A0A087X9X0_POEFO Loading...

Exostosin-1c

Glycosyltransferase required for the biosynthesis of heparan-sulfate.

AlphaFold DB , UniProt , Accession A0A087X9X0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 741 aa.

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(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	52	Low	54.7	Low	235 Å²	235	146.8 Å²	146.8	100%	1.158	72%	0.717	S	S	*	*				0	38.9	0	-132.7	-167.8	-77.5	0	0	113.4
2	Q	52.2	Low	55.5	Low	176 Å²	176	143.1 Å²	143.1	82%	0.822	70%	0.702	S	S	*	*			trans	-134.2	-5.5	-178.2	-91.4	175.6	-20.5	0	0	115.7
3	A	48.6	Very low	55.8	Low	74 Å²	74	138.1 Å²	138.1	61%	0.612	69%	0.689	S	S	*	*	S	Bend	trans	-89.9	-24.6	177.1	0	0	0	0	0	114.1	Y7	A3-Y7 WeakPolarHBondContact O-CD2 3.25Å
4	R	48.9	Very low	56.3	Low	230 Å²	230	132.1 Å²	132.1	87%	0.868	67%	0.671	S	S	*	*	H	α-helix	trans	-79.6	-19.4	179.8	-79.5	-174.6	174.9	178.3	-1.4	114.6
5	K	51.1	Low	56.6	Low	174 Å²	174	128.4 Å²	128.4	76%	0.757	66%	0.661	S	S	*	*	H	α-helix	trans	-81.4	-23.2	-179.8	-79.4	-175.1	175.1	-178.5	0	114.1
6	K	51.2	Low	56.8	Low	162 Å²	162	124.9 Å²	124.9	70%	0.704	65%	0.651	S	S	*	*	H	α-helix	trans	-77.4	-33.8	179.7	-83.1	-176.6	173.8	-179.9	0	113.5	L10	K6-L10 PolarHBondContact O-N 3.47Å
7	Y	51.9	Low	56.8	Low	186 Å²	186	129.1 Å²	129.1	73%	0.729	66%	0.656	S	S	*	*	H	α-helix	trans	-76.4	-29.5	179.8	-69.5	-75.3	0	0	0	113.6	A3 G11	A3-Y7 WeakPolarHBondContact O-CD2 3.25Å; Y7-G11 PolarHBondContact O-N 3.48Å; Y7-G11 VanDerWaalsContact O-N 3.09Å
8	V	61.6	Low	56.9	Low	96 Å²	96	128.2 Å²	128.2	58%	0.582	65%	0.653	S	S	*	*	H	α-helix	trans	-70.4	-38.1	175.6	177	0	0	0	0	111.2	G11 L12	V8-G11 PolarHBondContact O-N 3.46Å; V8-L12 HydrophobicContact CG1-CD1 3.95Å; V8-L12 PolarHBondContact O-N 3.29Å
9	L	57.8	Low	57.2	Low	121 Å²	121	126.1 Å²	126.1	63%	0.634	65%	0.646	S	S	*	*	H	α-helix	trans	-69.1	-38.3	178.8	-149.7	83.6	0	0	0	112.2	L12 C13	L9-L12 PolarHBondContact O-N 3.21Å; L9-C13 PolarHBondContact O-N 3.31Å; L9-C13 PolarHBondContact O-SG 2.98Å; L9-C13 VanDerWaalsContact O-SG 3.39Å
10	L	60.1	Low	57.1	Low	125 Å²	125	126.1 Å²	126.1	65%	0.654	65%	0.647	S	S	*	*	H	α-helix	trans	-67.8	-38.6	174.7	-98.1	141.3	0	0	0	112.4	K6 A14	K6-L10 PolarHBondContact O-N 3.47Å; L10-A14 WeakPolarHBondContact O-CB 3.13Å; L10-A14 PolarHBondContact O-N 3.11Å; L10-A14 VanDerWaalsContact O-N 3.1Å
11	G	66.8	Low	57.1	Low	36 Å²	36	128 Å²	128	37%	0.371	65%	0.651	S	S	.	*	H	α-helix	trans	-64.6	-40.3	173.8	0	0	0	0	0	113.2	Y7 V8 A14 C15	Y7-G11 PolarHBondContact O-N 3.48Å; Y7-G11 VanDerWaalsContact O-N 3.09Å; V8-G11 PolarHBondContact O-N 3.46Å; G11-A14 PolarHBondContact O-N 3.45Å; G11-C15 WeakPolarHBondContact O-CB 3.14Å; G11-C15 PolarHBondContact O-N 3.32Å; G11-C15 PolarHBondContact O-SG 3.39Å
12	L	63.5	Low	57.2	Low	102 Å²	102	126.5 Å²	126.5	53%	0.534	63%	0.634	S	S	.	*	H	α-helix	trans	-67.8	-41.4	177	-84.2	158.4	0	0	0	112.4	V8 L9 A14 C15 C16	V8-L12 HydrophobicContact CG1-CD1 3.95Å; V8-L12 PolarHBondContact O-N 3.29Å; L9-L12 PolarHBondContact O-N 3.21Å; L12-A14 PolarHBondContact O-N 3.36Å; L12-C15 PolarHBondContact O-N 3.45Å; L12-C16 WeakPolarHBondContact O-CB 3.25Å; L12-C16 PolarHBondContact O-N 3.44Å; L12-C16 PolarHBondContact O-SG 3.04Å
13	C	59.9	Low	57.2	Low	78 Å²	78	122.4 Å²	122.4	53%	0.527	62%	0.623	S	S	.	*	H	α-helix	trans	-65.4	-38.6	176.2	-72.4	0	0	0	0	112.4	L9 C16 W17	L9-C13 PolarHBondContact O-N 3.31Å; L9-C13 PolarHBondContact O-SG 2.98Å; L9-C13 VanDerWaalsContact O-SG 3.39Å; C13-C16 PolarHBondContact O-N 2.92Å; C13-W17 PolarHBondContact O-N 3.46Å; C13-W17 VanDerWaalsContact O-N 3.1Å
14	A	62.5	Low	56.9	Low	54 Å²	54	120.5 Å²	120.5	45%	0.446	61%	0.611	S	S	.	*	H	α-helix	trans	-67.1	-38.9	175.9	0	0	0	0	0	112.3	L10 G11 L12 W17 L18	L10-A14 WeakPolarHBondContact O-CB 3.13Å; L10-A14 PolarHBondContact O-N 3.11Å; L10-A14 VanDerWaalsContact O-N 3.1Å; G11-A14 PolarHBondContact O-N 3.45Å; L12-A14 PolarHBondContact O-N 3.36Å; A14-W17 PolarHBondContact O-N 2.99Å; A14-L18 PolarHBondContact O-N 3.14Å; A14-L18 VanDerWaalsContact O-N 3.13Å
15	C	61.5	Low	56.7	Low	77 Å²	77	111.7 Å²	111.7	52%	0.52	59%	0.592	S	S	.	*	H	α-helix	trans	-68.6	-40.4	175.5	-68.9	0	0	0	0	112.1	G11 L12 W17 L18 V19	G11-C15 WeakPolarHBondContact O-CB 3.14Å; G11-C15 PolarHBondContact O-N 3.32Å; G11-C15 PolarHBondContact O-SG 3.39Å; L12-C15 PolarHBondContact O-N 3.45Å; C15-W17 VanDerWaalsContact C-N 3.33Å; C15-W17 PolarHBondContact O-N 3.31Å; C15-L18 PolarHBondContact O-N 3.03Å; C15-V19 VanDerWaalsContact O-CG2 3.32Å; C15-V19 WeakPolarHBondContact O-CG2 3.36Å; C15-V19 PolarHBondContact O-N 3.42Å
16	C	60	Low	56.4	Low	73 Å²	73	105.3 Å²	105.3	49%	0.493	58%	0.576	S	S	.	*	H	α-helix	trans	-64.5	-36	176.3	-76.5	0	0	0	0	112.6	L12 C13 L20	L12-C16 WeakPolarHBondContact O-CB 3.25Å; L12-C16 PolarHBondContact O-N 3.44Å; L12-C16 PolarHBondContact O-SG 3.04Å; C13-C16 PolarHBondContact O-N 2.92Å; C16-L20 WeakPolarHBondContact O-CB 3.45Å; C16-L20 PolarHBondContact O-N 3.45Å
17	W	56.6	Low	56.1	Low	195 Å²	195	102.5 Å²	102.5	74%	0.739	57%	0.572	S	S	*	*	H	α-helix	trans	-68.2	-39.8	174.6	-106.3	69.5	0	0	0	112.8	C13 A14 C15 L20 F21	C13-W17 PolarHBondContact O-N 3.46Å; C13-W17 VanDerWaalsContact O-N 3.1Å; A14-W17 PolarHBondContact O-N 2.99Å; C15-W17 VanDerWaalsContact C-N 3.33Å; C15-W17 PolarHBondContact O-N 3.31Å; W17-L20 PolarHBondContact O-N 3.39Å; W17-F21 PolarHBondContact O-N 3.47Å; W17-F21 VanDerWaalsContact O-N 3.1Å
18	L	58.5	Low	55.7	Low	114 Å²	114	100.8 Å²	100.8	60%	0.597	57%	0.571	S	S	*	*	H	α-helix	trans	-66.9	-38.5	176	-85.2	159	0	0	0	112.4	A14 C15 F21 Y22	A14-L18 PolarHBondContact O-N 3.14Å; A14-L18 VanDerWaalsContact O-N 3.13Å; C15-L18 PolarHBondContact O-N 3.03Å; L18-F21 PolarHBondContact O-N 3.44Å; L18-Y22 PolarHBondContact O-N 3.34Å
19	V	61.4	Low	54.9	Low	88 Å²	88	102 Å²	102	53%	0.533	57%	0.573	S	S	.	*	H	α-helix	trans	-68.8	-38.8	176.1	173.7	0	0	0	0	111.5	C15 F21 Y22 C23	C15-V19 VanDerWaalsContact O-CG2 3.32Å; C15-V19 WeakPolarHBondContact O-CG2 3.36Å; C15-V19 PolarHBondContact O-N 3.42Å; V19-F21 VanDerWaalsContact C-N 3.33Å; V19-F21 PolarHBondContact O-N 3.42Å; V19-Y22 PolarHBondContact O-N 3.45Å; V19-C23 VanDerWaalsContact O-CB 3.24Å; V19-C23 WeakPolarHBondContact O-CB 3.24Å; V19-C23 PolarHBondContact O-N 3.28Å
20	L	56.9	Low	54.1	Low	126 Å²	126	105.4 Å²	105.4	66%	0.66	58%	0.578	S	S	*	*	H	α-helix	trans	-64.2	-36.2	174.4	-84.5	162.1	0	0	0	112.5	C16 W17 G24	C16-L20 WeakPolarHBondContact O-CB 3.45Å; C16-L20 PolarHBondContact O-N 3.45Å; W17-L20 PolarHBondContact O-N 3.39Å; L20-G24 WeakPolarHBondContact O-CA 3.32Å; L20-G24 PolarHBondContact O-N 2.85Å
21	F	56.1	Low	53.2	Low	165 Å²	165	105.4 Å²	105.4	72%	0.724	58%	0.578	S	S	*	*	H	α-helix	trans	-72.6	-39.5	177.5	-140.4	-90.8	0	0	0	112.4	W17 L18 V19	W17-F21 PolarHBondContact O-N 3.47Å; W17-F21 VanDerWaalsContact O-N 3.1Å; L18-F21 PolarHBondContact O-N 3.44Å; V19-F21 VanDerWaalsContact C-N 3.33Å; V19-F21 PolarHBondContact O-N 3.42Å
