrophobicContact CE2-CG 3.81Å; F405-R461 WeakPolarHBondContact CE2-O 3.42Å; F405-R461 HydrophobicContact CG-CG 4.28Å; F405-R461 HydrophobicContact CZ-CB 3.84Å; F405-R461 HydrophobicContact CZ-CG 3.83Å; F405-R461 WeakPolarHBondContact CZ-O 3.35Å; F405-L464 HydrophobicContact CE1-CD1 4.31Å; F405-L464 HydrophobicContact CZ-CB 4.5Å; F405-L464 HydrophobicContact CZ-CD1 4.26Å; F405-F465 HydrophobicContact CD2-CE2 4.16Å; F405-F465 HydrophobicContact CE2-CD2 4.18Å; F405-F465 AromaticContact CE2-CE2 3.54Å; F405-F465 HydrophobicContact CE2-CE2 3.54Å; F405-F465 HydrophobicContact CE2-CZ 4.36Å; F405-F465 HydrophobicContact CZ-CE2 4.2Å
406	K	95.1	Very high	87.1	Confident	57 Å²	57	83.6 Å²	83.6	25%	0.248	46%	0.457	C	S	.	.	H	α-helix	trans	-61	-43.9	177.3	-174.1	-179.4	-178.2	175.3	0	111.9	H402 E403 L409 Q410 L455 L487 E489 E490	H402-K406 WeakPolarHBondContact O-CB 3.45Å; H402-K406 PolarHBondContact O-N 3.4Å; E403-K406 PolarHBondContact O-N 3.34Å; K406-L409 PolarHBondContact O-N 2.92Å; K406-Q410 WeakPolarHBondContact O-CB 3.42Å; K406-Q410 PolarHBondContact O-N 3.47Å; K406-L455 HydrophobicContact CB-CD2 4.24Å; K406-L455 HydrophobicContact CG-CD2 4.18Å; K406-L487 HydrophobicContact CD-CD2 4.4Å; K406-L487 HydrophobicContact CG-CD2 3.67Å; K406-E489 WeakPolarHBondContact CE-O 3.4Å; K406-E489 PolarHBondContact NZ-O 3.31Å; K406-E490 WeakPolarHBondContact CE-OE1 3.44Å; K406-E490 IonicContact NZ-OE1 3.02Å; K406-E490 PolarHBondContact NZ-OE1 3.1Å
407	A	94.8	Very high	89.2	Confident	56 Å²	56	81.2 Å²	81.2	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-64.6	-41.2	176.1	0	0	0	0	0	112.2	E403 Q410 M411	E403-A407 VanDerWaalsContact O-CB 3.24Å; E403-A407 WeakPolarHBondContact O-CB 3.19Å; E403-A407 PolarHBondContact O-N 3.41Å; A407-Q410 WeakPolarHBondContact O-CB 3.2Å; A407-Q410 PolarHBondContact O-N 3.2Å; A407-M411 WeakPolarHBondContact O-CG 3.4Å; A407-M411 PolarHBondContact O-N 3.43Å
408	A	94.9	Very high	91.1	Very high	39 Å²	39	76.1 Å²	76.1	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-40	174.6	0	0	0	0	0	112.1	Q404 F405 M411 F465	Q404-A408 WeakPolarHBondContact O-CB 3.25Å; Q404-A408 PolarHBondContact O-N 3.25Å; F405-A408 PolarHBondContact O-N 2.82Å; A408-M411 PolarHBondContact O-N 2.87Å; A408-F465 HydrophobicContact CB-CZ 4.01Å
409	L	94.1	Very high	93	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-67.9	-38.2	174.8	-168.9	60.6	0	0	0	111.8	F405 K406 M411 V412 V413 L455 L464 F465 L487 L492	F405-L409 HydrophobicContact CE1-CD2 4.32Å; F405-L409 PolarHBondContact O-N 3.07Å; K406-L409 PolarHBondContact O-N 2.92Å; L409-M411 PolarHBondContact O-N 3.33Å; L409-V412 PolarHBondContact O-N 2.8Å; L409-V413 HydrophobicContact CD1-CG1 4.48Å; L409-V413 HydrophobicContact CG-CG1 4.44Å; L409-V413 PolarHBondContact O-N 3.22Å; L409-L455 HydrophobicContact CD2-CD1 4.21Å; L409-L455 HydrophobicContact CD2-CD2 4.12Å; L409-L455 HydrophobicContact CD2-CG 4.28Å; L409-L464 HydrophobicContact CD2-CD1 4.49Å; L409-F465 HydrophobicContact CB-CE1 4.21Å; L409-F465 HydrophobicContact CB-CZ 4.2Å; L409-F465 HydrophobicContact CD1-CD1 3.75Å; L409-F465 HydrophobicContact CD1-CE1 3.72Å; L409-F465 HydrophobicContact CD1-CG 4.33Å; L409-F465 HydrophobicContact CD1-CZ 4.27Å; L409-L487 HydrophobicContact CD2-CD1 4.34Å; L409-L492 HydrophobicContact CD2-CB 4.18Å; L409-L492 HydrophobicContact CD2-CD1 4.29Å; L409-L492 HydrophobicContact CD2-CD2 4.33Å
410	Q	95.2	Very high	94.2	Very high	85 Å²	85	71.9 Å²	71.9	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-21.5	174.8	-175.4	59.4	93.3	0	0	113.6	K406 A407 L487	K406-Q410 WeakPolarHBondContact O-CB 3.42Å; K406-Q410 PolarHBondContact O-N 3.47Å; A407-Q410 WeakPolarHBondContact O-CB 3.2Å; A407-Q410 PolarHBondContact O-N 3.2Å; Q410-L487 HydrophobicContact CB-CD2 4.02Å
411	M	93.6	Very high	94.8	Very high	168 Å²	168	70 Å²	70	83%	0.828	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.8	173.3	-67.8	175	64.7	0	0	114	A407 A408 L409	A407-M411 WeakPolarHBondContact O-CG 3.4Å; A407-M411 PolarHBondContact O-N 3.43Å; A408-M411 PolarHBondContact O-N 2.87Å; L409-M411 PolarHBondContact O-N 3.33Å
412	V	94.3	Very high	95.1	Very high	42 Å²	42	67.1 Å²	67.1	26%	0.255	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-28.7	-174.2	-179.2	0	0	0	0	112.5	L409 F465 V468 V469	L409-V412 PolarHBondContact O-N 2.8Å; V412-F465 HydrophobicContact CB-CD1 4.49Å; V412-F465 HydrophobicContact CB-CE1 4.46Å; V412-F465 HydrophobicContact CG2-CD1 4.1Å; V412-F465 HydrophobicContact CG2-CE1 3.86Å; V412-V468 HydrophobicContact CG1-CB 4.44Å; V412-V468 HydrophobicContact CG1-CG1 3.97Å; V412-V469 HydrophobicContact CG1-CG2 3.82Å
413	V	96.5	Very high	95.4	Very high	14 Å²	14	69.1 Å²	69.1	9%	0.085	36%	0.362	C	S	.	.	S	Bend	trans	-85.3	164.8	178.8	-58.6	0	0	0	0	113.3	L409 V468 S485 L487 L492	L409-V413 HydrophobicContact CD1-CG1 4.48Å; L409-V413 HydrophobicContact CG-CG1 4.44Å; L409-V413 PolarHBondContact O-N 3.22Å; V413-V468 HydrophobicContact CG1-CG2 4.14Å; V413-S485 WeakPolarHBondContact CA-OG 3.22Å; V413-L487 HydrophobicContact CG2-CB 4.11Å; V413-L492 HydrophobicContact CG1-CD1 3.6Å
414	D	96.9	Very high	95.5	Very high	76 Å²	76	66.5 Å²	66.5	41%	0.406	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-66.2	158.9	173.2	-56.6	-87.4	0	0	0	112.2	K484 S485	D414-K484 WeakPolarHBondContact OD2-CA 3.48Å; D414-S485 WeakPolarHBondContact CA-O 3.22Å; D414-S485 WeakPolarHBondContact CB-O 3.39Å; D414-S485 PolarHBondContact N-O 3.09Å; D414-S485 PolarHBondContact OD2-N 3.16Å; D414-S485 VanDerWaalsContact OD2-O 3.04Å; D414-S485 PolarHBondContact OD2-OG 3.39Å
415	K	94.5	Very high	95.7	Very high	202 Å²	202	64.6 Å²	64.6	88%	0.878	34%	0.343	S	S	*	.	S	Bend	trans	-92	139.1	177.4	-64.8	-178.4	-177.9	177.8	0	111.4
416	G	93.8	Very high	95.8	Very high	58 Å²	58	68.2 Å²	68.2	60%	0.598	37%	0.366	S	S	*	.	S	Bend	trans	109.9	163.2	175.8	0	0	0	0	0	112.9
417	D	96.3	Very high	95.8	Very high	56 Å²	56	70.8 Å²	70.8	30%	0.299	38%	0.377	S	S	.	.			trans	-94.3	118.6	-177.8	-171.7	-31.5	0	0	0	110.5	R419 T420	D417-R419 PolarHBondContact O-N 3Å; D417-R419 WeakPolarHBondContact OD1-CB 3.5Å; D417-R419 VanDerWaalsContact OD1-CG 3.23Å; D417-R419 WeakPolarHBondContact OD1-CG 3.44Å; D417-R419 PolarHBondContact OD1-N 3.47Å; D417-R419 IonicContact OD1-NE 3.18Å; D417-R419 PolarHBondContact OD1-NE 3.24Å; D417-R419 IonicContact OD2-CZ 3.67Å; D417-R419 VanDerWaalsContact OD2-CZ 3.25Å; D417-R419 IonicContact OD2-NE 3.2Å; D417-R419 PolarHBondContact OD2-NE 3.35Å; D417-R419 IonicContact OD2-NH2 3.36Å; D417-R419 PolarHBondContact OD2-NH2 3.02Å; D417-T420 HydrophobicContact CB-CG2 4.33Å; D417-T420 WeakPolarHBondContact O-CB 3.36Å; D417-T420 WeakPolarHBondContact O-CG2 3.22Å; D417-T420 PolarHBondContact O-N 2.65Å; D417-T420 VanDerWaalsContact O-N 3.15Å; D417-T420 PolarHBondContact O-OG1 3.24Å
418	P	96.9	Very high	95.6	Very high	0 Å²	0	72 Å²	72	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-62.5	-22.4	179.7	27	-35.5	0	0	0	113.9	T420 Y421 L422 A486 V488 W493 I495	P418-T420 PolarHBondContact O-N 2.96Å; P418-T420 VanDerWaalsContact O-N 3.12Å; P418-Y421 HydrophobicContact CB-CE1 4.22Å; P418-Y421 PolarHBondContact O-N 2.57Å; P418-Y421 VanDerWaalsContact O-N 3.16Å; P418-L422 HydrophobicContact CB-CD1 4.18Å; P418-L422 WeakPolarHBondContact O-CB 3.38Å; P418-L422 PolarHBondContact O-N 3.45Å; P418-A486 HydrophobicContact CG-CB 3.97Å; P418-V488 HydrophobicContact CG-CG2 3.57Å; P418-W493 HydrophobicContact CB-CE3 4.12Å; P418-W493 HydrophobicContact CB-CZ3 4.37Å; P418-W493 HydrophobicContact CG-CD2 4.19Å; P418-W493 HydrophobicContact CG-CE3 3.37Å; P418-W493 HydrophobicContact CG-CZ3 3.79Å; P418-I495 HydrophobicContact CB-CD1 4.45Å
419	R	96.6	Very high	95.3	Very high	101 Å²	101	71.4 Å²	71.4	38%	0.381	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-63.8	-16.6	176.2	-57.4	176.1	-69.2	-171.4	1.2	112.7	D417 K442 V488 E489 W493	D417-R419 PolarHBondContact O-N 3Å; D417-R419 WeakPolarHBondContact OD1-CB 3.5Å; D417-R419 VanDerWaalsContact OD1-CG 3.23Å; D417-R419 WeakPolarHBondContact OD1-CG 3.44Å; D417-R419 PolarHBondContact OD1-N 3.47Å; D417-R419 IonicContact OD1-NE 3.18Å; D417-R419 PolarHBondContact OD1-NE 3.24Å; D417-R419 IonicContact OD2-CZ 3.67Å; D417-R419 VanDerWaalsContact OD2-CZ 3.25Å; D417-R419 IonicContact OD2-NE 3.2Å; D417-R419 PolarHBondContact OD2-NE 3.35Å; D417-R419 IonicContact OD2-NH2 3.36Å; D417-R419 PolarHBondContact OD2-NH2 3.02Å; R419-K442 PolarHBondContact O-NZ 2.86Å; R419-V488 VanDerWaalsContact CZ-CG1 3.49Å; R419-E489 IonicContact CZ-OE1 3.15Å; R419-E489 IonicContact NH1-OE1 2.72Å; R419-E489 PolarHBondContact NH1-OE1 2.86Å; R419-E489 IonicContact NH2-OE1 2.73Å; R419-E489 PolarHBondContact NH2-OE1 3.17Å; R419-W493 HydrophobicContact CG-CH2 3.66Å; R419-W493 HydrophobicContact CG-CZ3 3.89Å
420	T	96.8	Very high	95	Very high	98 Å²	98	75.7 Å²	75.7	60%	0.601	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-67.3	-44.3	172.9	59.9	0	0	0	0	112.3	D417 P418 K442	D417-T420 HydrophobicContact CB-CG2 4.33Å; D417-T420 WeakPolarHBondContact O-CB 3.36Å; D417-T420 WeakPolarHBondContact O-CG2 3.22Å; D417-T420 PolarHBondContact O-N 2.65Å; D417-T420 VanDerWaalsContact O-N 3.15Å; D417-T420 PolarHBondContact O-OG1 3.24Å; P418-T420 PolarHBondContact O-N 2.96Å; P418-T420 VanDerWaalsContact O-N 3.12Å; T420-K442 PolarHBondContact O-NZ 3.34Å
421	Y	96.3	Very high	94.3	Very high	39 Å²	39	73.5 Å²	73.5	15%	0.153	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-7.6	-173.6	65.7	-95.4	0	0	0	115	P418 K442 K484	P418-Y421 HydrophobicContact CB-CE1 4.22Å; P418-Y421 PolarHBondContact O-N 2.57Å; P418-Y421 VanDerWaalsContact O-N 3.16Å; Y421-K442 WeakPolarHBondContact O-CG 3.32Å; Y421-K442 PolarHBondContact O-N 2.8Å; Y421-K484 WeakPolarHBondContact OH-CD 3.4Å
422	L	97.9	Very high	93.5	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.016	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	152.5	171	-60.5	-174.1	0	0	0	111.8	P418 F425 A439 T440 E441 K442 V448 V450 I495	P418-L422 HydrophobicContact CB-CD1 4.18Å; P418-L422 WeakPolarHBondContact O-CB 3.38Å; P418-L422 PolarHBondContact O-N 3.45Å; L422-F425 HydrophobicContact CB-CE1 4.35Å; L422-F425 HydrophobicContact CB-CE2 4.11Å; L422-F425 HydrophobicContact CB-CZ 3.56Å; L422-F425 HydrophobicContact CD1-CE1 4.36Å; L422-F425 HydrophobicContact CD1-CZ 4.23Å; L422-A439 HydrophobicContact CB-CB 4.41Å; L422-A439 HydrophobicContact CD1-CB 4.41Å; L422-T440 CarbonylContact C-O 3.55Å; L422-T440 WeakPolarHBondContact CA-O 3.39Å; L422-E441 HydrophobicContact CD2-CB 4.04Å; L422-K442 VanDerWaalsContact O-CE 3.27Å; L422-K442 WeakPolarHBondContact O-CE 3.46Å; L422-K442 PolarHBondContact O-NZ 2.83Å; L422-V448 HydrophobicContact CD1-CG2 4.22Å; L422-V448 HydrophobicContact CD2-CG2 3.9Å; L422-V450 HydrophobicContact CD1-CG2 3.8Å; L422-I495 HydrophobicContact CD1-CG1 4.16Å; L422-I495 HydrophobicContact CD1-CG2 4.45Å
423	E	97.5	Very high	93	Very high	78 Å²	78	68.6 Å²	68.6	36%	0.364	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-178.1	175.4	55.8	173.6	-129.5	0	0	112.1	F425 A439 T440 K442	E423-F425 VanDerWaalsContact C-N 3.32Å; E423-F425 PolarHBondContact O-N 3.11Å; E423-A439 WeakPolarHBondContact O-CA 3.49Å; E423-T440 PolarHBondContact N-O 3Å; E423-T440 PolarHBondContact O-N 3.38Å; E423-K442 HydrophobicContact CB-CG 4.43Å; E423-K442 HydrophobicContact CG-CD 4.44Å; E423-K442 HydrophobicContact CG-CG 3.73Å; E423-K442 WeakPolarHBondContact OE2-CE 3.46Å; E423-K442 WeakPolarHBondContact OE2-CG 3.47Å
424	N	96.4	Very high	92.6	Very high	101 Å²	101	68.8 Å²	68.8	54%	0.54	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.3	43.7	174.7	-54.2	-41.1	0	0	0	113.5	V426	N424-V426 PolarHBondContact O-N 2.8Å
425	F	97.4	Very high	92.4	Very high	72 Å²	72	67 Å²	67	32%	0.316	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	114.3	178.7	-67.1	-89.4	0	0	0	111.5	L422 E423 C437 I438 A439 V450 M452 W493	L422-F425 HydrophobicContact CB-CE1 4.35Å; L422-F425 HydrophobicContact CB-CE2 4.11Å; L422-F425 HydrophobicContact CB-CZ 3.56Å; L422-F425 HydrophobicContact CD1-CE1 4.36Å; L422-F425 HydrophobicContact CD1-CZ 4.23Å; E423-F425 VanDerWaalsContact C-N 3.32Å; E423-F425 PolarHBondContact O-N 3.11Å; F425-C437 HydrophobicContact CD1-CB 4.37Å; F425-I438 VanDerWaalsContact CA-O 3.31Å; F425-I438 WeakPolarHBondContact CA-O 3.36Å; F425-A439 HydrophobicContact CD1-CB 3.69Å; F425-A439 HydrophobicContact CE1-CB 3.68Å; F425-A439 HydrophobicContact CG-CB 4.25Å; F425-A439 HydrophobicContact CZ-CB 4.22Å; F425-V450 HydrophobicContact CE1-CG2 4.2Å; F425-M452 HydrophobicContact CD1-CE 3.44Å; F425-M452 VanDerWaalsContact CD1-CE 3.44Å; F425-M452 HydrophobicContact CE1-CE 3.58Å; F425-M452 HydrophobicContact CG-CE 4.44Å; F425-W493 HydrophobicContact CE1-CE3 4.47Å; F425-W493 AromaticContact CE1-CH2 4Å; F425-W493 HydrophobicContact CE1-CH2 4Å; F425-W493 AromaticContact CE1-CZ3 3.62Å; F425-W493 HydrophobicContact CE1-CZ3 3.62Å; F425-W493 AromaticContact CZ-CH2 3.98Å; F425-W493 HydrophobicContact CZ-CH2 3.98Å; F425-W493 AromaticContact CZ-CZ3 3.59Å; F425-W493 HydrophobicContact CZ-CZ3 3.59Å
426	V	96.6	Very high	92.5	Very high	88 Å²	88	58.7 Å²	58.7	53%	0.533	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.4	174.4	178.4	0	0	0	0	109	N424 I428 C437 I438	N424-V426 PolarHBondContact O-N 2.8Å; V426-I428 PolarHBondContact O-N 3.49Å; V426-C437 CarbonylContact O-C 3.53Å; V426-C437 WeakPolarHBondContact O-CA 3.49Å; V426-I438 HydrophobicContact CB-CG2 3.83Å; V426-I438 PolarHBondContact N-O 3.17Å; V426-I438 PolarHBondContact O-N 2.66Å
427	K	95.4	Very high	92.6	Very high	111 Å²	111	56.6 Å²	56.6	48%	0.483	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	124.7	178.1	178.4	171.2	178.5	175.7	0	110.6	G429 E430 V435	K427-G429 WeakPolarHBondContact CE-O 3.3Å; K427-E430 IonicContact NZ-OE2 2.69Å; K427-E430 PolarHBondContact NZ-OE2 2.77Å; K427-V435 HydrophobicContact CB-CG1 4.49Å; K427-V435 HydrophobicContact CD-CG1 3.74Å; K427-V435 HydrophobicContact CG-CG1 3.8Å
428	I	90.8	Very high	92.7	Very high	81 Å²	81	55 Å²	55	42%	0.415	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-17.4	176.7	60.1	170.1	0	0	0	113.2	V426 V436 I438 Y498	V426-I428 PolarHBondContact O-N 3.49Å; I428-V436 HydrophobicContact CD1-CG1 4.01Å; I428-V436 HydrophobicContact CG1-CB 4.3Å; I428-V436 HydrophobicContact CG1-CG1 3.93Å; I428-V436 WeakPolarHBondContact CG1-O 3.16Å; I428-V436 PolarHBondContact N-O 3.13Å; I428-I438 HydrophobicContact CD1-CB 4.4Å; I428-I438 HydrophobicContact CG2-CB 4.02Å; I428-I438 HydrophobicContact CG2-CG2 3.83Å; I428-Y498 HydrophobicContact CD1-CD2 4.03Å; I428-Y498 HydrophobicContact CD1-CE2 3.72Å
429	G	88.1	Confident	92.7	Very high	26 Å²	26	55 Å²	55	27%	0.268	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	171.2	179.2	0	0	0	0	0	114.3	K427 V436	K427-G429 WeakPolarHBondContact CE-O 3.3Å; G429-V436 PolarHBondContact N-O 2.85Å; G429-V436 PolarHBondContact O-N 2.8Å
430	E	87.6	Confident	92.8	Very high	91 Å²	91	51.7 Å²	51.7	43%	0.425	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	123.3	171.1	-177	172	174.4	0	0	109	K427 V435	K427-E430 IonicContact NZ-OE2 2.69Å; K427-E430 PolarHBondContact NZ-OE2 2.77Å; E430-V435 HydrophobicContact CG-CG2 4.25Å
431	G	79.4	Confident	92.8	Very high	38 Å²	38	48.3 Å²	48.3	39%	0.392	27%	0.274	S	S	.	.			trans	-112.5	-175.9	177.9	0	0	0	0	0	112.1	T433 G434	G431-T433 PolarHBondContact O-N 2.86Å; G431-G434 PolarHBondContact N-O 2.96Å; G431-G434 PolarHBondContact O-N 3.25Å
432	S	77.6	Confident	92.7	Very high	89 Å²	89	50.9 Å²	50.9	62%	0.622	29%	0.286	S	S	*	.	S	Bend	trans	-65.4	-23.4	-179.4	54.9	0	0	0	0	114.4
433	T	82.8	Confident	92.5	Very high	19 Å²	19	58.3 Å²	58.3	12%	0.117	32%	0.32	C	S	.	.	S	Bend	trans	-101.3	-16.8	-179.9	57	0	0	0	0	114	G431 K451 M453 Q458 F562	G431-T433 PolarHBondContact O-N 2.86Å; T433-K451 WeakPolarHBondContact OG1-CE 3.39Å; T433-M453 WeakPolarHBondContact O-CB 3.29Å; T433-M453 WeakPolarHBondContact O-CG 3.4Å; T433-Q458 PolarHBondContact O-NE2 3.37Å; T433-F562 HydrophobicContact CG2-CE1 4.39Å
434	G	88.3	Confident	92.4	Very high	17 Å²	17	58.8 Å²	58.8	18%	0.175	33%	0.329	C	S	.	.			trans	168.4	-173.4	-174.2	0	0	0	0	0	115.9	G431 M452	G431-G434 PolarHBondContact N-O 2.96Å; G431-G434 PolarHBondContact O-N 3.25Å; G434-M452 CarbonylContact C-O 3.47Å; G434-M452 WeakPolarHBondContact CA-O 3.42Å
435	V	93.6	Very high	92.3	Very high	40 Å²	40	56.6 Å²	56.6	24%	0.242	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	143.5	179.5	173.9	0	0	0	0	109.8	K427 E430 K451 M452	K427-V435 HydrophobicContact CB-CG1 4.49Å; K427-V435 HydrophobicContact CD-CG1 3.74Å; K427-V435 HydrophobicContact CG-CG1 3.8Å; E430-V435 HydrophobicContact CG-CG2 4.25Å; V435-K451 CarbonylContact O-C 3.46Å; V435-K451 WeakPolarHBondContact O-CA 3.31Å; V435-M452 PolarHBondContact N-O 3.31Å; V435-M452 PolarHBondContact O-N 2.98Å
436	V	95.9	Very high	92.2	Very high	27 Å²	27	57.9 Å²	57.9	16%	0.164	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	171.1	-172.3	0	0	0	0	109.4	I428 G429 A449 V450 K451 M496	I428-V436 HydrophobicContact CD1-CG1 4.01Å; I428-V436 HydrophobicContact CG1-CB 4.3Å; I428-V436 HydrophobicContact CG1-CG1 3.93Å; I428-V436 WeakPolarHBondContact CG1-O 3.16Å; I428-V436 PolarHBondContact N-O 3.13Å; G429-V436 PolarHBondContact N-O 2.85Å; G429-V436 PolarHBondContact O-N 2.8Å; V436-A449 HydrophobicContact CG1-CB 4.4Å; V436-V450 WeakPolarHBondContact CA-O 3.45Å; V436-K451 HydrophobicContact CG2-CB 4.34Å; V436-K451 HydrophobicContact CG2-CG 4.17Å; V436-M496 HydrophobicContact CG1-CE 4.08Å
437	C	97.3	Very high	92.2	Very high	13 Å²	13	58.4 Å²	58.4	9%	0.088	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.5	174.9	-65.5	0	0	0	0	110.4	F425 V426 A449 V450 M452	F425-C437 HydrophobicContact CD1-CB 4.37Å; V426-C437 CarbonylContact O-C 3.53Å; V426-C437 WeakPolarHBondContact O-CA 3.49Å; C437-A449 CarbonylContact O-C 3.09Å; C437-A449 WeakPolarHBondContact O-CA 3.17Å; C437-V450 PolarHBondContact N-O 2.98Å; C437-V450 PolarHBondContact O-N 3.08Å; C437-M452 HydrophobicContact CB-CE 4.16Å
438	I	97.1	Very high	92.3	Very high	22 Å²	22	53.2 Å²	53.2	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	145.1	156.5	-167.1	-178.6	0	0	0	108.3	F425 V426 I428 Q447 V448 Y498	F425-I438 VanDerWaalsContact CA-O 3.31Å; F425-I438 WeakPolarHBondContact CA-O 3.36Å; V426-I438 HydrophobicContact CB-CG2 3.83Å; V426-I438 PolarHBondContact N-O 3.17Å; V426-I438 PolarHBondContact O-N 2.66Å; I428-I438 HydrophobicContact CD1-CB 4.4Å; I428-I438 HydrophobicContact CG2-CB 4.02Å; I428-I438 HydrophobicContact CG2-CG2 3.83Å; I438-Q447 HydrophobicContact CD1-CB 4.12Å; I438-Q447 HydrophobicContact CD1-CG 4.1Å; I438-Q447 HydrophobicContact CG1-CB 4.33Å; I438-V448 CarbonylContact C-O 3.58Å; I438-V448 WeakPolarHBondContact CA-O 3.26Å; I438-Y498 HydrophobicContact CD1-CD1 3.44Å; I438-Y498 VanDerWaalsContact CD1-CD1 3.44Å; I438-Y498 HydrophobicContact CD1-CD2 4.49Å; I438-Y498 HydrophobicContact CD1-CE1 3.29Å; I438-Y498 HydrophobicContact CD1-CE2 4.39Å; I438-Y498 HydrophobicContact CD1-CG 4.08Å; I438-Y498 HydrophobicContact CG1-CD1 3.98Å; I438-Y498 HydrophobicContact CG1-CD2 4.44Å; I438-Y498 HydrophobicContact CG1-CE1 4.2Å; I438-Y498 HydrophobicContact CG1-CG 4.13Å
439	A	98	Very high	92.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	163.4	172.5	0	0	0	0	0	110.4	L422 E423 F425 Q447 V448 V450	L422-A439 HydrophobicContact CB-CB 4.41Å; L422-A439 HydrophobicContact CD1-CB 4.41Å; E423-A439 WeakPolarHBondContact O-CA 3.49Å; F425-A439 HydrophobicContact CD1-CB 3.69Å; F425-A439 HydrophobicContact CE1-CB 3.68Å; F425-A439 HydrophobicContact CG-CB 4.25Å; F425-A439 HydrophobicContact CZ-CB 4.22Å; A439-Q447 WeakPolarHBondContact O-CA 3.46Å; A439-V448 HydrophobicContact CB-CG2 4.2Å; A439-V448 PolarHBondContact N-O 3.43Å; A439-V448 PolarHBondContact O-N 2.91Å; A439-V450 HydrophobicContact CB-CG2 4.02Å
440	T	97.9	Very high	93.1	Very high	31 Å²	31	48.4 Å²	48.4	19%	0.19	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.1	176.7	-55.4	0	0	0	0	110.7	L422 E423	L422-T440 CarbonylContact C-O 3.55Å; L422-T440 WeakPolarHBondContact CA-O 3.39Å; E423-T440 PolarHBondContact N-O 3Å; E423-T440 PolarHBondContact O-N 3.38Å
441	E	96.8	Very high	93.6	Very high	28 Å²	28	44.3 Å²	44.3	13%	0.131	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113	174.7	179.7	177	-129.1	0	0	110.9	L422 H443 T444 G445 R446	L422-E441 HydrophobicContact CD2-CB 4.04Å; E441-H443 PolarHBondContact O-N 2.89Å; E441-H443 VanDerWaalsContact O-N 3.09Å; E441-T444 WeakPolarHBondContact CB-OG1 3.44Å; E441-T444 VanDerWaalsContact CD-OG1 3.3Å; E441-T444 HydrophobicContact CG-CG2 4.43Å; E441-T444 VanDerWaalsContact CG-OG1 3.28Å; E441-T444 WeakPolarHBondContact CG-OG1 3.28Å; E441-T444 PolarHBondContact O-N 3.21Å; E441-T444 VanDerWaalsContact O-N 3.13Å; E441-T444 PolarHBondContact O-OG1 2.82Å; E441-T444 PolarHBondContact OE2-OG1 3.16Å; E441-G445 PolarHBondContact O-N 3.49Å; E441-R446 HydrophobicContact CB-CB 4.41Å; E441-R446 VanDerWaalsContact CD-NH2 3.33Å; E441-R446 PolarHBondContact N-O 2.88Å; E441-R446 IonicContact OE1-NH2 2.75Å; E441-R446 PolarHBondContact OE1-NH2 2.83Å; E441-R446 VanDerWaalsContact OE1-NH2 3.11Å; E441-R446 IonicContact OE2-CZ 2.7Å; E441-R446 VanDerWaalsContact OE2-CZ 3.25Å; E441-R446 IonicContact OE2-NE 3.11Å; E441-R446 PolarHBondContact OE2-NE 2.89Å; E441-R446 IonicContact OE2-NH2 2.65Å; E441-R446 PolarHBondContact OE2-NH2 3.25Å
442	K	95.3	Very high	94.4	Very high	92 Å²	92	43.6 Å²	43.6	40%	0.4	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.7	-168.9	-69.1	176.8	-170.6	163.6	0	115	R419 T420 Y421 L422 E423	R419-K442 PolarHBondContact O-NZ 2.86Å; T420-K442 PolarHBondContact O-NZ 3.34Å; Y421-K442 WeakPolarHBondContact O-CG 3.32Å; Y421-K442 PolarHBondContact O-N 2.8Å; L422-K442 VanDerWaalsContact O-CE 3.27Å; L422-K442 WeakPolarHBondContact O-CE 3.46Å; L422-K442 PolarHBondContact O-NZ 2.83Å; E423-K442 HydrophobicContact CB-CG 4.43Å; E423-K442 HydrophobicContact CG-CD 4.44Å; E423-K442 HydrophobicContact CG-CG 3.73Å; E423-K442 WeakPolarHBondContact OE2-CE 3.46Å; E423-K442 WeakPolarHBondContact OE2-CG 3.47Å
443	H	93.3	Very high	95.2	Very high	160 Å²	160	39.4 Å²	39.4	74%	0.741	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.3	-173.5	-55.3	100.8	0	0	0	113.7	E441	E441-H443 PolarHBondContact O-N 2.89Å; E441-H443 VanDerWaalsContact O-N 3.09Å
444	T	95.1	Very high	95.8	Very high	88 Å²	88	40.4 Å²	40.4	54%	0.54	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-17.1	-169.6	58.8	0	0	0	0	112.9	E441 R446	E441-T444 WeakPolarHBondContact CB-OG1 3.44Å; E441-T444 VanDerWaalsContact CD-OG1 3.3Å; E441-T444 HydrophobicContact CG-CG2 4.43Å; E441-T444 VanDerWaalsContact CG-OG1 3.28Å; E441-T444 WeakPolarHBondContact CG-OG1 3.28Å; E441-T444 PolarHBondContact O-N 3.21Å; E441-T444 VanDerWaalsContact O-N 3.13Å; E441-T444 PolarHBondContact O-OG1 2.82Å; E441-T444 PolarHBondContact OE2-OG1 3.16Å; T444-R446 PolarHBondContact O-N 3.42Å; T444-R446 VanDerWaalsContact OG1-CB 3.28Å; T444-R446 WeakPolarHBondContact OG1-CB 3.41Å; T444-R446 PolarHBondContact OG1-N 2.88Å; T444-R446 VanDerWaalsContact OG1-N 3.17Å
445	G	94.6	Very high	96.1	Very high	54 Å²	54	39.7 Å²	39.7	56%	0.557	21%	0.211	S	C	*	.			trans	69.4	3.2	-168.8	0	0	0	0	0	113.9	E441 Q447	E441-G445 PolarHBondContact O-N 3.49Å; G445-Q447 PolarHBondContact O-N 3.24Å
446	R	94.9	Very high	96	Very high	99 Å²	99	45.8 Å²	45.8	37%	0.374	23%	0.23	S	C	.	.			trans	-69.2	130.5	-175.8	178.7	170.8	57.3	149.4	-2.1	110.7	E441 T444 V448 F483	E441-R446 HydrophobicContact CB-CB 4.41Å; E441-R446 VanDerWaalsContact CD-NH2 3.33Å; E441-R446 PolarHBondContact N-O 2.88Å; E441-R446 IonicContact OE1-NH2 2.75Å; E441-R446 PolarHBondContact OE1-NH2 2.83Å; E441-R446 VanDerWaalsContact OE1-NH2 3.11Å; E441-R446 IonicContact OE2-CZ 2.7Å; E441-R446 VanDerWaalsContact OE2-CZ 3.25Å; E441-R446 IonicContact OE2-NE 3.11Å; E441-R446 PolarHBondContact OE2-NE 2.89Å; E441-R446 IonicContact OE2-NH2 2.65Å; E441-R446 PolarHBondContact OE2-NH2 3.25Å; T444-R446 PolarHBondContact O-N 3.42Å; T444-R446 VanDerWaalsContact OG1-CB 3.28Å; T444-R446 WeakPolarHBondContact OG1-CB 3.41Å; T444-R446 PolarHBondContact OG1-N 2.88Å; T444-R446 VanDerWaalsContact OG1-N 3.17Å; R446-V448 HydrophobicContact CG-CG1 4.25Å; R446-F483 VanDerWaalsContact NH1-CZ 3.27Å
447	Q	97.2	Very high	95.7	Very high	100 Å²	100	53.4 Å²	53.4	47%	0.467	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.6	168.8	-69.7	-176.4	-33.4	0	0	110.6	I438 A439 G445 Y498	I438-Q447 HydrophobicContact CD1-CB 4.12Å; I438-Q447 HydrophobicContact CD1-CG 4.1Å; I438-Q447 HydrophobicContact CG1-CB 4.33Å; A439-Q447 WeakPolarHBondContact O-CA 3.46Å; G445-Q447 PolarHBondContact O-N 3.24Å; Q447-Y498 HydrophobicContact CB-CD1 4.08Å
448	V	97.8	Very high	95.2	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.6	178.5	-55.5	0	0	0	0	109.5	L422 I438 A439 R446 V450 F483 I495	L422-V448 HydrophobicContact CD1-CG2 4.22Å; L422-V448 HydrophobicContact CD2-CG2 3.9Å; I438-V448 CarbonylContact C-O 3.58Å; I438-V448 WeakPolarHBondContact CA-O 3.26Å; A439-V448 HydrophobicContact CB-CG2 4.2Å; A439-V448 PolarHBondContact N-O 3.43Å; A439-V448 PolarHBondContact O-N 2.91Å; R446-V448 HydrophobicContact CG-CG1 4.25Å; V448-V450 HydrophobicContact CG2-CG2 4.07Å; V448-F483 HydrophobicContact CG1-CD2 4.03Å; V448-F483 HydrophobicContact CG1-CE2 3.91Å; V448-I495 HydrophobicContact CB-CG2 4.02Å; V448-I495 HydrophobicContact CG1-CG2 4.48Å; V448-I495 HydrophobicContact CG2-CG2 3.83Å
449	A	97.9	Very high	94.6	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.1	168.5	0	0	0	0	0	109.4	V436 C437 I495 M496 Y498	V436-A449 HydrophobicContact CG1-CB 4.4Å; C437-A449 CarbonylContact O-C 3.09Å; C437-A449 WeakPolarHBondContact O-CA 3.17Å; A449-I495 WeakPolarHBondContact O-CA 3.38Å; A449-M496 HydrophobicContact CB-CE 3.76Å; A449-M496 HydrophobicContact CB-CG 3.8Å; A449-M496 PolarHBondContact N-O 3.38Å; A449-M496 PolarHBondContact O-N 3.34Å; A449-Y498 HydrophobicContact CB-CD2 4.45Å
450	V	97.8	Very high	94	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	111.3	-179.5	-173.3	0	0	0	0	108.5	L422 F425 V436 C437 A439 V448 M452 W493 V494 I495	L422-V450 HydrophobicContact CD1-CG2 3.8Å; F425-V450 HydrophobicContact CE1-CG2 4.2Å; V436-V450 WeakPolarHBondContact CA-O 3.45Å; C437-V450 PolarHBondContact N-O 2.98Å; C437-V450 PolarHBondContact O-N 3.08Å; A439-V450 HydrophobicContact CB-CG2 4.02Å; V448-V450 HydrophobicContact CG2-CG2 4.07Å; V450-M452 HydrophobicContact CB-CE 4.15Å; V450-M452 HydrophobicContact CG1-CE 3.73Å; V450-M452 HydrophobicContact CG1-CG 4Å; V450-W493 HydrophobicContact CG1-CB 4.23Å; V450-W493 HydrophobicContact CG1-CD2 4.02Å; V450-W493 HydrophobicContact CG1-CE3 3.72Å; V450-W493 HydrophobicContact CG1-CG 4.26Å; V450-W493 HydrophobicContact CG1-CZ3 4.43Å; V450-V494 CarbonylContact C-O 3.55Å; V450-V494 WeakPolarHBondContact CA-O 3.45Å; V450-I495 HydrophobicContact CG1-CG1 4.44Å; V450-I495 HydrophobicContact CG2-CG1 4.31Å; V450-I495 HydrophobicContact CG2-CG2 4.5Å
451	K	96.3	Very high	93.6	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.9	177	-175.4	171.7	173.6	-178.3	0	108.9	T433 V435 V436 M453 E467 W493 V494 M496 D559	T433-K451 WeakPolarHBondContact OG1-CE 3.39Å; V435-K451 CarbonylContact O-C 3.46Å; V435-K451 WeakPolarHBondContact O-CA 3.31Å; V436-K451 HydrophobicContact CG2-CB 4.34Å; V436-K451 HydrophobicContact CG2-CG 4.17Å; K451-M453 HydrophobicContact CD-CE 4.42Å; K451-M453 HydrophobicContact CD-SD 4.25Å; K451-M453 HydrophobicContact CG-CE 4.1Å; K451-M453 HydrophobicContact CG-CG 4.12Å; K451-M453 HydrophobicContact CG-SD 4.06Å; K451-E467 VanDerWaalsContact CE-OE1 3.24Å; K451-E467 WeakPolarHBondContact CE-OE1 3.27Å; K451-E467 IonicContact NZ-OE1 2.71Å; K451-E467 PolarHBondContact NZ-OE1 2.71Å; K451-E467 IonicContact NZ-OE2 2.7Å; K451-E467 PolarHBondContact NZ-OE2 2.74Å; K451-W493 WeakPolarHBondContact O-CA 3.3Å; K451-V494 HydrophobicContact CB-CB 4.43Å; K451-V494 PolarHBondContact N-O 2.85Å; K451-V494 PolarHBondContact O-N 2.77Å; K451-M496 HydrophobicContact CB-CE 4.08Å; K451-D559 IonicContact NZ-OD1 3.79Å; K451-D559 PolarHBondContact NZ-OD1 3.39Å
452	M	96.4	Very high	93.2	Very high	23 Å²	23	69 Å²	69	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.9	-172.5	-57.5	174.9	174.8	0	0	109.6	F425 G434 V435 C437 V450 W493	F425-M452 HydrophobicContact CD1-CE 3.44Å; F425-M452 VanDerWaalsContact CD1-CE 3.44Å; F425-M452 HydrophobicContact CE1-CE 3.58Å; F425-M452 HydrophobicContact CG-CE 4.44Å; G434-M452 CarbonylContact C-O 3.47Å; G434-M452 WeakPolarHBondContact CA-O 3.42Å; V435-M452 PolarHBondContact N-O 3.31Å; V435-M452 PolarHBondContact O-N 2.98Å; C437-M452 HydrophobicContact CB-CE 4.16Å; V450-M452 HydrophobicContact CB-CE 4.15Å; V450-M452 HydrophobicContact CG1-CE 3.73Å; V450-M452 HydrophobicContact CG1-CG 4Å; M452-W493 HydrophobicContact CE-CD2 4.13Å; M452-W493 HydrophobicContact CE-CE3 4.1Å; M452-W493 HydrophobicContact CE-CH2 3.61Å; M452-W493 HydrophobicContact CE-CZ2 3.6Å; M452-W493 HydrophobicContact CE-CZ3 3.87Å; M452-W493 HydrophobicContact CG-CD2 4.09Å; M452-W493 HydrophobicContact CG-CG 4.15Å; M452-W493 HydrophobicContact CG-CZ2 4.38Å; M452-W493 HydrophobicContact SD-CZ2 3.95Å
453	M	95.7	Very high	92.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	102.1	-168.3	-62	172.9	-79.7	0	0	111.2	T433 K451 L455 L464 E467 E491 L492 V494	T433-M453 WeakPolarHBondContact O-CB 3.29Å; T433-M453 WeakPolarHBondContact O-CG 3.4Å; K451-M453 HydrophobicContact CD-CE 4.42Å; K451-M453 HydrophobicContact CD-SD 4.25Å; K451-M453 HydrophobicContact CG-CE 4.1Å; K451-M453 HydrophobicContact CG-CG 4.12Å; K451-M453 HydrophobicContact CG-SD 4.06Å; M453-L455 PolarHBondContact O-N 3.1Å; M453-L464 HydrophobicContact CB-CD2 3.88Å; M453-L464 HydrophobicContact CG-CD2 4.44Å; M453-L464 HydrophobicContact SD-CD2 3.86Å; M453-E467 HydrophobicContact CE-CB 4.15Å; M453-E467 HydrophobicContact CE-CG 4Å; M453-E467 HydrophobicContact SD-CG 3.89Å; M453-E491 WeakPolarHBondContact O-CA 3.47Å; M453-L492 HydrophobicContact CB-CB 4.43Å; M453-L492 HydrophobicContact CE-CB 4.39Å; M453-L492 HydrophobicContact CE-CD2 3.72Å; M453-L492 HydrophobicContact CE-CG 3.88Å; M453-L492 PolarHBondContact N-O 3.48Å; M453-L492 PolarHBondContact O-N 2.99Å; M453-V494 HydrophobicContact CE-CB 4.3Å; M453-V494 HydrophobicContact CE-CG2 3.68Å
454	D	95.2	Very high	92.8	Very high	41 Å²	41	58.2 Å²	58.2	22%	0.219	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	121.3	174.8	174.6	-37.4	0	0	0	111.3	R456 R457 Q458	D454-R456 VanDerWaalsContact C-N 3.26Å; D454-R456 PolarHBondContact O-N 3.02Å; D454-R456 WeakPolarHBondContact OD1-CA 3.37Å; D454-R456 WeakPolarHBondContact OD1-CB 3.3Å; D454-R456 PolarHBondContact OD1-N 3.18Å; D454-R457 HydrophobicContact CB-CB 4.11Å; D454-R457 HydrophobicContact CB-CG 4.24Å; D454-R457 PolarHBondContact O-N 3.43Å; D454-R457 PolarHBondContact OD1-N 3.11Å; D454-R457 WeakPolarHBondContact OD2-CD 3.28Å; D454-R457 VanDerWaalsContact OD2-CG 3.29Å; D454-R457 WeakPolarHBondContact OD2-CG 3.43Å; D454-Q458 WeakPolarHBondContact O-CG 3.39Å; D454-Q458 PolarHBondContact O-NE2 2.76Å
455	L	93.9	Very high	92.7	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.2	-175.9	-87.9	65.4	0	0	0	114.1	F405 K406 L409 M453 L464 L487 E490 E491 L492	F405-L455 HydrophobicContact CD1-CD2 4.1Å; F405-L455 HydrophobicContact CE1-CD2 3.88Å; F405-L455 HydrophobicContact CE1-CG 3.96Å; K406-L455 HydrophobicContact CB-CD2 4.24Å; K406-L455 HydrophobicContact CG-CD2 4.18Å; L409-L455 HydrophobicContact CD2-CD1 4.21Å; L409-L455 HydrophobicContact CD2-CD2 4.12Å; L409-L455 HydrophobicContact CD2-CG 4.28Å; M453-L455 PolarHBondContact O-N 3.1Å; L455-L464 HydrophobicContact CD1-CD1 4.12Å; L455-L464 HydrophobicContact CG-CD1 3.95Å; L455-L487 HydrophobicContact CD1-CD1 3.93Å; L455-L487 HydrophobicContact CD2-CD1 3.92Å; L455-E490 WeakPolarHBondContact CB-O 3.35Å; L455-E490 WeakPolarHBondContact CD1-O 3.28Å; L455-E490 PolarHBondContact N-O 3.24Å; L455-E491 VanDerWaalsContact CD1-C 3.49Å; L455-L492 HydrophobicContact CD1-CB 3.98Å
456	R	90.9	Very high	92.4	Very high	169 Å²	169	55.2 Å²	55.2	64%	0.638	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-30.9	-177.5	-59.6	-177.8	-179.3	-123.1	-4.4	112.4	H402 D454 Q458 E490	H402-R456 VanDerWaalsContact CE1-CG 3.48Å; H402-R456 WeakPolarHBondContact CE1-CG 3.38Å; D454-R456 VanDerWaalsContact C-N 3.26Å; D454-R456 PolarHBondContact O-N 3.02Å; D454-R456 WeakPolarHBondContact OD1-CA 3.37Å; D454-R456 WeakPolarHBondContact OD1-CB 3.3Å; D454-R456 PolarHBondContact OD1-N 3.18Å; R456-Q458 VanDerWaalsContact C-N 3.34Å; R456-E490 IonicContact CZ-OE2 3.52Å; R456-E490 IonicContact NE-OE2 2.81Å; R456-E490 PolarHBondContact NE-OE2 2.83Å; R456-E490 IonicContact NH2-OE2 2.72Å; R456-E490 PolarHBondContact NH2-OE2 3.37Å
457	R	89.8	Confident	92	Very high	186 Å²	186	50.7 Å²	50.7	70%	0.702	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.3	-178.6	-69.1	174.3	69.1	-174	-3.6	114	D454 Q459	D454-R457 HydrophobicContact CB-CB 4.11Å; D454-R457 HydrophobicContact CB-CG 4.24Å; D454-R457 PolarHBondContact O-N 3.43Å; D454-R457 PolarHBondContact OD1-N 3.11Å; D454-R457 WeakPolarHBondContact OD2-CD 3.28Å; D454-R457 VanDerWaalsContact OD2-CG 3.29Å; D454-R457 WeakPolarHBondContact OD2-CG 3.43Å; R457-Q459 PolarHBondContact O-N 2.53Å
458	Q	88.1	Confident	91.8	Very high	30 Å²	30	46 Å²	46	14%	0.14	20%	0.196	C	C	.	.			trans	-68.9	125.5	176.2	-53	-50.2	-48.3	0	0	112.3	T433 D454 R456 R460 R461 L464	T433-Q458 PolarHBondContact O-NE2 3.37Å; D454-Q458 WeakPolarHBondContact O-CG 3.39Å; D454-Q458 PolarHBondContact O-NE2 2.76Å; R456-Q458 VanDerWaalsContact C-N 3.34Å; Q458-R460 PolarHBondContact O-N 3.4Å; Q458-R461 HydrophobicContact CB-CB 3.81Å; Q458-R461 HydrophobicContact CG-CB 4.22Å; Q458-L464 HydrophobicContact CG-CD1 3.84Å; Q458-L464 HydrophobicContact CG-CD2 3.95Å; Q458-L464 HydrophobicContact CG-CG 3.95Å
459	Q	84.9	Confident	91.6	Very high	148 Å²	148	47.9 Å²	47.9	69%	0.692	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29	169.3	-62.6	-62	-32.7	0	0	112.6	L92 R457	L92-Q459 HydrophobicContact CD2-CG 4.27Å; R457-Q459 PolarHBondContact O-N 2.53Å
460	R	84.9	Confident	91.2	Very high	94 Å²	94	48 Å²	48	36%	0.355	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	68.6	-177.9	-68.7	-166.1	63	-158.7	-9.7	110.5	Q458 E462 L463 V577	Q458-R460 PolarHBondContact O-N 3.4Å; R460-E462 VanDerWaalsContact CA-OE2 3.27Å; R460-E462 WeakPolarHBondContact CA-OE2 3.42Å; R460-E462 IonicContact CZ-OE1 2.71Å; R460-E462 IonicContact NE-OE1 2.73Å; R460-E462 PolarHBondContact NE-OE1 3.27Å; R460-E462 IonicContact NH2-OE1 2.68Å; R460-E462 PolarHBondContact NH2-OE1 3.06Å; R460-E462 PolarHBondContact O-N 2.98Å; R460-L463 HydrophobicContact CB-CD1 3.77Å; R460-L463 HydrophobicContact CB-CG 3.98Å; R460-L463 VanDerWaalsContact O-CB 3.31Å; R460-L463 WeakPolarHBondContact O-CB 3.47Å; R460-L463 WeakPolarHBondContact O-CG 3.39Å; R460-L463 PolarHBondContact O-N 3.45Å; R460-V577 VanDerWaalsContact NH1-CG2 3.28Å
461	R	89.5	Confident	90.8	Very high	62 Å²	62	48.4 Å²	48.4	23%	0.234	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-55.1	-24.2	-175.4	69.7	-178.4	-173.4	-170.4	-1.5	114.1	V400 F405 Q458 L463 L464	V400-R461 PolarHBondContact O-NH2 2.89Å; F405-R461 HydrophobicContact CD1-CG 4.27Å; F405-R461 HydrophobicContact CD2-CG 4.05Å; F405-R461 HydrophobicContact CE1-CB 4.05Å; F405-R461 HydrophobicContact CE1-CG 4.05Å; F405-R461 HydrophobicContact CE2-CB 4.28Å; F405-R461 HydrophobicContact CE2-CG 3.81Å; F405-R461 WeakPolarHBondContact CE2-O 3.42Å; F405-R461 HydrophobicContact CG-CG 4.28Å; F405-R461 HydrophobicContact CZ-CB 3.84Å; F405-R461 HydrophobicContact CZ-CG 3.83Å; F405-R461 WeakPolarHBondContact CZ-O 3.35Å; Q458-R461 HydrophobicContact CB-CB 3.81Å; Q458-R461 HydrophobicContact CG-CB 4.22Å; R461-L463 PolarHBondContact O-N 3.19Å; R461-L463 VanDerWaalsContact O-N 3.11Å; R461-L464 HydrophobicContact CB-CD1 4.48Å; R461-L464 WeakPolarHBondContact O-CB 3.39Å; R461-L464 WeakPolarHBondContact O-CG 3.36Å; R461-L464 PolarHBondContact O-N 2.95Å
462	E	87.8	Confident	90.7	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-61.4	-17.4	174.8	77.2	-77.4	-173.2	0	0	113.8	R460	R460-E462 VanDerWaalsContact CA-OE2 3.27Å; R460-E462 WeakPolarHBondContact CA-OE2 3.42Å; R460-E462 IonicContact CZ-OE1 2.71Å; R460-E462 IonicContact NE-OE1 2.73Å; R460-E462 PolarHBondContact NE-OE1 3.27Å; R460-E462 IonicContact NH2-OE1 2.68Å; R460-E462 PolarHBondContact NH2-OE1 3.06Å; R460-E462 PolarHBondContact O-N 2.98Å
463	L	89.5	Confident	90.5	Very high	22 Å²	22	56.1 Å²	56.1	12%	0.115	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-77.8	-15.8	173.6	-59.7	-179	0	0	0	113.5	R460 R461 F465 N466 G561 F562	R460-L463 HydrophobicContact CB-CD1 3.77Å; R460-L463 HydrophobicContact CB-CG 3.98Å; R460-L463 VanDerWaalsContact O-CB 3.31Å; R460-L463 WeakPolarHBondContact O-CB 3.47Å; R460-L463 WeakPolarHBondContact O-CG 3.39Å; R460-L463 PolarHBondContact O-N 3.45Å; R461-L463 PolarHBondContact O-N 3.19Å; R461-L463 VanDerWaalsContact O-N 3.11Å; L463-F465 PolarHBondContact O-N 2.95Å; L463-N466 VanDerWaalsContact O-CB 3.23Å; L463-N466 WeakPolarHBondContact O-CB 3.49Å; L463-N466 PolarHBondContact O-N 3.21Å; L463-N466 PolarHBondContact O-ND2 3.15Å; L463-G561 WeakPolarHBondContact CB-O 3.39Å; L463-F562 HydrophobicContact CD1-CD1 4.08Å; L463-F562 HydrophobicContact CD1-CE1 4.39Å
464	L	91.8	Very high	90.4	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-26.6	176.8	-68.4	179.2	0	0	0	112.9	F405 L409 M453 L455 Q458 R461 N466 E467 L492	F405-L464 HydrophobicContact CE1-CD1 4.31Å; F405-L464 HydrophobicContact CZ-CB 4.5Å; F405-L464 HydrophobicContact CZ-CD1 4.26Å; L409-L464 HydrophobicContact CD2-CD1 4.49Å; M453-L464 HydrophobicContact CB-CD2 3.88Å; M453-L464 HydrophobicContact CG-CD2 4.44Å; M453-L464 HydrophobicContact SD-CD2 3.86Å; L455-L464 HydrophobicContact CD1-CD1 4.12Å; L455-L464 HydrophobicContact CG-CD1 3.95Å; Q458-L464 HydrophobicContact CG-CD1 3.84Å; Q458-L464 HydrophobicContact CG-CD2 3.95Å; Q458-L464 HydrophobicContact CG-CG 3.95Å; R461-L464 HydrophobicContact CB-CD1 4.48Å; R461-L464 WeakPolarHBondContact O-CB 3.39Å; R461-L464 WeakPolarHBondContact O-CG 3.36Å; R461-L464 PolarHBondContact O-N 2.95Å; L464-N466 PolarHBondContact O-N 3.37Å; L464-E467 PolarHBondContact O-N 3.44Å; L464-L492 HydrophobicContact CB-CD2 3.91Å; L464-L492 HydrophobicContact CD2-CD2 4.29Å
465	F	92	Very high	90.4	Very high	51 Å²	51	62.1 Å²	62.1	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-27.6	172.9	-73	-75.9	0	0	0	112.5	F405 A408 L409 V412 L463 V468 V469	F405-F465 HydrophobicContact CD2-CE2 4.16Å; F405-F465 HydrophobicContact CE2-CD2 4.18Å; F405-F465 AromaticContact CE2-CE2 3.54Å; F405-F465 HydrophobicContact CE2-CE2 3.54Å; F405-F465 HydrophobicContact CE2-CZ 4.36Å; F405-F465 HydrophobicContact CZ-CE2 4.2Å; A408-F465 HydrophobicContact CB-CZ 4.01Å; L409-F465 HydrophobicContact CB-CE1 4.21Å; L409-F465 HydrophobicContact CB-CZ 4.2Å; L409-F465 HydrophobicContact CD1-CD1 3.75Å; L409-F465 HydrophobicContact CD1-CE1 3.72Å; L409-F465 HydrophobicContact CD1-CG 4.33Å; L409-F465 HydrophobicContact CD1-CZ 4.27Å; V412-F465 HydrophobicContact CB-CD1 4.49Å; V412-F465 HydrophobicContact CB-CE1 4.46Å; V412-F465 HydrophobicContact CG2-CD1 4.1Å; V412-F465 HydrophobicContact CG2-CE1 3.86Å; L463-F465 PolarHBondContact O-N 2.95Å; F465-V468 PolarHBondContact O-N 3.22Å; F465-V469 VanDerWaalsContact O-CB 3.29Å; F465-V469 WeakPolarHBondContact O-CB 3.47Å; F465-V469 VanDerWaalsContact O-CG2 3.28Å; F465-V469 WeakPolarHBondContact O-CG2 3.26Å; F465-V469 PolarHBondContact O-N 3.49Å
466	N	88.1	Confident	90.6	Very high	28 Å²	28	64.3 Å²	64.3	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-44.5	179.3	-66	-31.9	0	0	0	111.9	L463 L464 V468 V469 I470 F560 G561 C563	L463-N466 VanDerWaalsContact O-CB 3.23Å; L463-N466 WeakPolarHBondContact O-CB 3.49Å; L463-N466 PolarHBondContact O-N 3.21Å; L463-N466 PolarHBondContact O-ND2 3.15Å; L464-N466 PolarHBondContact O-N 3.37Å; N466-V468 PolarHBondContact O-N 2.64Å; N466-V469 PolarHBondContact O-N 3.03Å; N466-I470 HydrophobicContact CB-CG1 4.21Å; N466-I470 WeakPolarHBondContact O-CB 3.41Å; N466-I470 VanDerWaalsContact O-CG1 3.29Å; N466-I470 WeakPolarHBondContact O-CG1 3.34Å; N466-I470 PolarHBondContact O-N 2.93Å; N466-F560 WeakPolarHBondContact CB-O 3.38Å; N466-G561 PolarHBondContact ND2-O 3.18Å; N466-C563 HydrophobicContact CB-CB 4.36Å; N466-C563 PolarHBondContact ND2-O 2.67Å
467	E	87.8	Confident	90.9	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-34.5	-178	-54.1	-87.9	-165.4	0	0	111.1	K451 M453 L464 M471 V494 G561	K451-E467 VanDerWaalsContact CE-OE1 3.24Å; K451-E467 WeakPolarHBondContact CE-OE1 3.27Å; K451-E467 IonicContact NZ-OE1 2.71Å; K451-E467 PolarHBondContact NZ-OE1 2.71Å; K451-E467 IonicContact NZ-OE2 2.7Å; K451-E467 PolarHBondContact NZ-OE2 2.74Å; M453-E467 HydrophobicContact CE-CB 4.15Å; M453-E467 HydrophobicContact CE-CG 4Å; M453-E467 HydrophobicContact SD-CG 3.89Å; L464-E467 PolarHBondContact O-N 3.44Å; E467-M471 WeakPolarHBondContact O-CB 3.18Å; E467-M471 WeakPolarHBondContact O-CG 3.16Å; E467-V494 HydrophobicContact CB-CG2 4.15Å; E467-G561 WeakPolarHBondContact OE1-CA 3.46Å; E467-G561 PolarHBondContact OE1-N 2.86Å; E467-G561 PolarHBondContact OE2-N 3.11Å
468	V	92.2	Very high	91.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-85.2	-52.6	178.2	-173.9	0	0	0	0	112	V412 V413 F465 N466 R472 M482 S485 L492 V494	V412-V468 HydrophobicContact CG1-CB 4.44Å; V412-V468 HydrophobicContact CG1-CG1 3.97Å; V413-V468 HydrophobicContact CG1-CG2 4.14Å; F465-V468 PolarHBondContact O-N 3.22Å; N466-V468 PolarHBondContact O-N 2.64Å; V468-R472 WeakPolarHBondContact O-CB 3.49Å; V468-R472 PolarHBondContact O-N 3.32Å; V468-R472 VanDerWaalsContact O-N 3.14Å; V468-M482 HydrophobicContact CG1-CE 4.42Å; V468-S485 WeakPolarHBondContact CG1-OG 3.32Å; V468-L492 HydrophobicContact CG2-CD1 3.9Å; V468-L492 HydrophobicContact CG2-CD2 3.91Å; V468-L492 HydrophobicContact CG2-CG 4.48Å; V468-V494 HydrophobicContact CG2-CG2 4.32Å
469	V	92.8	Very high	91.8	Very high	43 Å²	43	53 Å²	53	26%	0.261	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-42.7	-171.7	175.2	0	0	0	0	111.2	V412 F465 N466 D473	V412-V469 HydrophobicContact CG1-CG2 3.82Å; F465-V469 VanDerWaalsContact O-CB 3.29Å; F465-V469 WeakPolarHBondContact O-CB 3.47Å; F465-V469 VanDerWaalsContact O-CG2 3.28Å; F465-V469 WeakPolarHBondContact O-CG2 3.26Å; F465-V469 PolarHBondContact O-N 3.49Å; N466-V469 PolarHBondContact O-N 3.03Å; V469-D473 WeakPolarHBondContact CG1-OD2 3.48Å; V469-D473 VanDerWaalsContact O-CB 3.24Å; V469-D473 WeakPolarHBondContact O-CB 3.45Å; V469-D473 VanDerWaalsContact O-CG 3.25Å; V469-D473 PolarHBondContact O-N 3.01Å
470	I	90.9	Very high	92.3	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-46.2	-177.3	-56.4	-61.3	0	0	0	110.8	N466 R472 D473 Y474 V537 F560 C563	N466-I470 HydrophobicContact CB-CG1 4.21Å; N466-I470 WeakPolarHBondContact O-CB 3.41Å; N466-I470 VanDerWaalsContact O-CG1 3.29Å; N466-I470 WeakPolarHBondContact O-CG1 3.34Å; N466-I470 PolarHBondContact O-N 2.93Å; I470-R472 VanDerWaalsContact C-N 3.3Å; I470-R472 PolarHBondContact O-N 3.47Å; I470-D473 PolarHBondContact O-N 3.21Å; I470-Y474 HydrophobicContact CB-CD2 4.43Å; I470-Y474 HydrophobicContact CD1-CD2 4.17Å; I470-Y474 HydrophobicContact CD1-CE2 3.91Å; I470-Y474 HydrophobicContact CG2-CD2 3.97Å; I470-Y474 WeakPolarHBondContact O-CB 3.49Å; I470-Y474 WeakPolarHBondContact O-CD2 3.35Å; I470-Y474 PolarHBondContact O-N 3.26Å; I470-V537 HydrophobicContact CD1-CG1 4.14Å; I470-V537 HydrophobicContact CD1-CG2 4.28Å; I470-V537 HydrophobicContact CG2-CG1 4.26Å; I470-F560 HydrophobicContact CB-CB 4.2Å; I470-F560 HydrophobicContact CG2-CB 4.12Å; I470-F560 HydrophobicContact CG2-CD1 3.6Å; I470-F560 HydrophobicContact CG2-CE1 4.4Å; I470-F560 HydrophobicContact CG2-CG 4.04Å; I470-C563 HydrophobicContact CG1-CB 4.01Å
471	M	89.3	Confident	92.8	Very high	7 Å²	7	46 Å²	46	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-72.4	-22	-178.5	-59.5	-175.9	73.5	0	0	113.6	E467 V480 M482 V494 M496 F560	E467-M471 WeakPolarHBondContact O-CB 3.18Å; E467-M471 WeakPolarHBondContact O-CG 3.16Å; M471-V480 HydrophobicContact CE-CB 3.89Å; M471-V480 HydrophobicContact CE-CG1 3.63Å; M471-V480 WeakPolarHBondContact CE-O 3.43Å; M471-M482 HydrophobicContact CB-CB 3.65Å; M471-M482 HydrophobicContact CB-SD 4.43Å; M471-M482 HydrophobicContact CE-CB 4.18Å; M471-V494 HydrophobicContact SD-CG1 4.3Å; M471-M496 HydrophobicContact CE-CB 4.41Å; M471-M496 HydrophobicContact CE-SD 4.38Å; M471-F560 HydrophobicContact CE-CD2 4.28Å; M471-F560 HydrophobicContact CE-CE2 4.44Å; M471-F560 HydrophobicContact CG-CB 4.23Å; M471-F560 HydrophobicContact CG-CD2 3.49Å; M471-F560 VanDerWaalsContact CG-CD2 3.49Å; M471-F560 HydrophobicContact CG-CE2 4.2Å; M471-F560 HydrophobicContact CG-CG 4.01Å; M471-F560 HydrophobicContact SD-CD2 3.85Å
472	R	92.4	Very high	93.2	Very high	111 Å²	111	43.9 Å²	43.9	42%	0.419	21%	0.205	S	C	.	.	H	α-helix	trans	-80.2	-45.3	172.7	-168.4	-172.5	65.4	-146.5	-11.9	112.2	V468 I470 M482	V468-R472 WeakPolarHBondContact O-CB 3.49Å; V468-R472 PolarHBondContact O-N 3.32Å; V468-R472 VanDerWaalsContact O-N 3.14Å; I470-R472 VanDerWaalsContact C-N 3.3Å; I470-R472 PolarHBondContact O-N 3.47Å; R472-M482 HydrophobicContact CB-CE 3.67Å; R472-M482 HydrophobicContact CG-CE 4.24Å
473	D	93.3	Very high	93.5	Very high	80 Å²	80	42.3 Å²	42.3	43%	0.428	20%	0.197	S	C	.	.	H	α-helix	trans	-91.1	-14.8	-167.3	-58.9	-7.5	0	0	0	112.7	V469 I470	V469-D473 WeakPolarHBondContact CG1-OD2 3.48Å; V469-D473 VanDerWaalsContact O-CB 3.24Å; V469-D473 WeakPolarHBondContact O-CB 3.45Å; V469-D473 VanDerWaalsContact O-CG 3.25Å; V469-D473 PolarHBondContact O-N 3.01Å; I470-D473 PolarHBondContact O-N 3.21Å
474	Y	93.8	Very high	93.9	Very high	29 Å²	29	45.6 Å²	45.6	11%	0.114	21%	0.21	C	C	.	.			trans	-126.7	93.2	-179.8	-57.1	-71.6	0	0	0	112.7	I470 L532 Q535 V537 Q565	I470-Y474 HydrophobicContact CB-CD2 4.43Å; I470-Y474 HydrophobicContact CD1-CD2 4.17Å; I470-Y474 HydrophobicContact CD1-CE2 3.91Å; I470-Y474 HydrophobicContact CG2-CD2 3.97Å; I470-Y474 WeakPolarHBondContact O-CB 3.49Å; I470-Y474 WeakPolarHBondContact O-CD2 3.35Å; I470-Y474 PolarHBondContact O-N 3.26Å; Y474-L532 HydrophobicContact CG-CD2 4.32Å; Y474-Q535 HydrophobicContact CD1-CB 4.07Å; Y474-Q535 HydrophobicContact CD1-CG 3.93Å; Y474-Q535 HydrophobicContact CE1-CB 3.47Å; Y474-Q535 VanDerWaalsContact CE1-CB 3.47Å; Y474-Q535 HydrophobicContact CE1-CG 3.69Å; Y474-V537 HydrophobicContact CD2-CG2 4.06Å; Y474-V537 HydrophobicContact CE1-CG2 4.27Å; Y474-V537 HydrophobicContact CE2-CG2 3.59Å; Y474-Q565 PolarHBondContact OH-NE2 3.41Å
475	Q	95.1	Very high	94.1	Very high	138 Å²	138	45.5 Å²	45.5	65%	0.645	21%	0.21	S	C	*	.			trans	-98.5	130.1	178.8	-64.5	-175.1	-19.5	0	0	111.7	Y531	Q475-Y531 PolarHBondContact N-OH 3Å; Q475-Y531 PolarHBondContact O-OH 2.76Å
476	H	97.8	Very high	94.4	Very high	47 Å²	47	43.3 Å²	43.3	22%	0.218	20%	0.201	C	C	.	.			trans	-150.1	150.7	177.8	-180	-112.1	0	0	0	111.7	N478 V479 Y531	H476-N478 PolarHBondContact CE1-OD1 3.24Å; H476-N478 PolarHBondContact ND1-N 2.82Å; H476-N478 PolarHBondContact O-N 2.82Å; H476-N478 VanDerWaalsContact O-N 3.08Å; H476-V479 HydrophobicContact CB-CB 4.13Å; H476-V479 HydrophobicContact CB-CG2 3.95Å; H476-V479 PolarHBondContact O-N 2.8Å; H476-Y531 HydrophobicContact CB-CD1 3.67Å; H476-Y531 HydrophobicContact CB-CE1 3.88Å; H476-Y531 HydrophobicContact CB-CG 4.34Å
477	K	97.4	Very high	94.8	Very high	128 Å²	128	43 Å²	43	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.1	-178.5	53.5	153.9	-173.3	167.4	0	114.6	K556	K477-K556 WeakPolarHBondContact O-CE 3.29Å
478	N	98.4	Very high	95.3	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.08	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	24.1	177.4	-57.5	103.1	0	0	0	113	H476 A524 A528 V555 K556 L557	H476-N478 PolarHBondContact CE1-OD1 3.24Å; H476-N478 PolarHBondContact ND1-N 2.82Å; H476-N478 PolarHBondContact O-N 2.82Å; H476-N478 VanDerWaalsContact O-N 3.08Å; N478-A524 WeakPolarHBondContact CB-O 3.33Å; N478-A524 WeakPolarHBondContact ND2-CB 3.21Å; N478-A528 HydrophobicContact CB-CB 4.1Å; N478-V555 PolarHBondContact ND2-O 3Å; N478-K556 WeakPolarHBondContact O-CA 3.5Å; N478-L557 PolarHBondContact O-N 2.88Å
479	V	97.6	Very high	95.3	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.03	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-118.9	146.8	171.3	163.7	0	0	0	0	108.4	H476 E481 A528 K556 F560	H476-V479 HydrophobicContact CB-CB 4.13Å; H476-V479 HydrophobicContact CB-CG2 3.95Å; H476-V479 PolarHBondContact O-N 2.8Å; V479-E481 PolarHBondContact O-N 3.37Å; V479-A528 HydrophobicContact CG2-CB 4.05Å; V479-K556 WeakPolarHBondContact O-CD 3.35Å; V479-F560 HydrophobicContact CB-CZ 4.37Å; V479-F560 HydrophobicContact CG1-CE1 4.46Å; V479-F560 HydrophobicContact CG1-CE2 3.95Å; V479-F560 HydrophobicContact CG1-CZ 3.61Å; V479-F560 HydrophobicContact CG2-CZ 4.12Å
480	V	96.8	Very high	95.4	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-67.7	125.9	173.7	173.2	0	0	0	0	110.7	M471 M496 E497 L499 L548 K556 L557	M471-V480 HydrophobicContact CE-CB 3.89Å; M471-V480 HydrophobicContact CE-CG1 3.63Å; M471-V480 WeakPolarHBondContact CE-O 3.43Å; V480-M496 HydrophobicContact CG1-CB 3.96Å; V480-M496 HydrophobicContact CG1-CG 4.17Å; V480-M496 HydrophobicContact CG1-SD 4.1Å; V480-E497 WeakPolarHBondContact CA-OE1 3.45Å; V480-E497 HydrophobicContact CG1-CG 4.11Å; V480-L499 HydrophobicContact CG2-CD1 3.8Å; V480-L548 HydrophobicContact CG2-CD1 4.15Å; V480-K556 HydrophobicContact CG2-CB 4.11Å; V480-L557 WeakPolarHBondContact CG2-O 3.49Å; V480-L557 PolarHBondContact N-O 3.27Å
481	E	95.7	Very high	95.7	Very high	92 Å²	92	52.3 Å²	52.3	43%	0.43	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-75.5	120.9	176.8	-172.1	-175.2	159	0	0	111	V479 F483 M496 E497	V479-E481 PolarHBondContact O-N 3.37Å; E481-F483 HydrophobicContact CG-CD1 4.17Å; E481-F483 HydrophobicContact CG-CE1 4.1Å; E481-F483 WeakPolarHBondContact OE1-CD1 3.17Å; E481-F483 VanDerWaalsContact OE1-CE1 3.31Å; E481-F483 WeakPolarHBondContact OE1-CE1 3.18Å; E481-M496 CarbonylContact O-C 3.31Å; E481-M496 WeakPolarHBondContact O-CA 3.37Å; E481-M496 VanDerWaalsContact O-CB 3.27Å; E481-M496 WeakPolarHBondContact O-CB 3.43Å; E481-E497 HydrophobicContact CB-CG 4.47Å; E481-E497 PolarHBondContact N-OE1 3.01Å; E481-E497 PolarHBondContact O-N 3.13Å