22	Y	53.8	Low	52	Low	204 Å²	204	109.8 Å²	109.8	80%	0.8	59%	0.592	S	S	*	*	H	α-helix	trans	-79.3	-35.4	-179.8	-109.5	-89.6	0	0	0	113.7	L18 V19	L18-Y22 PolarHBondContact O-N 3.34Å; V19-Y22 PolarHBondContact O-N 3.45Å
23	C	52.1	Low	50.7	Low	90 Å²	90	114.3 Å²	114.3	61%	0.608	60%	0.602	S	S	*	*	H	α-helix	trans	-90.6	-24.4	-179.5	-65.1	0	0	0	0	113.4	V19	V19-C23 VanDerWaalsContact O-CB 3.24Å; V19-C23 WeakPolarHBondContact O-CB 3.24Å; V19-C23 PolarHBondContact O-N 3.28Å
24	G	43.5	Very low	49.6	Very low	34 Å²	34	117.7 Å²	117.7	35%	0.351	61%	0.614	S	S	.	*	H	α-helix	trans	-78.9	-25.8	178.3	0	0	0	0	0	114.8	L20 G26	L20-G24 WeakPolarHBondContact O-CA 3.32Å; L20-G24 PolarHBondContact O-N 2.85Å; G24-G26 VanDerWaalsContact C-N 3.27Å; G24-G26 PolarHBondContact O-N 2.78Å
25	G	43.8	Very low	48.4	Very low	45 Å²	45	122.1 Å²	122.1	46%	0.464	63%	0.629	S	S	.	*	H	α-helix	trans	-68.5	-19.4	-177.6	0	0	0	0	0	115.1
26	G	45	Very low	47.3	Very low	41 Å²	41	123.7 Å²	123.7	42%	0.423	64%	0.637	S	S	.	*	H	α-helix	trans	-87.8	-23.8	-178	0	0	0	0	0	115.2	G24	G24-G26 VanDerWaalsContact C-N 3.27Å; G24-G26 PolarHBondContact O-N 2.78Å
27	V	44.7	Very low	45.8	Very low	103 Å²	103	130.9 Å²	130.9	62%	0.624	65%	0.653	S	S	*	*	H	α-helix	trans	-89.6	-32.3	-171.8	-178.9	0	0	0	0	111.9	R30 L31	V27-R30 PolarHBondContact O-N 3.16Å; V27-L31 PolarHBondContact O-N 2.78Å
28	Q	44.2	Very low	44.6	Very low	150 Å²	150	129.4 Å²	129.4	70%	0.701	65%	0.654	S	S	*	*	H	α-helix	trans	-69	-32.1	172.1	-81.8	176.3	-33.1	0	0	112.8	L32	Q28-L32 WeakPolarHBondContact O-CD1 3.36Å; Q28-L32 PolarHBondContact O-N 3Å
29	L	44.8	Very low	43.2	Very low	120 Å²	120	135.3 Å²	135.3	63%	0.628	67%	0.669	S	S	*	*	H	α-helix	trans	-74	-26.6	177.6	-119.3	86.3	0	0	0	113.5	R33	L29-R33 PolarHBondContact O-N 2.98Å
30	R	40.5	Very low	41.7	Very low	194 Å²	194	136.2 Å²	136.2	73%	0.732	68%	0.679	S	S	*	*	H	α-helix	trans	-80.3	-31.5	177.6	-78.4	-176.5	176.8	-174.3	-0.1	112.6	V27 R33 L34	V27-R30 PolarHBondContact O-N 3.16Å; R30-R33 PolarHBondContact O-N 2.74Å; R30-L34 PolarHBondContact O-N 3.43Å
31	L	41.8	Very low	40.5	Very low	125 Å²	125	136.2 Å²	136.2	65%	0.654	68%	0.679	S	S	*	*	H	α-helix	trans	-70.4	-36.2	173.9	-128.4	85.9	0	0	0	112.4	V27 R33 L34	V27-L31 PolarHBondContact O-N 2.78Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 2.77Å; L31-L34 PolarHBondContact O-N 3.02Å
32	L	41.1	Very low	39.5	Very low	127 Å²	127	134.3 Å²	134.3	67%	0.665	68%	0.681	S	S	*	*	H	α-helix	trans	-70.5	-25.5	174.9	-95.9	106.4	0	0	0	113.9	Q28 T36	Q28-L32 WeakPolarHBondContact O-CD1 3.36Å; Q28-L32 PolarHBondContact O-N 3Å; L32-T36 PolarHBondContact O-OG1 3.45Å
33	R	36.1	Very low	38.4	Very low	197 Å²	197	132.8 Å²	132.8	74%	0.743	69%	0.686	S	S	*	*	H	α-helix	trans	-78.5	-19.7	176.1	-93	-178.2	172.4	179.4	-0.7	114	L29 R30 L31	L29-R33 PolarHBondContact O-N 2.98Å; R30-R33 PolarHBondContact O-N 2.74Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 2.77Å
34	L	37.4	Very low	37.3	Very low	149 Å²	149	138.1 Å²	138.1	78%	0.78	69%	0.693	S	S	*	*	H	α-helix	trans	-83.5	-19.5	174.7	-99.1	119	0	0	0	113.4	R30 L31	R30-L34 PolarHBondContact O-N 3.43Å; L31-L34 PolarHBondContact O-N 3.02Å
35	L	36.6	Very low	36.9	Very low	148 Å²	148	142.1 Å²	142.1	78%	0.775	71%	0.713	S	S	*	*	S	Bend	trans	-89.4	0.2	176.5	-82.9	153	0	0	0	114
36	T	38.6	Very low	36.3	Very low	110 Å²	110	149.6 Å²	149.6	68%	0.675	73%	0.728	S	S	*	*			trans	-131.9	64.3	-176.7	48.4	0	0	0	0	111.4	L32	L32-T36 PolarHBondContact O-OG1 3.45Å
37	R	29.2	Very low	36	Very low	224 Å²	224	151.5 Å²	151.5	85%	0.845	73%	0.732	S	S	*	*			trans	-127.5	105.1	168.3	-152.5	172	179.5	-177.6	-2.4	111.7
38	H	30.6	Very low	35.5	Very low	164 Å²	164	151.9 Å²	151.9	76%	0.759	73%	0.731	S	S	*	*			trans	59.9	100.9	159.5	-85	-49.9	0	0	0	120.4
39	R	28.9	Very low	35.4	Very low	237 Å²	237	153.8 Å²	153.8	89%	0.894	73%	0.732	S	S	*	*				-97.1	134.1	117.3	-93.4	-179.6	171.6	177.6	-2.5	107.5	D41	R39-D41 PolarHBondContact O-N 3.1Å
40	S	30.5	Very low	35.3	Very low	107 Å²	107	149.7 Å²	149.7	75%	0.748	71%	0.712	S	S	*	*			trans	-55.1	98.8	174.9	41.8	0	0	0	0	110.8	V42	S40-V42 PolarHBondContact O-N 3.39Å
41	D	31.8	Very low	35.3	Very low	126 Å²	126	146.5 Å²	146.5	67%	0.674	71%	0.709	S	S	*	*			trans	-72.3	113.9	169.6	-98.5	-40.1	0	0	0	108.3	R39 L43 R44	R39-D41 PolarHBondContact O-N 3.1Å; D41-L43 PolarHBondContact O-N 3.04Å; D41-R44 IonicContact OD1-NE 3.36Å; D41-R44 IonicContact OD1-NH2 3.26Å
42	V	34.3	Very low	35.2	Very low	125 Å²	125	144.1 Å²	144.1	76%	0.758	69%	0.692	S	S	*	*			trans	-47.3	132.8	157.9	176.3	0	0	0	0	107.8	S40 R44	S40-V42 PolarHBondContact O-N 3.39Å; V42-R44 PolarHBondContact O-N 3.45Å
43	L	31.4	Very low	35.2	Very low	173 Å²	173	140.7 Å²	140.7	91%	0.906	68%	0.682	S	S	*	*			trans	-46.1	98.9	171.5	-89	145.8	0	0	0	109.8	D41	D41-L43 PolarHBondContact O-N 3.04Å
44	R	28.6	Very low	35.2	Very low	202 Å²	202	138.6 Å²	138.6	76%	0.762	68%	0.678	S	S	*	*			trans	-71.7	130.3	173.5	-69.3	-174.4	-175.2	-160.3	1.7	107.7	D41 V42	D41-R44 IonicContact OD1-NE 3.36Å; D41-R44 IonicContact OD1-NH2 3.26Å; V42-R44 PolarHBondContact O-N 3.45Å
45	P	34.7	Very low	35.2	Very low	118 Å²	118	135 Å²	135	77%	0.766	66%	0.66	S	S	*	*			trans	-60.7	158.6	165.1	-12.6	27.4	0	0	0	109.7
46	W	32.6	Very low	35.3	Very low	202 Å²	202	131.8 Å²	131.8	77%	0.765	65%	0.647	S	S	*	*	S	Bend	trans	-23.3	149.9	168.2	-100.8	68.1	0	0	0	115.9	N48	W46-N48 PolarHBondContact O-N 2.98Å; W46-N48 VanDerWaalsContact O-N 3.17Å
47	P	36.8	Very low	35.8	Very low	81 Å²	81	132.8 Å²	132.8	53%	0.526	64%	0.639	S	S	.	*			trans	-57.3	125.8	-176.3	-8.7	18.2	0	0	0	111.2	W49	P47-W49 VanDerWaalsContact C-N 3.3Å; P47-W49 HydrophobicContact CB-CZ2 4.46Å; P47-W49 HydrophobicContact CG-CZ2 4.32Å; P47-W49 PolarHBondContact O-N 3.31Å
48	N	34.8	Very low	36.9	Very low	110 Å²	110	124.6 Å²	124.6	59%	0.588	61%	0.608	S	S	*	*			trans	-70.6	86.2	170.7	-82.8	-15.1	0	0	0	108.9	W46 T50 F54	W46-N48 PolarHBondContact O-N 2.98Å; W46-N48 VanDerWaalsContact O-N 3.17Å; N48-T50 PolarHBondContact O-N 3.13Å; N48-F54 HydrophobicContact CB-CE2 3.97Å; N48-F54 HydrophobicContact CB-CZ 4.3Å
49	W	42.7	Very low	37.6	Very low	190 Å²	190	116.9 Å²	116.9	72%	0.72	57%	0.573	S	S	*	*			trans	-65.9	5.8	179.1	-67.4	97.2	0	0	0	115	P47	P47-W49 VanDerWaalsContact C-N 3.3Å; P47-W49 HydrophobicContact CB-CZ2 4.46Å; P47-W49 HydrophobicContact CG-CZ2 4.32Å; P47-W49 PolarHBondContact O-N 3.31Å
50	T	42.3	Very low	38.8	Very low	35 Å²	35	108.6 Å²	108.6	22%	0.215	54%	0.544	C	S	.	.			trans	-97.1	96	172.8	55.2	0	0	0	0	109	N48 R52 A53 L466	N48-T50 PolarHBondContact O-N 3.13Å; T50-R52 PolarHBondContact O-N 3.1Å; T50-A53 WeakPolarHBondContact O-CB 3.34Å; T50-A53 PolarHBondContact O-N 3.44Å; T50-A53 WeakPolarHBondContact OG1-CB 3.32Å; T50-L466 HydrophobicContact CG2-CD2 4.48Å
51	D	40.7	Very low	39.9	Very low	127 Å²	127	106 Å²	106	68%	0.679	52%	0.521	S	S	*	.	H	α-helix	trans	-52.1	-24.7	163.6	-71.1	-32.1	0	0	0	111	A53 F54 L55	D51-A53 VanDerWaalsContact C-N 3.29Å; D51-A53 PolarHBondContact O-N 3.49Å; D51-F54 CarbonylContact O-C 3.59Å; D51-F54 PolarHBondContact O-N 3.43Å; D51-F54 VanDerWaalsContact O-N 3.08Å; D51-L55 VanDerWaalsContact O-CG 3.31Å; D51-L55 WeakPolarHBondContact O-CG 3.26Å; D51-L55 PolarHBondContact O-N 2.93Å
52	R	40.6	Very low	41	Very low	75 Å²	75	105.3 Å²	105.3	28%	0.283	52%	0.518	S	S	.	.	H	α-helix	trans	-58.6	-27.2	170.1	-103	-176.2	175.4	171	1.3	115.6	T50 F54 L466 D582	T50-R52 PolarHBondContact O-N 3.1Å; R52-F54 VanDerWaalsContact C-N 3.33Å; R52-L466 HydrophobicContact CB-CD2 3.56Å; R52-L466 HydrophobicContact CG-CD2 4.45Å; R52-D582 IonicContact NH1-OD2 2.73Å
53	A	39.8	Very low	42	Very low	55 Å²	55	103.8 Å²	103.8	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-77.7	-22.8	175.4	0	0	0	0	0	112.1	T50 D51 L466	T50-A53 WeakPolarHBondContact O-CB 3.34Å; T50-A53 PolarHBondContact O-N 3.44Å; T50-A53 WeakPolarHBondContact OG1-CB 3.32Å; D51-A53 VanDerWaalsContact C-N 3.29Å; D51-A53 PolarHBondContact O-N 3.49Å; A53-L466 HydrophobicContact CB-CD1 4.48Å
54	F	36.5	Very low	42.8	Very low	152 Å²	152	96 Å²	96	67%	0.667	46%	0.462	S	S	*	.	H	α-helix	trans	-97.5	-20	177.1	-63.5	-74.4	0	0	0	113	N48 D51 R52	N48-F54 HydrophobicContact CB-CE2 3.97Å; N48-F54 HydrophobicContact CB-CZ 4.3Å; D51-F54 CarbonylContact O-C 3.59Å; D51-F54 PolarHBondContact O-N 3.43Å; D51-F54 VanDerWaalsContact O-N 3.08Å; R52-F54 VanDerWaalsContact C-N 3.33Å
55	L	38.3	Very low	43.7	Very low	75 Å²	75	92.7 Å²	92.7	39%	0.393	46%	0.455	S	S	.	.	S	Bend	trans	-70.2	130.1	166.3	-70	169.5	0	0	0	108.6	D51 R57	D51-L55 VanDerWaalsContact O-CG 3.31Å; D51-L55 WeakPolarHBondContact O-CG 3.26Å; D51-L55 PolarHBondContact O-N 2.93Å; L55-R57 PolarHBondContact O-N 3.49Å
56	P	37.3	Very low	44	Very low	80 Å²	80	91 Å²	91	52%	0.519	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-49.3	135.1	173.3	-23.6	31.6	0	0	0	109.9	Y58	P56-Y58 PolarHBondContact O-N 3.5Å
57	R	50.4	Low	44.4	Very low	131 Å²	131	83.4 Å²	83.4	49%	0.494	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-54.7	139.6	-176.1	-68.2	-179.5	177.9	177.8	-2.9	110.3	L55 A59	L55-R57 PolarHBondContact O-N 3.49Å; R57-A59 VanDerWaalsContact C-N 3.34Å; R57-A59 PolarHBondContact O-N 3.37Å
58	Y	50.6	Low	44.5	Very low	52 Å²	52	84.1 Å²	84.1	20%	0.204	42%	0.421	C	S	.	.	S	Bend	trans	-29.1	-71.1	162.2	43.8	-139.5	0	0	0	112.2	P56 H399 Q402 R403 Y443	P56-Y58 PolarHBondContact O-N 3.5Å; Y58-H399 PolarHBondContact O-NE2 2.92Å; Y58-H399 VanDerWaalsContact O-NE2 3.09Å; Y58-Q402 HydrophobicContact CD1-CB 4.26Å; Y58-Q402 HydrophobicContact CE1-CG 4.43Å; Y58-R403 VanDerWaalsContact C-CZ 3.41Å; Y58-R403 VanDerWaalsContact C-NH2 3.33Å; Y58-R403 PolarHBondContact O-NE 3.38Å; Y58-R403 PolarHBondContact O-NH2 2.95Å; Y58-Y443 HydrophobicContact CD2-CE2 4.35Å
59	A	45.7	Very low	44.7	Very low	1 Å²	1	79.5 Å²	79.5	1%	0.008	40%	0.4	C	S	.	.	S	Bend	trans	-138.7	133.9	-176.9	0	0	0	0	0	106.2	R57 L64 Y439	R57-A59 VanDerWaalsContact C-N 3.34Å; R57-A59 PolarHBondContact O-N 3.37Å; A59-L64 HydrophobicContact CB-CD1 3.21Å; A59-L64 HydrophobicContact CB-CD2 4.37Å; A59-L64 HydrophobicContact CB-CG 3.78Å; A59-Y439 HydrophobicContact CB-CE2 4.22Å
60	H	54.7	Low	44.3	Very low	64 Å²	64	75.2 Å²	75.2	30%	0.296	40%	0.399	S	S	.	.			trans	-78.4	135.1	165.6	-69.5	-89.3	0	0	0	108.2	D62 E63 L64	H60-D62 PolarHBondContact O-N 3.23Å; H60-E63 HydrophobicContact CB-CB 4Å; H60-E63 HydrophobicContact CB-CG 3.82Å; H60-E63 IonicContact CD2-OE1 3.13Å; H60-E63 IonicContact CD2-OE2 3.22Å; H60-E63 PolarHBondContact O-N 3.03Å; H60-L64 PolarHBondContact O-N 3.02Å
61	L	53	Low	44.2	Very low	52 Å²	52	77.9 Å²	77.9	27%	0.272	42%	0.424	S	S	.	.	H	α-helix	trans	-53.6	-40.7	173.6	-160.9	89.7	0	0	0	109.2	E63 L64 Q65 Y439 L458 L468	L61-E63 PolarHBondContact O-N 3.49Å; L61-L64 PolarHBondContact O-N 3.47Å; L61-Q65 HydrophobicContact CG-CG 4.36Å; L61-Q65 WeakPolarHBondContact O-CB 3.5Å; L61-Q65 VanDerWaalsContact O-CG 3.23Å; L61-Q65 WeakPolarHBondContact O-CG 3.39Å; L61-Q65 PolarHBondContact O-N 3.43Å; L61-Y439 HydrophobicContact CD1-CD2 3.74Å; L61-Y439 HydrophobicContact CD1-CE2 4.03Å; L61-Y439 HydrophobicContact CD1-CG 4.25Å; L61-L458 HydrophobicContact CD1-CD1 3.96Å; L61-L468 HydrophobicContact CD1-CD2 4.31Å
62	D	54.5	Low	44.3	Very low	111 Å²	111	77 Å²	77	59%	0.594	42%	0.416	S	S	*	.	H	α-helix	trans	-61.7	-41.8	176.4	-51.5	-40	0	0	0	112.3	H60 Q65 T66	H60-D62 PolarHBondContact O-N 3.23Å; D62-Q65 PolarHBondContact O-N 3.43Å; D62-T66 WeakPolarHBondContact O-CB 3.49Å; D62-T66 VanDerWaalsContact O-CG2 3.28Å; D62-T66 WeakPolarHBondContact O-CG2 3.39Å; D62-T66 PolarHBondContact O-N 3.26Å; D62-T66 PolarHBondContact O-OG1 3.37Å
63	E	55.3	Low	44.1	Very low	93 Å²	93	75.7 Å²	75.7	44%	0.435	42%	0.419	S	S	.	.	H	α-helix	trans	-70.3	-30.7	177.9	-73.8	174.3	173.9	0	0	113.2	H60 L61 T66	H60-E63 HydrophobicContact CB-CB 4Å; H60-E63 HydrophobicContact CB-CG 3.82Å; H60-E63 IonicContact CD2-OE1 3.13Å; H60-E63 IonicContact CD2-OE2 3.22Å; H60-E63 PolarHBondContact O-N 3.03Å; L61-E63 PolarHBondContact O-N 3.49Å; E63-T66 VanDerWaalsContact C-OG1 3.31Å; E63-T66 VanDerWaalsContact CA-OG1 3.25Å; E63-T66 WeakPolarHBondContact CA-OG1 3.39Å; E63-T66 PolarHBondContact O-OG1 3.36Å
64	L	49.5	Very low	44.4	Very low	10 Å²	10	77.7 Å²	77.7	5%	0.052	43%	0.427	C	S	.	.	H	α-helix	trans	-86.3	-22	177.7	-69.7	176.5	0	0	0	113	A59 H60 L61 Q369 Y439 N442	A59-L64 HydrophobicContact CB-CD1 3.21Å; A59-L64 HydrophobicContact CB-CD2 4.37Å; A59-L64 HydrophobicContact CB-CG 3.78Å; H60-L64 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.47Å; L64-Q369 HydrophobicContact CD2-CG 4.35Å; L64-Y439 HydrophobicContact CB-CD2 4.49Å; L64-Y439 HydrophobicContact CD1-CD2 3.2Å; L64-Y439 HydrophobicContact CD1-CE2 3.76Å; L64-Y439 HydrophobicContact CD1-CG 3.95Å; L64-Y439 HydrophobicContact CG-CD2 4.42Å; L64-N442 HydrophobicContact CD2-CB 4.2Å
65	Q	46.8	Very low	44.7	Very low	133 Å²	133	79.9 Å²	79.9	62%	0.621	43%	0.431	S	S	*	.	H	α-helix	trans	-90.3	-27.1	173.4	-74.3	-179.2	-12.7	0	0	112.4	L61 D62 D67	L61-Q65 HydrophobicContact CG-CG 4.36Å; L61-Q65 WeakPolarHBondContact O-CB 3.5Å; L61-Q65 VanDerWaalsContact O-CG 3.23Å; L61-Q65 WeakPolarHBondContact O-CG 3.39Å; L61-Q65 PolarHBondContact O-N 3.43Å; D62-Q65 PolarHBondContact O-N 3.43Å; Q65-D67 VanDerWaalsContact C-N 3.25Å; Q65-D67 PolarHBondContact O-N 3.21Å