482	M	96.1	Very high	96.1	Very high	17 Å²	17	52 Å²	52	8%	0.084	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.9	163.8	-179.3	-175	76.1	0	0	109.4	V468 M471 R472 K484 V494	V468-M482 HydrophobicContact CG1-CE 4.42Å; M471-M482 HydrophobicContact CB-CB 3.65Å; M471-M482 HydrophobicContact CB-SD 4.43Å; M471-M482 HydrophobicContact CE-CB 4.18Å; R472-M482 HydrophobicContact CB-CE 3.67Å; R472-M482 HydrophobicContact CG-CE 4.24Å; M482-K484 WeakPolarHBondContact CG-O 3.44Å; M482-V494 HydrophobicContact CG-CG1 3.87Å; M482-V494 HydrophobicContact SD-CG1 3.84Å
483	F	95.6	Very high	96.3	Very high	57 Å²	57	47.5 Å²	47.5	25%	0.25	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-44.1	172.7	-57.7	-45.3	0	0	0	111.9	R446 V448 E481 I495 E497	R446-F483 VanDerWaalsContact NH1-CZ 3.27Å; V448-F483 HydrophobicContact CG1-CD2 4.03Å; V448-F483 HydrophobicContact CG1-CE2 3.91Å; E481-F483 HydrophobicContact CG-CD1 4.17Å; E481-F483 HydrophobicContact CG-CE1 4.1Å; E481-F483 WeakPolarHBondContact OE1-CD1 3.17Å; E481-F483 VanDerWaalsContact OE1-CE1 3.31Å; E481-F483 WeakPolarHBondContact OE1-CE1 3.18Å; F483-I495 HydrophobicContact CD2-CG2 4.47Å; F483-I495 PolarHBondContact N-O 3.11Å; F483-E497 HydrophobicContact CE1-CB 4.5Å; F483-E497 HydrophobicContact CE2-CB 4.17Å; F483-E497 HydrophobicContact CZ-CB 3.73Å
484	K	96.1	Very high	96.5	Very high	91 Å²	91	43.7 Å²	43.7	40%	0.396	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	162.8	-177.2	-69.6	-170.4	177.6	174.9	0	111.9	D414 Y421 M482 I495	D414-K484 WeakPolarHBondContact OD2-CA 3.48Å; Y421-K484 WeakPolarHBondContact OH-CD 3.4Å; M482-K484 WeakPolarHBondContact CG-O 3.44Å; K484-I495 HydrophobicContact CB-CB 4.38Å; K484-I495 HydrophobicContact CB-CD1 4.27Å; K484-I495 PolarHBondContact N-O 3.12Å; K484-I495 VanDerWaalsContact N-O 3.15Å; K484-I495 PolarHBondContact O-N 3.25Å
485	S	97.3	Very high	96.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.7	168.6	60	0	0	0	0	110.3	V413 D414 V468 W493	V413-S485 WeakPolarHBondContact CA-OG 3.22Å; D414-S485 WeakPolarHBondContact CA-O 3.22Å; D414-S485 WeakPolarHBondContact CB-O 3.39Å; D414-S485 PolarHBondContact N-O 3.09Å; D414-S485 PolarHBondContact OD2-N 3.16Å; D414-S485 VanDerWaalsContact OD2-O 3.04Å; D414-S485 PolarHBondContact OD2-OG 3.39Å; V468-S485 WeakPolarHBondContact CG1-OG 3.32Å; S485-W493 CarbonylContact C-O 3.54Å; S485-W493 WeakPolarHBondContact CA-O 3.27Å
486	A	97.8	Very high	96.8	Very high	4 Å²	4	37 Å²	37	3%	0.033	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.6	179.5	0	0	0	0	0	111.4	P418 W493	P418-A486 HydrophobicContact CG-CB 3.97Å; A486-W493 PolarHBondContact N-O 2.88Å; A486-W493 PolarHBondContact O-N 3.01Å
487	L	97.6	Very high	96.7	Very high	23 Å²	23	36.1 Å²	36.1	12%	0.12	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.3	170.8	-175.4	73.6	0	0	0	108.6	K406 L409 Q410 V413 L455	K406-L487 HydrophobicContact CD-CD2 4.4Å; K406-L487 HydrophobicContact CG-CD2 3.67Å; L409-L487 HydrophobicContact CD2-CD1 4.34Å; Q410-L487 HydrophobicContact CB-CD2 4.02Å; V413-L487 HydrophobicContact CG2-CB 4.11Å; L455-L487 HydrophobicContact CD1-CD1 3.93Å; L455-L487 HydrophobicContact CD2-CD1 3.92Å
488	V	96.6	Very high	96.7	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	105	-178.8	-174.2	0	0	0	0	108.3	P418 R419 E490 E491 W493	P418-V488 HydrophobicContact CG-CG2 3.57Å; R419-V488 VanDerWaalsContact CZ-CG1 3.49Å; V488-E490 PolarHBondContact O-N 2.9Å; V488-E491 PolarHBondContact N-O 3.39Å; V488-E491 PolarHBondContact O-N 3.33Å; V488-W493 HydrophobicContact CB-CD2 4.12Å; V488-W493 HydrophobicContact CB-CG 4.2Å; V488-W493 HydrophobicContact CB-CZ2 4.4Å; V488-W493 HydrophobicContact CG1-CZ2 4.12Å; V488-W493 HydrophobicContact CG2-CB 4.23Å; V488-W493 HydrophobicContact CG2-CD2 3.57Å; V488-W493 HydrophobicContact CG2-CE3 3.96Å; V488-W493 HydrophobicContact CG2-CG 3.7Å; V488-W493 HydrophobicContact CG2-CZ2 4.46Å
489	E	93.6	Very high	96.6	Very high	125 Å²	125	32.3 Å²	32.3	58%	0.584	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	-96	-177.2	-70.4	161.7	-138.9	0	0	112.8	K406 R419	K406-E489 WeakPolarHBondContact CE-O 3.4Å; K406-E489 PolarHBondContact NZ-O 3.31Å; R419-E489 IonicContact CZ-OE1 3.15Å; R419-E489 IonicContact NH1-OE1 2.72Å; R419-E489 PolarHBondContact NH1-OE1 2.86Å; R419-E489 IonicContact NH2-OE1 2.73Å; R419-E489 PolarHBondContact NH2-OE1 3.17Å
490	E	94.9	Very high	96.4	Very high	54 Å²	54	35 Å²	35	25%	0.252	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	12.8	179.4	-66.5	-74.7	106.5	0	0	113	H402 K406 L455 R456 V488	H402-E490 IonicContact CD2-OE2 2.87Å; H402-E490 IonicContact CE1-OE2 3.33Å; H402-E490 IonicContact NE2-OE1 3.7Å; H402-E490 IonicContact NE2-OE2 2.86Å; H402-E490 PolarHBondContact NE2-OE2 2.87Å; K406-E490 WeakPolarHBondContact CE-OE1 3.44Å; K406-E490 IonicContact NZ-OE1 3.02Å; K406-E490 PolarHBondContact NZ-OE1 3.1Å; L455-E490 WeakPolarHBondContact CB-O 3.35Å; L455-E490 WeakPolarHBondContact CD1-O 3.28Å; L455-E490 PolarHBondContact N-O 3.24Å; R456-E490 IonicContact CZ-OE2 3.52Å; R456-E490 IonicContact NE-OE2 2.81Å; R456-E490 PolarHBondContact NE-OE2 2.83Å; R456-E490 IonicContact NH2-OE2 2.72Å; R456-E490 PolarHBondContact NH2-OE2 3.37Å; V488-E490 PolarHBondContact O-N 2.9Å
491	E	96.8	Very high	96.2	Very high	65 Å²	65	34.9 Å²	34.9	30%	0.304	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.8	-179	-56	-169.5	134.4	0	0	112.5	M453 L455 V488 W493	M453-E491 WeakPolarHBondContact O-CA 3.47Å; L455-E491 VanDerWaalsContact CD1-C 3.49Å; V488-E491 PolarHBondContact N-O 3.39Å; V488-E491 PolarHBondContact O-N 3.33Å; E491-W493 PolarHBondContact OE2-NE1 3.46Å
492	L	97.2	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.8	162.5	173.7	64.2	0	0	0	108.3	L409 V413 M453 L455 L464 V468 V494	L409-L492 HydrophobicContact CD2-CB 4.18Å; L409-L492 HydrophobicContact CD2-CD1 4.29Å; L409-L492 HydrophobicContact CD2-CD2 4.33Å; V413-L492 HydrophobicContact CG1-CD1 3.6Å; M453-L492 HydrophobicContact CB-CB 4.43Å; M453-L492 HydrophobicContact CE-CB 4.39Å; M453-L492 HydrophobicContact CE-CD2 3.72Å; M453-L492 HydrophobicContact CE-CG 3.88Å; M453-L492 PolarHBondContact N-O 3.48Å; M453-L492 PolarHBondContact O-N 2.99Å; L455-L492 HydrophobicContact CD1-CB 3.98Å; L464-L492 HydrophobicContact CB-CD2 3.91Å; L464-L492 HydrophobicContact CD2-CD2 4.29Å; V468-L492 HydrophobicContact CG2-CD1 3.9Å; V468-L492 HydrophobicContact CG2-CD2 3.91Å; V468-L492 HydrophobicContact CG2-CG 4.48Å; L492-V494 HydrophobicContact CD2-CG2 4.35Å; L492-V494 HydrophobicContact CG-CG2 4.24Å
493	W	97.9	Very high	96.1	Very high	17 Å²	17	31.4 Å²	31.4	6%	0.064	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.9	173	-74.3	26	0	0	0	109.2	P418 R419 F425 V450 K451 M452 S485 A486 V488 E491 I495	P418-W493 HydrophobicContact CB-CE3 4.12Å; P418-W493 HydrophobicContact CB-CZ3 4.37Å; P418-W493 HydrophobicContact CG-CD2 4.19Å; P418-W493 HydrophobicContact CG-CE3 3.37Å; P418-W493 HydrophobicContact CG-CZ3 3.79Å; R419-W493 HydrophobicContact CG-CH2 3.66Å; R419-W493 HydrophobicContact CG-CZ3 3.89Å; F425-W493 HydrophobicContact CE1-CE3 4.47Å; F425-W493 AromaticContact CE1-CH2 4Å; F425-W493 HydrophobicContact CE1-CH2 4Å; F425-W493 AromaticContact CE1-CZ3 3.62Å; F425-W493 HydrophobicContact CE1-CZ3 3.62Å; F425-W493 AromaticContact CZ-CH2 3.98Å; F425-W493 HydrophobicContact CZ-CH2 3.98Å; F425-W493 AromaticContact CZ-CZ3 3.59Å; F425-W493 HydrophobicContact CZ-CZ3 3.59Å; V450-W493 HydrophobicContact CG1-CB 4.23Å; V450-W493 HydrophobicContact CG1-CD2 4.02Å; V450-W493 HydrophobicContact CG1-CE3 3.72Å; V450-W493 HydrophobicContact CG1-CG 4.26Å; V450-W493 HydrophobicContact CG1-CZ3 4.43Å; K451-W493 WeakPolarHBondContact O-CA 3.3Å; M452-W493 HydrophobicContact CE-CD2 4.13Å; M452-W493 HydrophobicContact CE-CE3 4.1Å; M452-W493 HydrophobicContact CE-CH2 3.61Å; M452-W493 HydrophobicContact CE-CZ2 3.6Å; M452-W493 HydrophobicContact CE-CZ3 3.87Å; M452-W493 HydrophobicContact CG-CD2 4.09Å; M452-W493 HydrophobicContact CG-CG 4.15Å; M452-W493 HydrophobicContact CG-CZ2 4.38Å; M452-W493 HydrophobicContact SD-CZ2 3.95Å; S485-W493 CarbonylContact C-O 3.54Å; S485-W493 WeakPolarHBondContact CA-O 3.27Å; A486-W493 PolarHBondContact N-O 2.88Å; A486-W493 PolarHBondContact O-N 3.01Å; V488-W493 HydrophobicContact CB-CD2 4.12Å; V488-W493 HydrophobicContact CB-CG 4.2Å; V488-W493 HydrophobicContact CB-CZ2 4.4Å; V488-W493 HydrophobicContact CG1-CZ2 4.12Å; V488-W493 HydrophobicContact CG2-CB 4.23Å; V488-W493 HydrophobicContact CG2-CD2 3.57Å; V488-W493 HydrophobicContact CG2-CE3 3.96Å; V488-W493 HydrophobicContact CG2-CG 3.7Å; V488-W493 HydrophobicContact CG2-CZ2 4.46Å; E491-W493 PolarHBondContact OE2-NE1 3.46Å; W493-I495 HydrophobicContact CB-CD1 4.4Å
494	V	97.3	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.3	171.8	173.8	0	0	0	0	108.4	V450 K451 M453 E467 V468 M471 M482 L492	V450-V494 CarbonylContact C-O 3.55Å; V450-V494 WeakPolarHBondContact CA-O 3.45Å; K451-V494 HydrophobicContact CB-CB 4.43Å; K451-V494 PolarHBondContact N-O 2.85Å; K451-V494 PolarHBondContact O-N 2.77Å; M453-V494 HydrophobicContact CE-CB 4.3Å; M453-V494 HydrophobicContact CE-CG2 3.68Å; E467-V494 HydrophobicContact CB-CG2 4.15Å; V468-V494 HydrophobicContact CG2-CG2 4.32Å; M471-V494 HydrophobicContact SD-CG1 4.3Å; M482-V494 HydrophobicContact CG-CG1 3.87Å; M482-V494 HydrophobicContact SD-CG1 3.84Å; L492-V494 HydrophobicContact CD2-CG2 4.35Å; L492-V494 HydrophobicContact CG-CG2 4.24Å
495	I	97.4	Very high	96.1	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.8	-176.9	-56	82.4	0	0	0	107.8	P418 L422 V448 A449 V450 F483 K484 W493	P418-I495 HydrophobicContact CB-CD1 4.45Å; L422-I495 HydrophobicContact CD1-CG1 4.16Å; L422-I495 HydrophobicContact CD1-CG2 4.45Å; V448-I495 HydrophobicContact CB-CG2 4.02Å; V448-I495 HydrophobicContact CG1-CG2 4.48Å; V448-I495 HydrophobicContact CG2-CG2 3.83Å; A449-I495 WeakPolarHBondContact O-CA 3.38Å; V450-I495 HydrophobicContact CG1-CG1 4.44Å; V450-I495 HydrophobicContact CG2-CG1 4.31Å; V450-I495 HydrophobicContact CG2-CG2 4.5Å; F483-I495 HydrophobicContact CD2-CG2 4.47Å; F483-I495 PolarHBondContact N-O 3.11Å; K484-I495 HydrophobicContact CB-CB 4.38Å; K484-I495 HydrophobicContact CB-CD1 4.27Å; K484-I495 PolarHBondContact N-O 3.12Å; K484-I495 VanDerWaalsContact N-O 3.15Å; K484-I495 PolarHBondContact O-N 3.25Å; W493-I495 HydrophobicContact CB-CD1 4.4Å
496	M	96.8	Very high	95.8	Very high	20 Å²	20	27.9 Å²	27.9	10%	0.099	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	169.1	-170	63.6	-163.7	176.4	0	0	111.8	V436 A449 K451 M471 V480 E481	V436-M496 HydrophobicContact CG1-CE 4.08Å; A449-M496 HydrophobicContact CB-CE 3.76Å; A449-M496 HydrophobicContact CB-CG 3.8Å; A449-M496 PolarHBondContact N-O 3.38Å; A449-M496 PolarHBondContact O-N 3.34Å; K451-M496 HydrophobicContact CB-CE 4.08Å; M471-M496 HydrophobicContact CE-CB 4.41Å; M471-M496 HydrophobicContact CE-SD 4.38Å; V480-M496 HydrophobicContact CG1-CB 3.96Å; V480-M496 HydrophobicContact CG1-CG 4.17Å; V480-M496 HydrophobicContact CG1-SD 4.1Å; E481-M496 CarbonylContact O-C 3.31Å; E481-M496 WeakPolarHBondContact O-CA 3.37Å; E481-M496 VanDerWaalsContact O-CB 3.27Å; E481-M496 WeakPolarHBondContact O-CB 3.43Å
497	E	96.3	Very high	95.5	Very high	29 Å²	29	27.8 Å²	27.8	14%	0.136	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	142.8	175	71.5	-174.3	126.3	0	0	111.9	V480 E481 F483 L499 K556	V480-E497 WeakPolarHBondContact CA-OE1 3.45Å; V480-E497 HydrophobicContact CG1-CG 4.11Å; E481-E497 HydrophobicContact CB-CG 4.47Å; E481-E497 PolarHBondContact N-OE1 3.01Å; E481-E497 PolarHBondContact O-N 3.13Å; F483-E497 HydrophobicContact CE1-CB 4.5Å; F483-E497 HydrophobicContact CE2-CB 4.17Å; F483-E497 HydrophobicContact CZ-CB 3.73Å; E497-L499 HydrophobicContact CG-CD2 4.11Å; E497-L499 HydrophobicContact CG-CG 4.09Å; E497-K556 VanDerWaalsContact OE1-CD 3.3Å; E497-K556 WeakPolarHBondContact OE1-CD 3.18Å; E497-K556 WeakPolarHBondContact OE1-CE 3.38Å; E497-K556 IonicContact OE1-NZ 2.6Å; E497-K556 PolarHBondContact OE1-NZ 3.43Å; E497-K556 IonicContact OE2-NZ 2.74Å; E497-K556 PolarHBondContact OE2-NZ 2.67Å
498	Y	96.8	Very high	95.3	Very high	53 Å²	53	27 Å²	27	21%	0.208	14%	0.137	C	C	.	.			trans	-94.2	113.9	175.1	175.5	-128.1	0	0	0	110.9	I428 I438 Q447 A449 Q500	I428-Y498 HydrophobicContact CD1-CD2 4.03Å; I428-Y498 HydrophobicContact CD1-CE2 3.72Å; I438-Y498 HydrophobicContact CD1-CD1 3.44Å; I438-Y498 VanDerWaalsContact CD1-CD1 3.44Å; I438-Y498 HydrophobicContact CD1-CD2 4.49Å; I438-Y498 HydrophobicContact CD1-CE1 3.29Å; I438-Y498 HydrophobicContact CD1-CE2 4.39Å; I438-Y498 HydrophobicContact CD1-CG 4.08Å; I438-Y498 HydrophobicContact CG1-CD1 3.98Å; I438-Y498 HydrophobicContact CG1-CD2 4.44Å; I438-Y498 HydrophobicContact CG1-CE1 4.2Å; I438-Y498 HydrophobicContact CG1-CG 4.13Å; Q447-Y498 HydrophobicContact CB-CD1 4.08Å; A449-Y498 HydrophobicContact CB-CD2 4.45Å; Y498-Q500 HydrophobicContact CD1-CG 3.66Å; Y498-Q500 HydrophobicContact CE1-CB 4.01Å; Y498-Q500 HydrophobicContact CE1-CG 3.48Å; Y498-Q500 VanDerWaalsContact CE1-CG 3.48Å; Y498-Q500 HydrophobicContact CG-CG 4.49Å; Y498-Q500 VanDerWaalsContact O-CD 3.29Å; Y498-Q500 PolarHBondContact O-NE2 2.86Å
499	L	96	Very high	94.8	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.058	16%	0.159	C	C	.	.			trans	-95	101	-178.6	-64.9	178.5	0	0	0	110.6	V480 E497 G501 G502 L548 L549 T550 K556	V480-L499 HydrophobicContact CG2-CD1 3.8Å; E497-L499 HydrophobicContact CG-CD2 4.11Å; E497-L499 HydrophobicContact CG-CG 4.09Å; L499-G501 VanDerWaalsContact C-N 3.26Å; L499-G501 PolarHBondContact O-N 2.89Å; L499-G502 PolarHBondContact O-N 2.77Å; L499-G502 VanDerWaalsContact O-N 3.15Å; L499-L548 HydrophobicContact CB-CB 4.13Å; L499-L548 HydrophobicContact CD1-CB 3.43Å; L499-L548 VanDerWaalsContact CD1-CB 3.43Å; L499-L548 HydrophobicContact CD1-CD1 4.06Å; L499-L548 HydrophobicContact CD1-CG 4.39Å; L499-L548 HydrophobicContact CG-CB 4.41Å; L499-L549 CarbonylContact C-O 3.45Å; L499-T550 HydrophobicContact CD2-CG2 3.53Å; L499-K556 HydrophobicContact CD1-CB 3.89Å; L499-K556 HydrophobicContact CD1-CD 4.08Å; L499-K556 HydrophobicContact CD1-CG 4.48Å; L499-K556 HydrophobicContact CD2-CD 4.29Å
500	Q	93.9	Very high	94.3	Very high	61 Å²	61	29.6 Å²	29.6	29%	0.285	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.2	-165	-38.7	83.7	-10.9	0	0	114.1	Y498 G502 L551 R690	Y498-Q500 HydrophobicContact CD1-CG 3.66Å; Y498-Q500 HydrophobicContact CE1-CB 4.01Å; Y498-Q500 HydrophobicContact CE1-CG 3.48Å; Y498-Q500 VanDerWaalsContact CE1-CG 3.48Å; Y498-Q500 HydrophobicContact CG-CG 4.49Å; Y498-Q500 VanDerWaalsContact O-CD 3.29Å; Y498-Q500 PolarHBondContact O-NE2 2.86Å; Q500-G502 VanDerWaalsContact C-N 3.34Å; Q500-L551 HydrophobicContact CB-CD1 4.2Å; Q500-L551 HydrophobicContact CB-CD2 3.88Å; Q500-L551 HydrophobicContact CB-CG 3.91Å; Q500-R690 PolarHBondContact O-NH1 2.96Å
501	G	93.6	Very high	94	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.2	167.7	0	0	0	0	0	113.3	L499 L549	L499-G501 VanDerWaalsContact C-N 3.26Å; L499-G501 PolarHBondContact O-N 2.89Å; G501-L549 WeakPolarHBondContact CA-O 3.47Å; G501-L549 PolarHBondContact N-O 3.47Å
502	G	93.8	Very high	93.5	Very high	20 Å²	20	32.2 Å²	32.2	21%	0.206	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.6	-165.4	-178.7	0	0	0	0	0	113.3	L499 Q500 L548 L549	L499-G502 PolarHBondContact O-N 2.77Å; L499-G502 VanDerWaalsContact O-N 3.15Å; Q500-G502 VanDerWaalsContact C-N 3.34Å; G502-L548 WeakPolarHBondContact O-CA 3.47Å; G502-L549 PolarHBondContact O-N 3.31Å
503	A	94.9	Very high	93.4	Very high	17 Å²	17	33.1 Å²	33.1	14%	0.14	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	148.2	178.9	0	0	0	0	0	112.5	T505 N506 I547 L548	A503-T505 PolarHBondContact O-N 3.15Å; A503-N506 WeakPolarHBondContact O-CB 3.49Å; A503-N506 PolarHBondContact O-N 2.72Å; A503-N506 VanDerWaalsContact O-N 3.11Å; A503-I547 CarbonylContact C-O 3.54Å; A503-I547 WeakPolarHBondContact CA-O 3.27Å; A503-L548 HydrophobicContact CB-CD2 3.75Å
504	L	96.4	Very high	93.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.3	179.7	-179.1	63.6	0	0	0	112.5	N506 I507 V508 L513 V521 S544 I547 L549 M605 M609	L504-N506 PolarHBondContact O-N 3.3Å; L504-I507 PolarHBondContact O-N 3.26Å; L504-V508 HydrophobicContact CD1-CG1 4.03Å; L504-V508 HydrophobicContact CG-CG1 3.95Å; L504-V508 PolarHBondContact O-N 3.32Å; L504-L513 HydrophobicContact CD1-CD1 4.46Å; L504-V521 HydrophobicContact CD2-CG1 3.89Å; L504-S544 PolarHBondContact N-O 3.14Å; L504-I547 HydrophobicContact CB-CB 3.99Å; L504-I547 HydrophobicContact CB-CG2 4.2Å; L504-I547 HydrophobicContact CD2-CB 4.14Å; L504-I547 HydrophobicContact CD2-CG1 4.49Å; L504-I547 HydrophobicContact CD2-CG2 4.11Å; L504-I547 PolarHBondContact N-O 3.03Å; L504-L549 HydrophobicContact CD1-CD1 4.48Å; L504-M605 HydrophobicContact CD2-CE 4.42Å; L504-M605 HydrophobicContact CD2-SD 4.47Å; L504-M609 HydrophobicContact CD2-CG 4.3Å; L504-M609 HydrophobicContact CD2-SD 4.05Å
505	T	94.4	Very high	93.3	Very high	20 Å²	20	36.5 Å²	36.5	12%	0.123	19%	0.19	C	C	.	.	H	α-helix	trans	-49.8	-40.9	174.3	-39.3	0	0	0	0	112.5	A503 I507 S509 S544 D545	A503-T505 PolarHBondContact O-N 3.15Å; T505-I507 PolarHBondContact O-N 3.32Å; T505-S509 WeakPolarHBondContact O-CB 3.14Å; T505-S509 PolarHBondContact O-N 3.24Å; T505-S509 PolarHBondContact O-OG 3.23Å; T505-S544 WeakPolarHBondContact CA-OG 3.37Å; T505-S544 WeakPolarHBondContact CB-OG 3.44Å; T505-S544 PolarHBondContact OG1-O 2.75Å; T505-S544 PolarHBondContact OG1-OG 3.02Å; T505-D545 WeakPolarHBondContact OG1-CA 3.35Å; T505-D545 PolarHBondContact OG1-N 3.24Å
506	N	90.9	Very high	93.4	Very high	54 Å²	54	40.4 Å²	40.4	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-70.2	-12.5	-177.5	-60.4	-28.4	0	0	0	113.2	A503 L504 Y689	A503-N506 WeakPolarHBondContact O-CB 3.49Å; A503-N506 PolarHBondContact O-N 2.72Å; A503-N506 VanDerWaalsContact O-N 3.11Å; L504-N506 PolarHBondContact O-N 3.3Å; N506-Y689 HydrophobicContact CB-CD2 3.97Å; N506-Y689 HydrophobicContact CB-CE1 4.2Å; N506-Y689 HydrophobicContact CB-CE2 3.62Å; N506-Y689 HydrophobicContact CB-CG 4.41Å; N506-Y689 PolarHBondContact ND2-OH 2.86Å; N506-Y689 VanDerWaalsContact ND2-OH 3.15Å
507	I	92.4	Very high	93.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-100.5	-54.5	176.5	-60.2	178.7	0	0	0	109.4	L504 T505 S509 E510 T511 L513 L549 L685 V686	L504-I507 PolarHBondContact O-N 3.26Å; T505-I507 PolarHBondContact O-N 3.32Å; I507-S509 VanDerWaalsContact C-N 3.27Å; I507-S509 PolarHBondContact O-N 2.94Å; I507-E510 CarbonylContact O-C 3.59Å; I507-E510 PolarHBondContact O-N 2.84Å; I507-T511 PolarHBondContact O-N 3.35Å; I507-L513 HydrophobicContact CG2-CD2 3.89Å; I507-L549 HydrophobicContact CD1-CD1 3.39Å; I507-L685 HydrophobicContact CD1-CB 3.99Å; I507-L685 HydrophobicContact CG2-CB 3.87Å; I507-L685 HydrophobicContact CG2-CD1 4.13Å; I507-L685 HydrophobicContact CG2-CD2 4.35Å; I507-L685 HydrophobicContact CG2-CG 4.36Å; I507-V686 HydrophobicContact CD1-CG2 4.15Å
508	V	92.8	Very high	93.5	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-29.7	-173.8	-60.1	0	0	0	0	113.5	L504 E510 L513 E608 M609 G612	L504-V508 HydrophobicContact CD1-CG1 4.03Å; L504-V508 HydrophobicContact CG-CG1 3.95Å; L504-V508 PolarHBondContact O-N 3.32Å; V508-E510 VanDerWaalsContact C-N 3.31Å; V508-E510 PolarHBondContact O-N 2.97Å; V508-L513 HydrophobicContact CG1-CD1 4.05Å; V508-L513 HydrophobicContact CG1-CG 4.4Å; V508-E608 HydrophobicContact CG2-CG 4.27Å; V508-M609 HydrophobicContact CG1-CB 4.42Å; V508-M609 HydrophobicContact CG1-CG 3.84Å; V508-G612 WeakPolarHBondContact O-CA 3.45Å
509	S	86.9	Confident	93.6	Very high	72 Å²	72	37 Å²	37	50%	0.503	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.3	176.8	57.8	0	0	0	0	114.2	T505 I507	T505-S509 WeakPolarHBondContact O-CB 3.14Å; T505-S509 PolarHBondContact O-N 3.24Å; T505-S509 PolarHBondContact O-OG 3.23Å; I507-S509 VanDerWaalsContact C-N 3.27Å; I507-S509 PolarHBondContact O-N 2.94Å
510	E	83.3	Confident	93.7	Very high	112 Å²	112	36.9 Å²	36.9	52%	0.523	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-8	-177.5	-59	-168.4	-173.4	0	0	114.2	I507 V508 R692	I507-E510 CarbonylContact O-C 3.59Å; I507-E510 PolarHBondContact O-N 2.84Å; V508-E510 VanDerWaalsContact C-N 3.31Å; V508-E510 PolarHBondContact O-N 2.97Å; E510-R692 VanDerWaalsContact CB-NH1 3.35Å; E510-R692 WeakPolarHBondContact OE2-CD 3.45Å; E510-R692 IonicContact OE2-CZ 3.19Å; E510-R692 IonicContact OE2-NE 3.47Å; E510-R692 PolarHBondContact OE2-NE 2.86Å; E510-R692 IonicContact OE2-NH1 2.6Å; E510-R692 PolarHBondContact OE2-NH1 2.87Å
511	T	87.5	Confident	94	Very high	24 Å²	24	34 Å²	34	15%	0.147	18%	0.181	C	C	.	.	S	Bend	trans	-155.5	124.2	-170.8	-57.7	0	0	0	0	110.6	I507 L685 R692	I507-T511 PolarHBondContact O-N 3.35Å; T511-L685 HydrophobicContact CG2-CD2 3.76Å; T511-R692 PolarHBondContact OG1-NH2 3.37Å
512	R	87.1	Confident	94.2	Very high	150 Å²	150	34 Å²	34	57%	0.566	18%	0.181	S	C	*	.	P	Polyproline II helix	trans	-71.3	135.4	174.8	-75.7	-175.8	158.4	-141.6	-14.7	110.7
513	L	94.8	Very high	94.5	Very high	20 Å²	20	36 Å²	36	11%	0.105	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-85.3	148.4	175.6	-56.4	-173.4	0	0	0	111.2	L504 I507 V508 Q517 I518 M609 L685	L504-L513 HydrophobicContact CD1-CD1 4.46Å; I507-L513 HydrophobicContact CG2-CD2 3.89Å; V508-L513 HydrophobicContact CG1-CD1 4.05Å; V508-L513 HydrophobicContact CG1-CG 4.4Å; L513-Q517 HydrophobicContact CB-CB 4.19Å; L513-I518 HydrophobicContact CB-CD1 4.18Å; L513-I518 HydrophobicContact CB-CG1 3.67Å; L513-I518 HydrophobicContact CD1-CG1 4.13Å; L513-M609 HydrophobicContact CD1-CB 4.05Å; L513-M609 HydrophobicContact CD1-CG 3.77Å; L513-M609 HydrophobicContact CD1-SD 3.79Å; L513-L685 HydrophobicContact CD2-CD1 3.44Å; L513-L685 VanDerWaalsContact CD2-CD1 3.44Å; L513-L685 HydrophobicContact CD2-CD2 4.34Å
514	S	96.3	Very high	94.6	Very high	48 Å²	48	35.6 Å²	35.6	34%	0.336	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-75.5	161.1	164.6	71.5	0	0	0	0	111	E516 Q517 I518	S514-E516 PolarHBondContact O-N 3.48Å; S514-Q517 PolarHBondContact O-N 3.48Å; S514-Q517 VanDerWaalsContact O-N 3.08Å; S514-Q517 VanDerWaalsContact OG-CG 3.32Å; S514-Q517 WeakPolarHBondContact OG-CG 3.47Å; S514-Q517 PolarHBondContact OG-N 2.99Å; S514-Q517 PolarHBondContact OG-OE1 3.32Å; S514-I518 WeakPolarHBondContact O-CG1 3.22Å; S514-I518 PolarHBondContact O-N 3.14Å
515	E	97.6	Very high	94.8	Very high	39 Å²	39	35.6 Å²	35.6	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-29.9	176.8	-66.4	-160.8	-167.9	0	0	113.3	I518 A519 S643 L646 F672 Q675	E515-I518 PolarHBondContact O-N 2.81Å; E515-A519 VanDerWaalsContact O-CB 3.28Å; E515-A519 WeakPolarHBondContact O-CB 3.21Å; E515-A519 PolarHBondContact O-N 3.15Å; E515-S643 VanDerWaalsContact OE1-CB 3.29Å; E515-S643 WeakPolarHBondContact OE1-CB 3.36Å; E515-S643 PolarHBondContact OE1-N 3.1Å; E515-S643 PolarHBondContact OE1-OG 2.91Å; E515-S643 VanDerWaalsContact OE2-CB 3.3Å; E515-S643 WeakPolarHBondContact OE2-CB 3.47Å; E515-S643 PolarHBondContact OE2-OG 2.99Å; E515-L646 HydrophobicContact CG-CD2 3.85Å; E515-F672 HydrophobicContact CB-CE2 4.16Å; E515-Q675 PolarHBondContact OE2-NE2 2.99Å
516	E	98	Very high	95	Very high	87 Å²	87	34.7 Å²	34.7	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-59.3	-48.4	169.8	178.6	-165.4	-179.4	0	0	111.3	S514 A519 T520 Q675 C681	S514-E516 PolarHBondContact O-N 3.48Å; E516-A519 PolarHBondContact O-N 3.44Å; E516-T520 WeakPolarHBondContact O-CB 3.31Å; E516-T520 PolarHBondContact O-N 2.87Å; E516-T520 PolarHBondContact O-OG1 3.43Å; E516-Q675 WeakPolarHBondContact CA-O 3.47Å; E516-C681 HydrophobicContact CG-CB 4.5Å; E516-C681 WeakPolarHBondContact OE1-CB 3.21Å
517	Q	98.2	Very high	95.3	Very high	28 Å²	28	34.1 Å²	34.1	13%	0.131	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-39	179.8	-69.9	167.6	-24.7	0	0	111.3	L513 S514 T520 V521 C681 L682 L685	L513-Q517 HydrophobicContact CB-CB 4.19Å; S514-Q517 PolarHBondContact O-N 3.48Å; S514-Q517 VanDerWaalsContact O-N 3.08Å; S514-Q517 VanDerWaalsContact OG-CG 3.32Å; S514-Q517 WeakPolarHBondContact OG-CG 3.47Å; S514-Q517 PolarHBondContact OG-N 2.99Å; S514-Q517 PolarHBondContact OG-OE1 3.32Å; Q517-T520 PolarHBondContact O-N 3.4Å; Q517-V521 WeakPolarHBondContact O-CG2 3.49Å; Q517-V521 PolarHBondContact O-N 2.81Å; Q517-C681 HydrophobicContact CG-CB 4.39Å; Q517-C681 PolarHBondContact NE2-O 3.01Å; Q517-L682 HydrophobicContact CB-CD2 3.73Å; Q517-L682 HydrophobicContact CG-CD2 3.94Å; Q517-L685 HydrophobicContact CG-CD1 4.38Å