66	T	40.8	Very low	44.9	Very low	82 Å²	82	81.1 Å²	81.1	50%	0.503	43%	0.434	S	S	.	.	S	Bend	trans	-65.5	93.6	164.7	46.9	0	0	0	0	107.9	D62 E63 P68	D62-T66 WeakPolarHBondContact O-CB 3.49Å; D62-T66 VanDerWaalsContact O-CG2 3.28Å; D62-T66 WeakPolarHBondContact O-CG2 3.39Å; D62-T66 PolarHBondContact O-N 3.26Å; D62-T66 PolarHBondContact O-OG1 3.37Å; E63-T66 VanDerWaalsContact C-OG1 3.31Å; E63-T66 VanDerWaalsContact CA-OG1 3.25Å; E63-T66 WeakPolarHBondContact CA-OG1 3.39Å; E63-T66 PolarHBondContact O-OG1 3.36Å; T66-P68 WeakPolarHBondContact O-CD 3.49Å
67	D	41	Very low	45.2	Very low	42 Å²	42	81.1 Å²	81.1	23%	0.225	42%	0.424	C	S	.	.			trans	-51.7	123.1	162	-134.1	-0.5	0	0	0	106.6	Q65 G69 S70 R77 R438	Q65-D67 VanDerWaalsContact C-N 3.25Å; Q65-D67 PolarHBondContact O-N 3.21Å; D67-G69 PolarHBondContact O-N 3.48Å; D67-S70 WeakPolarHBondContact O-CB 3.47Å; D67-S70 PolarHBondContact O-N 3.03Å; D67-S70 PolarHBondContact O-OG 2.95Å; D67-R77 IonicContact OD1-NH2 3.37Å; D67-R77 IonicContact OD2-CZ 3.42Å; D67-R77 VanDerWaalsContact OD2-CZ 3.31Å; D67-R77 IonicContact OD2-NH1 3.61Å; D67-R77 PolarHBondContact OD2-NH1 3.33Å; D67-R77 IonicContact OD2-NH2 2.76Å; D67-R77 PolarHBondContact OD2-NH2 2.74Å; D67-R438 IonicContact OD1-CZ 3.54Å; D67-R438 IonicContact OD1-NH1 3.36Å; D67-R438 PolarHBondContact OD1-NH1 3.43Å
68	P	39.6	Very low	45.1	Very low	96 Å²	96	83.8 Å²	83.8	62%	0.623	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-56.4	-17.5	168.5	-20.5	31.6	0	0	0	111.5	T66	T66-P68 WeakPolarHBondContact O-CD 3.49Å
69	G	38.8	Very low	44.7	Very low	14 Å²	14	86.6 Å²	86.6	14%	0.144	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-86.6	10.1	172.4	0	0	0	0	0	116.1	D67 A71 E72	D67-G69 PolarHBondContact O-N 3.48Å; G69-A71 PolarHBondContact O-N 3.17Å; G69-E72 PolarHBondContact O-N 3.36Å; G69-E72 VanDerWaalsContact O-N 3.12Å
70	S	33.9	Very low	44.6	Very low	99 Å²	99	89 Å²	89	69%	0.692	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-71	-8.8	172.4	55.6	0	0	0	0	113.4	D67	D67-S70 WeakPolarHBondContact O-CB 3.47Å; D67-S70 PolarHBondContact O-N 3.03Å; D67-S70 PolarHBondContact O-OG 2.95Å
71	A	40.8	Very low	44	Very low	91 Å²	91	94 Å²	94	75%	0.752	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-84.2	-11.1	168.1	0	0	0	0	0	113.7	G69	G69-A71 PolarHBondContact O-N 3.17Å
72	E	42.4	Very low	43.4	Very low	109 Å²	109	95 Å²	95	51%	0.509	50%	0.497	S	S	.	.	S	Bend	trans	-103.9	121.6	179.4	-70.2	-174.3	160.2	0	0	110.6	G69	G69-E72 PolarHBondContact O-N 3.36Å; G69-E72 VanDerWaalsContact O-N 3.12Å
73	S	36.5	Very low	42.7	Very low	48 Å²	48	95.4 Å²	95.4	34%	0.336	50%	0.504	S	S	.	.			trans	-58.3	148	-179	68.2	0	0	0	0	111	R75 Q76 R77	S73-R75 PolarHBondContact O-N 3.09Å; S73-Q76 VanDerWaalsContact N-OE1 3.11Å; S73-Q76 CarbonylContact O-C 3.57Å; S73-Q76 WeakPolarHBondContact O-CA 3.35Å; S73-Q76 WeakPolarHBondContact O-CB 3.19Å; S73-Q76 PolarHBondContact O-N 3.39Å; S73-Q76 WeakPolarHBondContact OG-CB 3.5Å; S73-Q76 WeakPolarHBondContact OG-CG 3.16Å; S73-Q76 PolarHBondContact OG-N 3.34Å; S73-Q76 PolarHBondContact OG-OE1 3.37Å; S73-Q76 VanDerWaalsContact OG-OE1 3.06Å; S73-R77 PolarHBondContact O-N 3.09Å
74	P	46.8	Very low	42.1	Very low	96 Å²	96	94.9 Å²	94.9	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-53.4	-24.2	173.1	-27	34.2	0	0	0	113.3	R78	P74-R78 WeakPolarHBondContact O-CB 3.5Å; P74-R78 VanDerWaalsContact O-CG 3.27Å; P74-R78 WeakPolarHBondContact O-CG 3.46Å; P74-R78 PolarHBondContact O-N 2.91Å
75	R	42.1	Very low	42	Very low	199 Å²	199	99 Å²	99	75%	0.751	52%	0.522	S	S	*	.	H	α-helix	trans	-75.2	-39.9	174.7	-138.6	176.1	-174.9	172	0.4	112	S73 R78 Q79	S73-R75 PolarHBondContact O-N 3.09Å; R75-R78 PolarHBondContact O-N 3.1Å; R75-Q79 VanDerWaalsContact O-CB 3.29Å; R75-Q79 WeakPolarHBondContact O-CB 3.43Å; R75-Q79 VanDerWaalsContact O-CG 3.32Å; R75-Q79 WeakPolarHBondContact O-CG 3.3Å; R75-Q79 PolarHBondContact O-N 3.05Å
76	Q	42.5	Very low	41.5	Very low	100 Å²	100	103.5 Å²	103.5	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-69.8	-37.7	171.1	-80.3	164.1	-39.4	0	0	112.5	S73 Q79 A80	S73-Q76 VanDerWaalsContact N-OE1 3.11Å; S73-Q76 CarbonylContact O-C 3.57Å; S73-Q76 WeakPolarHBondContact O-CA 3.35Å; S73-Q76 WeakPolarHBondContact O-CB 3.19Å; S73-Q76 PolarHBondContact O-N 3.39Å; S73-Q76 WeakPolarHBondContact OG-CB 3.5Å; S73-Q76 WeakPolarHBondContact OG-CG 3.16Å; S73-Q76 PolarHBondContact OG-N 3.34Å; S73-Q76 PolarHBondContact OG-OE1 3.37Å; S73-Q76 VanDerWaalsContact OG-OE1 3.06Å; Q76-Q79 PolarHBondContact O-N 3.4Å; Q76-A80 VanDerWaalsContact O-CB 3.29Å; Q76-A80 WeakPolarHBondContact O-CB 3.21Å; Q76-A80 PolarHBondContact O-N 2.97Å
77	R	43.5	Very low	41.4	Very low	81 Å²	81	106 Å²	106	31%	0.306	54%	0.544	S	S	.	.	H	α-helix	trans	-57.9	-48.2	168.7	-94.6	179.4	170.4	174.7	-6	111.5	D67 S73 Q79 W81	D67-R77 IonicContact OD1-NH2 3.37Å; D67-R77 IonicContact OD2-CZ 3.42Å; D67-R77 VanDerWaalsContact OD2-CZ 3.31Å; D67-R77 IonicContact OD2-NH1 3.61Å; D67-R77 PolarHBondContact OD2-NH1 3.33Å; D67-R77 IonicContact OD2-NH2 2.76Å; D67-R77 PolarHBondContact OD2-NH2 2.74Å; S73-R77 PolarHBondContact O-N 3.09Å; R77-Q79 VanDerWaalsContact C-N 3.33Å; R77-Q79 PolarHBondContact O-N 3.49Å; R77-W81 WeakPolarHBondContact O-CB 3.3Å; R77-W81 VanDerWaalsContact O-CD1 3.25Å; R77-W81 PolarHBondContact O-N 3.44Å
78	R	48.8	Very low	42	Very low	186 Å²	186	110 Å²	110	70%	0.702	58%	0.575	S	S	*	*	H	α-helix	trans	-65.5	-35.4	175.3	-73.3	176.7	-165.1	-175.7	4.8	112.4	P74 R75 W81 S82	P74-R78 WeakPolarHBondContact O-CB 3.5Å; P74-R78 VanDerWaalsContact O-CG 3.27Å; P74-R78 WeakPolarHBondContact O-CG 3.46Å; P74-R78 PolarHBondContact O-N 2.91Å; R75-R78 PolarHBondContact O-N 3.1Å; R78-W81 CarbonylContact O-C 3.53Å; R78-S82 WeakPolarHBondContact O-CB 3.22Å; R78-S82 PolarHBondContact O-N 3.44Å; R78-S82 PolarHBondContact O-OG 3.25Å
79	Q	41.9	Very low	43.3	Very low	112 Å²	112	109.9 Å²	109.9	52%	0.523	56%	0.562	S	S	.	*	H	α-helix	trans	-70.8	-49.9	178.3	-82.7	173.9	-28.8	0	0	111.7	R75 Q76 R77 W81 S82 T83	R75-Q79 VanDerWaalsContact O-CB 3.29Å; R75-Q79 WeakPolarHBondContact O-CB 3.43Å; R75-Q79 VanDerWaalsContact O-CG 3.32Å; R75-Q79 WeakPolarHBondContact O-CG 3.3Å; R75-Q79 PolarHBondContact O-N 3.05Å; Q76-Q79 PolarHBondContact O-N 3.4Å; R77-Q79 VanDerWaalsContact C-N 3.33Å; R77-Q79 PolarHBondContact O-N 3.49Å; Q79-W81 VanDerWaalsContact C-N 3.26Å; Q79-W81 PolarHBondContact O-N 3.05Å; Q79-S82 WeakPolarHBondContact CA-OG 3.45Å; Q79-S82 CarbonylContact O-C 3.58Å; Q79-S82 WeakPolarHBondContact O-CA 3.48Å; Q79-S82 PolarHBondContact O-N 2.87Å; Q79-S82 PolarHBondContact O-OG 3.34Å; Q79-T83 PolarHBondContact O-N 2.73Å; Q79-T83 PolarHBondContact O-OG1 3.38Å
80	A	42.8	Very low	44.9	Very low	52 Å²	52	110.2 Å²	110.2	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-59.7	-34.1	172	0	0	0	0	0	112.4	Q76 S82 V84	Q76-A80 VanDerWaalsContact O-CB 3.29Å; Q76-A80 WeakPolarHBondContact O-CB 3.21Å; Q76-A80 PolarHBondContact O-N 2.97Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-V84 VanDerWaalsContact O-CG2 3.28Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å