518	I	98.4	Very high	95.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-45.8	173.1	-64.7	172.6	0	0	0	110.3	L513 S514 E515 T520 V521 C522 M609 V610 F672	L513-I518 HydrophobicContact CB-CD1 4.18Å; L513-I518 HydrophobicContact CB-CG1 3.67Å; L513-I518 HydrophobicContact CD1-CG1 4.13Å; S514-I518 WeakPolarHBondContact O-CG1 3.22Å; S514-I518 PolarHBondContact O-N 3.14Å; E515-I518 PolarHBondContact O-N 2.81Å; I518-T520 PolarHBondContact O-N 2.91Å; I518-V521 PolarHBondContact O-N 2.93Å; I518-C522 WeakPolarHBondContact O-CB 3.38Å; I518-C522 PolarHBondContact O-N 3.16Å; I518-C522 PolarHBondContact O-SG 2.81Å; I518-M609 HydrophobicContact CD1-CB 4.31Å; I518-M609 HydrophobicContact CG1-CB 4.14Å; I518-M609 HydrophobicContact CG1-SD 4.43Å; I518-M609 HydrophobicContact CG2-CE 4.06Å; I518-M609 HydrophobicContact CG2-SD 4.43Å; I518-V610 HydrophobicContact CD1-CG2 3.79Å; I518-F672 HydrophobicContact CB-CZ 4.11Å; I518-F672 HydrophobicContact CG2-CE1 4.04Å; I518-F672 HydrophobicContact CG2-CZ 3.72Å
519	A	98.7	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-42.9	176.9	0	0	0	0	0	112	E515 E516 V521 C522 E523 F672 L673 Q675	E515-A519 VanDerWaalsContact O-CB 3.28Å; E515-A519 WeakPolarHBondContact O-CB 3.21Å; E515-A519 PolarHBondContact O-N 3.15Å; E516-A519 PolarHBondContact O-N 3.44Å; A519-V521 PolarHBondContact O-N 2.89Å; A519-C522 PolarHBondContact O-N 3.28Å; A519-C522 VanDerWaalsContact O-N 3.12Å; A519-E523 WeakPolarHBondContact O-CB 3.3Å; A519-E523 PolarHBondContact O-N 3.25Å; A519-F672 HydrophobicContact CB-CD1 4.32Å; A519-F672 HydrophobicContact CB-CE1 3.77Å; A519-F672 HydrophobicContact CB-CZ 3.94Å; A519-L673 HydrophobicContact CB-CD2 4.33Å; A519-Q675 HydrophobicContact CB-CG 4.14Å
520	T	98.7	Very high	96.5	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.055	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-42.4	177.2	-49.8	0	0	0	0	112.2	E516 Q517 I518 A524 S676 G677 C681 L682	E516-T520 WeakPolarHBondContact O-CB 3.31Å; E516-T520 PolarHBondContact O-N 2.87Å; E516-T520 PolarHBondContact O-OG1 3.43Å; Q517-T520 PolarHBondContact O-N 3.4Å; I518-T520 PolarHBondContact O-N 2.91Å; T520-A524 PolarHBondContact O-N 3.09Å; T520-S676 WeakPolarHBondContact CA-OG 3.44Å; T520-G677 PolarHBondContact OG1-N 3.03Å; T520-C681 PolarHBondContact OG1-SG 3.43Å; T520-L682 HydrophobicContact CG2-CD1 3.94Å; T520-L682 HydrophobicContact CG2-CG 4.38Å
521	V	98.7	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.2	-42.9	172.4	173.1	0	0	0	0	110.9	L504 Q517 I518 A519 A524 V525 I547 V555 M605 M609 L682	L504-V521 HydrophobicContact CD2-CG1 3.89Å; Q517-V521 WeakPolarHBondContact O-CG2 3.49Å; Q517-V521 PolarHBondContact O-N 2.81Å; I518-V521 PolarHBondContact O-N 2.93Å; A519-V521 PolarHBondContact O-N 2.89Å; V521-A524 PolarHBondContact O-N 2.89Å; V521-V525 HydrophobicContact CG1-CG2 4.4Å; V521-V525 WeakPolarHBondContact O-CG2 3.36Å; V521-V525 PolarHBondContact O-N 2.83Å; V521-V525 VanDerWaalsContact O-N 3.11Å; V521-I547 HydrophobicContact CG1-CG2 4.49Å; V521-V555 HydrophobicContact CG2-CG2 4.14Å; V521-M605 HydrophobicContact CG1-CE 4.04Å; V521-M609 HydrophobicContact CB-SD 4.05Å; V521-M609 HydrophobicContact CG1-CE 4.24Å; V521-M609 HydrophobicContact CG1-SD 3.8Å; V521-M609 HydrophobicContact CG2-SD 4.5Å; V521-L682 HydrophobicContact CG2-CD1 3.92Å; V521-L682 HydrophobicContact CG2-CD2 4.14Å
522	C	98.8	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-46	-177.3	-70.2	0	0	0	0	112.9	I518 A519 A524 V525 L526 M602 F649 L673	I518-C522 WeakPolarHBondContact O-CB 3.38Å; I518-C522 PolarHBondContact O-N 3.16Å; I518-C522 PolarHBondContact O-SG 2.81Å; A519-C522 PolarHBondContact O-N 3.28Å; A519-C522 VanDerWaalsContact O-N 3.12Å; C522-A524 PolarHBondContact O-N 2.82Å; C522-V525 PolarHBondContact O-N 3.25Å; C522-L526 VanDerWaalsContact O-CB 3.22Å; C522-L526 WeakPolarHBondContact O-CB 3.24Å; C522-L526 WeakPolarHBondContact O-CG 3.44Å; C522-L526 PolarHBondContact O-N 2.99Å; C522-M602 HydrophobicContact CB-CE 3.94Å; C522-M602 VanDerWaalsContact SG-CE 3.6Å; C522-F649 HydrophobicContact CB-CE1 3.95Å; C522-F649 HydrophobicContact CB-CZ 4.01Å; C522-L673 HydrophobicContact CB-CD2 3.83Å
523	E	98.8	Very high	98.2	Very high	61 Å²	61	22.3 Å²	22.3	29%	0.285	11%	0.113	S	C	.	.	H	α-helix	trans	-57.8	-49	177.8	-167.7	-155	146.8	0	0	110.8	A519 V525 L526 Q527 L668 L673 S676	A519-E523 WeakPolarHBondContact O-CB 3.3Å; A519-E523 PolarHBondContact O-N 3.25Å; E523-V525 PolarHBondContact O-N 2.65Å; E523-L526 PolarHBondContact O-N 2.83Å; E523-Q527 WeakPolarHBondContact O-CB 3.34Å; E523-Q527 VanDerWaalsContact O-CG 3.25Å; E523-Q527 WeakPolarHBondContact O-CG 3.18Å; E523-Q527 PolarHBondContact O-N 3.36Å; E523-Q527 PolarHBondContact OE1-NE2 2.89Å; E523-L668 HydrophobicContact CG-CD2 4.39Å; E523-L673 HydrophobicContact CB-CD1 4.34Å; E523-L673 HydrophobicContact CB-CD2 4.28Å; E523-L673 HydrophobicContact CG-CD1 4.44Å; E523-S676 VanDerWaalsContact OE2-CB 3.24Å; E523-S676 WeakPolarHBondContact OE2-CB 3.19Å; E523-S676 PolarHBondContact OE2-OG 3.12Å
524	A	98.7	Very high	98.4	Very high	10 Å²	10	25.1 Å²	25.1	8%	0.083	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-43.4	-179.1	0	0	0	0	0	113.3	N478 T520 V521 C522 A528 V555	N478-A524 WeakPolarHBondContact CB-O 3.33Å; N478-A524 WeakPolarHBondContact ND2-CB 3.21Å; T520-A524 PolarHBondContact O-N 3.09Å; V521-A524 PolarHBondContact O-N 2.89Å; C522-A524 PolarHBondContact O-N 2.82Å; A524-A528 PolarHBondContact O-N 2.87Å; A524-V555 HydrophobicContact CB-CB 3.64Å; A524-V555 HydrophobicContact CB-CG1 3.89Å; A524-V555 HydrophobicContact CB-CG2 4.33Å
525	V	98.8	Very high	98.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-73.2	-38.3	178.6	179.2	0	0	0	0	111.1	V521 C522 E523 Q527 A528 L529 I547 V555 M602 M605	V521-V525 HydrophobicContact CG1-CG2 4.4Å; V521-V525 WeakPolarHBondContact O-CG2 3.36Å; V521-V525 PolarHBondContact O-N 2.83Å; V521-V525 VanDerWaalsContact O-N 3.11Å; C522-V525 PolarHBondContact O-N 3.25Å; E523-V525 PolarHBondContact O-N 2.65Å; V525-Q527 VanDerWaalsContact C-N 3.34Å; V525-Q527 PolarHBondContact O-N 3.17Å; V525-A528 PolarHBondContact O-N 3.25Å; V525-L529 HydrophobicContact CG1-CD1 4.13Å; V525-L529 HydrophobicContact CG1-CG 4.35Å; V525-L529 WeakPolarHBondContact O-CG 3.43Å; V525-L529 PolarHBondContact O-N 3.41Å; V525-I547 HydrophobicContact CG1-CD1 4.11Å; V525-I547 HydrophobicContact CG2-CD1 3.55Å; V525-I547 HydrophobicContact CG2-CG1 4.17Å; V525-I547 HydrophobicContact CG2-CG2 4.3Å; V525-V555 HydrophobicContact CG2-CG1 3.99Å; V525-M602 HydrophobicContact CB-CE 3.98Å; V525-M602 HydrophobicContact CB-SD 4.05Å; V525-M602 HydrophobicContact CG1-CE 4.18Å; V525-M602 HydrophobicContact CG1-SD 3.56Å; V525-M602 VanDerWaalsContact CG1-SD 3.56Å; V525-M605 HydrophobicContact CG2-CE 4.46Å
526	L	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-34.3	175	-73.7	169.1	0	0	0	112.4	C522 E523 L529 A530 F649 M653 A664 L667 L668 L673	C522-L526 VanDerWaalsContact O-CB 3.22Å; C522-L526 WeakPolarHBondContact O-CB 3.24Å; C522-L526 WeakPolarHBondContact O-CG 3.44Å; C522-L526 PolarHBondContact O-N 2.99Å; E523-L526 PolarHBondContact O-N 2.83Å; L526-L529 PolarHBondContact O-N 2.74Å; L526-A530 VanDerWaalsContact O-CB 3.26Å; L526-A530 WeakPolarHBondContact O-CB 3.44Å; L526-A530 PolarHBondContact O-N 3.11Å; L526-F649 HydrophobicContact CD1-CE2 4.16Å; L526-F649 HydrophobicContact CD1-CZ 3.73Å; L526-M653 HydrophobicContact CD1-CE 4.12Å; L526-M653 HydrophobicContact CD2-CE 4.36Å; L526-A664 HydrophobicContact CD2-CB 4.1Å; L526-L667 HydrophobicContact CD1-CB 3.76Å; L526-L667 HydrophobicContact CD2-CB 4.01Å; L526-L667 HydrophobicContact CD2-CD1 4.13Å; L526-L668 HydrophobicContact CB-CD2 3.59Å; L526-L668 HydrophobicContact CB-CG 3.95Å; L526-L673 HydrophobicContact CD1-CD1 4.08Å
527	Q	98.8	Very high	98.3	Very high	43 Å²	43	22 Å²	22	20%	0.201	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-40.3	172.3	-75	170.8	0.4	0	0	111.9	E523 V525 Y531 L668	E523-Q527 WeakPolarHBondContact O-CB 3.34Å; E523-Q527 VanDerWaalsContact O-CG 3.25Å; E523-Q527 WeakPolarHBondContact O-CG 3.18Å; E523-Q527 PolarHBondContact O-N 3.36Å; E523-Q527 PolarHBondContact OE1-NE2 2.89Å; V525-Q527 VanDerWaalsContact C-N 3.34Å; V525-Q527 PolarHBondContact O-N 3.17Å; Q527-Y531 WeakPolarHBondContact O-CB 3.46Å; Q527-Y531 PolarHBondContact O-N 3.18Å; Q527-L668 HydrophobicContact CG-CD1 4.22Å; Q527-L668 HydrophobicContact CG-CD2 3.75Å
528	A	98.6	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-45.1	172.1	0	0	0	0	0	112.3	N478 V479 A524 V525 Y531 L532 L557	N478-A528 HydrophobicContact CB-CB 4.1Å; V479-A528 HydrophobicContact CG2-CB 4.05Å; A524-A528 PolarHBondContact O-N 2.87Å; V525-A528 PolarHBondContact O-N 3.25Å; A528-Y531 PolarHBondContact O-N 3.2Å; A528-L532 VanDerWaalsContact O-CG 3.29Å; A528-L532 WeakPolarHBondContact O-CG 3.3Å; A528-L532 PolarHBondContact O-N 2.91Å; A528-L557 HydrophobicContact CB-CB 4.37Å; A528-L557 HydrophobicContact CB-CD2 4.28Å
529	L	98.8	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.2	-46.8	179.2	-73.5	176.4	0	0	0	112.1	V525 L526 Y531 L532 H533 H539 I542 D598 A664	V525-L529 HydrophobicContact CG1-CD1 4.13Å; V525-L529 HydrophobicContact CG1-CG 4.35Å; V525-L529 WeakPolarHBondContact O-CG 3.43Å; V525-L529 PolarHBondContact O-N 3.41Å; L526-L529 PolarHBondContact O-N 2.74Å; L529-Y531 VanDerWaalsContact C-N 3.3Å; L529-Y531 PolarHBondContact O-N 2.69Å; L529-L532 PolarHBondContact O-N 2.71Å; L529-H533 WeakPolarHBondContact O-CB 3.48Å; L529-H533 PolarHBondContact O-CD2 3.42Å; L529-H533 VanDerWaalsContact O-CD2 3.27Å; L529-H533 PolarHBondContact O-N 2.8Å; L529-H539 HydrophobicContact CD2-CB 4.4Å; L529-I542 HydrophobicContact CD2-CD1 3.91Å; L529-I542 HydrophobicContact CD2-CG1 4.22Å; L529-D598 HydrophobicContact CD1-CB 4.34Å; L529-D598 HydrophobicContact CD2-CB 3.85Å; L529-A664 HydrophobicContact CB-CB 3.9Å
530	A	98.8	Very high	98.2	Very high	17 Å²	17	21.1 Å²	21.1	14%	0.14	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-40.8	178	0	0	0	0	0	111.9	L526 S534 A664 L668	L526-A530 VanDerWaalsContact O-CB 3.26Å; L526-A530 WeakPolarHBondContact O-CB 3.44Å; L526-A530 PolarHBondContact O-N 3.11Å; A530-S534 WeakPolarHBondContact O-CB 3.44Å; A530-S534 PolarHBondContact O-N 3.21Å; A530-A664 HydrophobicContact CB-CB 4.06Å; A530-L668 HydrophobicContact CB-CD1 3.83Å
531	Y	98.6	Very high	98.1	Very high	70 Å²	70	21 Å²	21	28%	0.275	11%	0.113	S	C	.	.	H	α-helix	trans	-60.6	-54.7	172.3	171.1	-110.7	0	0	0	111.9	Q475 H476 Q527 A528 L529 H533 S534	Q475-Y531 PolarHBondContact N-OH 3Å; Q475-Y531 PolarHBondContact O-OH 2.76Å; H476-Y531 HydrophobicContact CB-CD1 3.67Å; H476-Y531 HydrophobicContact CB-CE1 3.88Å; H476-Y531 HydrophobicContact CB-CG 4.34Å; Q527-Y531 WeakPolarHBondContact O-CB 3.46Å; Q527-Y531 PolarHBondContact O-N 3.18Å; A528-Y531 PolarHBondContact O-N 3.2Å; L529-Y531 VanDerWaalsContact C-N 3.3Å; L529-Y531 PolarHBondContact O-N 2.69Å; Y531-H533 PolarHBondContact O-N 3.4Å; Y531-S534 WeakPolarHBondContact O-CB 3.33Å; Y531-S534 PolarHBondContact O-N 3.32Å; Y531-S534 PolarHBondContact O-OG 2.74Å
532	L	98.1	Very high	98.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-41.5	-179.5	-69.9	166.7	0	0	0	112.5	Y474 A528 L529 S534 Q535 G536 V537 L557 F560	Y474-L532 HydrophobicContact CG-CD2 4.32Å; A528-L532 VanDerWaalsContact O-CG 3.29Å; A528-L532 WeakPolarHBondContact O-CG 3.3Å; A528-L532 PolarHBondContact O-N 2.91Å; L529-L532 PolarHBondContact O-N 2.71Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.34Å; L532-Q535 CarbonylContact O-C 3.59Å; L532-Q535 PolarHBondContact O-N 3.44Å; L532-Q535 VanDerWaalsContact O-N 3.11Å; L532-G536 PolarHBondContact O-N 2.68Å; L532-V537 CarbonylContact C-O 3.59Å; L532-V537 HydrophobicContact CB-CB 4.19Å; L532-V537 HydrophobicContact CD2-CB 4.26Å; L532-V537 HydrophobicContact CD2-CG1 4.2Å; L532-V537 PolarHBondContact O-N 2.58Å; L532-L557 HydrophobicContact CD1-CD2 3.91Å; L532-F560 HydrophobicContact CD1-CE1 3.97Å
533	H	98.2	Very high	98	Very high	30 Å²	30	22.2 Å²	22.2	14%	0.139	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-37.4	178.8	-69.7	-172.1	0	0	0	111.7	L529 Y531 Q535 G536 V537 T595 D598	L529-H533 WeakPolarHBondContact O-CB 3.48Å; L529-H533 PolarHBondContact O-CD2 3.42Å; L529-H533 VanDerWaalsContact O-CD2 3.27Å; L529-H533 PolarHBondContact O-N 2.8Å; Y531-H533 PolarHBondContact O-N 3.4Å; H533-Q535 PolarHBondContact O-N 3.03Å; H533-G536 PolarHBondContact O-N 2.73Å; H533-V537 PolarHBondContact CD2-O 2.74Å; H533-T595 HydrophobicContact CB-CG2 3.88Å; H533-T595 PolarHBondContact CE1-O 2.79Å; H533-T595 VanDerWaalsContact CE1-O 3.24Å; H533-D598 IonicContact CD2-OD2 2.63Å; H533-D598 IonicContact CE1-OD2 2.97Å; H533-D598 IonicContact NE2-OD2 3.06Å; H533-D598 PolarHBondContact NE2-OD2 3.25Å
534	S	97.5	Very high	97.9	Very high	80 Å²	80	19.3 Å²	19.3	56%	0.559	10%	0.104	S	C	*	.	H	α-helix	trans	-60.4	-27	174.1	79.5	0	0	0	0	113.3	A530 Y531 L532	A530-S534 WeakPolarHBondContact O-CB 3.44Å; A530-S534 PolarHBondContact O-N 3.21Å; Y531-S534 WeakPolarHBondContact O-CB 3.33Å; Y531-S534 PolarHBondContact O-N 3.32Å; Y531-S534 PolarHBondContact O-OG 2.74Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.34Å
535	Q	96.6	Very high	97.7	Very high	95 Å²	95	21 Å²	21	44%	0.444	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	5.4	177.5	-52.8	-52.6	-59.1	0	0	113.1	Y474 L532 H533 V537	Y474-Q535 HydrophobicContact CD1-CB 4.07Å; Y474-Q535 HydrophobicContact CD1-CG 3.93Å; Y474-Q535 HydrophobicContact CE1-CB 3.47Å; Y474-Q535 VanDerWaalsContact CE1-CB 3.47Å; Y474-Q535 HydrophobicContact CE1-CG 3.69Å; L532-Q535 CarbonylContact O-C 3.59Å; L532-Q535 PolarHBondContact O-N 3.44Å; L532-Q535 VanDerWaalsContact O-N 3.11Å; H533-Q535 PolarHBondContact O-N 3.03Å; Q535-V537 VanDerWaalsContact C-N 3.32Å; Q535-V537 HydrophobicContact CB-CG2 4.45Å; Q535-V537 PolarHBondContact O-N 2.85Å
536	G	96.3	Very high	97.6	Very high	13 Å²	13	21 Å²	21	13%	0.134	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	24.4	-177.1	0	0	0	0	0	114	L532 H533 Q565 I566	L532-G536 PolarHBondContact O-N 2.68Å; H533-G536 PolarHBondContact O-N 2.73Å; G536-Q565 CarbonylContact O-C 3.6Å; G536-Q565 VanDerWaalsContact O-CA 3.3Å; G536-Q565 WeakPolarHBondContact O-CA 3.47Å; G536-I566 WeakPolarHBondContact O-CG1 3.29Å; G536-I566 PolarHBondContact O-N 2.94Å
537	V	97.5	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.2	173.2	-178.5	0	0	0	0	109.5	I470 Y474 L532 H533 Q535 C563	I470-V537 HydrophobicContact CD1-CG1 4.14Å; I470-V537 HydrophobicContact CD1-CG2 4.28Å; I470-V537 HydrophobicContact CG2-CG1 4.26Å; Y474-V537 HydrophobicContact CD2-CG2 4.06Å; Y474-V537 HydrophobicContact CE1-CG2 4.27Å; Y474-V537 HydrophobicContact CE2-CG2 3.59Å; L532-V537 CarbonylContact C-O 3.59Å; L532-V537 HydrophobicContact CB-CB 4.19Å; L532-V537 HydrophobicContact CD2-CB 4.26Å; L532-V537 HydrophobicContact CD2-CG1 4.2Å; L532-V537 PolarHBondContact O-N 2.58Å; H533-V537 PolarHBondContact CD2-O 2.74Å; Q535-V537 VanDerWaalsContact C-N 3.32Å; Q535-V537 HydrophobicContact CB-CG2 4.45Å; Q535-V537 PolarHBondContact O-N 2.85Å; V537-C563 HydrophobicContact CG1-CB 4.33Å
538	I	98	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.4	173.1	-44.3	165.1	0	0	0	107.8	R540 C563 A564 I566 R573 G594 T595 V597 D598	I538-R540 HydrophobicContact CB-CG 4.08Å; I538-R540 HydrophobicContact CG2-CG 3.45Å; I538-R540 VanDerWaalsContact CG2-CG 3.45Å; I538-C563 CarbonylContact O-C 3.6Å; I538-C563 WeakPolarHBondContact O-CA 3.21Å; I538-A564 PolarHBondContact N-O 2.85Å; I538-A564 PolarHBondContact O-N 2.98Å; I538-I566 HydrophobicContact CD1-CD1 4.44Å; I538-I566 HydrophobicContact CD1-CG1 4.39Å; I538-I566 HydrophobicContact CD1-CG2 3.72Å; I538-I566 HydrophobicContact CG1-CG1 4.44Å; I538-R573 HydrophobicContact CD1-CG 4.17Å; I538-G594 VanDerWaalsContact CD1-C 3.5Å; I538-G594 WeakPolarHBondContact CD1-O 3.36Å; I538-G594 WeakPolarHBondContact CG2-O 3.11Å; I538-T595 HydrophobicContact CG1-CG2 3.94Å; I538-V597 HydrophobicContact CG2-CG2 3.57Å; I538-D598 WeakPolarHBondContact CG2-OD2 3.42Å
539	H	97.9	Very high	97.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.111	C	C	.	.			trans	-77.5	-50.6	-176.5	-164.8	-104.2	0	0	0	113.1	L529 D541 I542 S558 F560 F562 C563 D598	L529-H539 HydrophobicContact CD2-CB 4.4Å; H539-D541 PolarHBondContact O-N 2.86Å; H539-I542 HydrophobicContact CB-CD1 3.98Å; H539-I542 HydrophobicContact CB-CG1 4.13Å; H539-I542 WeakPolarHBondContact ND1-CD1 3.43Å; H539-S558 PolarHBondContact CE1-O 3.45Å; H539-S558 VanDerWaalsContact CE1-O 3.24Å; H539-S558 PolarHBondContact NE2-O 2.91Å; H539-S558 VanDerWaalsContact NE2-O 3.17Å; H539-F560 AromaticContact CD2-CD1 3.68Å; H539-F560 AromaticContact CD2-CE1 3.77Å; H539-F560 AromaticContact NE2-CD1 3.75Å; H539-F560 AromaticContact NE2-CE1 3.9Å; H539-F562 CarbonylContact O-C 3.46Å; H539-F562 VanDerWaalsContact O-C 3.31Å; H539-C563 VanDerWaalsContact CD2-SG 3.55Å; H539-C563 PolarHBondContact O-N 3.08Å; H539-D598 PolarHBondContact N-OD1 3.04Å; H539-D598 PolarHBondContact N-OD2 2.79Å
540	R	97.1	Very high	97.3	Very high	12 Å²	12	21 Å²	21	5%	0.045	11%	0.113	C	C	.	.			trans	65.7	5.2	177.9	-48.6	-174.4	-61.1	174.9	-2.4	117	I538 F562 C563 S575 G578 Y593 V597 D598	I538-R540 HydrophobicContact CB-CG 4.08Å; I538-R540 HydrophobicContact CG2-CG 3.45Å; I538-R540 VanDerWaalsContact CG2-CG 3.45Å; R540-F562 PolarHBondContact NE-O 2.95Å; R540-F562 PolarHBondContact NH2-O 3.32Å; R540-C563 PolarHBondContact NH2-O 3Å; R540-S575 PolarHBondContact NH1-OG 3.46Å; R540-G578 WeakPolarHBondContact O-CA 3.2Å; R540-Y593 WeakPolarHBondContact CD-OH 3.36Å; R540-Y593 HydrophobicContact CG-CE2 4.49Å; R540-Y593 PolarHBondContact NH1-OH 3.46Å; R540-V597 HydrophobicContact CG-CG2 4.29Å; R540-D598 WeakPolarHBondContact CA-OD1 3.43Å; R540-D598 PolarHBondContact N-OD1 2.9Å
541	D	96.1	Very high	97.1	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.037	13%	0.126	C	C	.	.			trans	-142.1	49.2	172.6	-144.8	32.3	0	0	0	112.9	H539 K543 S546 F562 T579	H539-D541 PolarHBondContact O-N 2.86Å; D541-K543 IonicContact OD1-NZ 2.8Å; D541-K543 VanDerWaalsContact OD2-CE 3.29Å; D541-K543 WeakPolarHBondContact OD2-CE 3.01Å; D541-K543 IonicContact OD2-NZ 3.21Å; D541-K543 PolarHBondContact OD2-NZ 2.85Å; D541-S546 WeakPolarHBondContact O-CB 3.35Å; D541-S546 PolarHBondContact O-OG 3.42Å; D541-F562 HydrophobicContact CB-CB 4.13Å; D541-F562 HydrophobicContact CB-CD2 3.89Å; D541-F562 HydrophobicContact CB-CG 4.49Å; D541-T579 VanDerWaalsContact OD1-CB 3.27Å; D541-T579 WeakPolarHBondContact OD1-CB 3.46Å; D541-T579 PolarHBondContact OD1-N 3.36Å; D541-T579 PolarHBondContact OD1-OG1 3.14Å; D541-T579 PolarHBondContact OD2-OG1 3.11Å
542	I	98.4	Very high	97	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.			trans	-77.4	125.1	171.1	-58.1	-65.3	0	0	0	109.6	L529 H539 L557 D598 M602 M605	L529-I542 HydrophobicContact CD2-CD1 3.91Å; L529-I542 HydrophobicContact CD2-CG1 4.22Å; H539-I542 HydrophobicContact CB-CD1 3.98Å; H539-I542 HydrophobicContact CB-CG1 4.13Å; H539-I542 WeakPolarHBondContact ND1-CD1 3.43Å; I542-L557 HydrophobicContact CD1-CD1 3.49Å; I542-L557 VanDerWaalsContact CD1-CD1 3.49Å; I542-L557 HydrophobicContact CD1-CD2 4.03Å; I542-L557 HydrophobicContact CD1-CG 4.44Å; I542-D598 HydrophobicContact CG1-CB 4.23Å; I542-M602 HydrophobicContact CG2-CB 4.35Å; I542-M602 HydrophobicContact CG2-SD 4.18Å; I542-M605 HydrophobicContact CG2-SD 4.29Å
543	K	97.3	Very high	96.9	Very high	24 Å²	24	24.1 Å²	24.1	10%	0.104	13%	0.132	C	C	.	.	S	Bend	trans	-175.1	167.3	-174.7	57.8	-172.7	175	-172	0	108.2	D541 D545 S546 T579 W582	D541-K543 IonicContact OD1-NZ 2.8Å; D541-K543 VanDerWaalsContact OD2-CE 3.29Å; D541-K543 WeakPolarHBondContact OD2-CE 3.01Å; D541-K543 IonicContact OD2-NZ 3.21Å; D541-K543 PolarHBondContact OD2-NZ 2.85Å; K543-D545 VanDerWaalsContact C-N 3.3Å; K543-D545 HydrophobicContact CD-CB 4.32Å; K543-D545 HydrophobicContact CG-CB 4.35Å; K543-D545 PolarHBondContact O-N 3.13Å; K543-S546 WeakPolarHBondContact CE-OG 3.42Å; K543-S546 WeakPolarHBondContact CG-OG 3.49Å; K543-S546 PolarHBondContact O-N 2.8Å; K543-S546 VanDerWaalsContact O-N 3.14Å; K543-T579 HydrophobicContact CD-CG2 4.47Å; K543-T579 PolarHBondContact NZ-OG1 2.66Å; K543-W582 HydrophobicContact CB-CD2 3.75Å; K543-W582 VanDerWaalsContact CB-CE2 3.47Å; K543-W582 HydrophobicContact CB-CE3 4.42Å; K543-W582 HydrophobicContact CB-CG 3.92Å; K543-W582 HydrophobicContact CB-CZ2 3.93Å
544	S	96.5	Very high	96.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.1	-180	72.2	0	0	0	0	114.9	L504 T505 S546 I547 E608	L504-S544 PolarHBondContact N-O 3.14Å; T505-S544 WeakPolarHBondContact CA-OG 3.37Å; T505-S544 WeakPolarHBondContact CB-OG 3.44Å; T505-S544 PolarHBondContact OG1-O 2.75Å; T505-S544 PolarHBondContact OG1-OG 3.02Å; S544-S546 PolarHBondContact O-N 3Å; S544-I547 PolarHBondContact O-N 3.41Å; S544-E608 WeakPolarHBondContact CB-OE1 3.47Å; S544-E608 PolarHBondContact N-OE2 2.99Å; S544-E608 PolarHBondContact OG-OE1 2.83Å
545	D	94.6	Very high	97	Very high	45 Å²	45	24.2 Å²	24.2	24%	0.241	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-64	-30.4	178.9	-53.3	-105.5	0	0	0	111.6	S99 T505 K543 I547	S99-D545 PolarHBondContact OG-OD1 2.77Å; T505-D545 WeakPolarHBondContact OG1-CA 3.35Å; T505-D545 PolarHBondContact OG1-N 3.24Å; K543-D545 VanDerWaalsContact C-N 3.3Å; K543-D545 HydrophobicContact CD-CB 4.32Å; K543-D545 HydrophobicContact CG-CB 4.35Å; K543-D545 PolarHBondContact O-N 3.13Å; D545-I547 VanDerWaalsContact C-N 3.32Å
546	S	96.7	Very high	97	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-86.5	1.3	-177.3	-47.3	0	0	0	0	113.4	D541 K543 S544 S558	D541-S546 WeakPolarHBondContact O-CB 3.35Å; D541-S546 PolarHBondContact O-OG 3.42Å; K543-S546 WeakPolarHBondContact CE-OG 3.42Å; K543-S546 WeakPolarHBondContact CG-OG 3.49Å; K543-S546 PolarHBondContact O-N 2.8Å; K543-S546 VanDerWaalsContact O-N 3.14Å; S544-S546 PolarHBondContact O-N 3Å; S546-S558 WeakPolarHBondContact CA-OG 3.33Å; S546-S558 PolarHBondContact O-N 3.25Å; S546-S558 PolarHBondContact O-OG 3.2Å
547	I	98.2	Very high	97.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.7	179.3	-56.3	-48.9	0	0	0	108.9	A503 L504 V521 V525 S544 D545 V555 L557 M605	A503-I547 CarbonylContact C-O 3.54Å; A503-I547 WeakPolarHBondContact CA-O 3.27Å; L504-I547 HydrophobicContact CB-CB 3.99Å; L504-I547 HydrophobicContact CB-CG2 4.2Å; L504-I547 HydrophobicContact CD2-CB 4.14Å; L504-I547 HydrophobicContact CD2-CG1 4.49Å; L504-I547 HydrophobicContact CD2-CG2 4.11Å; L504-I547 PolarHBondContact N-O 3.03Å; V521-I547 HydrophobicContact CG1-CG2 4.49Å; V525-I547 HydrophobicContact CG1-CD1 4.11Å; V525-I547 HydrophobicContact CG2-CD1 3.55Å; V525-I547 HydrophobicContact CG2-CG1 4.17Å; V525-I547 HydrophobicContact CG2-CG2 4.3Å; S544-I547 PolarHBondContact O-N 3.41Å; D545-I547 VanDerWaalsContact C-N 3.32Å; I547-V555 HydrophobicContact CG2-CG1 3.53Å; I547-L557 HydrophobicContact CD1-CD1 3.82Å; I547-M605 HydrophobicContact CD1-SD 4.28Å; I547-M605 HydrophobicContact CG1-CE 4.04Å; I547-M605 HydrophobicContact CG1-SD 3.49Å; I547-M605 WeakPolarHBondContact CG1-SD 3.18Å
548	L	97.6	Very high	97	Very high	34 Å²	34	20.1 Å²	20.1	18%	0.178	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	148.9	-175.5	-57.5	-173	0	0	0	112.1	V480 L499 G502 A503 K556	V480-L548 HydrophobicContact CG2-CD1 4.15Å; L499-L548 HydrophobicContact CB-CB 4.13Å; L499-L548 HydrophobicContact CD1-CB 3.43Å; L499-L548 VanDerWaalsContact CD1-CB 3.43Å; L499-L548 HydrophobicContact CD1-CD1 4.06Å; L499-L548 HydrophobicContact CD1-CG 4.39Å; L499-L548 HydrophobicContact CG-CB 4.41Å; G502-L548 WeakPolarHBondContact O-CA 3.47Å; A503-L548 HydrophobicContact CB-CD2 3.75Å; L548-K556 PolarHBondContact N-O 3.1Å; L548-K556 PolarHBondContact O-N 2.74Å
549	L	97.5	Very high	96.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.1	-174.7	-72.1	162.8	0	0	0	112.7	L499 G501 G502 L504 I507 V555 L682 V686	L499-L549 CarbonylContact C-O 3.45Å; G501-L549 WeakPolarHBondContact CA-O 3.47Å; G501-L549 PolarHBondContact N-O 3.47Å; G502-L549 PolarHBondContact O-N 3.31Å; L504-L549 HydrophobicContact CD1-CD1 4.48Å; I507-L549 HydrophobicContact CD1-CD1 3.39Å; L549-V555 HydrophobicContact CD2-CB 4.48Å; L549-V555 HydrophobicContact CD2-CG2 3.67Å; L549-L682 HydrophobicContact CD2-CD1 4.15Å; L549-V686 HydrophobicContact CB-CG2 4.14Å; L549-V686 HydrophobicContact CD1-CG2 4.01Å
550	T	96.4	Very high	96.5	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.037	11%	0.11	C	C	.	.			trans	-81.6	167.7	165.3	57.6	0	0	0	0	111.5	L499 D552 G553 R554	L499-T550 HydrophobicContact CD2-CG2 3.53Å; T550-D552 VanDerWaalsContact C-N 3.26Å; T550-D552 WeakPolarHBondContact CB-OD1 3.44Å; T550-D552 PolarHBondContact O-N 2.69Å; T550-D552 PolarHBondContact OG1-OD1 2.84Å; T550-G553 PolarHBondContact O-N 3.39Å; T550-G553 PolarHBondContact OG1-N 3.02Å; T550-R554 HydrophobicContact CG2-CB 4.14Å; T550-R554 PolarHBondContact N-O 2.84Å; T550-R554 WeakPolarHBondContact OG1-CA 3.27Å; T550-R554 WeakPolarHBondContact OG1-CB 3.09Å; T550-R554 PolarHBondContact OG1-N 3.03Å; T550-R554 PolarHBondContact OG1-O 3.06Å