81	W	43.7	Very low	47.2	Very low	168 Å²	168	111.1 Å²	111.1	64%	0.636	55%	0.55	S	S	*	*	H	α-helix	trans	-78.5	-9.9	172.2	-64.2	-2.5	0	0	0	114.1	R77 R78 Q79 Y85	R77-W81 WeakPolarHBondContact O-CB 3.3Å; R77-W81 VanDerWaalsContact O-CD1 3.25Å; R77-W81 PolarHBondContact O-N 3.44Å; R78-W81 CarbonylContact O-C 3.53Å; Q79-W81 VanDerWaalsContact C-N 3.26Å; Q79-W81 PolarHBondContact O-N 3.05Å; W81-Y85 WeakPolarHBondContact O-CD2 3.32Å; W81-Y85 WeakPolarHBondContact O-CE2 3.25Å
82	S	38.6	Very low	49.4	Very low	73 Å²	73	107.7 Å²	107.7	51%	0.51	52%	0.519	S	S	.	.	H	α-helix	trans	-104.8	-31.9	178.6	71.5	0	0	0	0	113.1	R78 Q79 A80 V84	R78-S82 WeakPolarHBondContact O-CB 3.22Å; R78-S82 PolarHBondContact O-N 3.44Å; R78-S82 PolarHBondContact O-OG 3.25Å; Q79-S82 WeakPolarHBondContact CA-OG 3.45Å; Q79-S82 CarbonylContact O-C 3.58Å; Q79-S82 WeakPolarHBondContact O-CA 3.48Å; Q79-S82 PolarHBondContact O-N 2.87Å; Q79-S82 PolarHBondContact O-OG 3.34Å; A80-S82 VanDerWaalsContact C-N 3.31Å; S82-V84 VanDerWaalsContact C-N 3.28Å; S82-V84 PolarHBondContact O-N 2.96Å
83	T	40.1	Very low	51.5	Low	120 Å²	120	108.7 Å²	108.7	74%	0.736	53%	0.528	S	S	*	.	H	α-helix	trans	-76.5	-11.5	179.6	33.2	0	0	0	0	113.7	Q79	Q79-T83 PolarHBondContact O-N 2.73Å; Q79-T83 PolarHBondContact O-OG1 3.38Å
84	V	43.7	Very low	53.8	Low	81 Å²	81	110 Å²	110	49%	0.491	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.6	179.1	177.8	0	0	0	0	113.2	A80 S82	A80-V84 VanDerWaalsContact O-CG2 3.28Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å; S82-V84 VanDerWaalsContact C-N 3.28Å; S82-V84 PolarHBondContact O-N 2.96Å
85	Y	47.7	Very low	55.8	Low	96 Å²	96	105.9 Å²	105.9	38%	0.376	51%	0.507	S	S	.	.			trans	-108.1	79.4	-172.6	-75.2	-92.2	0	0	0	113.2	W81 R89 R91	W81-Y85 WeakPolarHBondContact O-CD2 3.32Å; W81-Y85 WeakPolarHBondContact O-CE2 3.25Å; Y85-R89 HydrophobicContact CE1-CB 3.98Å; Y85-R91 PolarHBondContact OH-NH2 3.29Å
86	R	35	Very low	58.1	Low	229 Å²	229	96.5 Å²	96.5	86%	0.864	47%	0.472	S	S	*	.	S	Bend	trans	-116.1	119.2	148	-108.8	177.3	166.9	177.1	-5	106.5
87	D	39.2	Very low	60.4	Low	135 Å²	135	93.5 Å²	93.5	72%	0.722	46%	0.459	S	S	*	.	S	Bend	trans	85.2	94.1	174.8	-51.9	-24.9	0	0	0	117.2	R89	D87-R89 PolarHBondContact O-N 3.21Å
88	S	53.9	Low	62.6	Low	126 Å²	126	91.2 Å²	91.2	88%	0.881	45%	0.451	S	S	*	.			trans	33.7	75.7	154	61.7	0	0	0	0	118.2
89	R	66.1	Low	64.5	Low	92 Å²	92	85.3 Å²	85.3	35%	0.347	44%	0.439	S	S	.	.			trans	-105	122	168.6	-65.6	-171.8	-179.1	-155.7	-0.1	111.9	Y85 D87 E219	Y85-R89 HydrophobicContact CE1-CB 3.98Å; D87-R89 PolarHBondContact O-N 3.21Å; R89-E219 PolarHBondContact NH1-O 3.48Å; R89-E219 PolarHBondContact NH2-O 2.96Å
90	C	71.6	Confident	66.6	Low	22 Å²	22	82.8 Å²	82.8	15%	0.149	42%	0.424	C	S	.	.			trans	-54.7	132.2	177.9	-84.5	0	0	0	0	113.7	C95 F225	C90-C95 WeakPolarHBondContact CA-SG 3.11Å; C90-C95 HydrophobicContact CB-CB 3.44Å; C90-C95 VanDerWaalsContact CB-CB 3.44Å; C90-C95 WeakPolarHBondContact CB-SG 3.44Å; C90-C95 WeakPolarHBondContact SG-CB 3.48Å; C90-C95 CovalentContact SG-SG 2.04Å; C90-C95 PolarHBondContact SG-SG 3.11Å; C90-F225 HydrophobicContact CB-CD1 4.07Å; C90-F225 HydrophobicContact CB-CE1 3.87Å; C90-F225 HydrophobicContact CB-CZ 4.15Å
91	R	83.4	Confident	68.7	Low	117 Å²	117	80.3 Å²	80.3	44%	0.442	40%	0.404	S	S	.	.			trans	-116.4	164.8	169.3	-61.7	-176.5	179.7	-146.6	-0.4	109.7	Y85 D93 T94 C95	Y85-R91 PolarHBondContact OH-NH2 3.29Å; R91-D93 PolarHBondContact O-N 3.47Å; R91-T94 HydrophobicContact CB-CG2 4.49Å; R91-T94 PolarHBondContact N-OG1 3.47Å; R91-T94 PolarHBondContact O-N 3.33Å; R91-T94 VanDerWaalsContact O-N 3.13Å; R91-T94 PolarHBondContact O-OG1 2.81Å; R91-C95 PolarHBondContact O-N 2.92Å
92	M	87	Confident	70.4	Confident	19 Å²	19	78.8 Å²	78.8	9%	0.094	40%	0.398	C	S	.	.	H	α-helix	trans	-55.1	-40.2	172.2	-70.6	-64.5	-65.2	0	0	111	T94 F96 F98 I210 G224 F225 R429 V430	M92-T94 VanDerWaalsContact C-N 3.33Å; M92-T94 PolarHBondContact O-N 3.4Å; M92-F96 HydrophobicContact CE-CB 4.16Å; M92-F96 HydrophobicContact CE-CD1 3.89Å; M92-F96 HydrophobicContact CE-CD2 4.2Å; M92-F96 HydrophobicContact CE-CE1 4.33Å; M92-F96 HydrophobicContact CE-CG 3.82Å; M92-F96 WeakPolarHBondContact O-CB 3.21Å; M92-F96 PolarHBondContact O-N 2.99Å; M92-F96 HydrophobicContact SD-CB 4.31Å; M92-F96 HydrophobicContact SD-CG 4.45Å; M92-F98 HydrophobicContact CB-CZ 3.9Å; M92-F98 HydrophobicContact CE-CE1 4.32Å; M92-F98 HydrophobicContact CE-CZ 4.4Å; M92-F98 VanDerWaalsContact O-CE2 3.23Å; M92-F98 WeakPolarHBondContact O-CE2 3.5Å; M92-I210 HydrophobicContact SD-CD1 4.48Å; M92-G224 WeakPolarHBondContact CG-O 3.47Å; M92-F225 HydrophobicContact CG-CD2 4.18Å; M92-F225 HydrophobicContact SD-CD2 3.76Å; M92-F225 HydrophobicContact SD-CE2 4.17Å; M92-R429 HydrophobicContact CE-CB 3.97Å; M92-R429 HydrophobicContact CG-CB 4.44Å; M92-R429 HydrophobicContact SD-CB 4.47Å; M92-V430 HydrophobicContact CE-CG2 3.96Å
93	D	85.3	Confident	72	Confident	130 Å²	130	82.8 Å²	82.8	70%	0.695	40%	0.402	S	S	*	.	H	α-helix	trans	-69.3	-25.5	-180	-53.9	-58.3	0	0	0	114.7	R91	R91-D93 PolarHBondContact O-N 3.47Å
94	T	86.1	Confident	73.5	Confident	77 Å²	77	84 Å²	84	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-101.3	-47.9	-174	63.6	0	0	0	0	112	R91 M92 R183	R91-T94 HydrophobicContact CB-CG2 4.49Å; R91-T94 PolarHBondContact N-OG1 3.47Å; R91-T94 PolarHBondContact O-N 3.33Å; R91-T94 VanDerWaalsContact O-N 3.13Å; R91-T94 PolarHBondContact O-OG1 2.81Å; M92-T94 VanDerWaalsContact C-N 3.33Å; M92-T94 PolarHBondContact O-N 3.4Å; T94-R183 PolarHBondContact O-NH2 2.59Å
95	C	87.8	Confident	74.9	Confident	8 Å²	8	82 Å²	82	5%	0.054	39%	0.389	C	S	.	.	H	α-helix	trans	-103.5	2.9	-170.3	-67	0	0	0	0	113.7	C90 R91 R183 Q208 F225	C90-C95 WeakPolarHBondContact CA-SG 3.11Å; C90-C95 HydrophobicContact CB-CB 3.44Å; C90-C95 VanDerWaalsContact CB-CB 3.44Å; C90-C95 WeakPolarHBondContact CB-SG 3.44Å; C90-C95 WeakPolarHBondContact SG-CB 3.48Å; C90-C95 CovalentContact SG-SG 2.04Å; C90-C95 PolarHBondContact SG-SG 3.11Å; R91-C95 PolarHBondContact O-N 2.92Å; C95-R183 WeakPolarHBondContact O-CG 3.38Å; C95-Q208 HydrophobicContact CB-CB 3.94Å; C95-Q208 HydrophobicContact CB-CG 4.18Å; C95-F225 HydrophobicContact CB-CE2 3.93Å; C95-F225 HydrophobicContact CB-CZ 3.75Å
96	F	91.4	Very high	75.6	Confident	3 Å²	3	84.8 Å²	84.8	1%	0.013	40%	0.399	C	S	.	.			trans	-122.1	135.5	174.6	-168.2	-90.6	0	0	0	111.1	M92 F98 L148 N184 I210 F225 V430	M92-F96 HydrophobicContact CE-CB 4.16Å; M92-F96 HydrophobicContact CE-CD1 3.89Å; M92-F96 HydrophobicContact CE-CD2 4.2Å; M92-F96 HydrophobicContact CE-CE1 4.33Å; M92-F96 HydrophobicContact CE-CG 3.82Å; M92-F96 WeakPolarHBondContact O-CB 3.21Å; M92-F96 PolarHBondContact O-N 2.99Å; M92-F96 HydrophobicContact SD-CB 4.31Å; M92-F96 HydrophobicContact SD-CG 4.45Å; F96-F98 HydrophobicContact CD1-CD1 4.22Å; F96-F98 HydrophobicContact CD1-CD2 4.41Å; F96-F98 HydrophobicContact CD1-CE1 4.38Å; F96-F98 HydrophobicContact CD1-CG 4.26Å; F96-F98 HydrophobicContact CE1-CD1 4.45Å; F96-L148 HydrophobicContact CE2-CD1 4.11Å; F96-N184 HydrophobicContact CE2-CB 4.28Å; F96-I210 HydrophobicContact CD2-CD1 4Å; F96-I210 HydrophobicContact CE2-CD1 4.13Å; F96-F225 HydrophobicContact CB-CE2 4.34Å; F96-V430 HydrophobicContact CD1-CG2 4.38Å; F96-V430 HydrophobicContact CE1-CG2 3.55Å; F96-V430 HydrophobicContact CZ-CG2 3.72Å