551	L	94.9	Very high	96.1	Very high	78 Å²	78	22.2 Å²	22.2	41%	0.408	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.8	171.7	-62.1	179.7	0	0	0	113.3	Q500 G553 V686	Q500-L551 HydrophobicContact CB-CD1 4.2Å; Q500-L551 HydrophobicContact CB-CD2 3.88Å; Q500-L551 HydrophobicContact CB-CG 3.91Å; L551-G553 VanDerWaalsContact C-N 3.27Å; L551-V686 HydrophobicContact CD2-CG1 4.16Å
552	D	95.8	Very high	95.9	Very high	76 Å²	76	23.9 Å²	23.9	41%	0.406	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	17.6	173.6	62	-50.5	0	0	0	113.1	T550 R554	T550-D552 VanDerWaalsContact C-N 3.26Å; T550-D552 WeakPolarHBondContact CB-OD1 3.44Å; T550-D552 PolarHBondContact O-N 2.69Å; T550-D552 PolarHBondContact OG1-OD1 2.84Å; D552-R554 VanDerWaalsContact C-N 3.27Å; D552-R554 PolarHBondContact O-N 3.1Å; D552-R554 IonicContact OD1-CZ 3.5Å; D552-R554 IonicContact OD1-NE 3.54Å; D552-R554 IonicContact OD1-NH2 2.72Å; D552-R554 PolarHBondContact OD1-NH2 3.32Å; D552-R554 IonicContact OD2-CZ 3.2Å; D552-R554 IonicContact OD2-NE 2.69Å; D552-R554 PolarHBondContact OD2-NE 3.38Å; D552-R554 IonicContact OD2-NH2 2.86Å; D552-R554 PolarHBondContact OD2-NH2 3.31Å
553	G	96.2	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.			trans	75.7	1.1	168.7	0	0	0	0	0	115.9	T550 L551 P679 L682	T550-G553 PolarHBondContact O-N 3.39Å; T550-G553 PolarHBondContact OG1-N 3.02Å; L551-G553 VanDerWaalsContact C-N 3.27Å; G553-P679 WeakPolarHBondContact CA-O 3.43Å; G553-L682 WeakPolarHBondContact O-CD1 3.29Å
554	R	98.1	Very high	95.5	Very high	108 Å²	108	22.9 Å²	22.9	41%	0.408	11%	0.113	S	C	.	.			trans	-62.7	136.4	170.2	-70.8	175.3	-76.5	131.7	4.9	110.9	T550 D552 P679	T550-R554 HydrophobicContact CG2-CB 4.14Å; T550-R554 PolarHBondContact N-O 2.84Å; T550-R554 WeakPolarHBondContact OG1-CA 3.27Å; T550-R554 WeakPolarHBondContact OG1-CB 3.09Å; T550-R554 PolarHBondContact OG1-N 3.03Å; T550-R554 PolarHBondContact OG1-O 3.06Å; D552-R554 VanDerWaalsContact C-N 3.27Å; D552-R554 PolarHBondContact O-N 3.1Å; D552-R554 IonicContact OD1-CZ 3.5Å; D552-R554 IonicContact OD1-NE 3.54Å; D552-R554 IonicContact OD1-NH2 2.72Å; D552-R554 PolarHBondContact OD1-NH2 3.32Å; D552-R554 IonicContact OD2-CZ 3.2Å; D552-R554 IonicContact OD2-NE 2.69Å; D552-R554 PolarHBondContact OD2-NE 3.38Å; D552-R554 IonicContact OD2-NH2 2.86Å; D552-R554 PolarHBondContact OD2-NH2 3.31Å; R554-P679 HydrophobicContact CG-CB 4.32Å; R554-P679 HydrophobicContact CG-CG 4.38Å
555	V	98.6	Very high	95.4	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.024	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.2	-177.5	177.1	0	0	0	0	110.2	N478 V521 A524 V525 I547 L549 L682	N478-V555 PolarHBondContact ND2-O 3Å; V521-V555 HydrophobicContact CG2-CG2 4.14Å; A524-V555 HydrophobicContact CB-CB 3.64Å; A524-V555 HydrophobicContact CB-CG1 3.89Å; A524-V555 HydrophobicContact CB-CG2 4.33Å; V525-V555 HydrophobicContact CG2-CG1 3.99Å; I547-V555 HydrophobicContact CG2-CG1 3.53Å; L549-V555 HydrophobicContact CD2-CB 4.48Å; L549-V555 HydrophobicContact CD2-CG2 3.67Å; V555-L682 HydrophobicContact CG2-CD1 3.6Å
556	K	98.6	Very high	95.3	Very high	17 Å²	17	27 Å²	27	7%	0.074	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.5	176.9	-73.5	-175.1	163	-170.3	0	112.4	K477 N478 V479 V480 E497 L499 L548	K477-K556 WeakPolarHBondContact O-CE 3.29Å; N478-K556 WeakPolarHBondContact O-CA 3.5Å; V479-K556 WeakPolarHBondContact O-CD 3.35Å; V480-K556 HydrophobicContact CG2-CB 4.11Å; E497-K556 VanDerWaalsContact OE1-CD 3.3Å; E497-K556 WeakPolarHBondContact OE1-CD 3.18Å; E497-K556 WeakPolarHBondContact OE1-CE 3.38Å; E497-K556 IonicContact OE1-NZ 2.6Å; E497-K556 PolarHBondContact OE1-NZ 3.43Å; E497-K556 IonicContact OE2-NZ 2.74Å; E497-K556 PolarHBondContact OE2-NZ 2.67Å; L499-K556 HydrophobicContact CD1-CB 3.89Å; L499-K556 HydrophobicContact CD1-CD 4.08Å; L499-K556 HydrophobicContact CD1-CG 4.48Å; L499-K556 HydrophobicContact CD2-CD 4.29Å; L548-K556 PolarHBondContact N-O 3.1Å; L548-K556 PolarHBondContact O-N 2.74Å
557	L	98.4	Very high	95.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.4	175.8	176.1	61.7	0	0	0	111.6	N478 V480 A528 L532 I542 I547 F560	N478-L557 PolarHBondContact O-N 2.88Å; V480-L557 WeakPolarHBondContact CG2-O 3.49Å; V480-L557 PolarHBondContact N-O 3.27Å; A528-L557 HydrophobicContact CB-CB 4.37Å; A528-L557 HydrophobicContact CB-CD2 4.28Å; L532-L557 HydrophobicContact CD1-CD2 3.91Å; I542-L557 HydrophobicContact CD1-CD1 3.49Å; I542-L557 VanDerWaalsContact CD1-CD1 3.49Å; I542-L557 HydrophobicContact CD1-CD2 4.03Å; I542-L557 HydrophobicContact CD1-CG 4.44Å; I547-L557 HydrophobicContact CD1-CD1 3.82Å; L557-F560 HydrophobicContact CB-CZ 4.38Å; L557-F560 HydrophobicContact CD2-CE1 4.16Å; L557-F560 HydrophobicContact CD2-CZ 4.22Å; L557-F560 HydrophobicContact CG-CE1 4.26Å; L557-F560 HydrophobicContact CG-CZ 3.9Å; L557-F560 WeakPolarHBondContact O-CE2 3.46Å; L557-F560 WeakPolarHBondContact O-CZ 3.28Å
558	S	95.4	Very high	94.7	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	19%	0.191	C	C	.	.			trans	-122.6	179.7	178	70.9	0	0	0	0	113.2	H539 S546	H539-S558 PolarHBondContact CE1-O 3.45Å; H539-S558 VanDerWaalsContact CE1-O 3.24Å; H539-S558 PolarHBondContact NE2-O 2.91Å; H539-S558 VanDerWaalsContact NE2-O 3.17Å; S546-S558 WeakPolarHBondContact CA-OG 3.33Å; S546-S558 PolarHBondContact O-N 3.25Å; S546-S558 PolarHBondContact O-OG 3.2Å
559	D	91.4	Very high	94.3	Very high	53 Å²	53	44.6 Å²	44.6	28%	0.283	22%	0.22	S	C	.	.			trans	69.6	45.7	167.5	-65.3	-76.9	0	0	0	117	K451 G561	K451-D559 IonicContact NZ-OD1 3.79Å; K451-D559 PolarHBondContact NZ-OD1 3.39Å; D559-G561 PolarHBondContact O-N 3.5Å
560	F	92.1	Very high	94.1	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.8	-4.8	178.6	-60.2	-83.9	0	0	0	115.7	N466 I470 M471 V479 L532 H539 L557 F562 C563	N466-F560 WeakPolarHBondContact CB-O 3.38Å; I470-F560 HydrophobicContact CB-CB 4.2Å; I470-F560 HydrophobicContact CG2-CB 4.12Å; I470-F560 HydrophobicContact CG2-CD1 3.6Å; I470-F560 HydrophobicContact CG2-CE1 4.4Å; I470-F560 HydrophobicContact CG2-CG 4.04Å; M471-F560 HydrophobicContact CE-CD2 4.28Å; M471-F560 HydrophobicContact CE-CE2 4.44Å; M471-F560 HydrophobicContact CG-CB 4.23Å; M471-F560 HydrophobicContact CG-CD2 3.49Å; M471-F560 VanDerWaalsContact CG-CD2 3.49Å; M471-F560 HydrophobicContact CG-CE2 4.2Å; M471-F560 HydrophobicContact CG-CG 4.01Å; M471-F560 HydrophobicContact SD-CD2 3.85Å; V479-F560 HydrophobicContact CB-CZ 4.37Å; V479-F560 HydrophobicContact CG1-CE1 4.46Å; V479-F560 HydrophobicContact CG1-CE2 3.95Å; V479-F560 HydrophobicContact CG1-CZ 3.61Å; V479-F560 HydrophobicContact CG2-CZ 4.12Å; L532-F560 HydrophobicContact CD1-CE1 3.97Å; H539-F560 AromaticContact CD2-CD1 3.68Å; H539-F560 AromaticContact CD2-CE1 3.77Å; H539-F560 AromaticContact NE2-CD1 3.75Å; H539-F560 AromaticContact NE2-CE1 3.9Å; L557-F560 HydrophobicContact CB-CZ 4.38Å; L557-F560 HydrophobicContact CD2-CE1 4.16Å; L557-F560 HydrophobicContact CD2-CZ 4.22Å; L557-F560 HydrophobicContact CG-CE1 4.26Å; L557-F560 HydrophobicContact CG-CZ 3.9Å; L557-F560 WeakPolarHBondContact O-CE2 3.46Å; L557-F560 WeakPolarHBondContact O-CZ 3.28Å; F560-F562 PolarHBondContact O-N 3.48Å; F560-F562 VanDerWaalsContact O-N 3.17Å; F560-C563 WeakPolarHBondContact O-CB 3.36Å; F560-C563 PolarHBondContact O-N 3.43Å; F560-C563 PolarHBondContact O-SG 2.79Å
561	G	88.6	Confident	93.8	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.031	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35.6	178.6	0	0	0	0	0	114.6	L463 N466 E467 D559 C563	L463-G561 WeakPolarHBondContact CB-O 3.39Å; N466-G561 PolarHBondContact ND2-O 3.18Å; E467-G561 WeakPolarHBondContact OE1-CA 3.46Å; E467-G561 PolarHBondContact OE1-N 2.86Å; E467-G561 PolarHBondContact OE2-N 3.11Å; D559-G561 PolarHBondContact O-N 3.5Å; G561-C563 VanDerWaalsContact C-N 3.3Å; G561-C563 PolarHBondContact O-N 2.87Å
562	F	92.4	Very high	93.8	Very high	42 Å²	42	52.6 Å²	52.6	18%	0.184	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-85	4.9	176.2	-73.1	-6	0	0	0	114.6	T433 L463 H539 R540 D541 F560 V577	T433-F562 HydrophobicContact CG2-CE1 4.39Å; L463-F562 HydrophobicContact CD1-CD1 4.08Å; L463-F562 HydrophobicContact CD1-CE1 4.39Å; H539-F562 CarbonylContact O-C 3.46Å; H539-F562 VanDerWaalsContact O-C 3.31Å; R540-F562 PolarHBondContact NE-O 2.95Å; R540-F562 PolarHBondContact NH2-O 3.32Å; D541-F562 HydrophobicContact CB-CB 4.13Å; D541-F562 HydrophobicContact CB-CD2 3.89Å; D541-F562 HydrophobicContact CB-CG 4.49Å; F560-F562 PolarHBondContact O-N 3.48Å; F560-F562 VanDerWaalsContact O-N 3.17Å; F562-V577 HydrophobicContact CB-CG1 3.87Å; F562-V577 HydrophobicContact CD1-CG1 4.17Å; F562-V577 HydrophobicContact CD2-CG1 4.09Å; F562-V577 HydrophobicContact CG-CG1 3.78Å
563	C	94.8	Very high	93.7	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	26%	0.259	C	S	.	.			trans	-58.3	163	178.5	-77	0	0	0	0	114.2	N466 I470 V537 I538 H539 R540 F560 G561	N466-C563 HydrophobicContact CB-CB 4.36Å; N466-C563 PolarHBondContact ND2-O 2.67Å; I470-C563 HydrophobicContact CG1-CB 4.01Å; V537-C563 HydrophobicContact CG1-CB 4.33Å; I538-C563 CarbonylContact O-C 3.6Å; I538-C563 WeakPolarHBondContact O-CA 3.21Å; H539-C563 VanDerWaalsContact CD2-SG 3.55Å; H539-C563 PolarHBondContact O-N 3.08Å; R540-C563 PolarHBondContact NH2-O 3Å; F560-C563 WeakPolarHBondContact O-CB 3.36Å; F560-C563 PolarHBondContact O-N 3.43Å; F560-C563 PolarHBondContact O-SG 2.79Å; G561-C563 VanDerWaalsContact C-N 3.3Å; G561-C563 PolarHBondContact O-N 2.87Å
564	A	93.7	Very high	93.6	Very high	2 Å²	2	59.8 Å²	59.8	2%	0.017	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	123.9	167	0	0	0	0	0	111	I538 R573	I538-A564 PolarHBondContact N-O 2.85Å; I538-A564 PolarHBondContact O-N 2.98Å; A564-R573 HydrophobicContact CB-CG 3.97Å
565	Q	93.1	Very high	93.3	Very high	98 Å²	98	56.3 Å²	56.3	46%	0.458	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	145.2	163.6	-155.2	175.7	22.7	0	0	110.5	Y474 G536 R573	Y474-Q565 PolarHBondContact OH-NE2 3.41Å; G536-Q565 CarbonylContact O-C 3.6Å; G536-Q565 VanDerWaalsContact O-CA 3.3Å; G536-Q565 WeakPolarHBondContact O-CA 3.47Å; Q565-R573 PolarHBondContact O-NE 2.91Å; Q565-R573 VanDerWaalsContact O-NE 3.1Å; Q565-R573 PolarHBondContact O-NH2 3.34Å
566	I	93.4	Very high	93	Very high	34 Å²	34	59 Å²	59	17%	0.174	29%	0.294	C	S	.	.			trans	-118.2	154.9	166.6	48.3	164.2	0	0	0	109.5	G536 I538 I570 P571 R573	G536-I566 WeakPolarHBondContact O-CG1 3.29Å; G536-I566 PolarHBondContact O-N 2.94Å; I538-I566 HydrophobicContact CD1-CD1 4.44Å; I538-I566 HydrophobicContact CD1-CG1 4.39Å; I538-I566 HydrophobicContact CD1-CG2 3.72Å; I538-I566 HydrophobicContact CG1-CG1 4.44Å; I566-I570 WeakPolarHBondContact CA-O 3.1Å; I566-I570 WeakPolarHBondContact CB-O 3.13Å; I566-I570 WeakPolarHBondContact CG2-O 3.42Å; I566-P571 WeakPolarHBondContact CD1-O 3.46Å; I566-R573 HydrophobicContact CG2-CG 3.98Å
567	S	92.2	Very high	92.6	Very high	54 Å²	54	59 Å²	59	38%	0.378	30%	0.295	S	S	.	.			trans	-136.2	178.3	-178.7	78.7	0	0	0	0	111.1	D569 I570 P571	S567-D569 PolarHBondContact O-N 3.21Å; S567-D569 PolarHBondContact OG-N 2.83Å; S567-D569 PolarHBondContact OG-OD2 2.93Å; S567-I570 PolarHBondContact N-O 3.15Å; S567-I570 CarbonylContact O-C 3.58Å; S567-I570 PolarHBondContact O-N 2.83Å; S567-I570 PolarHBondContact OG-N 2.7Å; S567-I570 VanDerWaalsContact OG-N 3.12Å; S567-P571 WeakPolarHBondContact O-CA 3.39Å
568	K	88.9	Confident	92.3	Very high	205 Å²	205	59.5 Å²	59.5	89%	0.891	30%	0.301	S	S	*	.	S	Bend	trans	-61.2	-31.6	173.5	-65.8	-179.1	-179	176.6	0	112.3
569	D	90.7	Very high	92.2	Very high	147 Å²	147	60.7 Å²	60.7	79%	0.786	31%	0.308	S	S	*	.	S	Bend	trans	-83.2	-31.7	179	-38.8	-83.5	0	0	0	112.6	S567 P571	S567-D569 PolarHBondContact O-N 3.21Å; S567-D569 PolarHBondContact OG-N 2.83Å; S567-D569 PolarHBondContact OG-OD2 2.93Å; D569-P571 VanDerWaalsContact C-CD 3.48Å
570	I	91.6	Very high	92.4	Very high	101 Å²	101	58.8 Å²	58.8	52%	0.518	30%	0.299	S	S	.	.	S	Bend	trans	-127.5	72.5	176.8	-48.7	-179	0	0	0	109.1	I566 S567 K572	I566-I570 WeakPolarHBondContact CA-O 3.1Å; I566-I570 WeakPolarHBondContact CB-O 3.13Å; I566-I570 WeakPolarHBondContact CG2-O 3.42Å; S567-I570 PolarHBondContact N-O 3.15Å; S567-I570 CarbonylContact O-C 3.58Å; S567-I570 PolarHBondContact O-N 2.83Å; S567-I570 PolarHBondContact OG-N 2.7Å; S567-I570 VanDerWaalsContact OG-N 3.12Å; I570-K572 VanDerWaalsContact C-N 3.35Å; I570-K572 PolarHBondContact O-N 3.45Å
571	P	90.6	Very high	92.6	Very high	77 Å²	77	59.6 Å²	59.6	50%	0.5	30%	0.302	S	S	.	.			trans	-78.3	-15.4	-170	29.8	-36.8	0	0	0	114.3	I566 S567 D569	I566-P571 WeakPolarHBondContact CD1-O 3.46Å; S567-P571 WeakPolarHBondContact O-CA 3.39Å; D569-P571 VanDerWaalsContact C-CD 3.48Å
572	K	94.5	Very high	93.1	Very high	76 Å²	76	59.8 Å²	59.8	33%	0.33	30%	0.301	S	S	.	.			trans	-140.9	144.4	177.3	-70.1	-154.5	173.3	-147.3	0	111.8	I570 P592 Y593 E596	I570-K572 VanDerWaalsContact C-N 3.35Å; I570-K572 PolarHBondContact O-N 3.45Å; K572-P592 HydrophobicContact CB-CB 3.99Å; K572-P592 HydrophobicContact CD-CB 4.17Å; K572-P592 WeakPolarHBondContact CD-O 3.39Å; K572-Y593 CarbonylContact C-O 3.58Å; K572-Y593 VanDerWaalsContact CA-O 3.24Å; K572-Y593 WeakPolarHBondContact CA-O 3.36Å; K572-Y593 VanDerWaalsContact CB-O 3.29Å; K572-Y593 WeakPolarHBondContact CB-O 3.34Å; K572-E596 IonicContact NZ-OE1 3.89Å; K572-E596 PolarHBondContact NZ-OE1 2.76Å; K572-E596 IonicContact NZ-OE2 2.83Å
573	R	94.2	Very high	93.4	Very high	89 Å²	89	58.2 Å²	58.2	34%	0.336	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-92.2	164.7	172.8	-62.2	-58.2	-168.6	134.9	4.5	110.5	I538 A564 Q565 I566 P592 Y593	I538-R573 HydrophobicContact CD1-CG 4.17Å; A564-R573 HydrophobicContact CB-CG 3.97Å; Q565-R573 PolarHBondContact O-NE 2.91Å; Q565-R573 VanDerWaalsContact O-NE 3.1Å; Q565-R573 PolarHBondContact O-NH2 3.34Å; I566-R573 HydrophobicContact CG2-CG 3.98Å; R573-P592 WeakPolarHBondContact O-CA 3.08Å; R573-Y593 HydrophobicContact CB-CD2 4.29Å; R573-Y593 HydrophobicContact CB-CE1 4.35Å; R573-Y593 HydrophobicContact CB-CE2 3.7Å; R573-Y593 PolarHBondContact N-O 2.95Å; R573-Y593 PolarHBondContact O-N 2.93Å
574	K	93.8	Very high	93.5	Very high	139 Å²	139	58.2 Å²	58.2	60%	0.604	30%	0.295	S	S	*	.			trans	-138	5.6	178	-55.8	-172.2	-173	-171.3	0	113.7	P592	K574-P592 HydrophobicContact CG-CB 4.41Å
575	S	91.6	Very high	93.7	Very high	35 Å²	35	58.3 Å²	58.3	25%	0.245	30%	0.296	C	S	.	.			trans	-83.4	129.2	-175.1	58.6	0	0	0	0	110.6	R540 V577 Y593	R540-S575 PolarHBondContact NH1-OG 3.46Å; S575-V577 PolarHBondContact O-N 2.78Å; S575-V577 VanDerWaalsContact O-N 3.15Å; S575-Y593 WeakPolarHBondContact O-CE1 3.37Å; S575-Y593 PolarHBondContact O-OH 3.28Å; S575-Y593 PolarHBondContact OG-OH 3.09Å
576	L	93.3	Very high	94	Very high	61 Å²	61	54.2 Å²	54.2	32%	0.319	28%	0.276	S	S	.	.			trans	-66.6	106.9	168.2	-175.4	64.3	0	0	0	108.8	M583 V587	L576-M583 HydrophobicContact CD1-CE 4.16Å; L576-M583 HydrophobicContact CD1-SD 3.65Å; L576-V587 HydrophobicContact CD1-CG1 4.26Å
577	V	91	Very high	94.2	Very high	15 Å²	15	53 Å²	53	9%	0.091	27%	0.27	C	S	.	.			trans	-151.2	149.2	-175.3	178.5	0	0	0	0	107.8	R460 F562 S575	R460-V577 VanDerWaalsContact NH1-CG2 3.28Å; F562-V577 HydrophobicContact CB-CG1 3.87Å; F562-V577 HydrophobicContact CD1-CG1 4.17Å; F562-V577 HydrophobicContact CD2-CG1 4.09Å; F562-V577 HydrophobicContact CG-CG1 3.78Å; S575-V577 PolarHBondContact O-N 2.78Å; S575-V577 VanDerWaalsContact O-N 3.15Å
578	G	90.9	Very high	94.4	Very high	13 Å²	13	51 Å²	51	13%	0.134	26%	0.256	C	S	.	.	S	Bend	trans	116.2	178.4	-177.7	0	0	0	0	0	112.5	R540 M583	R540-G578 WeakPolarHBondContact O-CA 3.2Å; G578-M583 WeakPolarHBondContact O-CE 3.32Å
579	T	93.5	Very high	94.7	Very high	29 Å²	29	43.8 Å²	43.8	18%	0.178	23%	0.231	C	C	.	.			trans	-88.3	124.1	177.7	-55.9	0	0	0	0	110.9	D541 K543 Y581 W582 M583	D541-T579 VanDerWaalsContact OD1-CB 3.27Å; D541-T579 WeakPolarHBondContact OD1-CB 3.46Å; D541-T579 PolarHBondContact OD1-N 3.36Å; D541-T579 PolarHBondContact OD1-OG1 3.14Å; D541-T579 PolarHBondContact OD2-OG1 3.11Å; K543-T579 HydrophobicContact CD-CG2 4.47Å; K543-T579 PolarHBondContact NZ-OG1 2.66Å; T579-Y581 PolarHBondContact O-N 3.03Å; T579-Y581 VanDerWaalsContact O-N 3.08Å; T579-W582 HydrophobicContact CG2-CE3 3.5Å; T579-W582 VanDerWaalsContact CG2-CE3 3.5Å; T579-W582 HydrophobicContact CG2-CZ3 3.39Å; T579-W582 PolarHBondContact O-N 3.4Å; T579-M583 PolarHBondContact O-N 2.9Å
580	P	95.1	Very high	94.9	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.084	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-48.1	-40.8	-165.8	-36.8	39.1	0	0	0	118.5	W582 M583 P621 M625	P580-W582 VanDerWaalsContact C-N 3.32Å; P580-W582 PolarHBondContact O-N 2.98Å; P580-M583 HydrophobicContact CG-CE 4.47Å; P580-P621 HydrophobicContact CB-CB 3.65Å; P580-P621 HydrophobicContact CG-CB 3.82Å; P580-M625 HydrophobicContact CB-CE 4.13Å; P580-M625 HydrophobicContact CB-CG 3.84Å; P580-M625 HydrophobicContact CB-SD 3.94Å; P580-M625 HydrophobicContact CG-CE 4.29Å; P580-M625 HydrophobicContact CG-SD 4.3Å
581	Y	97.1	Very high	95.1	Very high	17 Å²	17	37.6 Å²	37.6	7%	0.067	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-75	-19.1	-176.3	-54.9	-91.1	0	0	0	113.5	T579 Y616 F617 E619 P621 A624 L628	T579-Y581 PolarHBondContact O-N 3.03Å; T579-Y581 VanDerWaalsContact O-N 3.08Å; Y581-Y616 WeakPolarHBondContact CE1-O 3.28Å; Y581-F617 HydrophobicContact CD2-CD2 4.48Å; Y581-F617 HydrophobicContact CE2-CD2 4.44Å; Y581-E619 PolarHBondContact OH-O 2.95Å; Y581-P621 HydrophobicContact CE2-CB 4.07Å; Y581-P621 HydrophobicContact CE2-CG 4Å; Y581-P621 WeakPolarHBondContact OH-CD 3.49Å; Y581-P621 WeakPolarHBondContact OH-CG 3.29Å; Y581-A624 HydrophobicContact CD1-CB 3.38Å; Y581-A624 HydrophobicContact CE1-CB 3.45Å; Y581-A624 VanDerWaalsContact CE1-CB 3.45Å; Y581-A624 HydrophobicContact CG-CB 4.37Å; Y581-L628 WeakPolarHBondContact O-CD1 3.45Å
582	W	98.4	Very high	95.3	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.027	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-101.9	-3.4	178.9	-62.2	-106.7	0	0	0	112.9	K543 T579 P580 S601 I604 E608 P614	K543-W582 HydrophobicContact CB-CD2 3.75Å; K543-W582 VanDerWaalsContact CB-CE2 3.47Å; K543-W582 HydrophobicContact CB-CE3 4.42Å; K543-W582 HydrophobicContact CB-CG 3.92Å; K543-W582 HydrophobicContact CB-CZ2 3.93Å; T579-W582 HydrophobicContact CG2-CE3 3.5Å; T579-W582 VanDerWaalsContact CG2-CE3 3.5Å; T579-W582 HydrophobicContact CG2-CZ3 3.39Å; T579-W582 PolarHBondContact O-N 3.4Å; P580-W582 VanDerWaalsContact C-N 3.32Å; P580-W582 PolarHBondContact O-N 2.98Å; W582-S601 WeakPolarHBondContact O-CA 3.24Å; W582-S601 WeakPolarHBondContact O-CB 3.17Å; W582-S601 PolarHBondContact O-OG 3.27Å; W582-I604 HydrophobicContact CB-CB 4.41Å; W582-I604 HydrophobicContact CB-CG2 4.28Å; W582-I604 VanDerWaalsContact CD1-CG2 3.45Å; W582-I604 HydrophobicContact CD2-CG2 4.46Å; W582-I604 HydrophobicContact CG-CB 4.27Å; W582-I604 HydrophobicContact CG-CG2 3.8Å; W582-E608 WeakPolarHBondContact CZ2-OE1 3.38Å; W582-E608 PolarHBondContact NE1-OE2 3.11Å; W582-P614 HydrophobicContact CH2-CG 3.79Å; W582-P614 HydrophobicContact CZ2-CB 4.08Å; W582-P614 HydrophobicContact CZ2-CG 3.71Å; W582-P614 HydrophobicContact CZ3-CG 4.37Å
583	M	98.1	Very high	95.5	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.044	18%	0.181	C	C	.	.			trans	-67.1	137.3	-176.7	-72	-169.9	-174.5	0	0	112.9	L576 G578 T579 P580 V587 I588 W600 M625	L576-M583 HydrophobicContact CD1-CE 4.16Å; L576-M583 HydrophobicContact CD1-SD 3.65Å; G578-M583 WeakPolarHBondContact O-CE 3.32Å; T579-M583 PolarHBondContact O-N 2.9Å; P580-M583 HydrophobicContact CG-CE 4.47Å; M583-V587 HydrophobicContact SD-CG1 4.36Å; M583-I588 HydrophobicContact CB-CD1 3.88Å; M583-I588 HydrophobicContact CB-CG1 3.69Å; M583-I588 HydrophobicContact SD-CG1 4.08Å; M583-W600 PolarHBondContact O-NE1 3.47Å; M583-M625 HydrophobicContact CE-SD 4.26Å; M583-M625 HydrophobicContact SD-CG 4.38Å; M583-M625 HydrophobicContact SD-SD 3.72Å
584	A	98.4	Very high	95.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.166	C	C	.	.			trans	-70.4	147.8	173.4	0	0	0	0	0	112.7	E586 V587 I588 V597 W600	A584-E586 HydrophobicContact CB-CG 4.37Å; A584-E586 WeakPolarHBondContact CB-OE1 3.38Å; A584-E586 PolarHBondContact O-N 3.14Å; A584-E586 VanDerWaalsContact O-N 3.14Å; A584-V587 HydrophobicContact CB-CG2 4.15Å; A584-V587 WeakPolarHBondContact O-CB 3.24Å; A584-V587 PolarHBondContact O-N 3.06Å; A584-I588 PolarHBondContact O-N 2.86Å; A584-V597 HydrophobicContact CB-CB 4.04Å; A584-V597 HydrophobicContact CB-CG1 4.15Å; A584-W600 VanDerWaalsContact CA-CD1 3.42Å; A584-W600 HydrophobicContact CB-CB 3.76Å; A584-W600 HydrophobicContact CB-CD2 4.38Å; A584-W600 HydrophobicContact CB-CG 3.71Å
585	P	98.1	Very high	95.9	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-54.8	-35.9	-176.6	-26.3	34.3	0	0	0	113.9	S589 W600 L628	P585-S589 VanDerWaalsContact O-CB 3.31Å; P585-S589 WeakPolarHBondContact O-CB 3.34Å; P585-S589 PolarHBondContact O-N 3.2Å; P585-S589 PolarHBondContact O-OG 3.41Å; P585-W600 HydrophobicContact CG-CD2 4.47Å; P585-W600 HydrophobicContact CG-CE3 4.33Å; P585-W600 HydrophobicContact CG-CH2 3.64Å; P585-W600 HydrophobicContact CG-CZ2 3.79Å; P585-W600 HydrophobicContact CG-CZ3 3.92Å; P585-L628 WeakPolarHBondContact CG-O 3.29Å
586	E	98.1	Very high	96.2	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.056	14%	0.142	C	C	.	.	H	α-helix	trans	-68.8	-34.4	177.5	63.1	-85.4	-159.9	0	0	113.2	A584 S589 K590 S591 V597 P658 R661	A584-E586 HydrophobicContact CB-CG 4.37Å; A584-E586 WeakPolarHBondContact CB-OE1 3.38Å; A584-E586 PolarHBondContact O-N 3.14Å; A584-E586 VanDerWaalsContact O-N 3.14Å; E586-S589 PolarHBondContact O-N 3.48Å; E586-K590 PolarHBondContact O-N 3.48Å; E586-S591 WeakPolarHBondContact O-CB 3.15Å; E586-S591 PolarHBondContact O-N 3.21Å; E586-V597 HydrophobicContact CG-CG1 4.12Å; E586-P658 HydrophobicContact CB-CG 4.12Å; E586-P658 HydrophobicContact CG-CG 3.93Å; E586-R661 IonicContact OE1-CZ 3.17Å; E586-R661 IonicContact OE1-NH1 2.82Å; E586-R661 PolarHBondContact OE1-NH1 2.71Å; E586-R661 IonicContact OE1-NH2 2.74Å; E586-R661 PolarHBondContact OE1-NH2 3.39Å; E586-R661 IonicContact OE2-NH2 2.71Å; E586-R661 PolarHBondContact OE2-NH2 2.99Å
587	V	97.8	Very high	96.5	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-67	-46.8	174.8	-178.7	0	0	0	0	109.7	L576 M583 A584 S589 K590 Y593 V597	L576-V587 HydrophobicContact CD1-CG1 4.26Å; M583-V587 HydrophobicContact SD-CG1 4.36Å; A584-V587 HydrophobicContact CB-CG2 4.15Å; A584-V587 WeakPolarHBondContact O-CB 3.24Å; A584-V587 PolarHBondContact O-N 3.06Å; V587-S589 VanDerWaalsContact C-N 3.27Å; V587-S589 PolarHBondContact O-N 2.97Å; V587-K590 PolarHBondContact O-N 2.78Å; V587-Y593 HydrophobicContact CB-CD1 4.4Å; V587-Y593 HydrophobicContact CB-CE1 4.31Å; V587-Y593 HydrophobicContact CG1-CE1 4.09Å; V587-Y593 HydrophobicContact CG2-CD1 3.82Å; V587-Y593 HydrophobicContact CG2-CD2 4.34Å; V587-Y593 HydrophobicContact CG2-CE1 3.92Å; V587-Y593 HydrophobicContact CG2-CE2 4.45Å; V587-Y593 HydrophobicContact CG2-CG 4.04Å; V587-V597 HydrophobicContact CG2-CB 3.97Å; V587-V597 HydrophobicContact CG2-CG1 3.52Å
588	I	97.1	Very high	96.9	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.072	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-35.3	177.8	-56.5	163.5	0	0	0	110.8	M583 A584 K590 M625 L628 R629	M583-I588 HydrophobicContact CB-CD1 3.88Å; M583-I588 HydrophobicContact CB-CG1 3.69Å; M583-I588 HydrophobicContact SD-CG1 4.08Å; A584-I588 PolarHBondContact O-N 2.86Å; I588-K590 PolarHBondContact O-N 2.84Å; I588-M625 HydrophobicContact CD1-CB 4.18Å; I588-M625 HydrophobicContact CD1-CG 4.14Å; I588-M625 HydrophobicContact CG1-CB 4.38Å; I588-M625 HydrophobicContact CG1-CG 4.17Å; I588-M625 HydrophobicContact CG2-CB 4.01Å; I588-L628 HydrophobicContact CD1-CB 3.76Å; I588-L628 HydrophobicContact CD1-CD1 4.39Å; I588-R629 HydrophobicContact CB-CB 4.35Å; I588-R629 HydrophobicContact CG2-CB 3.98Å
589	S	95.1	Very high	97.2	Very high	53 Å²	53	20 Å²	20	37%	0.371	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.9	175.2	-57.2	0	0	0	0	114	P585 E586 V587 S591 R629	P585-S589 VanDerWaalsContact O-CB 3.31Å; P585-S589 WeakPolarHBondContact O-CB 3.34Å; P585-S589 PolarHBondContact O-N 3.2Å; P585-S589 PolarHBondContact O-OG 3.41Å; E586-S589 PolarHBondContact O-N 3.48Å; V587-S589 VanDerWaalsContact C-N 3.27Å; V587-S589 PolarHBondContact O-N 2.97Å; S589-S591 PolarHBondContact O-N 3.2Å; S589-R629 VanDerWaalsContact OG-CD 3.3Å; S589-R629 WeakPolarHBondContact OG-CD 3.41Å; S589-R629 WeakPolarHBondContact OG-CG 3.31Å
590	K	93.9	Very high	97.5	Very high	69 Å²	69	18.6 Å²	18.6	30%	0.3	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	27.4	-169.3	-50.7	-172	-175.4	-172.7	0	113.3	Y81 M85 E586 V587 I588	Y81-K590 HydrophobicContact CE1-CD 4.44Å; Y81-K590 PolarHBondContact OH-NZ 2.8Å; M85-K590 PolarHBondContact SD-NZ 2.78Å; M85-K590 VanDerWaalsContact SD-NZ 3.41Å; E586-K590 PolarHBondContact O-N 3.48Å; V587-K590 PolarHBondContact O-N 2.78Å; I588-K590 PolarHBondContact O-N 2.84Å
591	S	95.7	Very high	97.7	Very high	49 Å²	49	18.3 Å²	18.3	34%	0.343	11%	0.106	S	C	.	.			trans	-69.2	161.4	173.1	-67.9	0	0	0	0	111.1	E586 S589 Y593	E586-S591 WeakPolarHBondContact O-CB 3.15Å; E586-S591 PolarHBondContact O-N 3.21Å; S589-S591 PolarHBondContact O-N 3.2Å; S591-Y593 WeakPolarHBondContact O-CD1 3.43Å; S591-Y593 PolarHBondContact O-N 2.68Å
592	P	96.7	Very high	97.7	Very high	69 Å²	69	17.5 Å²	17.5	45%	0.448	10%	0.103	S	C	.	.			trans	-70.8	118.5	172.3	-8.5	25.1	0	0	0	110.5	K572 R573 K574	K572-P592 HydrophobicContact CB-CB 3.99Å; K572-P592 HydrophobicContact CD-CB 4.17Å; K572-P592 WeakPolarHBondContact CD-O 3.39Å; R573-P592 WeakPolarHBondContact O-CA 3.08Å; K574-P592 HydrophobicContact CG-CB 4.41Å
593	Y	97.8	Very high	97.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-126.2	151.9	-177.4	68.2	-103.4	0	0	0	112.6	R540 K572 R573 S575 V587 S591 V597	R540-Y593 WeakPolarHBondContact CD-OH 3.36Å; R540-Y593 HydrophobicContact CG-CE2 4.49Å; R540-Y593 PolarHBondContact NH1-OH 3.46Å; K572-Y593 CarbonylContact C-O 3.58Å; K572-Y593 VanDerWaalsContact CA-O 3.24Å; K572-Y593 WeakPolarHBondContact CA-O 3.36Å; K572-Y593 VanDerWaalsContact CB-O 3.29Å; K572-Y593 WeakPolarHBondContact CB-O 3.34Å; R573-Y593 HydrophobicContact CB-CD2 4.29Å; R573-Y593 HydrophobicContact CB-CE1 4.35Å; R573-Y593 HydrophobicContact CB-CE2 3.7Å; R573-Y593 PolarHBondContact N-O 2.95Å; R573-Y593 PolarHBondContact O-N 2.93Å; S575-Y593 WeakPolarHBondContact O-CE1 3.37Å; S575-Y593 PolarHBondContact O-OH 3.28Å; S575-Y593 PolarHBondContact OG-OH 3.09Å; V587-Y593 HydrophobicContact CB-CD1 4.4Å; V587-Y593 HydrophobicContact CB-CE1 4.31Å; V587-Y593 HydrophobicContact CG1-CE1 4.09Å; V587-Y593 HydrophobicContact CG2-CD1 3.82Å; V587-Y593 HydrophobicContact CG2-CD2 4.34Å; V587-Y593 HydrophobicContact CG2-CE1 3.92Å; V587-Y593 HydrophobicContact CG2-CE2 4.45Å; V587-Y593 HydrophobicContact CG2-CG 4.04Å; S591-Y593 WeakPolarHBondContact O-CD1 3.43Å; S591-Y593 PolarHBondContact O-N 2.68Å; Y593-V597 HydrophobicContact CD2-CB 4.49Å; Y593-V597 HydrophobicContact CD2-CG1 3.56Å; Y593-V597 HydrophobicContact CD2-CG2 4.1Å; Y593-V597 HydrophobicContact CE2-CG1 4.43Å; Y593-V597 HydrophobicContact CE2-CG2 4.36Å; Y593-V597 HydrophobicContact CG-CG1 3.71Å
594	G	97.8	Very high	97.8	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	10%	0.1	C	C	.	.			trans	-115.8	-141	174.6	0	0	0	0	0	112.2	I538 E596	I538-G594 VanDerWaalsContact CD1-C 3.5Å; I538-G594 WeakPolarHBondContact CD1-O 3.36Å; I538-G594 WeakPolarHBondContact CG2-O 3.11Å; G594-E596 VanDerWaalsContact C-N 3.26Å; G594-E596 WeakPolarHBondContact CA-OE2 3.35Å; G594-E596 PolarHBondContact N-OE1 3.02Å; G594-E596 PolarHBondContact N-OE2 2.89Å; G594-E596 VanDerWaalsContact N-OE2 3.09Å; G594-E596 PolarHBondContact O-N 3.1Å
595	T	98.2	Very high	97.8	Very high	34 Å²	34	16.7 Å²	16.7	21%	0.209	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.4	180	46.1	0	0	0	0	113.8	H533 I538 V597 D598	H533-T595 HydrophobicContact CB-CG2 3.88Å; H533-T595 PolarHBondContact CE1-O 2.79Å; H533-T595 VanDerWaalsContact CE1-O 3.24Å; I538-T595 HydrophobicContact CG1-CG2 3.94Å; T595-V597 PolarHBondContact O-N 3.38Å; T595-D598 PolarHBondContact O-N 3Å; T595-D598 VanDerWaalsContact O-N 3.11Å
596	E	98.5	Very high	97.8	Very high	27 Å²	27	16.5 Å²	16.5	13%	0.126	10%	0.098	C	C	.	.	H	α-helix	trans	-60.4	-17.8	-175.6	65.7	-81.1	-173.1	0	0	114.4	K572 G594 V599 P658 R661	K572-E596 IonicContact NZ-OE1 3.89Å; K572-E596 PolarHBondContact NZ-OE1 2.76Å; K572-E596 IonicContact NZ-OE2 2.83Å; G594-E596 VanDerWaalsContact C-N 3.26Å; G594-E596 WeakPolarHBondContact CA-OE2 3.35Å; G594-E596 PolarHBondContact N-OE1 3.02Å; G594-E596 PolarHBondContact N-OE2 2.89Å; G594-E596 VanDerWaalsContact N-OE2 3.09Å; G594-E596 PolarHBondContact O-N 3.1Å; E596-V599 PolarHBondContact O-N 3.36Å; E596-P658 HydrophobicContact CG-CB 3.51Å; E596-R661 WeakPolarHBondContact O-CD 3.23Å; E596-R661 PolarHBondContact O-NH1 3.4Å
597	V	98.8	Very high	97.7	Very high	3 Å²	3	16 Å²	16	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-69.7	-30.8	177.1	-54.3	0	0	0	0	113.1	I538 R540 A584 E586 V587 Y593 T595 V599 W600 S601	I538-V597 HydrophobicContact CG2-CG2 3.57Å; R540-V597 HydrophobicContact CG-CG2 4.29Å; A584-V597 HydrophobicContact CB-CB 4.04Å; A584-V597 HydrophobicContact CB-CG1 4.15Å; E586-V597 HydrophobicContact CG-CG1 4.12Å; V587-V597 HydrophobicContact CG2-CB 3.97Å; V587-V597 HydrophobicContact CG2-CG1 3.52Å; Y593-V597 HydrophobicContact CD2-CB 4.49Å; Y593-V597 HydrophobicContact CD2-CG1 3.56Å; Y593-V597 HydrophobicContact CD2-CG2 4.1Å; Y593-V597 HydrophobicContact CE2-CG1 4.43Å; Y593-V597 HydrophobicContact CE2-CG2 4.36Å; Y593-V597 HydrophobicContact CG-CG1 3.71Å; T595-V597 PolarHBondContact O-N 3.38Å; V597-V599 VanDerWaalsContact C-N 3.28Å; V597-V599 PolarHBondContact O-N 2.81Å; V597-W600 PolarHBondContact O-N 2.88Å; V597-S601 PolarHBondContact O-N 2.63Å; V597-S601 VanDerWaalsContact O-N 3.11Å; V597-S601 PolarHBondContact O-OG 2.97Å
598	D	98.8	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.1	-31.5	-179.7	-62.8	-31.1	0	0	0	110.9	L529 H533 I538 H539 R540 I542 T595 S601 M602	L529-D598 HydrophobicContact CD1-CB 4.34Å; L529-D598 HydrophobicContact CD2-CB 3.85Å; H533-D598 IonicContact CD2-OD2 2.63Å; H533-D598 IonicContact CE1-OD2 2.97Å; H533-D598 IonicContact NE2-OD2 3.06Å; H533-D598 PolarHBondContact NE2-OD2 3.25Å; I538-D598 WeakPolarHBondContact CG2-OD2 3.42Å; H539-D598 PolarHBondContact N-OD1 3.04Å; H539-D598 PolarHBondContact N-OD2 2.79Å; R540-D598 WeakPolarHBondContact CA-OD1 3.43Å; R540-D598 PolarHBondContact N-OD1 2.9Å; I542-D598 HydrophobicContact CG1-CB 4.23Å; T595-D598 PolarHBondContact O-N 3Å; T595-D598 VanDerWaalsContact O-N 3.11Å; D598-S601 PolarHBondContact O-N 2.97Å; D598-M602 WeakPolarHBondContact O-CB 3.5Å; D598-M602 PolarHBondContact O-N 2.92Å
599	V	98.9	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-37.7	176	178.2	0	0	0	0	111.5	E596 V597 M602 G603 M653 R661 A662 L667	E596-V599 PolarHBondContact O-N 3.36Å; V597-V599 VanDerWaalsContact C-N 3.28Å; V597-V599 PolarHBondContact O-N 2.81Å; V599-M602 WeakPolarHBondContact O-CB 3.46Å; V599-M602 PolarHBondContact O-N 3.21Å; V599-G603 PolarHBondContact O-N 3.3Å; V599-M653 HydrophobicContact CG1-CB 4.21Å; V599-M653 HydrophobicContact CG1-CG 4.01Å; V599-R661 HydrophobicContact CG1-CG 4.2Å; V599-A662 WeakPolarHBondContact CG1-O 3.35Å; V599-L667 HydrophobicContact CG1-CD1 3.42Å; V599-L667 VanDerWaalsContact CG1-CD1 3.42Å
600	W	98.8	Very high	97.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-48.9	171.4	175.7	-78.9	0	0	0	110.7	M583 A584 P585 V597 M602 G603 I604 L628 A633 P634 L654 R656	M583-W600 PolarHBondContact O-NE1 3.47Å; A584-W600 VanDerWaalsContact CA-CD1 3.42Å; A584-W600 HydrophobicContact CB-CB 3.76Å; A584-W600 HydrophobicContact CB-CD2 4.38Å; A584-W600 HydrophobicContact CB-CG 3.71Å; P585-W600 HydrophobicContact CG-CD2 4.47Å; P585-W600 HydrophobicContact CG-CE3 4.33Å; P585-W600 HydrophobicContact CG-CH2 3.64Å; P585-W600 HydrophobicContact CG-CZ2 3.79Å; P585-W600 HydrophobicContact CG-CZ3 3.92Å; V597-W600 PolarHBondContact O-N 2.88Å; W600-M602 PolarHBondContact O-N 3.02Å; W600-G603 WeakPolarHBondContact O-CA 3.43Å; W600-G603 PolarHBondContact O-N 3.41Å; W600-I604 WeakPolarHBondContact O-CG1 3.16Å; W600-I604 PolarHBondContact O-N 3.43Å; W600-L628 HydrophobicContact CZ2-CD2 4.16Å; W600-A633 HydrophobicContact CH2-CB 4.32Å; W600-P634 HydrophobicContact CZ2-CG 4.44Å; W600-L654 HydrophobicContact CD2-CD2 3.89Å; W600-L654 HydrophobicContact CE3-CD2 4.11Å; W600-L654 HydrophobicContact CG-CD2 4.3Å; W600-L654 HydrophobicContact CZ2-CD2 4.36Å; W600-L654 HydrophobicContact CZ3-CB 4.37Å; W600-L654 HydrophobicContact CZ3-CD2 4.45Å; W600-L654 VanDerWaalsContact CZ3-O 3.22Å; W600-L654 WeakPolarHBondContact CZ3-O 3.38Å; W600-R656 HydrophobicContact CH2-CG 4.12Å; W600-R656 HydrophobicContact CZ3-CG 3.94Å
601	S	98.8	Very high	97.7	Very high	7 Å²	7	11.6 Å²	11.6	5%	0.049	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-35.2	177.8	-59.5	0	0	0	0	112.3	W582 V597 D598 I604 M605	W582-S601 WeakPolarHBondContact O-CA 3.24Å; W582-S601 WeakPolarHBondContact O-CB 3.17Å; W582-S601 PolarHBondContact O-OG 3.27Å; V597-S601 PolarHBondContact O-N 2.63Å; V597-S601 VanDerWaalsContact O-N 3.11Å; V597-S601 PolarHBondContact O-OG 2.97Å; D598-S601 PolarHBondContact O-N 2.97Å; S601-I604 PolarHBondContact O-N 3.34Å; S601-M605 PolarHBondContact O-N 3.21Å
602	M	98.6	Very high	97.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-45.1	170.3	-172.4	66.3	-166.9	0	0	112	C522 V525 I542 D598 V599 W600 I604 M605 V606 M653	C522-M602 HydrophobicContact CB-CE 3.94Å; C522-M602 VanDerWaalsContact SG-CE 3.6Å; V525-M602 HydrophobicContact CB-CE 3.98Å; V525-M602 HydrophobicContact CB-SD 4.05Å; V525-M602 HydrophobicContact CG1-CE 4.18Å; V525-M602 HydrophobicContact CG1-SD 3.56Å; V525-M602 VanDerWaalsContact CG1-SD 3.56Å; I542-M602 HydrophobicContact CG2-CB 4.35Å; I542-M602 HydrophobicContact CG2-SD 4.18Å; D598-M602 WeakPolarHBondContact O-CB 3.5Å; D598-M602 PolarHBondContact O-N 2.92Å; V599-M602 WeakPolarHBondContact O-CB 3.46Å; V599-M602 PolarHBondContact O-N 3.21Å; W600-M602 PolarHBondContact O-N 3.02Å; M602-I604 VanDerWaalsContact C-N 3.3Å; M602-I604 PolarHBondContact O-N 3.12Å; M602-M605 HydrophobicContact CE-CE 3.62Å; M602-M605 CarbonylContact O-C 3.55Å; M602-M605 WeakPolarHBondContact O-CA 3.5Å; M602-M605 WeakPolarHBondContact O-CB 3.23Å; M602-M605 PolarHBondContact O-N 2.97Å; M602-M605 VanDerWaalsContact O-N 3.08Å; M602-M605 HydrophobicContact SD-CE 3.61Å; M602-V606 WeakPolarHBondContact O-CG2 3.42Å; M602-V606 PolarHBondContact O-N 3.22Å; M602-M653 HydrophobicContact CB-SD 4.33Å; M602-M653 HydrophobicContact CG-CE 3.68Å; M602-M653 HydrophobicContact CG-SD 3.95Å
603	G	98.7	Very high	97.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.5	-37.2	173.9	0	0	0	0	0	113.1	V599 W600 M605 V606 V607 L650 M653	V599-G603 PolarHBondContact O-N 3.3Å; W600-G603 WeakPolarHBondContact O-CA 3.43Å; W600-G603 PolarHBondContact O-N 3.41Å; G603-M605 VanDerWaalsContact C-N 3.35Å; G603-V606 PolarHBondContact O-N 3.18Å; G603-V607 PolarHBondContact O-N 3.48Å; G603-V607 VanDerWaalsContact O-N 3.1Å; G603-L650 VanDerWaalsContact O-CD1 3.27Å; G603-L650 WeakPolarHBondContact O-CD1 3.42Å; G603-M653 VanDerWaalsContact CA-SD 3.58Å
604	I	98.6	Very high	97.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.9	-39.1	172.9	-58.8	-64.1	0	0	0	111.2	W582 W600 S601 M602 V606 V607 E608 P614 P615 L628 P634 L654	W582-I604 HydrophobicContact CB-CB 4.41Å; W582-I604 HydrophobicContact CB-CG2 4.28Å; W582-I604 VanDerWaalsContact CD1-CG2 3.45Å; W582-I604 HydrophobicContact CD2-CG2 4.46Å; W582-I604 HydrophobicContact CG-CB 4.27Å; W582-I604 HydrophobicContact CG-CG2 3.8Å; W600-I604 WeakPolarHBondContact O-CG1 3.16Å; W600-I604 PolarHBondContact O-N 3.43Å; S601-I604 PolarHBondContact O-N 3.34Å; M602-I604 VanDerWaalsContact C-N 3.3Å; M602-I604 PolarHBondContact O-N 3.12Å; I604-V606 VanDerWaalsContact C-N 3.28Å; I604-V606 PolarHBondContact O-N 2.88Å; I604-V607 WeakPolarHBondContact O-CB 3.5Å; I604-V607 PolarHBondContact O-N 3.21Å; I604-E608 WeakPolarHBondContact O-CB 3.03Å; I604-E608 PolarHBondContact O-N 2.86Å; I604-P614 HydrophobicContact CG2-CB 3.98Å; I604-P615 HydrophobicContact CD1-CG 3.82Å; I604-P615 HydrophobicContact CG2-CG 4.3Å; I604-L628 HydrophobicContact CD1-CD2 4.23Å; I604-P634 HydrophobicContact CD1-CG 3.66Å; I604-L654 HydrophobicContact CD1-CD2 3.79Å; I604-L654 HydrophobicContact CG1-CD2 4.06Å
605	M	98.3	Very high	97.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.3	-28.3	174	-163.6	-174	81.4	0	0	112.6	L504 V521 V525 I542 I547 S601 M602 G603 E608 M609	L504-M605 HydrophobicContact CD2-CE 4.42Å; L504-M605 HydrophobicContact CD2-SD 4.47Å; V521-M605 HydrophobicContact CG1-CE 4.04Å; V525-M605 HydrophobicContact CG2-CE 4.46Å; I542-M605 HydrophobicContact CG2-SD 4.29Å; I547-M605 HydrophobicContact CD1-SD 4.28Å; I547-M605 HydrophobicContact CG1-CE 4.04Å; I547-M605 HydrophobicContact CG1-SD 3.49Å; I547-M605 WeakPolarHBondContact CG1-SD 3.18Å; S601-M605 PolarHBondContact O-N 3.21Å; M602-M605 HydrophobicContact CE-CE 3.62Å; M602-M605 CarbonylContact O-C 3.55Å; M602-M605 WeakPolarHBondContact O-CA 3.5Å; M602-M605 WeakPolarHBondContact O-CB 3.23Å; M602-M605 PolarHBondContact O-N 2.97Å; M602-M605 VanDerWaalsContact O-N 3.08Å; M602-M605 HydrophobicContact SD-CE 3.61Å; G603-M605 VanDerWaalsContact C-N 3.35Å; M605-E608 WeakPolarHBondContact O-CB 3.3Å; M605-E608 PolarHBondContact O-N 3.32Å; M605-M609 HydrophobicContact CE-CE 3.85Å; M605-M609 WeakPolarHBondContact O-CG 3.47Å; M605-M609 PolarHBondContact O-N 2.95Å
606	V	98.3	Very high	97.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69.6	-39.8	170.9	173.3	0	0	0	0	111.6	M602 G603 I604 E608 M609 V610 L646 L650 M653	M602-V606 WeakPolarHBondContact O-CG2 3.42Å; M602-V606 PolarHBondContact O-N 3.22Å; G603-V606 PolarHBondContact O-N 3.18Å; I604-V606 VanDerWaalsContact C-N 3.28Å; I604-V606 PolarHBondContact O-N 2.88Å; V606-E608 VanDerWaalsContact C-N 3.33Å; V606-M609 HydrophobicContact CB-CE 4.44Å; V606-M609 HydrophobicContact CG2-CE 3.9Å; V606-M609 PolarHBondContact O-N 3.04Å; V606-V610 WeakPolarHBondContact O-CG2 3.22Å; V606-V610 PolarHBondContact O-N 3.15Å; V606-L646 HydrophobicContact CG1-CD1 3.76Å; V606-L650 HydrophobicContact CB-CD1 4.06Å; V606-L650 HydrophobicContact CG1-CD1 4.01Å; V606-M653 HydrophobicContact CG2-SD 4.06Å
607	V	97.4	Very high	97	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-45.1	170.5	176.4	0	0	0	0	110.7	G603 I604 M609 V610 D611 V636 L650 L654	G603-V607 PolarHBondContact O-N 3.48Å; G603-V607 VanDerWaalsContact O-N 3.1Å; I604-V607 WeakPolarHBondContact O-CB 3.5Å; I604-V607 PolarHBondContact O-N 3.21Å; V607-M609 VanDerWaalsContact C-N 3.33Å; V607-M609 PolarHBondContact O-N 2.7Å; V607-V610 PolarHBondContact O-N 3.3Å; V607-V610 VanDerWaalsContact O-N 3.1Å; V607-D611 PolarHBondContact O-N 3.03Å; V607-V636 HydrophobicContact CB-CG1 4.46Å; V607-V636 HydrophobicContact CG1-CG1 4.37Å; V607-V636 HydrophobicContact CG2-CG1 4.21Å; V607-L650 HydrophobicContact CG2-CD1 4.09Å; V607-L650 HydrophobicContact CG2-CD2 4.03Å; V607-L654 HydrophobicContact CG2-CD1 4.16Å
608	E	96.1	Very high	96.7	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-39.6	176.8	-177.9	-178.8	-166.1	0	0	112.7	V508 S544 W582 I604 M605 V606 V610 G612	V508-E608 HydrophobicContact CG2-CG 4.27Å; S544-E608 WeakPolarHBondContact CB-OE1 3.47Å; S544-E608 PolarHBondContact N-OE2 2.99Å; S544-E608 PolarHBondContact OG-OE1 2.83Å; W582-E608 WeakPolarHBondContact CZ2-OE1 3.38Å; W582-E608 PolarHBondContact NE1-OE2 3.11Å; I604-E608 WeakPolarHBondContact O-CB 3.03Å; I604-E608 PolarHBondContact O-N 2.86Å; M605-E608 WeakPolarHBondContact O-CB 3.3Å; M605-E608 PolarHBondContact O-N 3.32Å; V606-E608 VanDerWaalsContact C-N 3.33Å; E608-V610 VanDerWaalsContact C-N 3.31Å; E608-V610 PolarHBondContact O-N 3.37Å; E608-G612 WeakPolarHBondContact O-CA 3.49Å; E608-G612 PolarHBondContact O-N 2.7Å
609	M	97	Very high	96.5	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.02	10%	0.103	C	C	.	.	H	α-helix	trans	-68	-22.8	175.2	-78.6	-173.4	-73	0	0	114.6	L504 V508 L513 I518 V521 M605 V606 V607	L504-M609 HydrophobicContact CD2-CG 4.3Å; L504-M609 HydrophobicContact CD2-SD 4.05Å; V508-M609 HydrophobicContact CG1-CB 4.42Å; V508-M609 HydrophobicContact CG1-CG 3.84Å; L513-M609 HydrophobicContact CD1-CB 4.05Å; L513-M609 HydrophobicContact CD1-CG 3.77Å; L513-M609 HydrophobicContact CD1-SD 3.79Å; I518-M609 HydrophobicContact CD1-CB 4.31Å; I518-M609 HydrophobicContact CG1-CB 4.14Å; I518-M609 HydrophobicContact CG1-SD 4.43Å; I518-M609 HydrophobicContact CG2-CE 4.06Å; I518-M609 HydrophobicContact CG2-SD 4.43Å; V521-M609 HydrophobicContact CB-SD 4.05Å; V521-M609 HydrophobicContact CG1-CE 4.24Å; V521-M609 HydrophobicContact CG1-SD 3.8Å; V521-M609 HydrophobicContact CG2-SD 4.5Å; M605-M609 HydrophobicContact CE-CE 3.85Å; M605-M609 WeakPolarHBondContact O-CG 3.47Å; M605-M609 PolarHBondContact O-N 2.95Å; V606-M609 HydrophobicContact CB-CE 4.44Å; V606-M609 HydrophobicContact CG2-CE 3.9Å; V606-M609 PolarHBondContact O-N 3.04Å; V607-M609 VanDerWaalsContact C-N 3.33Å; V607-M609 PolarHBondContact O-N 2.7Å
610	V	95.9	Very high	96.3	Very high	17 Å²	17	21.8 Å²	21.8	10%	0.103	13%	0.128	C	C	.	.	H	α-helix	trans	-95.5	-45.8	-179.8	174.2	0	0	0	0	112.2	I518 V606 V607 E608 V636 I642 L646	I518-V610 HydrophobicContact CD1-CG2 3.79Å; V606-V610 WeakPolarHBondContact O-CG2 3.22Å; V606-V610 PolarHBondContact O-N 3.15Å; V607-V610 PolarHBondContact O-N 3.3Å; V607-V610 VanDerWaalsContact O-N 3.1Å; E608-V610 VanDerWaalsContact C-N 3.31Å; E608-V610 PolarHBondContact O-N 3.37Å; V610-V636 HydrophobicContact CB-CG1 3.87Å; V610-V636 HydrophobicContact CG1-CB 4.11Å; V610-V636 HydrophobicContact CG1-CG1 3.81Å; V610-V636 HydrophobicContact CG2-CG1 4.28Å; V610-I642 HydrophobicContact CG1-CG2 3.82Å; V610-I642 HydrophobicContact CG2-CG2 4.15Å; V610-L646 HydrophobicContact CG2-CD2 4.28Å
611	D	93.9	Very high	96.1	Very high	23 Å²	23	23.6 Å²	23.6	12%	0.123	14%	0.14	C	C	.	.	H	α-helix	trans	-94.7	-13.3	-175.2	-77.4	-35.1	0	0	0	113.9	V607 E613 V636 R637	V607-D611 PolarHBondContact O-N 3.03Å; D611-E613 VanDerWaalsContact C-N 3.28Å; D611-E613 PolarHBondContact O-N 2.72Å; D611-V636 VanDerWaalsContact OD2-CA 3.28Å; D611-V636 WeakPolarHBondContact OD2-CA 3.47Å; D611-R637 WeakPolarHBondContact OD1-CB 3.46Å; D611-R637 PolarHBondContact OD1-N 2.8Å; D611-R637 WeakPolarHBondContact OD2-CG 3.38Å; D611-R637 PolarHBondContact OD2-N 2.67Å
612	G	93.6	Very high	95.7	Very high	27 Å²	27	25.1 Å²	25.1	28%	0.278	15%	0.148	S	C	.	.	S	Bend	trans	83.1	-8.9	-180	0	0	0	0	0	115.3	V508 E608	V508-G612 WeakPolarHBondContact O-CA 3.45Å; E608-G612 WeakPolarHBondContact O-CA 3.49Å; E608-G612 PolarHBondContact O-N 2.7Å
613	E	94.2	Very high	95.6	Very high	39 Å²	39	26.5 Å²	26.5	18%	0.182	16%	0.16	C	C	.	.	S	Bend	trans	-148.8	149	173.7	64.9	-172.9	161.3	0	0	109.8	K102 D611 F617 R637	K102-E613 IonicContact NZ-OE2 3.16Å; D611-E613 VanDerWaalsContact C-N 3.28Å; D611-E613 PolarHBondContact O-N 2.72Å; E613-F617 HydrophobicContact CB-CB 4.18Å; E613-F617 HydrophobicContact CB-CD1 4.05Å; E613-F617 HydrophobicContact CB-CG 4.22Å; E613-F617 HydrophobicContact CG-CB 4.31Å; E613-F617 VanDerWaalsContact OE2-CD1 3.3Å; E613-F617 WeakPolarHBondContact OE2-CD1 3.32Å; E613-R637 VanDerWaalsContact CD-NH2 3.28Å; E613-R637 VanDerWaalsContact CG-NH2 3.3Å; E613-R637 IonicContact OE1-CZ 2.8Å; E613-R637 IonicContact OE1-NH1 3.25Å; E613-R637 PolarHBondContact OE1-NH1 2.77Å; E613-R637 IonicContact OE1-NH2 2.85Å; E613-R637 PolarHBondContact OE1-NH2 2.94Å
614	P	95.9	Very high	95.5	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.019	16%	0.16	C	C	.	.			trans	-65.8	163	178.9	29.3	-37.3	0	0	0	112.2	W582 I604 F617	W582-P614 HydrophobicContact CH2-CG 3.79Å; W582-P614 HydrophobicContact CZ2-CB 4.08Å; W582-P614 HydrophobicContact CZ2-CG 3.71Å; W582-P614 HydrophobicContact CZ3-CG 4.37Å; I604-P614 HydrophobicContact CG2-CB 3.98Å; P614-F617 HydrophobicContact CG-CB 4.1Å; P614-F617 HydrophobicContact CG-CD2 3.58Å; P614-F617 HydrophobicContact CG-CE2 4.29Å; P614-F617 HydrophobicContact CG-CG 4.15Å; P614-F617 WeakPolarHBondContact O-CB 3.43Å; P614-F617 PolarHBondContact O-N 2.88Å
615	P	95.9	Very high	95.3	Very high	14 Å²	14	27.1 Å²	27.1	9%	0.091	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	142.5	176.8	27.3	-33.6	0	0	0	110.9	I604 F617 P634	I604-P615 HydrophobicContact CD1-CG 3.82Å; I604-P615 HydrophobicContact CG2-CG 4.3Å; P615-F617 PolarHBondContact O-N 2.87Å; P615-P634 HydrophobicContact CB-CB 3.69Å; P615-P634 HydrophobicContact CB-CG 4.36Å; P615-P634 HydrophobicContact CG-CB 3.78Å; P615-P634 HydrophobicContact CG-CG 3.91Å
616	Y	96.1	Very high	95.2	Very high	39 Å²	39	33 Å²	33	15%	0.153	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	15.5	-178.5	-39.2	-73.4	0	0	0	116	Y581 S618 E619 R627 L628 E631	Y581-Y616 WeakPolarHBondContact CE1-O 3.28Å; Y616-S618 PolarHBondContact O-N 2.88Å; Y616-E619 WeakPolarHBondContact O-CB 3.28Å; Y616-E619 PolarHBondContact O-N 3.33Å; Y616-R627 HydrophobicContact CD1-CB 4.16Å; Y616-R627 HydrophobicContact CD1-CG 4.45Å; Y616-R627 HydrophobicContact CD2-CB 4.22Å; Y616-R627 HydrophobicContact CE1-CB 3.82Å; Y616-R627 HydrophobicContact CE1-CG 4.32Å; Y616-R627 HydrophobicContact CE2-CB 3.9Å; Y616-R627 HydrophobicContact CG-CB 4.32Å; Y616-L628 HydrophobicContact CD2-CD2 4.27Å; Y616-L628 HydrophobicContact CD2-CG 4.15Å; Y616-L628 HydrophobicContact CE2-CD2 3.96Å; Y616-L628 HydrophobicContact CE2-CG 4.07Å; Y616-E631 PolarHBondContact OH-OE2 3.38Å
617	F	94.1	Very high	95.2	Very high	44 Å²	44	37.2 Å²	37.2	19%	0.193	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.6	-179.5	-165.8	-112.5	0	0	0	115.1	L100 Y581 E613 P614 P615 E619	L100-F617 HydrophobicContact CD2-CE2 3.6Å; L100-F617 HydrophobicContact CD2-CZ 3.8Å; Y581-F617 HydrophobicContact CD2-CD2 4.48Å; Y581-F617 HydrophobicContact CE2-CD2 4.44Å; E613-F617 HydrophobicContact CB-CB 4.18Å; E613-F617 HydrophobicContact CB-CD1 4.05Å; E613-F617 HydrophobicContact CB-CG 4.22Å; E613-F617 HydrophobicContact CG-CB 4.31Å; E613-F617 VanDerWaalsContact OE2-CD1 3.3Å; E613-F617 WeakPolarHBondContact OE2-CD1 3.32Å; P614-F617 HydrophobicContact CG-CB 4.1Å; P614-F617 HydrophobicContact CG-CD2 3.58Å; P614-F617 HydrophobicContact CG-CE2 4.29Å; P614-F617 HydrophobicContact CG-CG 4.15Å; P614-F617 WeakPolarHBondContact O-CB 3.43Å; P614-F617 PolarHBondContact O-N 2.88Å; P615-F617 PolarHBondContact O-N 2.87Å; F617-E619 VanDerWaalsContact C-N 3.27Å; F617-E619 PolarHBondContact O-N 2.83Å
618	S	93.3	Very high	95.2	Very high	96 Å²	96	37.1 Å²	37.1	67%	0.671	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.6	173	54.9	0	0	0	0	114.6	Y616	Y616-S618 PolarHBondContact O-N 2.88Å
619	E	93.8	Very high	95.2	Very high	49 Å²	49	38.3 Å²	38.3	23%	0.229	21%	0.208	C	C	.	.	S	Bend	trans	-94.3	165.2	177.6	-55.9	-170.7	-171.9	0	0	111.5	Y581 Y616 F617 A623 R627	Y581-E619 PolarHBondContact OH-O 2.95Å; Y616-E619 WeakPolarHBondContact O-CB 3.28Å; Y616-E619 PolarHBondContact O-N 3.33Å; F617-E619 VanDerWaalsContact C-N 3.27Å; F617-E619 PolarHBondContact O-N 2.83Å; E619-A623 HydrophobicContact CB-CB 4.04Å; E619-A623 WeakPolarHBondContact OE2-CB 3.32Å; E619-R627 VanDerWaalsContact CD-CD 3.48Å; E619-R627 WeakPolarHBondContact OE1-CD 3.41Å; E619-R627 IonicContact OE1-CZ 3.74Å; E619-R627 IonicContact OE1-NE 3.4Å; E619-R627 IonicContact OE1-NH1 3.15Å; E619-R627 PolarHBondContact OE1-NH1 3.29Å; E619-R627 WeakPolarHBondContact OE2-CD 3.32Å
620	T	95.1	Very high	95.1	Very high	87 Å²	87	42.5 Å²	42.5	53%	0.534	23%	0.231	S	C	.	.			trans	-62.2	148.9	170.7	66.2	0	0	0	0	109.9	V622 A623 A624	T620-V622 PolarHBondContact O-N 3.36Å; T620-A623 PolarHBondContact O-N 3.49Å; T620-A623 WeakPolarHBondContact OG1-CB 3.48Å; T620-A623 PolarHBondContact OG1-N 2.88Å; T620-A624 PolarHBondContact O-N 3.39Å
621	P	93.7	Very high	95.1	Very high	38 Å²	38	44.6 Å²	44.6	25%	0.247	24%	0.239	C	C	.	.	H	α-helix	trans	-55	-29.6	-179.3	-24	31.2	0	0	0	112.7	P580 Y581 M625	P580-P621 HydrophobicContact CB-CB 3.65Å; P580-P621 HydrophobicContact CG-CB 3.82Å; Y581-P621 HydrophobicContact CE2-CB 4.07Å; Y581-P621 HydrophobicContact CE2-CG 4Å; Y581-P621 WeakPolarHBondContact OH-CD 3.49Å; Y581-P621 WeakPolarHBondContact OH-CG 3.29Å; P621-M625 WeakPolarHBondContact O-CB 3.39Å; P621-M625 WeakPolarHBondContact O-CE 3.47Å; P621-M625 WeakPolarHBondContact O-CG 3.44Å; P621-M625 PolarHBondContact O-N 3.23Å
622	V	91.9	Very high	95.2	Very high	38 Å²	38	48.5 Å²	48.5	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-48.1	175.2	160	0	0	0	0	113.2	I86 T620 M625 K626	I86-V622 HydrophobicContact CB-CG1 4.27Å; I86-V622 HydrophobicContact CB-CG2 4.36Å; I86-V622 HydrophobicContact CD1-CB 4.43Å; I86-V622 HydrophobicContact CD1-CG1 3.26Å; I86-V622 HydrophobicContact CG1-CB 4.23Å; I86-V622 HydrophobicContact CG1-CG1 3.48Å; I86-V622 VanDerWaalsContact CG1-CG1 3.48Å; I86-V622 HydrophobicContact CG1-CG2 3.83Å; I86-V622 HydrophobicContact CG2-CG1 3.81Å; I86-V622 HydrophobicContact CG2-CG2 4.04Å; T620-V622 PolarHBondContact O-N 3.36Å; V622-M625 HydrophobicContact CG2-CE 4.49Å; V622-K626 PolarHBondContact O-N 3.43Å; V622-K626 VanDerWaalsContact O-N 3.1Å
623	A	95.5	Very high	95.3	Very high	30 Å²	30	49.2 Å²	49.2	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-69.1	-43.4	177.4	0	0	0	0	0	110.4	E619 T620 M625 K626 R627	E619-A623 HydrophobicContact CB-CB 4.04Å; E619-A623 WeakPolarHBondContact OE2-CB 3.32Å; T620-A623 PolarHBondContact O-N 3.49Å; T620-A623 WeakPolarHBondContact OG1-CB 3.48Å; T620-A623 PolarHBondContact OG1-N 2.88Å; A623-M625 PolarHBondContact O-N 3.02Å; A623-K626 WeakPolarHBondContact O-CA 3.36Å; A623-K626 VanDerWaalsContact O-CB 3.32Å; A623-K626 WeakPolarHBondContact O-CB 3.46Å; A623-K626 PolarHBondContact O-N 2.96Å; A623-R627 WeakPolarHBondContact O-CG 3.36Å; A623-R627 PolarHBondContact O-N 3.19Å