97	D	90.8	Very high	77.2	Confident	36 Å²	36	80.1 Å²	80.1	19%	0.193	39%	0.387	C	S	.	.			trans	-93.6	99.7	175.7	-175.6	3.3	0	0	0	110.8	S99 R183 N184	D97-S99 VanDerWaalsContact CG-OG 3.24Å; D97-S99 PolarHBondContact O-N 3.44Å; D97-S99 WeakPolarHBondContact OD1-CB 3.48Å; D97-S99 PolarHBondContact OD1-N 3.23Å; D97-S99 PolarHBondContact OD1-OG 3.12Å; D97-S99 PolarHBondContact OD2-OG 3Å; D97-R183 HydrophobicContact CB-CG 4.45Å; D97-N184 WeakPolarHBondContact CA-OD1 3.49Å; D97-N184 VanDerWaalsContact CB-OD1 3.24Å; D97-N184 WeakPolarHBondContact CB-OD1 3.45Å; D97-N184 PolarHBondContact N-OD1 3.43Å; D97-N184 PolarHBondContact O-ND2 3.15Å
98	F	89.8	Confident	79.1	Confident	34 Å²	34	73.9 Å²	73.9	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-20.8	176.4	-63.2	-90.8	0	0	0	113.6	M92 F96 R100 C101 R102 V430	M92-F98 HydrophobicContact CB-CZ 3.9Å; M92-F98 HydrophobicContact CE-CE1 4.32Å; M92-F98 HydrophobicContact CE-CZ 4.4Å; M92-F98 VanDerWaalsContact O-CE2 3.23Å; M92-F98 WeakPolarHBondContact O-CE2 3.5Å; F96-F98 HydrophobicContact CD1-CD1 4.22Å; F96-F98 HydrophobicContact CD1-CD2 4.41Å; F96-F98 HydrophobicContact CD1-CE1 4.38Å; F96-F98 HydrophobicContact CD1-CG 4.26Å; F96-F98 HydrophobicContact CE1-CD1 4.45Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.43Å; F98-C101 PolarHBondContact O-N 3.38Å; F98-R102 WeakPolarHBondContact O-CG 3.37Å; F98-R102 PolarHBondContact O-N 2.94Å; F98-V430 HydrophobicContact CD1-CG1 4.23Å
99	S	87.9	Confident	80.8	Confident	62 Å²	62	68 Å²	68	43%	0.434	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-38.9	-174.2	74.6	0	0	0	0	111.1	D97 C101 R102 R103	D97-S99 VanDerWaalsContact CG-OG 3.24Å; D97-S99 PolarHBondContact O-N 3.44Å; D97-S99 WeakPolarHBondContact OD1-CB 3.48Å; D97-S99 PolarHBondContact OD1-N 3.23Å; D97-S99 PolarHBondContact OD1-OG 3.12Å; D97-S99 PolarHBondContact OD2-OG 3Å; S99-C101 VanDerWaalsContact C-N 3.3Å; S99-C101 PolarHBondContact O-N 3.02Å; S99-R102 PolarHBondContact O-N 3.45Å; S99-R103 WeakPolarHBondContact O-CG 3.33Å; S99-R103 PolarHBondContact O-N 2.99Å
100	R	86	Confident	82.1	Confident	59 Å²	59	67.3 Å²	67.3	22%	0.223	31%	0.31	C	S	.	.	H	α-helix	trans	-58.6	-40.7	176.9	-71	-174	171.5	-127.1	4.3	112.6	F98 F149	F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.43Å; R100-F149 VanDerWaalsContact NH1-CE2 3.33Å; R100-F149 VanDerWaalsContact NH1-CZ 3.31Å
101	C	86.4	Confident	83.2	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-82.4	-28.7	-175.7	-47.8	0	0	0	0	112.9	F98 S99 G108 C147 V430 F431	F98-C101 PolarHBondContact O-N 3.38Å; S99-C101 VanDerWaalsContact C-N 3.3Å; S99-C101 PolarHBondContact O-N 3.02Å; C101-G108 CarbonylContact O-C 3.57Å; C101-G108 WeakPolarHBondContact O-CA 3.47Å; C101-C147 HydrophobicContact CB-CB 3.75Å; C101-C147 WeakPolarHBondContact CB-SG 3.4Å; C101-C147 WeakPolarHBondContact SG-CB 3.37Å; C101-C147 CovalentContact SG-SG 2.02Å; C101-C147 PolarHBondContact SG-SG 3.47Å; C101-V430 HydrophobicContact CB-CG1 3.62Å; C101-F431 HydrophobicContact CB-CZ 4.4Å
102	R	81.3	Confident	83.8	Confident	136 Å²	136	62.6 Å²	62.6	51%	0.513	29%	0.289	S	S	.	.	H	α-helix	trans	-85.4	-16.5	-176	-69.4	-179.2	-176	176.1	4.9	114.4	F98 S99 R104 G105	F98-R102 WeakPolarHBondContact O-CG 3.37Å; F98-R102 PolarHBondContact O-N 2.94Å; S99-R102 PolarHBondContact O-N 3.45Å; R102-R104 PolarHBondContact O-N 3.48Å; R102-R104 VanDerWaalsContact O-N 3.08Å; R102-G105 PolarHBondContact O-N 3.07Å
103	R	72.3	Confident	84.2	Confident	156 Å²	156	62.9 Å²	62.9	59%	0.589	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.1	-177.5	-83.4	-176.3	-133.1	137.5	-5.6	114.9	S99	S99-R103 WeakPolarHBondContact O-CG 3.33Å; S99-R103 PolarHBondContact O-N 2.99Å
104	R	70.3	Confident	84.5	Confident	145 Å²	145	57.2 Å²	57.2	55%	0.547	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	22.1	-179.5	-65.9	-173.6	175.3	-172.1	3.6	113.1	R102 R106 E107 E145	R102-R104 PolarHBondContact O-N 3.48Å; R102-R104 VanDerWaalsContact O-N 3.08Å; R104-R106 PolarHBondContact O-N 2.93Å; R104-E107 PolarHBondContact O-N 2.93Å; R104-E145 IonicContact CZ-OE1 2.74Å; R104-E145 IonicContact NH1-OE1 2.84Å; R104-E145 PolarHBondContact NH1-OE1 3.2Å; R104-E145 IonicContact NH1-OE2 3.78Å; R104-E145 IonicContact NH2-OE1 3.72Å; R104-E145 PolarHBondContact NH2-OE1 2.86Å
105	G	72.8	Confident	84.5	Confident	40 Å²	40	57.8 Å²	57.8	41%	0.412	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	58.1	-130.5	-178.2	0	0	0	0	0	112.1	R102 E107 G108	R102-G105 PolarHBondContact O-N 3.07Å; G105-E107 VanDerWaalsContact C-N 3.3Å; G105-E107 PolarHBondContact O-N 2.99Å; G105-G108 PolarHBondContact O-N 3.44Å
106	R	63.8	Low	84.2	Confident	154 Å²	154	60.2 Å²	60.2	58%	0.581	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-69.4	-21.4	-173.3	-62.9	-177.4	-178.5	-172.7	0.8	114.3	R104 E453	R104-R106 PolarHBondContact O-N 2.93Å; R106-E453 PolarHBondContact NH1-O 2.8Å
107	E	68.9	Low	83.5	Confident	132 Å²	132	64.6 Å²	64.6	62%	0.617	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-94	3.4	177.4	-62.8	-170.5	172.3	0	0	113.4	R104 G105 F109	R104-E107 PolarHBondContact O-N 2.93Å; G105-E107 VanDerWaalsContact C-N 3.3Å; G105-E107 PolarHBondContact O-N 2.99Å; E107-F109 VanDerWaalsContact C-N 3.29Å; E107-F109 PolarHBondContact O-N 3.08Å
108	G	77.9	Confident	82.5	Confident	3 Å²	3	73.6 Å²	73.6	3%	0.031	34%	0.344	C	S	.	.			trans	-77	-7.5	-175.2	0	0	0	0	0	115.3	C101 G105 R110 C147	C101-G108 CarbonylContact O-C 3.57Å; C101-G108 WeakPolarHBondContact O-CA 3.47Å; G105-G108 PolarHBondContact O-N 3.44Å; G108-R110 PolarHBondContact O-N 3.05Å; G108-C147 WeakPolarHBondContact O-CB 3.41Å