624	A	96.2	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-54.6	-49.3	173.1	0	0	0	0	0	112.6	Y581 T620 K626 R627 L628	Y581-A624 HydrophobicContact CD1-CB 3.38Å; Y581-A624 HydrophobicContact CE1-CB 3.45Å; Y581-A624 VanDerWaalsContact CE1-CB 3.45Å; Y581-A624 HydrophobicContact CG-CB 4.37Å; T620-A624 PolarHBondContact O-N 3.39Å; A624-K626 VanDerWaalsContact C-N 3.31Å; A624-K626 PolarHBondContact O-N 3.34Å; A624-R627 PolarHBondContact O-N 3.09Å; A624-R627 VanDerWaalsContact O-N 3.14Å; A624-L628 WeakPolarHBondContact O-CB 3.12Å; A624-L628 WeakPolarHBondContact O-CG 3.47Å; A624-L628 PolarHBondContact O-N 3.27Å
625	M	96.4	Very high	95.3	Very high	13 Å²	13	50.8 Å²	50.8	6%	0.064	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-39.3	173.5	-80.5	-175.2	-63.8	0	0	112.8	M89 P580 M583 I588 P621 V622 A623 R629	M89-M625 HydrophobicContact CE-CE 4.01Å; M89-M625 HydrophobicContact SD-CE 4.04Å; P580-M625 HydrophobicContact CB-CE 4.13Å; P580-M625 HydrophobicContact CB-CG 3.84Å; P580-M625 HydrophobicContact CB-SD 3.94Å; P580-M625 HydrophobicContact CG-CE 4.29Å; P580-M625 HydrophobicContact CG-SD 4.3Å; M583-M625 HydrophobicContact CE-SD 4.26Å; M583-M625 HydrophobicContact SD-CG 4.38Å; M583-M625 HydrophobicContact SD-SD 3.72Å; I588-M625 HydrophobicContact CD1-CB 4.18Å; I588-M625 HydrophobicContact CD1-CG 4.14Å; I588-M625 HydrophobicContact CG1-CB 4.38Å; I588-M625 HydrophobicContact CG1-CG 4.17Å; I588-M625 HydrophobicContact CG2-CB 4.01Å; P621-M625 WeakPolarHBondContact O-CB 3.39Å; P621-M625 WeakPolarHBondContact O-CE 3.47Å; P621-M625 WeakPolarHBondContact O-CG 3.44Å; P621-M625 PolarHBondContact O-N 3.23Å; V622-M625 HydrophobicContact CG2-CE 4.49Å; A623-M625 PolarHBondContact O-N 3.02Å; M625-R629 WeakPolarHBondContact O-CB 3.31Å; M625-R629 PolarHBondContact O-N 3.3Å; M625-R629 VanDerWaalsContact O-N 3.09Å
626	K	95.6	Very high	95.2	Very high	123 Å²	123	50.2 Å²	50.2	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-45.2	175.4	-174.5	-174.7	176.4	-173	0	110.8	V622 A623 A624 R629 D630	V622-K626 PolarHBondContact O-N 3.43Å; V622-K626 VanDerWaalsContact O-N 3.1Å; A623-K626 WeakPolarHBondContact O-CA 3.36Å; A623-K626 VanDerWaalsContact O-CB 3.32Å; A623-K626 WeakPolarHBondContact O-CB 3.46Å; A623-K626 PolarHBondContact O-N 2.96Å; A624-K626 VanDerWaalsContact C-N 3.31Å; A624-K626 PolarHBondContact O-N 3.34Å; K626-R629 PolarHBondContact O-N 3.34Å; K626-D630 VanDerWaalsContact CG-OD2 3.28Å; K626-D630 WeakPolarHBondContact CG-OD2 3.41Å; K626-D630 VanDerWaalsContact O-CB 3.32Å; K626-D630 WeakPolarHBondContact O-CB 3.36Å; K626-D630 VanDerWaalsContact O-CG 3.3Å; K626-D630 PolarHBondContact O-N 2.96Å
627	R	97.2	Very high	95	Very high	88 Å²	88	54.9 Å²	54.9	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-50	179.7	-63.2	-170.1	74.9	155.6	9.3	111.9	Y616 E619 A623 A624 R629 D630 E631	Y616-R627 HydrophobicContact CD1-CB 4.16Å; Y616-R627 HydrophobicContact CD1-CG 4.45Å; Y616-R627 HydrophobicContact CD2-CB 4.22Å; Y616-R627 HydrophobicContact CE1-CB 3.82Å; Y616-R627 HydrophobicContact CE1-CG 4.32Å; Y616-R627 HydrophobicContact CE2-CB 3.9Å; Y616-R627 HydrophobicContact CG-CB 4.32Å; E619-R627 VanDerWaalsContact CD-CD 3.48Å; E619-R627 WeakPolarHBondContact OE1-CD 3.41Å; E619-R627 IonicContact OE1-CZ 3.74Å; E619-R627 IonicContact OE1-NE 3.4Å; E619-R627 IonicContact OE1-NH1 3.15Å; E619-R627 PolarHBondContact OE1-NH1 3.29Å; E619-R627 WeakPolarHBondContact OE2-CD 3.32Å; A623-R627 WeakPolarHBondContact O-CG 3.36Å; A623-R627 PolarHBondContact O-N 3.19Å; A624-R627 PolarHBondContact O-N 3.09Å; A624-R627 VanDerWaalsContact O-N 3.14Å; R627-R629 PolarHBondContact O-N 3.07Å; R627-R629 VanDerWaalsContact O-N 3.13Å; R627-D630 PolarHBondContact O-N 3.03Å; R627-D630 VanDerWaalsContact O-N 3.11Å; R627-E631 HydrophobicContact CB-CG 4.28Å; R627-E631 IonicContact CZ-OE1 2.67Å; R627-E631 VanDerWaalsContact CZ-OE1 3.28Å; R627-E631 IonicContact CZ-OE2 2.7Å; R627-E631 IonicContact NE-OE1 3.73Å; R627-E631 PolarHBondContact NE-OE1 2.98Å; R627-E631 IonicContact NE-OE2 2.72Å; R627-E631 PolarHBondContact NE-OE2 2.85Å; R627-E631 VanDerWaalsContact NH2-CD 3.33Å; R627-E631 IonicContact NH2-OE1 2.77Å; R627-E631 PolarHBondContact NH2-OE1 2.82Å; R627-E631 IonicContact NH2-OE2 3.25Å; R627-E631 PolarHBondContact NH2-OE2 2.67Å; R627-E631 VanDerWaalsContact O-CB 3.28Å; R627-E631 WeakPolarHBondContact O-CB 3.3Å; R627-E631 PolarHBondContact O-N 3.3Å
628	L	97.1	Very high	94.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-52.4	-36.7	174	-71.1	166	0	0	0	112.6	Y581 P585 I588 W600 I604 Y616 A624 P634 R656	Y581-L628 WeakPolarHBondContact O-CD1 3.45Å; P585-L628 WeakPolarHBondContact CG-O 3.29Å; I588-L628 HydrophobicContact CD1-CB 3.76Å; I588-L628 HydrophobicContact CD1-CD1 4.39Å; W600-L628 HydrophobicContact CZ2-CD2 4.16Å; I604-L628 HydrophobicContact CD1-CD2 4.23Å; Y616-L628 HydrophobicContact CD2-CD2 4.27Å; Y616-L628 HydrophobicContact CD2-CG 4.15Å; Y616-L628 HydrophobicContact CE2-CD2 3.96Å; Y616-L628 HydrophobicContact CE2-CG 4.07Å; A624-L628 WeakPolarHBondContact O-CB 3.12Å; A624-L628 WeakPolarHBondContact O-CG 3.47Å; A624-L628 PolarHBondContact O-N 3.27Å; L628-P634 HydrophobicContact CD2-CG 4.04Å; L628-R656 PolarHBondContact O-NH1 3.38Å
629	R	96.4	Very high	94.6	Very high	32 Å²	32	54.6 Å²	54.6	12%	0.121	29%	0.29	C	S	.	.	H	α-helix	trans	-77.3	-46.5	174.5	-170.7	-169.4	60.3	-103.3	-11.3	113.6	I588 S589 M625 K626 R627 R656	I588-R629 HydrophobicContact CB-CB 4.35Å; I588-R629 HydrophobicContact CG2-CB 3.98Å; S589-R629 VanDerWaalsContact OG-CD 3.3Å; S589-R629 WeakPolarHBondContact OG-CD 3.41Å; S589-R629 WeakPolarHBondContact OG-CG 3.31Å; M625-R629 WeakPolarHBondContact O-CB 3.31Å; M625-R629 PolarHBondContact O-N 3.3Å; M625-R629 VanDerWaalsContact O-N 3.09Å; K626-R629 PolarHBondContact O-N 3.34Å; R627-R629 PolarHBondContact O-N 3.07Å; R627-R629 VanDerWaalsContact O-N 3.13Å; R629-R656 PolarHBondContact O-NH2 3.3Å
630	D	95.3	Very high	94.5	Very high	92 Å²	92	57.8 Å²	57.8	49%	0.492	32%	0.318	S	S	.	.	H	α-helix	trans	-95.6	-19.1	-164.7	-61	-19	0	0	0	114.4	K626 R627	K626-D630 VanDerWaalsContact CG-OD2 3.28Å; K626-D630 WeakPolarHBondContact CG-OD2 3.41Å; K626-D630 VanDerWaalsContact O-CB 3.32Å; K626-D630 WeakPolarHBondContact O-CB 3.36Å; K626-D630 VanDerWaalsContact O-CG 3.3Å; K626-D630 PolarHBondContact O-N 2.96Å; R627-D630 PolarHBondContact O-N 3.03Å; R627-D630 VanDerWaalsContact O-N 3.11Å
631	E	96.3	Very high	94.1	Very high	61 Å²	61	58.8 Å²	58.8	29%	0.285	32%	0.317	S	S	.	.	S	Bend	trans	-99.4	172.1	-176.7	-63.5	-168.5	158.1	0	0	113.1	Y616 R627 R656	Y616-E631 PolarHBondContact OH-OE2 3.38Å; R627-E631 HydrophobicContact CB-CG 4.28Å; R627-E631 IonicContact CZ-OE1 2.67Å; R627-E631 VanDerWaalsContact CZ-OE1 3.28Å; R627-E631 IonicContact CZ-OE2 2.7Å; R627-E631 IonicContact NE-OE1 3.73Å; R627-E631 PolarHBondContact NE-OE1 2.98Å; R627-E631 IonicContact NE-OE2 2.72Å; R627-E631 PolarHBondContact NE-OE2 2.85Å; R627-E631 VanDerWaalsContact NH2-CD 3.33Å; R627-E631 IonicContact NH2-OE1 2.77Å; R627-E631 PolarHBondContact NH2-OE1 2.82Å; R627-E631 IonicContact NH2-OE2 3.25Å; R627-E631 PolarHBondContact NH2-OE2 2.67Å; R627-E631 VanDerWaalsContact O-CB 3.28Å; R627-E631 WeakPolarHBondContact O-CB 3.3Å; R627-E631 PolarHBondContact O-N 3.3Å; E631-R656 VanDerWaalsContact O-CZ 3.28Å; E631-R656 PolarHBondContact O-NH1 3.5Å
632	P	96.1	Very high	94.2	Very high	105 Å²	105	57.9 Å²	57.9	68%	0.682	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-54.2	167.5	165.9	-26.5	37.2	0	0	0	113.1
633	A	96	Very high	94.5	Very high	42 Å²	42	57.5 Å²	57.5	35%	0.347	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-59.2	138.6	173.8	0	0	0	0	0	110.5	W600 L654 R656	W600-A633 HydrophobicContact CH2-CB 4.32Å; A633-L654 HydrophobicContact CB-CB 4.25Å; A633-L654 WeakPolarHBondContact CB-O 3.34Å; A633-R656 HydrophobicContact CB-CG 4.18Å
634	P	95.3	Very high	94.6	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.084	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-67.4	160.4	173.9	28.8	-32.2	0	0	0	110.6	W600 I604 P615 L628 L654	W600-P634 HydrophobicContact CZ2-CG 4.44Å; I604-P634 HydrophobicContact CD1-CG 3.66Å; P615-P634 HydrophobicContact CB-CB 3.69Å; P615-P634 HydrophobicContact CB-CG 4.36Å; P615-P634 HydrophobicContact CG-CB 3.78Å; P615-P634 HydrophobicContact CG-CG 3.91Å; L628-P634 HydrophobicContact CD2-CG 4.04Å; P634-L654 HydrophobicContact CG-CD1 4.2Å; P634-L654 VanDerWaalsContact O-CD1 3.26Å; P634-L654 WeakPolarHBondContact O-CD1 3.33Å
635	T	94	Very high	94.7	Very high	62 Å²	62	64.2 Å²	64.2	38%	0.38	35%	0.349	S	S	.	.			trans	-147.6	170.1	174.4	-163.3	0	0	0	0	109.2	V639	T635-V639 HydrophobicContact CG2-CG2 3.99Å
636	V	94.1	Very high	94.8	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.018	35%	0.346	C	S	.	.			trans	-65.1	147.4	-179.8	-61.8	0	0	0	0	111.7	V607 V610 D611 N638 V639 I642 L650	V607-V636 HydrophobicContact CB-CG1 4.46Å; V607-V636 HydrophobicContact CG1-CG1 4.37Å; V607-V636 HydrophobicContact CG2-CG1 4.21Å; V610-V636 HydrophobicContact CB-CG1 3.87Å; V610-V636 HydrophobicContact CG1-CB 4.11Å; V610-V636 HydrophobicContact CG1-CG1 3.81Å; V610-V636 HydrophobicContact CG2-CG1 4.28Å; D611-V636 VanDerWaalsContact OD2-CA 3.28Å; D611-V636 WeakPolarHBondContact OD2-CA 3.47Å; V636-N638 VanDerWaalsContact C-N 3.32Å; V636-N638 PolarHBondContact O-N 2.73Å; V636-V639 HydrophobicContact CG2-CG2 4.15Å; V636-V639 WeakPolarHBondContact O-CG2 3.46Å; V636-I642 HydrophobicContact CG2-CD1 3.63Å; V636-I642 HydrophobicContact CG2-CG1 4.01Å; V636-I642 HydrophobicContact CG2-CG2 4.25Å; V636-L650 HydrophobicContact CG1-CD2 4.04Å
637	R	91.4	Very high	94.9	Very high	137 Å²	137	61 Å²	61	52%	0.517	34%	0.335	S	S	.	.	S	Bend	trans	-60.4	-40.5	-174.2	-68.1	162.9	-175.1	-166	-5.4	112.7	D611 E613	D611-R637 WeakPolarHBondContact OD1-CB 3.46Å; D611-R637 PolarHBondContact OD1-N 2.8Å; D611-R637 WeakPolarHBondContact OD2-CG 3.38Å; D611-R637 PolarHBondContact OD2-N 2.67Å; E613-R637 VanDerWaalsContact CD-NH2 3.28Å; E613-R637 VanDerWaalsContact CG-NH2 3.3Å; E613-R637 IonicContact OE1-CZ 2.8Å; E613-R637 IonicContact OE1-NH1 3.25Å; E613-R637 PolarHBondContact OE1-NH1 2.77Å; E613-R637 IonicContact OE1-NH2 2.85Å; E613-R637 PolarHBondContact OE1-NH2 2.94Å
638	N	88.8	Confident	95	Very high	75 Å²	75	60 Å²	60	40%	0.401	34%	0.336	S	S	.	.			trans	-115.5	83.8	176.2	-73.9	-31.6	0	0	0	110.2	V636 S640 Q641	V636-N638 VanDerWaalsContact C-N 3.32Å; V636-N638 PolarHBondContact O-N 2.73Å; N638-S640 PolarHBondContact O-N 3.23Å; N638-S640 VanDerWaalsContact O-N 3.07Å; N638-Q641 HydrophobicContact CB-CB 4.07Å; N638-Q641 HydrophobicContact CB-CG 3.79Å; N638-Q641 PolarHBondContact ND2-NE2 2.9Å; N638-Q641 PolarHBondContact ND2-OE1 3.36Å; N638-Q641 WeakPolarHBondContact O-CB 3.39Å; N638-Q641 PolarHBondContact O-N 3.41Å
639	V	91.6	Very high	95	Very high	58 Å²	58	60 Å²	60	35%	0.352	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-57.8	-22.5	176.2	-175.1	0	0	0	0	112.5	T635 V636 Q641 I642 K647	T635-V639 HydrophobicContact CG2-CG2 3.99Å; V636-V639 HydrophobicContact CG2-CG2 4.15Å; V636-V639 WeakPolarHBondContact O-CG2 3.46Å; V639-Q641 VanDerWaalsContact C-N 3.29Å; V639-Q641 PolarHBondContact O-N 3.42Å; V639-I642 WeakPolarHBondContact O-CG1 3.48Å; V639-K647 HydrophobicContact CG1-CD 4.13Å; V639-K647 HydrophobicContact CG1-CG 4.37Å
640	S	89.9	Confident	95.1	Very high	116 Å²	116	58.5 Å²	58.5	81%	0.811	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-76	-5.7	173	52.7	0	0	0	0	115.2	N638	N638-S640 PolarHBondContact O-N 3.23Å; N638-S640 VanDerWaalsContact O-N 3.07Å
641	Q	88.4	Confident	95.3	Very high	108 Å²	108	57.3 Å²	57.3	51%	0.505	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-99.8	-1.4	176.6	-70.4	-177.7	-10.9	0	0	113.4	N638 V639	N638-Q641 HydrophobicContact CB-CB 4.07Å; N638-Q641 HydrophobicContact CB-CG 3.79Å; N638-Q641 PolarHBondContact ND2-NE2 2.9Å; N638-Q641 PolarHBondContact ND2-OE1 3.36Å; N638-Q641 WeakPolarHBondContact O-CB 3.39Å; N638-Q641 PolarHBondContact O-N 3.41Å; V639-Q641 VanDerWaalsContact C-N 3.29Å; V639-Q641 PolarHBondContact O-N 3.42Å
642	I	95.6	Very high	95.4	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.097	33%	0.33	C	S	.	.	S	Bend	trans	-114.9	152.2	174.9	59.8	164.4	0	0	0	111	V610 V636 V639 L646 K647	V610-I642 HydrophobicContact CG1-CG2 3.82Å; V610-I642 HydrophobicContact CG2-CG2 4.15Å; V636-I642 HydrophobicContact CG2-CD1 3.63Å; V636-I642 HydrophobicContact CG2-CG1 4.01Å; V636-I642 HydrophobicContact CG2-CG2 4.25Å; V639-I642 WeakPolarHBondContact O-CG1 3.48Å; I642-L646 HydrophobicContact CB-CB 4.39Å; I642-L646 HydrophobicContact CB-CD2 3.87Å; I642-L646 HydrophobicContact CB-CG 4.15Å; I642-L646 HydrophobicContact CD1-CG 4.36Å; I642-L646 HydrophobicContact CG2-CD2 3.66Å; I642-L646 HydrophobicContact CG2-CG 4.3Å; I642-K647 HydrophobicContact CD1-CB 3.89Å; I642-K647 HydrophobicContact CD1-CG 4.12Å
643	S	97.6	Very high	95.5	Very high	31 Å²	31	54.6 Å²	54.6	22%	0.217	30%	0.297	C	S	.	.			trans	-66.5	153.7	174.6	75.5	0	0	0	0	111.3	E515 V645 L646 K647	E515-S643 VanDerWaalsContact OE1-CB 3.29Å; E515-S643 WeakPolarHBondContact OE1-CB 3.36Å; E515-S643 PolarHBondContact OE1-N 3.1Å; E515-S643 PolarHBondContact OE1-OG 2.91Å; E515-S643 VanDerWaalsContact OE2-CB 3.3Å; E515-S643 WeakPolarHBondContact OE2-CB 3.47Å; E515-S643 PolarHBondContact OE2-OG 2.99Å; S643-V645 PolarHBondContact O-N 3.15Å; S643-V645 VanDerWaalsContact O-N 3.14Å; S643-V645 PolarHBondContact OG-N 3.45Å; S643-L646 PolarHBondContact O-N 3.43Å; S643-L646 WeakPolarHBondContact OG-CB 3.46Å; S643-L646 PolarHBondContact OG-N 2.93Å; S643-K647 PolarHBondContact O-N 3.49Å
644	P	97.6	Very high	95.6	Very high	112 Å²	112	52.9 Å²	52.9	73%	0.727	28%	0.282	S	S	*	.	H	α-helix	trans	-57.2	-25.5	170.7	-25.3	35.2	0	0	0	113.3	D648	P644-D648 PolarHBondContact O-N 3.24Å
645	V	98.3	Very high	95.8	Very high	59 Å²	59	54.2 Å²	54.2	36%	0.358	29%	0.29	S	S	.	.	H	α-helix	trans	-78.4	-42.9	-178.7	-169	0	0	0	0	111.2	S643 K647 D648 F649 P671 F672	S643-V645 PolarHBondContact O-N 3.15Å; S643-V645 VanDerWaalsContact O-N 3.14Å; S643-V645 PolarHBondContact OG-N 3.45Å; V645-K647 VanDerWaalsContact C-N 3.28Å; V645-K647 PolarHBondContact O-N 3.09Å; V645-D648 PolarHBondContact O-N 3.26Å; V645-F649 WeakPolarHBondContact O-CB 3.03Å; V645-F649 PolarHBondContact O-N 2.82Å; V645-F649 VanDerWaalsContact O-N 3.08Å; V645-P671 HydrophobicContact CG1-CB 4.11Å; V645-F672 HydrophobicContact CG1-CB 4.01Å
646	L	98.2	Very high	95.9	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-37.1	168.5	175.7	49.3	0	0	0	111	E515 V606 V610 I642 S643 F649 L650 F672	E515-L646 HydrophobicContact CG-CD2 3.85Å; V606-L646 HydrophobicContact CG1-CD1 3.76Å; V610-L646 HydrophobicContact CG2-CD2 4.28Å; I642-L646 HydrophobicContact CB-CB 4.39Å; I642-L646 HydrophobicContact CB-CD2 3.87Å; I642-L646 HydrophobicContact CB-CG 4.15Å; I642-L646 HydrophobicContact CD1-CG 4.36Å; I642-L646 HydrophobicContact CG2-CD2 3.66Å; I642-L646 HydrophobicContact CG2-CG 4.3Å; S643-L646 PolarHBondContact O-N 3.43Å; S643-L646 WeakPolarHBondContact OG-CB 3.46Å; S643-L646 PolarHBondContact OG-N 2.93Å; L646-F649 HydrophobicContact CD1-CD1 4.43Å; L646-F649 PolarHBondContact O-N 2.89Å; L646-L650 WeakPolarHBondContact O-CB 3.21Å; L646-L650 PolarHBondContact O-N 3.43Å; L646-F672 HydrophobicContact CB-CD2 3.77Å; L646-F672 HydrophobicContact CB-CE2 3.61Å; L646-F672 HydrophobicContact CD1-CD2 4.19Å; L646-F672 HydrophobicContact CD1-CE1 4.26Å; L646-F672 HydrophobicContact CD1-CE2 3.69Å; L646-F672 HydrophobicContact CD1-CZ 3.75Å; L646-F672 HydrophobicContact CD2-CE2 4.2Å; L646-F672 HydrophobicContact CG-CE2 4.01Å; L646-F672 HydrophobicContact CG-CZ 4.48Å
647	K	98.1	Very high	96.1	Very high	68 Å²	68	59.1 Å²	59.1	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-47.5	175.9	-160.2	-151.9	175.5	-59.8	0	112.4	V639 I642 S643 V645 F649 L650 D651	V639-K647 HydrophobicContact CG1-CD 4.13Å; V639-K647 HydrophobicContact CG1-CG 4.37Å; I642-K647 HydrophobicContact CD1-CB 3.89Å; I642-K647 HydrophobicContact CD1-CG 4.12Å; S643-K647 PolarHBondContact O-N 3.49Å; V645-K647 VanDerWaalsContact C-N 3.28Å; V645-K647 PolarHBondContact O-N 3.09Å; K647-F649 VanDerWaalsContact C-N 3.33Å; K647-F649 PolarHBondContact O-N 3.14Å; K647-L650 PolarHBondContact O-N 3.38Å; K647-D651 IonicContact NZ-OD1 3.88Å; K647-D651 PolarHBondContact NZ-OD1 3.37Å; K647-D651 IonicContact NZ-OD2 2.67Å; K647-D651 PolarHBondContact NZ-OD2 2.87Å; K647-D651 WeakPolarHBondContact O-CB 3.27Å; K647-D651 PolarHBondContact O-N 3.38Å
648	D	98.4	Very high	96.4	Very high	66 Å²	66	54.2 Å²	54.2	35%	0.353	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-39.1	177.8	-168	71.1	0	0	0	111.9	P644 V645 L650 D651 R652 H670	P644-D648 PolarHBondContact O-N 3.24Å; V645-D648 PolarHBondContact O-N 3.26Å; D648-L650 PolarHBondContact O-N 3.04Å; D648-D651 PolarHBondContact O-N 3.43Å; D648-R652 VanDerWaalsContact O-CG 3.3Å; D648-R652 WeakPolarHBondContact O-CG 3.48Å; D648-R652 PolarHBondContact O-N 3.41Å; D648-R652 VanDerWaalsContact O-N 3.08Å; D648-R652 IonicContact OD2-CZ 3.19Å; D648-R652 IonicContact OD2-NE 2.8Å; D648-R652 PolarHBondContact OD2-NE 3.37Å; D648-R652 IonicContact OD2-NH2 2.71Å; D648-R652 PolarHBondContact OD2-NH2 3.31Å; D648-H670 IonicContact OD2-CE1 3.88Å; D648-H670 IonicContact OD2-NE2 3.04Å; D648-H670 PolarHBondContact OD2-NE2 3.23Å
649	F	98.6	Very high	96.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-45.9	174	-171.5	-122.1	0	0	0	112.1	C522 L526 V645 L646 K647 R652 M653 L667 H670 F672 L673	C522-F649 HydrophobicContact CB-CE1 3.95Å; C522-F649 HydrophobicContact CB-CZ 4.01Å; L526-F649 HydrophobicContact CD1-CE2 4.16Å; L526-F649 HydrophobicContact CD1-CZ 3.73Å; V645-F649 WeakPolarHBondContact O-CB 3.03Å; V645-F649 PolarHBondContact O-N 2.82Å; V645-F649 VanDerWaalsContact O-N 3.08Å; L646-F649 HydrophobicContact CD1-CD1 4.43Å; L646-F649 PolarHBondContact O-N 2.89Å; K647-F649 VanDerWaalsContact C-N 3.33Å; K647-F649 PolarHBondContact O-N 3.14Å; F649-R652 PolarHBondContact O-N 2.98Å; F649-M653 HydrophobicContact CD1-CE 4.11Å; F649-M653 HydrophobicContact CE1-CE 3.43Å; F649-M653 VanDerWaalsContact CE1-CE 3.43Å; F649-M653 HydrophobicContact CE1-SD 4.32Å; F649-M653 HydrophobicContact CE2-CE 3.93Å; F649-M653 HydrophobicContact CZ-CE 3.36Å; F649-M653 PolarHBondContact O-N 3.01Å; F649-L667 HydrophobicContact CD2-CD2 3.78Å; F649-L667 HydrophobicContact CE2-CB 4.1Å; F649-L667 HydrophobicContact CE2-CD2 3.8Å; F649-H670 HydrophobicContact CD2-CB 3.76Å; F649-H670 AromaticContact CD2-CG 3.53Å; F649-H670 AromaticContact CD2-ND1 3.32Å; F649-H670 VanDerWaalsContact CD2-ND1 3.32Å; F649-H670 WeakPolarHBondContact CD2-ND1 3.45Å; F649-H670 HydrophobicContact CE2-CB 3.94Å; F649-H670 AromaticContact CG-ND1 3.83Å; F649-H670 PolarHBondContact N-CE1 3.1Å; F649-F672 HydrophobicContact CB-CB 3.82Å; F649-F672 HydrophobicContact CB-CD1 4.37Å; F649-F672 HydrophobicContact CB-CG 4.07Å; F649-F672 HydrophobicContact CD1-CB 4.25Å; F649-F672 AromaticContact CD1-CD1 3.27Å; F649-F672 HydrophobicContact CD1-CD1 3.27Å; F649-F672 AromaticContact CD1-CE1 3.8Å; F649-F672 HydrophobicContact CD1-CE1 3.8Å; F649-F672 AromaticContact CD1-CG 3.85Å; F649-F672 HydrophobicContact CD1-CG 3.85Å; F649-F672 HydrophobicContact CD2-CB 4.05Å; F649-F672 HydrophobicContact CD2-CD1 4.26Å; F649-F672 AromaticContact CE1-CD1 3.33Å; F649-F672 HydrophobicContact CE1-CD1 3.33Å; F649-F672 AromaticContact CE1-CE1 3.7Å; F649-F672 HydrophobicContact CE1-CE1 3.7Å; F649-F672 HydrophobicContact CE1-CG 4.31Å; F649-F672 HydrophobicContact CE2-CD1 4.28Å; F649-F672 HydrophobicContact CG-CB 3.81Å; F649-F672 AromaticContact CG-CD1 3.75Å; F649-F672 HydrophobicContact CG-CD1 3.75Å; F649-F672 AromaticContact CG-CG 3.92Å; F649-F672 HydrophobicContact CG-CG 3.92Å; F649-F672 AromaticContact CZ-CD1 3.83Å; F649-F672 HydrophobicContact CZ-CD1 3.83Å; F649-F672 HydrophobicContact CZ-CE1 4.47Å; F649-L673 HydrophobicContact CE2-CD2 4.43Å; F649-L673 HydrophobicContact CE2-CG 4.33Å; F649-L673 HydrophobicContact CZ-CD2 3.91Å; F649-L673 HydrophobicContact CZ-CG 4.29Å
650	L	98.3	Very high	97.1	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-41.4	178.8	-177	61.5	0	0	0	112.4	G603 V606 V607 V636 L646 K647 D648 R652 M653 L654	G603-L650 VanDerWaalsContact O-CD1 3.27Å; G603-L650 WeakPolarHBondContact O-CD1 3.42Å; V606-L650 HydrophobicContact CB-CD1 4.06Å; V606-L650 HydrophobicContact CG1-CD1 4.01Å; V607-L650 HydrophobicContact CG2-CD1 4.09Å; V607-L650 HydrophobicContact CG2-CD2 4.03Å; V636-L650 HydrophobicContact CG1-CD2 4.04Å; L646-L650 WeakPolarHBondContact O-CB 3.21Å; L646-L650 PolarHBondContact O-N 3.43Å; K647-L650 PolarHBondContact O-N 3.38Å; D648-L650 PolarHBondContact O-N 3.04Å; L650-R652 VanDerWaalsContact C-N 3.3Å; L650-R652 PolarHBondContact O-N 3.16Å; L650-M653 PolarHBondContact O-N 3.32Å; L650-L654 HydrophobicContact CD1-CD1 3.58Å; L650-L654 HydrophobicContact CD1-CG 3.96Å; L650-L654 HydrophobicContact CG-CD1 4Å; L650-L654 PolarHBondContact O-N 3.16Å
651	D	98.3	Very high	97.5	Very high	67 Å²	67	57 Å²	57	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-40.1	177.1	-70.6	-14.8	0	0	0	111.2	K647 D648 T655	K647-D651 IonicContact NZ-OD1 3.88Å; K647-D651 PolarHBondContact NZ-OD1 3.37Å; K647-D651 IonicContact NZ-OD2 2.67Å; K647-D651 PolarHBondContact NZ-OD2 2.87Å; K647-D651 WeakPolarHBondContact O-CB 3.27Å; K647-D651 PolarHBondContact O-N 3.38Å; D648-D651 PolarHBondContact O-N 3.43Å; D651-T655 PolarHBondContact O-N 3.02Å; D651-T655 VanDerWaalsContact O-N 3.16Å; D651-T655 PolarHBondContact O-OG1 2.82Å
652	R	98.5	Very high	98	Very high	108 Å²	108	52.7 Å²	52.7	41%	0.408	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-39	174.9	-71	173.7	-164.9	-130.2	8	112.9	D648 F649 L650 R661 A662 L667 H670	D648-R652 VanDerWaalsContact O-CG 3.3Å; D648-R652 WeakPolarHBondContact O-CG 3.48Å; D648-R652 PolarHBondContact O-N 3.41Å; D648-R652 VanDerWaalsContact O-N 3.08Å; D648-R652 IonicContact OD2-CZ 3.19Å; D648-R652 IonicContact OD2-NE 2.8Å; D648-R652 PolarHBondContact OD2-NE 3.37Å; D648-R652 IonicContact OD2-NH2 2.71Å; D648-R652 PolarHBondContact OD2-NH2 3.31Å; F649-R652 PolarHBondContact O-N 2.98Å; L650-R652 VanDerWaalsContact C-N 3.3Å; L650-R652 PolarHBondContact O-N 3.16Å; R652-R661 WeakPolarHBondContact O-CG 3.44Å; R652-A662 HydrophobicContact CB-CB 4.11Å; R652-L667 HydrophobicContact CB-CD2 4.07Å; R652-H670 VanDerWaalsContact CZ-CD2 3.5Å; R652-H670 PolarHBondContact NE-CD2 2.77Å; R652-H670 PolarHBondContact NE-NE2 3.02Å
653	M	98.7	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.6	-44.3	176.3	-71.7	-178.4	173.4	0	0	112.5	L526 V599 M602 G603 V606 F649 L650 T655 R661 L667	L526-M653 HydrophobicContact CD1-CE 4.12Å; L526-M653 HydrophobicContact CD2-CE 4.36Å; V599-M653 HydrophobicContact CG1-CB 4.21Å; V599-M653 HydrophobicContact CG1-CG 4.01Å; M602-M653 HydrophobicContact CB-SD 4.33Å; M602-M653 HydrophobicContact CG-CE 3.68Å; M602-M653 HydrophobicContact CG-SD 3.95Å; G603-M653 VanDerWaalsContact CA-SD 3.58Å; V606-M653 HydrophobicContact CG2-SD 4.06Å; F649-M653 HydrophobicContact CD1-CE 4.11Å; F649-M653 HydrophobicContact CE1-CE 3.43Å; F649-M653 VanDerWaalsContact CE1-CE 3.43Å; F649-M653 HydrophobicContact CE1-SD 4.32Å; F649-M653 HydrophobicContact CE2-CE 3.93Å; F649-M653 HydrophobicContact CZ-CE 3.36Å; F649-M653 PolarHBondContact O-N 3.01Å; L650-M653 PolarHBondContact O-N 3.32Å; M653-T655 VanDerWaalsContact C-N 3.25Å; M653-T655 PolarHBondContact O-N 3.43Å; M653-R661 VanDerWaalsContact O-CD 3.3Å; M653-R661 WeakPolarHBondContact O-CD 3.26Å; M653-R661 WeakPolarHBondContact O-CG 3.27Å; M653-L667 HydrophobicContact CE-CD1 3.92Å; M653-L667 HydrophobicContact CE-CD2 4.41Å; M653-L667 HydrophobicContact CG-CD1 3.72Å; M653-L667 HydrophobicContact CG-CD2 4.13Å
654	L	98.6	Very high	98.2	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	22.5	-176.6	-62.5	-178.4	0	0	0	113.3	W600 I604 V607 A633 P634 L650 R656	W600-L654 HydrophobicContact CD2-CD2 3.89Å; W600-L654 HydrophobicContact CE3-CD2 4.11Å; W600-L654 HydrophobicContact CG-CD2 4.3Å; W600-L654 HydrophobicContact CZ2-CD2 4.36Å; W600-L654 HydrophobicContact CZ3-CB 4.37Å; W600-L654 HydrophobicContact CZ3-CD2 4.45Å; W600-L654 VanDerWaalsContact CZ3-O 3.22Å; W600-L654 WeakPolarHBondContact CZ3-O 3.38Å; I604-L654 HydrophobicContact CD1-CD2 3.79Å; I604-L654 HydrophobicContact CG1-CD2 4.06Å; V607-L654 HydrophobicContact CG2-CD1 4.16Å; A633-L654 HydrophobicContact CB-CB 4.25Å; A633-L654 WeakPolarHBondContact CB-O 3.34Å; P634-L654 HydrophobicContact CG-CD1 4.2Å; P634-L654 VanDerWaalsContact O-CD1 3.26Å; P634-L654 WeakPolarHBondContact O-CD1 3.33Å; L650-L654 HydrophobicContact CD1-CD1 3.58Å; L650-L654 HydrophobicContact CD1-CG 3.96Å; L650-L654 HydrophobicContact CG-CD1 4Å; L650-L654 PolarHBondContact O-N 3.16Å; L654-R656 PolarHBondContact O-N 3.29Å
655	T	98.5	Very high	98.3	Very high	42 Å²	42	50.9 Å²	50.9	26%	0.258	26%	0.262	S	S	.	.			trans	-66.2	126.3	170.8	-73.9	0	0	0	0	110.3	D651 M653 E660 R661	D651-T655 PolarHBondContact O-N 3.02Å; D651-T655 VanDerWaalsContact O-N 3.16Å; D651-T655 PolarHBondContact O-OG1 2.82Å; M653-T655 VanDerWaalsContact C-N 3.25Å; M653-T655 PolarHBondContact O-N 3.43Å; T655-E660 HydrophobicContact CG2-CB 3.95Å; T655-R661 HydrophobicContact CG2-CB 4.25Å; T655-R661 PolarHBondContact O-NE 3.11Å; T655-R661 PolarHBondContact O-NH2 2.95Å; T655-R661 VanDerWaalsContact O-NH2 3.13Å
656	R	97.4	Very high	98.3	Very high	87 Å²	87	52.2 Å²	52.2	33%	0.328	27%	0.267	S	S	.	.	S	Bend	trans	-76.7	-28.1	-171.1	-73.7	-172.9	59.2	84.5	16.5	114.6	W600 L628 R629 E631 A633 L654 P658	W600-R656 HydrophobicContact CH2-CG 4.12Å; W600-R656 HydrophobicContact CZ3-CG 3.94Å; L628-R656 PolarHBondContact O-NH1 3.38Å; R629-R656 PolarHBondContact O-NH2 3.3Å; E631-R656 VanDerWaalsContact O-CZ 3.28Å; E631-R656 PolarHBondContact O-NH1 3.5Å; A633-R656 HydrophobicContact CB-CG 4.18Å; L654-R656 PolarHBondContact O-N 3.29Å; R656-P658 WeakPolarHBondContact O-CD 3Å
657	D	97.8	Very high	98.3	Very high	81 Å²	81	52.1 Å²	52.1	43%	0.433	27%	0.267	S	S	.	.	S	Bend	trans	-80.4	120.4	171.4	-162.9	-50.8	0	0	0	108.8	L659 E660 R661	D657-L659 PolarHBondContact O-N 3.38Å; D657-L659 VanDerWaalsContact O-N 3.16Å; D657-L659 WeakPolarHBondContact OD1-CB 3.29Å; D657-L659 PolarHBondContact OD1-N 3.43Å; D657-E660 HydrophobicContact CB-CB 4.21Å; D657-E660 HydrophobicContact CB-CG 4.02Å; D657-E660 PolarHBondContact O-N 3.26Å; D657-R661 PolarHBondContact O-N 2.86Å; D657-R661 VanDerWaalsContact O-N 3.12Å
658	P	97.7	Very high	98.3	Very high	34 Å²	34	51.4 Å²	51.4	22%	0.221	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.1	-177	-11	27.5	0	0	0	113.8	E586 E596 R656	E586-P658 HydrophobicContact CB-CG 4.12Å; E586-P658 HydrophobicContact CG-CG 3.93Å; E596-P658 HydrophobicContact CG-CB 3.51Å; R656-P658 WeakPolarHBondContact O-CD 3Å
659	L	97.1	Very high	98.3	Very high	140 Å²	140	56.2 Å²	56.2	73%	0.733	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-26.9	172.7	-61.9	176.7	0	0	0	113.4	D657	D657-L659 PolarHBondContact O-N 3.38Å; D657-L659 VanDerWaalsContact O-N 3.16Å; D657-L659 WeakPolarHBondContact OD1-CB 3.29Å; D657-L659 PolarHBondContact OD1-N 3.43Å
660	E	98.1	Very high	98.3	Very high	155 Å²	155	56.5 Å²	56.5	72%	0.724	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-12	178.1	-55.1	-69	135.3	0	0	112	T655 D657	T655-E660 HydrophobicContact CG2-CB 3.95Å; D657-E660 HydrophobicContact CB-CB 4.21Å; D657-E660 HydrophobicContact CB-CG 4.02Å; D657-E660 PolarHBondContact O-N 3.26Å
661	R	98.6	Very high	98.3	Very high	13 Å²	13	60 Å²	60	5%	0.049	31%	0.31	C	S	.	.	S	Bend	trans	-68.5	132.4	174.6	-169	-174.2	-57	144.6	7.4	110	E586 E596 V599 R652 M653 T655 D657	E586-R661 IonicContact OE1-CZ 3.17Å; E586-R661 IonicContact OE1-NH1 2.82Å; E586-R661 PolarHBondContact OE1-NH1 2.71Å; E586-R661 IonicContact OE1-NH2 2.74Å; E586-R661 PolarHBondContact OE1-NH2 3.39Å; E586-R661 IonicContact OE2-NH2 2.71Å; E586-R661 PolarHBondContact OE2-NH2 2.99Å; E596-R661 WeakPolarHBondContact O-CD 3.23Å; E596-R661 PolarHBondContact O-NH1 3.4Å; V599-R661 HydrophobicContact CG1-CG 4.2Å; R652-R661 WeakPolarHBondContact O-CG 3.44Å; M653-R661 VanDerWaalsContact O-CD 3.3Å; M653-R661 WeakPolarHBondContact O-CD 3.26Å; M653-R661 WeakPolarHBondContact O-CG 3.27Å; T655-R661 HydrophobicContact CG2-CB 4.25Å; T655-R661 PolarHBondContact O-NE 3.11Å; T655-R661 PolarHBondContact O-NH2 2.95Å; T655-R661 VanDerWaalsContact O-NH2 3.13Å; D657-R661 PolarHBondContact O-N 2.86Å; D657-R661 VanDerWaalsContact O-N 3.12Å
662	A	98.6	Very high	98.4	Very high	17 Å²	17	56.8 Å²	56.8	14%	0.14	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-58.6	145.9	177.8	0	0	0	0	0	111.8	V599 R652 D666 L667	V599-A662 WeakPolarHBondContact CG1-O 3.35Å; R652-A662 HydrophobicContact CB-CB 4.11Å; A662-D666 HydrophobicContact CB-CB 4.19Å; A662-L667 HydrophobicContact CB-CD1 4.2Å; A662-L667 HydrophobicContact CB-CD2 4Å; A662-L667 HydrophobicContact CB-CG 3.8Å
663	S	98.8	Very high	98.3	Very high	46 Å²	46	52.4 Å²	52.4	32%	0.322	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-78.8	167.6	170.4	75.3	0	0	0	0	111.4	T665 D666 L667	S663-T665 PolarHBondContact O-N 3.4Å; S663-T665 PolarHBondContact OG-N 3.43Å; S663-D666 WeakPolarHBondContact CA-OD2 3.48Å; S663-D666 WeakPolarHBondContact CB-OD2 3.35Å; S663-D666 PolarHBondContact N-OD2 2.84Å; S663-D666 PolarHBondContact O-N 2.72Å; S663-D666 PolarHBondContact OG-N 2.73Å; S663-D666 PolarHBondContact OG-OD2 3.04Å; S663-L667 WeakPolarHBondContact O-CG 3.37Å; S663-L667 PolarHBondContact O-N 3.33Å; S663-L667 VanDerWaalsContact O-N 3.13Å
664	A	98.7	Very high	98.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-31.7	173.1	0	0	0	0	0	112.3	L526 L529 A530 L668	L526-A664 HydrophobicContact CD2-CB 4.1Å; L529-A664 HydrophobicContact CB-CB 3.9Å; A530-A664 HydrophobicContact CB-CB 4.06Å; A664-L668 WeakPolarHBondContact O-CG 3.49Å; A664-L668 PolarHBondContact O-N 2.86Å
665	T	98.5	Very high	98.1	Very high	77 Å²	77	63 Å²	63	47%	0.472	33%	0.331	S	S	.	.	H	α-helix	trans	-70.5	-46.7	176.2	-48.6	0	0	0	0	111.9	S663 L667 L668	S663-T665 PolarHBondContact O-N 3.4Å; S663-T665 PolarHBondContact OG-N 3.43Å; T665-L667 PolarHBondContact O-N 2.71Å; T665-L668 WeakPolarHBondContact O-CB 3.15Å; T665-L668 PolarHBondContact O-N 2.73Å
666	D	98.5	Very high	98	Very high	86 Å²	86	62.4 Å²	62.4	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-28.5	179.5	-49.3	-56.3	0	0	0	111.8	A662 S663	A662-D666 HydrophobicContact CB-CB 4.19Å; S663-D666 WeakPolarHBondContact CA-OD2 3.48Å; S663-D666 WeakPolarHBondContact CB-OD2 3.35Å; S663-D666 PolarHBondContact N-OD2 2.84Å; S663-D666 PolarHBondContact O-N 2.72Å; S663-D666 PolarHBondContact OG-N 2.73Å; S663-D666 PolarHBondContact OG-OD2 3.04Å
667	L	98.7	Very high	97.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-78.8	-23.3	176.1	-69.6	165.5	0	0	0	113.1	L526 V599 F649 R652 M653 A662 S663 T665 E669 H670 L673	L526-L667 HydrophobicContact CD1-CB 3.76Å; L526-L667 HydrophobicContact CD2-CB 4.01Å; L526-L667 HydrophobicContact CD2-CD1 4.13Å; V599-L667 HydrophobicContact CG1-CD1 3.42Å; V599-L667 VanDerWaalsContact CG1-CD1 3.42Å; F649-L667 HydrophobicContact CD2-CD2 3.78Å; F649-L667 HydrophobicContact CE2-CB 4.1Å; F649-L667 HydrophobicContact CE2-CD2 3.8Å; R652-L667 HydrophobicContact CB-CD2 4.07Å; M653-L667 HydrophobicContact CE-CD1 3.92Å; M653-L667 HydrophobicContact CE-CD2 4.41Å; M653-L667 HydrophobicContact CG-CD1 3.72Å; M653-L667 HydrophobicContact CG-CD2 4.13Å; A662-L667 HydrophobicContact CB-CD1 4.2Å; A662-L667 HydrophobicContact CB-CD2 4Å; A662-L667 HydrophobicContact CB-CG 3.8Å; S663-L667 WeakPolarHBondContact O-CG 3.37Å; S663-L667 PolarHBondContact O-N 3.33Å; S663-L667 VanDerWaalsContact O-N 3.13Å; T665-L667 PolarHBondContact O-N 2.71Å; L667-E669 VanDerWaalsContact C-N 3.27Å; L667-H670 VanDerWaalsContact O-CB 3.27Å; L667-H670 WeakPolarHBondContact O-CB 3.49Å; L667-H670 PolarHBondContact O-N 3.14Å; L667-L673 VanDerWaalsContact O-CD1 3.23Å; L667-L673 WeakPolarHBondContact O-CD1 3.48Å
668	L	98.6	Very high	97.6	Very high	53 Å²	53	58.2 Å²	58.2	28%	0.277	32%	0.322	S	S	.	.	H	α-helix	trans	-69.8	-25.2	171.5	-74	170.1	0	0	0	112.6	E523 L526 Q527 A530 A664 T665 H670 L673	E523-L668 HydrophobicContact CG-CD2 4.39Å; L526-L668 HydrophobicContact CB-CD2 3.59Å; L526-L668 HydrophobicContact CB-CG 3.95Å; Q527-L668 HydrophobicContact CG-CD1 4.22Å; Q527-L668 HydrophobicContact CG-CD2 3.75Å; A530-L668 HydrophobicContact CB-CD1 3.83Å; A664-L668 WeakPolarHBondContact O-CG 3.49Å; A664-L668 PolarHBondContact O-N 2.86Å; T665-L668 WeakPolarHBondContact O-CB 3.15Å; T665-L668 PolarHBondContact O-N 2.73Å; L668-H670 VanDerWaalsContact C-N 3.32Å; L668-L673 HydrophobicContact CD2-CD1 4.15Å
669	E	98.3	Very high	97.4	Very high	166 Å²	166	59 Å²	59	78%	0.776	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	3.7	174.3	-59.6	-172.2	175.1	0	0	113	L667	L667-E669 VanDerWaalsContact C-N 3.27Å
670	H	98.7	Very high	97.4	Very high	7 Å²	7	59.3 Å²	59.3	3%	0.032	33%	0.325	C	S	.	.	S	Bend	trans	-76.7	136.2	-174.1	-166.1	-97.5	0	0	0	113.1	D648 F649 R652 L667 L668 F672 L673	D648-H670 IonicContact OD2-CE1 3.88Å; D648-H670 IonicContact OD2-NE2 3.04Å; D648-H670 PolarHBondContact OD2-NE2 3.23Å; F649-H670 HydrophobicContact CD2-CB 3.76Å; F649-H670 AromaticContact CD2-CG 3.53Å; F649-H670 AromaticContact CD2-ND1 3.32Å; F649-H670 VanDerWaalsContact CD2-ND1 3.32Å; F649-H670 WeakPolarHBondContact CD2-ND1 3.45Å; F649-H670 HydrophobicContact CE2-CB 3.94Å; F649-H670 AromaticContact CG-ND1 3.83Å; F649-H670 PolarHBondContact N-CE1 3.1Å; R652-H670 VanDerWaalsContact CZ-CD2 3.5Å; R652-H670 PolarHBondContact NE-CD2 2.77Å; R652-H670 PolarHBondContact NE-NE2 3.02Å; L667-H670 VanDerWaalsContact O-CB 3.27Å; L667-H670 WeakPolarHBondContact O-CB 3.49Å; L667-H670 PolarHBondContact O-N 3.14Å; L668-H670 VanDerWaalsContact C-N 3.32Å; H670-F672 VanDerWaalsContact ND1-CB 3.3Å; H670-F672 WeakPolarHBondContact ND1-CB 3.35Å; H670-F672 PolarHBondContact ND1-N 3.37Å; H670-F672 VanDerWaalsContact ND1-N 3.19Å; H670-F672 PolarHBondContact O-N 3.03Å; H670-L673 PolarHBondContact O-N 3.16Å
671	P	98.4	Very high	97.3	Very high	73 Å²	73	52.8 Å²	52.8	47%	0.474	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-55	-22.7	-179.8	-29.9	36.6	0	0	0	116	V645 L673 L674	V645-P671 HydrophobicContact CG1-CB 4.11Å; P671-L673 PolarHBondContact O-N 2.8Å; P671-L674 HydrophobicContact CB-CD1 4.3Å; P671-L674 WeakPolarHBondContact O-CB 3.24Å; P671-L674 PolarHBondContact O-N 2.72Å; P671-L674 VanDerWaalsContact O-N 3.16Å
672	F	98.6	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-60	-28.9	173.8	178.7	-104.4	0	0	0	113.3	E515 I518 A519 V645 L646 F649 H670 L674 Q675	E515-F672 HydrophobicContact CB-CE2 4.16Å; I518-F672 HydrophobicContact CB-CZ 4.11Å; I518-F672 HydrophobicContact CG2-CE1 4.04Å; I518-F672 HydrophobicContact CG2-CZ 3.72Å; A519-F672 HydrophobicContact CB-CD1 4.32Å; A519-F672 HydrophobicContact CB-CE1 3.77Å; A519-F672 HydrophobicContact CB-CZ 3.94Å; V645-F672 HydrophobicContact CG1-CB 4.01Å; L646-F672 HydrophobicContact CB-CD2 3.77Å; L646-F672 HydrophobicContact CB-CE2 3.61Å; L646-F672 HydrophobicContact CD1-CD2 4.19Å; L646-F672 HydrophobicContact CD1-CE1 4.26Å; L646-F672 HydrophobicContact CD1-CE2 3.69Å; L646-F672 HydrophobicContact CD1-CZ 3.75Å; L646-F672 HydrophobicContact CD2-CE2 4.2Å; L646-F672 HydrophobicContact CG-CE2 4.01Å; L646-F672 HydrophobicContact CG-CZ 4.48Å; F649-F672 HydrophobicContact CB-CB 3.82Å; F649-F672 HydrophobicContact CB-CD1 4.37Å; F649-F672 HydrophobicContact CB-CG 4.07Å; F649-F672 HydrophobicContact CD1-CB 4.25Å; F649-F672 AromaticContact CD1-CD1 3.27Å; F649-F672 HydrophobicContact CD1-CD1 3.27Å; F649-F672 AromaticContact CD1-CE1 3.8Å; F649-F672 HydrophobicContact CD1-CE1 3.8Å; F649-F672 AromaticContact CD1-CG 3.85Å; F649-F672 HydrophobicContact CD1-CG 3.85Å; F649-F672 HydrophobicContact CD2-CB 4.05Å; F649-F672 HydrophobicContact CD2-CD1 4.26Å; F649-F672 AromaticContact CE1-CD1 3.33Å; F649-F672 HydrophobicContact CE1-CD1 3.33Å; F649-F672 AromaticContact CE1-CE1 3.7Å; F649-F672 HydrophobicContact CE1-CE1 3.7Å; F649-F672 HydrophobicContact CE1-CG 4.31Å; F649-F672 HydrophobicContact CE2-CD1 4.28Å; F649-F672 HydrophobicContact CG-CB 3.81Å; F649-F672 AromaticContact CG-CD1 3.75Å; F649-F672 HydrophobicContact CG-CD1 3.75Å; F649-F672 AromaticContact CG-CG 3.92Å; F649-F672 HydrophobicContact CG-CG 3.92Å; F649-F672 AromaticContact CZ-CD1 3.83Å; F649-F672 HydrophobicContact CZ-CD1 3.83Å; F649-F672 HydrophobicContact CZ-CE1 4.47Å; H670-F672 VanDerWaalsContact ND1-CB 3.3Å; H670-F672 WeakPolarHBondContact ND1-CB 3.35Å; H670-F672 PolarHBondContact ND1-N 3.37Å; H670-F672 VanDerWaalsContact ND1-N 3.19Å; H670-F672 PolarHBondContact O-N 3.03Å; F672-L674 VanDerWaalsContact C-N 3.32Å; F672-Q675 VanDerWaalsContact CD2-NE2 3.27Å; F672-Q675 WeakPolarHBondContact O-CG 3.39Å
673	L	98.3	Very high	97.1	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.089	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-84	-5	179.2	-58.2	-176.5	0	0	0	113.4	A519 C522 E523 L526 F649 L667 L668 H670 P671 Q675 S676	A519-L673 HydrophobicContact CB-CD2 4.33Å; C522-L673 HydrophobicContact CB-CD2 3.83Å; E523-L673 HydrophobicContact CB-CD1 4.34Å; E523-L673 HydrophobicContact CB-CD2 4.28Å; E523-L673 HydrophobicContact CG-CD1 4.44Å; L526-L673 HydrophobicContact CD1-CD1 4.08Å; F649-L673 HydrophobicContact CE2-CD2 4.43Å; F649-L673 HydrophobicContact CE2-CG 4.33Å; F649-L673 HydrophobicContact CZ-CD2 3.91Å; F649-L673 HydrophobicContact CZ-CG 4.29Å; L667-L673 VanDerWaalsContact O-CD1 3.23Å; L667-L673 WeakPolarHBondContact O-CD1 3.48Å; L668-L673 HydrophobicContact CD2-CD1 4.15Å; H670-L673 PolarHBondContact O-N 3.16Å; P671-L673 PolarHBondContact O-N 2.8Å; L673-Q675 PolarHBondContact O-N 3.32Å; L673-S676 WeakPolarHBondContact O-CB 3.43Å; L673-S676 PolarHBondContact O-N 3.21Å
674	L	96.9	Very high	97	Very high	153 Å²	153	54.4 Å²	54.4	80%	0.801	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69.8	-14	173.1	-60.9	175.3	0	0	0	113.1	P671 F672	P671-L674 HydrophobicContact CB-CD1 4.3Å; P671-L674 WeakPolarHBondContact O-CB 3.24Å; P671-L674 PolarHBondContact O-N 2.72Å; P671-L674 VanDerWaalsContact O-N 3.16Å; F672-L674 VanDerWaalsContact C-N 3.32Å
675	Q	96.1	Very high	96.7	Very high	75 Å²	75	54.9 Å²	54.9	35%	0.35	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-100.3	16.3	168.2	59.3	176.9	-4.8	0	0	112.6	E515 E516 A519 F672 L673 G677	E515-Q675 PolarHBondContact OE2-NE2 2.99Å; E516-Q675 WeakPolarHBondContact CA-O 3.47Å; A519-Q675 HydrophobicContact CB-CG 4.14Å; F672-Q675 VanDerWaalsContact CD2-NE2 3.27Å; F672-Q675 WeakPolarHBondContact O-CG 3.39Å; L673-Q675 PolarHBondContact O-N 3.32Å; Q675-G677 PolarHBondContact O-N 2.96Å
676	S	96.4	Very high	96.5	Very high	29 Å²	29	51.3 Å²	51.3	20%	0.203	29%	0.285	C	S	.	.			trans	-63	128.9	168.7	-171.4	0	0	0	0	109.9	T520 E523 L673	T520-S676 WeakPolarHBondContact CA-OG 3.44Å; E523-S676 VanDerWaalsContact OE2-CB 3.24Å; E523-S676 WeakPolarHBondContact OE2-CB 3.19Å; E523-S676 PolarHBondContact OE2-OG 3.12Å; L673-S676 WeakPolarHBondContact O-CB 3.43Å; L673-S676 PolarHBondContact O-N 3.21Å
677	G	90	Very high	96.2	Very high	19 Å²	19	51.6 Å²	51.6	20%	0.196	28%	0.284	C	S	.	.			trans	-93.1	174.8	-176.4	0	0	0	0	0	113	T520 Q675	T520-G677 PolarHBondContact OG1-N 3.03Å; Q675-G677 PolarHBondContact O-N 2.96Å
678	S	95.5	Very high	95.7	Very high	62 Å²	62	55.8 Å²	55.8	43%	0.434	30%	0.303	S	S	.	.			trans	-60.1	143.2	160.9	174.1	0	0	0	0	109.1	Q680 C681	S678-Q680 PolarHBondContact O-N 2.97Å; S678-Q680 PolarHBondContact OG-N 3.47Å; S678-C681 WeakPolarHBondContact O-CB 3.36Å; S678-C681 PolarHBondContact O-N 2.74Å; S678-C681 PolarHBondContact O-SG 2.81Å
679	P	94.6	Very high	95.1	Very high	51 Å²	51	54.7 Å²	54.7	33%	0.331	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-49.4	-23.4	173	-29.7	36.1	0	0	0	114.4	G553 R554 C681 L682	G553-P679 WeakPolarHBondContact CA-O 3.43Å; R554-P679 HydrophobicContact CG-CB 4.32Å; R554-P679 HydrophobicContact CG-CG 4.38Å; P679-C681 PolarHBondContact O-N 3.02Å; P679-L682 PolarHBondContact O-N 3.05Å
680	Q	95.9	Very high	94.5	Very high	145 Å²	145	51.3 Å²	51.3	68%	0.678	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-53.9	-27.4	171	-67.5	173.8	-16.5	0	0	114.2	S678 L682 V683 P684	S678-Q680 PolarHBondContact O-N 2.97Å; S678-Q680 PolarHBondContact OG-N 3.47Å; Q680-L682 PolarHBondContact O-N 3.23Å; Q680-V683 PolarHBondContact O-N 2.85Å; Q680-P684 WeakPolarHBondContact O-CD 3.49Å
681	C	96.6	Very high	93.8	Very high	18 Å²	18	57 Å²	57	12%	0.122	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-65	-20	176.7	76.9	0	0	0	0	113	E516 Q517 T520 S678 P679	E516-C681 HydrophobicContact CG-CB 4.5Å; E516-C681 WeakPolarHBondContact OE1-CB 3.21Å; Q517-C681 HydrophobicContact CG-CB 4.39Å; Q517-C681 PolarHBondContact NE2-O 3.01Å; T520-C681 PolarHBondContact OG1-SG 3.43Å; S678-C681 WeakPolarHBondContact O-CB 3.36Å; S678-C681 PolarHBondContact O-N 2.74Å; S678-C681 PolarHBondContact O-SG 2.81Å; P679-C681 PolarHBondContact O-N 3.02Å
682	L	96.8	Very high	92.9	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-92.1	-17.9	177.6	-60.6	173.7	0	0	0	113.1	Q517 T520 V521 L549 G553 V555 P679 Q680 L685 V686	Q517-L682 HydrophobicContact CB-CD2 3.73Å; Q517-L682 HydrophobicContact CG-CD2 3.94Å; T520-L682 HydrophobicContact CG2-CD1 3.94Å; T520-L682 HydrophobicContact CG2-CG 4.38Å; V521-L682 HydrophobicContact CG2-CD1 3.92Å; V521-L682 HydrophobicContact CG2-CD2 4.14Å; L549-L682 HydrophobicContact CD2-CD1 4.15Å; G553-L682 WeakPolarHBondContact O-CD1 3.29Å; V555-L682 HydrophobicContact CG2-CD1 3.6Å; P679-L682 PolarHBondContact O-N 3.05Å; Q680-L682 PolarHBondContact O-N 3.23Å; L682-L685 HydrophobicContact CD2-CD1 3.89Å; L682-L685 WeakPolarHBondContact O-CB 3.39Å; L682-L685 PolarHBondContact O-N 3.14Å; L682-V686 PolarHBondContact O-N 3.21Å
683	V	96.7	Very high	91.7	Very high	31 Å²	31	62 Å²	62	19%	0.188	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-42.2	-177.7	177.1	0	0	0	0	113.2	Q680 L685 V686 E687	Q680-V683 PolarHBondContact O-N 2.85Å; V683-L685 PolarHBondContact O-N 2.82Å; V683-V686 PolarHBondContact O-N 3.4Å; V683-E687 HydrophobicContact CG1-CG 4.38Å; V683-E687 PolarHBondContact O-N 2.88Å
684	P	95.3	Very high	90.4	Very high	78 Å²	78	65.9 Å²	65.9	51%	0.506	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-34.6	176.7	-26.4	35.7	0	0	0	113.6	Q680 Q688	Q680-P684 WeakPolarHBondContact O-CD 3.49Å; P684-Q688 VanDerWaalsContact O-CB 3.29Å; P684-Q688 WeakPolarHBondContact O-CB 3.29Å; P684-Q688 PolarHBondContact O-N 3.48Å
685	L	93.7	Very high	88.6	Confident	10 Å²	10	69.5 Å²	69.5	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-68.9	-45.7	178.4	-54.5	168.4	0	0	0	110.9	I507 T511 L513 Q517 L682 V683 Q688 Y689	I507-L685 HydrophobicContact CD1-CB 3.99Å; I507-L685 HydrophobicContact CG2-CB 3.87Å; I507-L685 HydrophobicContact CG2-CD1 4.13Å; I507-L685 HydrophobicContact CG2-CD2 4.35Å; I507-L685 HydrophobicContact CG2-CG 4.36Å; T511-L685 HydrophobicContact CG2-CD2 3.76Å; L513-L685 HydrophobicContact CD2-CD1 3.44Å; L513-L685 VanDerWaalsContact CD2-CD1 3.44Å; L513-L685 HydrophobicContact CD2-CD2 4.34Å; Q517-L685 HydrophobicContact CG-CD1 4.38Å; L682-L685 HydrophobicContact CD2-CD1 3.89Å; L682-L685 WeakPolarHBondContact O-CB 3.39Å; L682-L685 PolarHBondContact O-N 3.14Å; V683-L685 PolarHBondContact O-N 2.82Å; L685-Q688 PolarHBondContact O-N 3.37Å; L685-Y689 PolarHBondContact O-N 3.31Å
686	V	92.9	Very high	86	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.012	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-44.1	175.2	172.4	0	0	0	0	110.7	I507 L549 L551 L682 V683 Y689 R690	I507-V686 HydrophobicContact CD1-CG2 4.15Å; L549-V686 HydrophobicContact CB-CG2 4.14Å; L549-V686 HydrophobicContact CD1-CG2 4.01Å; L551-V686 HydrophobicContact CD2-CG1 4.16Å; L682-V686 PolarHBondContact O-N 3.21Å; V683-V686 PolarHBondContact O-N 3.4Å; V686-Y689 PolarHBondContact O-N 3.17Å; V686-R690 WeakPolarHBondContact O-CB 3.06Å; V686-R690 VanDerWaalsContact O-CG 3.3Å; V686-R690 WeakPolarHBondContact O-CG 3.34Å; V686-R690 PolarHBondContact O-N 2.65Å
687	E	92.1	Very high	85.5	Confident	93 Å²	93	76.5 Å²	76.5	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-44.5	173.6	-78.3	-162.7	-171.8	0	0	112.4	V683 Y689 R690 K691	V683-E687 HydrophobicContact CG1-CG 4.38Å; V683-E687 PolarHBondContact O-N 2.88Å; E687-Y689 PolarHBondContact O-N 3.12Å; E687-R690 PolarHBondContact O-N 2.89Å; E687-K691 HydrophobicContact CB-CD 4.49Å; E687-K691 VanDerWaalsContact O-CB 3.27Å; E687-K691 WeakPolarHBondContact O-CB 3.32Å; E687-K691 WeakPolarHBondContact O-CD 3.44Å; E687-K691 WeakPolarHBondContact O-CG 3.35Å; E687-K691 PolarHBondContact O-N 3.25Å; E687-K691 WeakPolarHBondContact OE2-CE 3.39Å; E687-K691 IonicContact OE2-NZ 2.59Å; E687-K691 PolarHBondContact OE2-NZ 3.07Å
688	Q	89.1	Confident	85.3	Confident	87 Å²	87	79.5 Å²	79.5	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-39.6	-179.4	-170.7	-171.5	-23.7	0	0	111.5	P684 L685 R692	P684-Q688 VanDerWaalsContact O-CB 3.29Å; P684-Q688 WeakPolarHBondContact O-CB 3.29Å; P684-Q688 PolarHBondContact O-N 3.48Å; L685-Q688 PolarHBondContact O-N 3.37Å; Q688-R692 WeakPolarHBondContact O-CG 3.37Å; Q688-R692 PolarHBondContact O-N 2.96Å; Q688-R692 PolarHBondContact O-NE 3.32Å
689	Y	86.6	Confident	84.7	Confident	30 Å²	30	80.4 Å²	80.4	12%	0.118	41%	0.405	C	S	.	.	H	α-helix	trans	-62	-50.6	170.6	168.4	-118.6	0	0	0	111.6	N506 L685 V686 E687 K691 R692 M693	N506-Y689 HydrophobicContact CB-CD2 3.97Å; N506-Y689 HydrophobicContact CB-CE1 4.2Å; N506-Y689 HydrophobicContact CB-CE2 3.62Å; N506-Y689 HydrophobicContact CB-CG 4.41Å; N506-Y689 PolarHBondContact ND2-OH 2.86Å; N506-Y689 VanDerWaalsContact ND2-OH 3.15Å; L685-Y689 PolarHBondContact O-N 3.31Å; V686-Y689 PolarHBondContact O-N 3.17Å; E687-Y689 PolarHBondContact O-N 3.12Å; Y689-K691 PolarHBondContact O-N 3.34Å; Y689-R692 WeakPolarHBondContact O-CB 3.24Å; Y689-R692 PolarHBondContact O-N 3.15Å; Y689-R692 VanDerWaalsContact O-N 3.13Å; Y689-M693 HydrophobicContact CD2-CG 4.08Å; Y689-M693 HydrophobicContact CE1-CE 4.41Å; Y689-M693 HydrophobicContact CE1-CG 4.35Å; Y689-M693 HydrophobicContact CE2-CG 3.53Å; Y689-M693 HydrophobicContact CE2-SD 3.9Å; Y689-M693 PolarHBondContact O-N 2.95Å; Y689-M693 VanDerWaalsContact OH-CE 3.29Å; Y689-M693 WeakPolarHBondContact OH-CE 3.29Å; Y689-M693 PolarHBondContact OH-SD 3.23Å; Y689-M693 VanDerWaalsContact OH-SD 3.37Å
690	R	85.4	Confident	84.1	Confident	96 Å²	96	82.2 Å²	82.2	36%	0.362	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-39.6	-179.7	-70.6	177.7	63.7	81.5	9	112.9	Q500 V686 E687 R692 M693 S694	Q500-R690 PolarHBondContact O-NH1 2.96Å; V686-R690 WeakPolarHBondContact O-CB 3.06Å; V686-R690 VanDerWaalsContact O-CG 3.3Å; V686-R690 WeakPolarHBondContact O-CG 3.34Å; V686-R690 PolarHBondContact O-N 2.65Å; E687-R690 PolarHBondContact O-N 2.89Å; R690-R692 VanDerWaalsContact C-N 3.26Å; R690-R692 PolarHBondContact O-N 3.16Å; R690-M693 PolarHBondContact O-N 3.43Å; R690-S694 PolarHBondContact O-N 3.2Å; R690-S694 PolarHBondContact O-OG 3.25Å
691	K	84.7	Confident	83.4	Confident	125 Å²	125	78.3 Å²	78.3	54%	0.543	39%	0.393	S	S	.	.	H	α-helix	trans	-64.5	-26.4	175.3	-73.6	165.6	-174.4	168.4	0	113.1	E687 Y689 R695	E687-K691 HydrophobicContact CB-CD 4.49Å; E687-K691 VanDerWaalsContact O-CB 3.27Å; E687-K691 WeakPolarHBondContact O-CB 3.32Å; E687-K691 WeakPolarHBondContact O-CD 3.44Å; E687-K691 WeakPolarHBondContact O-CG 3.35Å; E687-K691 PolarHBondContact O-N 3.25Å; E687-K691 WeakPolarHBondContact OE2-CE 3.39Å; E687-K691 IonicContact OE2-NZ 2.59Å; E687-K691 PolarHBondContact OE2-NZ 3.07Å; Y689-K691 PolarHBondContact O-N 3.34Å; K691-R695 WeakPolarHBondContact O-CG 3.3Å
692	R	78.1	Confident	82.5	Confident	68 Å²	68	82.3 Å²	82.3	26%	0.257	41%	0.411	S	S	.	.	H	α-helix	trans	-74.3	-52	169.2	-74.6	172.9	-83.8	-164.7	-2.8	110.6	E510 T511 Q688 Y689 R690 S694 R695	E510-R692 VanDerWaalsContact CB-NH1 3.35Å; E510-R692 WeakPolarHBondContact OE2-CD 3.45Å; E510-R692 IonicContact OE2-CZ 3.19Å; E510-R692 IonicContact OE2-NE 3.47Å; E510-R692 PolarHBondContact OE2-NE 2.86Å; E510-R692 IonicContact OE2-NH1 2.6Å; E510-R692 PolarHBondContact OE2-NH1 2.87Å; T511-R692 PolarHBondContact OG1-NH2 3.37Å; Q688-R692 WeakPolarHBondContact O-CG 3.37Å; Q688-R692 PolarHBondContact O-N 2.96Å; Q688-R692 PolarHBondContact O-NE 3.32Å; Y689-R692 WeakPolarHBondContact O-CB 3.24Å; Y689-R692 PolarHBondContact O-N 3.15Å; Y689-R692 VanDerWaalsContact O-N 3.13Å; R690-R692 VanDerWaalsContact C-N 3.26Å; R690-R692 PolarHBondContact O-N 3.16Å; R692-S694 VanDerWaalsContact C-N 3.25Å; R692-S694 PolarHBondContact O-N 3.49Å; R692-R695 PolarHBondContact O-N 3.2Å
693	M	73.6	Confident	81.5	Confident	110 Å²	110	88 Å²	88	54%	0.542	44%	0.44	S	S	.	.	H	α-helix	trans	-56.6	-33.6	177.9	-72.5	-104	-70.8	0	0	113.8	Y689 R690 R695	Y689-M693 HydrophobicContact CD2-CG 4.08Å; Y689-M693 HydrophobicContact CE1-CE 4.41Å; Y689-M693 HydrophobicContact CE1-CG 4.35Å; Y689-M693 HydrophobicContact CE2-CG 3.53Å; Y689-M693 HydrophobicContact CE2-SD 3.9Å; Y689-M693 PolarHBondContact O-N 2.95Å; Y689-M693 VanDerWaalsContact OH-CE 3.29Å; Y689-M693 WeakPolarHBondContact OH-CE 3.29Å; Y689-M693 PolarHBondContact OH-SD 3.23Å; Y689-M693 VanDerWaalsContact OH-SD 3.37Å; R690-M693 PolarHBondContact O-N 3.43Å; M693-R695 VanDerWaalsContact C-N 3.25Å; M693-R695 PolarHBondContact O-N 3.4Å
694	S	70.8	Confident	80.3	Confident	100 Å²	100	92.4 Å²	92.4	70%	0.699	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	7.7	176.3	-55.8	0	0	0	0	114.9	R690 R692	R690-S694 PolarHBondContact O-N 3.2Å; R690-S694 PolarHBondContact O-OG 3.25Å; R692-S694 VanDerWaalsContact C-N 3.25Å; R692-S694 PolarHBondContact O-N 3.49Å
695	R	59.2	Low	79.1	Confident	228 Å²	228	93.6 Å²	93.6	86%	0.86	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	7.7	175.4	-74.9	179.7	165.8	-164.2	-3.6	112.9	K691 R692 M693	K691-R695 WeakPolarHBondContact O-CG 3.3Å; R692-R695 PolarHBondContact O-N 3.2Å; M693-R695 VanDerWaalsContact C-N 3.25Å; M693-R695 PolarHBondContact O-N 3.4Å
696	C	42.5	Very low	77.7	Confident	174 Å²	174	101.2 Å²	101.2	100%	1.176	49%	0.492	S	S	*	.			trans	-121.7	0	178.6	-64	0	0	0	0	111

Retrieved 696 of 696 residues in 209.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).