109	F	90.7	Very high	81.5	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.018	38%	0.375	C	S	.	.			trans	-78.4	89.5	174	-161.9	-101.8	0	0	0	110.6	E107 V111 Y138 C147 L423 I426 K427 V430 F431	E107-F109 VanDerWaalsContact C-N 3.29Å; E107-F109 PolarHBondContact O-N 3.08Å; F109-V111 HydrophobicContact CE1-CG2 4.38Å; F109-Y138 AromaticContact CD1-CD1 3.65Å; F109-Y138 HydrophobicContact CD1-CD1 3.65Å; F109-Y138 AromaticContact CD1-CE1 3.78Å; F109-Y138 HydrophobicContact CD1-CE1 3.78Å; F109-Y138 HydrophobicContact CD1-CG 4.08Å; F109-Y138 HydrophobicContact CE1-CD1 4.4Å; F109-Y138 HydrophobicContact CE1-CG 4.41Å; F109-Y138 VanDerWaalsContact O-CD1 3.27Å; F109-Y138 WeakPolarHBondContact O-CD1 3.34Å; F109-C147 HydrophobicContact CD2-CB 4.48Å; F109-C147 VanDerWaalsContact CD2-SG 3.57Å; F109-L423 HydrophobicContact CE1-CB 4.31Å; F109-I426 HydrophobicContact CE2-CG2 4.08Å; F109-I426 HydrophobicContact CZ-CB 4.33Å; F109-I426 HydrophobicContact CZ-CG2 4.08Å; F109-K427 HydrophobicContact CB-CD 4.37Å; F109-K427 HydrophobicContact CB-CG 4.25Å; F109-K427 HydrophobicContact CD1-CB 4.05Å; F109-K427 HydrophobicContact CD1-CD 4.08Å; F109-K427 HydrophobicContact CD1-CG 4.12Å; F109-K427 HydrophobicContact CD2-CB 4.08Å; F109-K427 HydrophobicContact CD2-CG 4.13Å; F109-K427 HydrophobicContact CE1-CB 3.97Å; F109-K427 HydrophobicContact CE2-CB 4.01Å; F109-K427 HydrophobicContact CG-CB 4.1Å; F109-K427 HydrophobicContact CG-CD 4.2Å; F109-K427 HydrophobicContact CG-CG 3.89Å; F109-K427 HydrophobicContact CZ-CB 3.95Å; F109-V430 HydrophobicContact CE2-CG2 4.43Å; F109-F431 HydrophobicContact CB-CE2 3.92Å; F109-F431 HydrophobicContact CD2-CE2 4.18Å; F109-F431 HydrophobicContact CG-CE2 4.45Å
110	R	92.9	Very high	80.9	Confident	77 Å²	77	74.8 Å²	74.8	29%	0.291	37%	0.365	S	S	.	.			trans	-119.9	148.7	174.5	-60	-69.2	-176.9	156.8	2.1	111.4	G108 R137 Y138 T140 E145 C147 L148	G108-R110 PolarHBondContact O-N 3.05Å; R110-R137 PolarHBondContact NH1-O 2.74Å; R110-R137 VanDerWaalsContact NH1-O 3.15Å; R110-Y138 CarbonylContact C-O 3.55Å; R110-Y138 WeakPolarHBondContact CA-O 3.4Å; R110-T140 HydrophobicContact CB-CG2 3.69Å; R110-E145 WeakPolarHBondContact CB-O 3.47Å; R110-C147 WeakPolarHBondContact O-CA 3.47Å; R110-C147 WeakPolarHBondContact O-CB 3.37Å; R110-C147 PolarHBondContact O-N 2.7Å; R110-L148 PolarHBondContact O-N 3.17Å
111	V	95.1	Very high	80.6	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.7	-177.9	-174.5	0	0	0	0	108.9	F109 I133 Y138 Y139 T140 L148 V150 L423	F109-V111 HydrophobicContact CE1-CG2 4.38Å; V111-I133 HydrophobicContact CB-CG2 4.11Å; V111-I133 HydrophobicContact CG1-CG2 3.72Å; V111-Y138 PolarHBondContact N-O 3.38Å; V111-Y139 WeakPolarHBondContact O-CA 3.47Å; V111-T140 PolarHBondContact O-N 2.79Å; V111-L148 WeakPolarHBondContact CA-O 3.36Å; V111-L148 HydrophobicContact CG2-CB 4.22Å; V111-L148 HydrophobicContact CG2-CD2 4.26Å; V111-V150 HydrophobicContact CG1-CG2 3.74Å; V111-L423 HydrophobicContact CG2-CD1 4.37Å; V111-L423 HydrophobicContact CG2-CD2 3.99Å
112	Y	95.3	Very high	80.6	Confident	39 Å²	39	85.5 Å²	85.5	15%	0.153	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.2	173.3	175	-94.4	0	0	0	110.2	Y114 T140 P141 P143 A146 L148 F149 V150	Y112-Y114 AromaticContact CE1-CD1 3.86Å; Y112-Y114 HydrophobicContact CE1-CD1 3.86Å; Y112-Y114 HydrophobicContact CE1-CE1 4.22Å; Y112-Y114 HydrophobicContact CE1-CG 4.17Å; Y112-T140 WeakPolarHBondContact CD2-O 3.5Å; Y112-P141 VanDerWaalsContact CE2-O 3.3Å; Y112-P141 WeakPolarHBondContact CE2-O 3.34Å; Y112-P143 HydrophobicContact CD1-CB 4.31Å; Y112-P143 HydrophobicContact CD2-CB 4.23Å; Y112-P143 HydrophobicContact CE1-CB 4.3Å; Y112-P143 HydrophobicContact CE2-CB 4.26Å; Y112-P143 HydrophobicContact CE2-CG 4.45Å; Y112-P143 HydrophobicContact CG-CB 4.26Å; Y112-A146 VanDerWaalsContact CB-CB 3.44Å; Y112-L148 PolarHBondContact N-O 2.76Å; Y112-F149 AromaticContact CD1-CD1 3.74Å; Y112-F149 HydrophobicContact CD1-CD1 3.74Å; Y112-F149 HydrophobicContact CD1-CE1 4.01Å; Y112-F149 HydrophobicContact CG-CD1 4.37Å; Y112-F149 HydrophobicContact CG-CE1 4.39Å; Y112-F149 WeakPolarHBondContact O-CA 3.31Å; Y112-V150 PolarHBondContact O-N 3.37Å
113	I	94.8	Very high	81	Confident	26 Å²	26	79.6 Å²	79.6	13%	0.133	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.7	176.9	-54.9	173.1	0	0	0	107.4	L130 I133 A134 Y139 V150	I113-L130 HydrophobicContact CG2-CD2 3.89Å; I113-I133 HydrophobicContact CD1-CB 3.91Å; I113-I133 HydrophobicContact CD1-CG2 3.79Å; I113-I133 HydrophobicContact CG1-CG2 4Å; I113-A134 HydrophobicContact CD1-CB 4.14Å; I113-Y139 HydrophobicContact CD1-CD2 4.11Å; I113-Y139 HydrophobicContact CD1-CE2 4.11Å; I113-Y139 HydrophobicContact CG1-CD2 4.33Å; I113-Y139 HydrophobicContact CG1-CE2 4.26Å; I113-V150 WeakPolarHBondContact CA-O 3.38Å
114	Y	91.4	Very high	81.8	Confident	10 Å²	10	76.8 Å²	76.8	4%	0.039	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-63.6	140.1	173.2	-72.2	-79.6	0	0	0	110.5	Y112 F149 V150 L151 G152 F176 S178 H185	Y112-Y114 AromaticContact CE1-CD1 3.86Å; Y112-Y114 HydrophobicContact CE1-CD1 3.86Å; Y112-Y114 HydrophobicContact CE1-CE1 4.22Å; Y112-Y114 HydrophobicContact CE1-CG 4.17Å; Y114-F149 HydrophobicContact CE2-CB 3.88Å; Y114-F149 HydrophobicContact CE2-CD1 4.15Å; Y114-F149 HydrophobicContact CE2-CG 4.42Å; Y114-F149 AromaticContact CZ-CD1 3.98Å; Y114-V150 WeakPolarHBondContact CD2-O 3.47Å; Y114-V150 PolarHBondContact N-O 3.02Å; Y114-L151 HydrophobicContact CD2-CD2 4.03Å; Y114-L151 HydrophobicContact CE2-CD2 4.19Å; Y114-G152 VanDerWaalsContact O-CA 3.24Å; Y114-G152 WeakPolarHBondContact O-CA 3.49Å; Y114-F176 HydrophobicContact CD1-CB 4.28Å; Y114-F176 AromaticContact CD1-CD1 3.57Å; Y114-F176 HydrophobicContact CD1-CD1 3.57Å; Y114-F176 HydrophobicContact CD1-CE1 4.13Å; Y114-F176 HydrophobicContact CD1-CG 4.02Å; Y114-F176 HydrophobicContact CE1-CB 3.83Å; Y114-F176 HydrophobicContact CE1-CD1 4.02Å; Y114-F176 HydrophobicContact CE1-CG 4.08Å; Y114-F176 AromaticContact CG-CD1 3.9Å; Y114-F176 HydrophobicContact CG-CD1 3.9Å; Y114-F176 HydrophobicContact CG-CE1 4.08Å; Y114-F176 HydrophobicContact CG-CG 4.26Å; Y114-S178 WeakPolarHBondContact OH-CB 3.25Å; Y114-H185 AromaticContact CE2-CD2 3.81Å; Y114-H185 AromaticContact CE2-NE2 3.56Å; Y114-H185 AromaticContact CZ-NE2 3.72Å; Y114-H185 PolarHBondContact OH-NE2 3.24Å
115	P	87.3	Confident	82.8	Confident	89 Å²	89	70.3 Å²	70.3	58%	0.578	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-63.5	141.7	176.4	28.1	-33.9	0	0	0	110.1
116	A	81	Confident	83.8	Confident	60 Å²	60	68.4 Å²	68.4	50%	0.496	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-72.4	143.2	171.8	0	0	0	0	0	110.4
117	E	77.8	Confident	85.2	Confident	95 Å²	95	67.8 Å²	67.8	44%	0.444	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-75.5	154.3	177	-65.7	-173.8	172.6	0	0	111.3	G119 D120	E117-G119 PolarHBondContact O-N 2.9Å; E117-D120 PolarHBondContact O-N 3.27Å
118	K	68.6	Low	86.4	Confident	225 Å²	225	62.6 Å²	62.6	98%	0.978	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	110	178.7	-74	-176.5	-179.9	178.3	0	109.8
119	G	69.3	Low	87.2	Confident	77 Å²	77	62.5 Å²	62.5	79%	0.794	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.8	-7.8	177.4	0	0	0	0	0	114.6	E117 R121	E117-G119 PolarHBondContact O-N 2.9Å; G119-R121 PolarHBondContact O-N 2.94Å
120	D	74.4	Confident	87.4	Confident	43 Å²	43	63.6 Å²	63.6	23%	0.23	32%	0.319	C	S	.	.			trans	-68.7	126.6	177.5	-79	-20.3	0	0	0	111.8	E117 V122 R172	E117-D120 PolarHBondContact O-N 3.27Å; D120-V122 PolarHBondContact O-N 2.97Å; D120-R172 IonicContact OD1-CZ 3.42Å; D120-R172 IonicContact OD1-NH1 3.52Å; D120-R172 PolarHBondContact OD1-NH1 3Å; D120-R172 IonicContact OD2-NH1 2.8Å
121	R	80.4	Confident	87.5	Confident	237 Å²	237	62 Å²	62	89%	0.894	32%	0.318	S	S	*	.			trans	-90.5	98.8	173.5	-68.4	-174.9	177.5	-173.8	-0.2	109.2	G119	G119-R121 PolarHBondContact O-N 2.94Å
122	V	86.1	Confident	87.4	Confident	48 Å²	48	62.1 Å²	62.1	29%	0.291	32%	0.319	S	S	.	.			trans	-83.2	130.9	175.6	179.8	0	0	0	0	110.1	D120 Y126 R127	D120-V122 PolarHBondContact O-N 2.97Å; V122-Y126 HydrophobicContact CG1-CD1 3.68Å; V122-Y126 HydrophobicContact CG1-CG 4.24Å; V122-R127 HydrophobicContact CG1-CB 4.25Å
123	S	89.1	Confident	87.4	Confident	11 Å²	11	60.2 Å²	60.2	8%	0.077	31%	0.311	C	S	.	.			trans	-62.3	153	175.4	71.7	0	0	0	0	111.1	S125 Y126 R127 D154	S123-S125 PolarHBondContact O-N 3.03Å; S123-Y126 PolarHBondContact O-N 3.46Å; S123-Y126 WeakPolarHBondContact OG-CB 3.44Å; S123-Y126 PolarHBondContact OG-N 3.13Å; S123-Y126 VanDerWaalsContact OG-N 3.11Å; S123-R127 WeakPolarHBondContact O-CB 3.47Å; S123-R127 PolarHBondContact O-N 2.96Å; S123-D154 WeakPolarHBondContact CA-OD2 3.2Å; S123-D154 WeakPolarHBondContact CB-OD2 3.4Å; S123-D154 PolarHBondContact N-OD2 2.79Å; S123-D154 PolarHBondContact OG-OD2 3.36Å
124	E	89.9	Confident	87.3	Confident	97 Å²	97	61 Å²	61	45%	0.453	32%	0.321	S	S	.	.	H	α-helix	trans	-57.1	-39.2	176.2	-169.7	-174.6	166.5	0	0	111.4	R127 K128	E124-R127 PolarHBondContact O-N 2.96Å; E124-K128 VanDerWaalsContact O-CG 3.28Å; E124-K128 WeakPolarHBondContact O-CG 3.39Å; E124-K128 PolarHBondContact O-N 3.26Å; E124-K128 IonicContact OE1-NZ 3.74Å
125	S	91.7	Very high	87.3	Confident	10 Å²	10	65.4 Å²	65.4	7%	0.07	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-39.3	-179.9	-60.4	0	0	0	0	112.3	S123 K128 I129 K234	S123-S125 PolarHBondContact O-N 3.03Å; S125-K128 WeakPolarHBondContact O-CB 3.34Å; S125-K128 PolarHBondContact O-N 3.32Å; S125-I129 PolarHBondContact O-N 3.21Å; S125-K234 WeakPolarHBondContact OG-CA 3.32Å
126	Y	93.1	Very high	87.4	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.5	-38.5	176.7	-164.2	-116.3	0	0	0	111.9	V122 S123 K128 I129 L130 L151 I153 D154 L156 F188	V122-Y126 HydrophobicContact CG1-CD1 3.68Å; V122-Y126 HydrophobicContact CG1-CG 4.24Å; S123-Y126 PolarHBondContact O-N 3.46Å; S123-Y126 WeakPolarHBondContact OG-CB 3.44Å; S123-Y126 PolarHBondContact OG-N 3.13Å; S123-Y126 VanDerWaalsContact OG-N 3.11Å; Y126-K128 VanDerWaalsContact C-N 3.25Å; Y126-K128 PolarHBondContact O-N 2.83Å; Y126-I129 HydrophobicContact CD2-CD1 4.24Å; Y126-I129 WeakPolarHBondContact O-CB 3.36Å; Y126-I129 PolarHBondContact O-N 2.9Å; Y126-L130 HydrophobicContact CD1-CD1 3.8Å; Y126-L130 HydrophobicContact CD1-CG 4Å; Y126-L130 HydrophobicContact CE1-CD1 3.71Å; Y126-L130 HydrophobicContact CE1-CD2 3.89Å; Y126-L130 HydrophobicContact CE1-CG 3.87Å; Y126-L130 WeakPolarHBondContact O-CG 3.23Å; Y126-L130 PolarHBondContact O-N 2.89Å; Y126-L151 PolarHBondContact OH-O 3.06Å; Y126-I153 WeakPolarHBondContact CE1-O 3.33Å; Y126-I153 VanDerWaalsContact CZ-O 3.27Å; Y126-I153 PolarHBondContact OH-O 2.71Å; Y126-D154 WeakPolarHBondContact CB-OD2 3.04Å; Y126-D154 HydrophobicContact CD1-CB 4.1Å; Y126-D154 HydrophobicContact CG-CB 4.32Å; Y126-L156 HydrophobicContact CD2-CD1 3.95Å; Y126-L156 HydrophobicContact CD2-CD2 3.72Å; Y126-L156 HydrophobicContact CD2-CG 3.52Å; Y126-L156 HydrophobicContact CE2-CD2 4.24Å; Y126-L156 HydrophobicContact CE2-CG 4.39Å; Y126-L156 HydrophobicContact CG-CD1 4.34Å; Y126-L156 HydrophobicContact CG-CG 4.15Å; Y126-F188 HydrophobicContact CE2-CB 4.35Å
127	R	93.3	Very high	87.8	Confident	141 Å²	141	62.6 Å²	62.6	53%	0.532	31%	0.31	S	S	.	.	H	α-helix	trans	-56.6	-42	172.9	-170.7	178.1	68	89.9	-0.6	111.3	V122 S123 E124 I129 L130 T131	V122-R127 HydrophobicContact CG1-CB 4.25Å; S123-R127 WeakPolarHBondContact O-CB 3.47Å; S123-R127 PolarHBondContact O-N 2.96Å; E124-R127 PolarHBondContact O-N 2.96Å; R127-I129 VanDerWaalsContact C-N 3.33Å; R127-I129 PolarHBondContact O-N 3.13Å; R127-L130 PolarHBondContact O-N 3.41Å; R127-T131 WeakPolarHBondContact O-CB 3.23Å; R127-T131 PolarHBondContact O-N 3.09Å; R127-T131 PolarHBondContact O-OG1 2.88Å; R127-T131 VanDerWaalsContact O-OG1 3.04Å
128	K	94.3	Very high	88.4	Confident	22 Å²	22	58.5 Å²	58.5	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-43.3	174.1	-72.6	-175.1	176.8	177.1	0	112.3	E124 S125 Y126 S132 K234 H236 Q238 V415	E124-K128 VanDerWaalsContact O-CG 3.28Å; E124-K128 WeakPolarHBondContact O-CG 3.39Å; E124-K128 PolarHBondContact O-N 3.26Å; E124-K128 IonicContact OE1-NZ 3.74Å; S125-K128 WeakPolarHBondContact O-CB 3.34Å; S125-K128 PolarHBondContact O-N 3.32Å; Y126-K128 VanDerWaalsContact C-N 3.25Å; Y126-K128 PolarHBondContact O-N 2.83Å; K128-S132 PolarHBondContact O-N 3.24Å; K128-S132 PolarHBondContact O-OG 3.34Å; K128-K234 PolarHBondContact NZ-O 2.92Å; K128-H236 PolarHBondContact NZ-O 2.89Å; K128-Q238 PolarHBondContact O-NE2 3.14Å; K128-Q238 PolarHBondContact O-OE1 3.11Å; K128-V415 HydrophobicContact CB-CB 4.48Å; K128-V415 HydrophobicContact CB-CG1 4.14Å; K128-V415 HydrophobicContact CB-CG2 4.36Å; K128-V415 HydrophobicContact CD-CG2 4.24Å
129	I	95.3	Very high	89.6	Confident	1 Å²	1	52 Å²	52	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-50.6	175.5	-63.9	171.8	0	0	0	110.9	S125 Y126 R127 T131 S132 I133 L156 F188 F232 V415 V419	S125-I129 PolarHBondContact O-N 3.21Å; Y126-I129 HydrophobicContact CD2-CD1 4.24Å; Y126-I129 WeakPolarHBondContact O-CB 3.36Å; Y126-I129 PolarHBondContact O-N 2.9Å; R127-I129 VanDerWaalsContact C-N 3.33Å; R127-I129 PolarHBondContact O-N 3.13Å; I129-T131 VanDerWaalsContact C-N 3.34Å; I129-T131 PolarHBondContact O-N 3.32Å; I129-S132 VanDerWaalsContact O-CB 3.3Å; I129-S132 WeakPolarHBondContact O-CB 3.12Å; I129-S132 PolarHBondContact O-N 2.95Å; I129-S132 VanDerWaalsContact O-N 3.12Å; I129-I133 HydrophobicContact CG2-CD1 4.11Å; I129-I133 WeakPolarHBondContact O-CG1 3.37Å; I129-I133 PolarHBondContact O-N 3.33Å; I129-I133 VanDerWaalsContact O-N 3.08Å; I129-L156 HydrophobicContact CD1-CD1 4.07Å; I129-L156 HydrophobicContact CD1-CD2 3.79Å; I129-L156 HydrophobicContact CD1-CG 4.49Å; I129-F188 HydrophobicContact CD1-CB 4.1Å; I129-F188 HydrophobicContact CD1-CD1 4.25Å; I129-F188 HydrophobicContact CD1-CG 4.16Å; I129-F188 HydrophobicContact CG2-CD1 4.36Å; I129-F188 HydrophobicContact CG2-CD2 3.87Å; I129-F188 HydrophobicContact CG2-CE1 4.33Å; I129-F188 HydrophobicContact CG2-CE2 3.83Å; I129-F188 HydrophobicContact CG2-CG 4.14Å; I129-F188 HydrophobicContact CG2-CZ 4.06Å; I129-F232 HydrophobicContact CD1-CZ 4.03Å; I129-F232 HydrophobicContact CG1-CZ 4.15Å; I129-V415 HydrophobicContact CG1-CG1 4.03Å; I129-V419 HydrophobicContact CB-CG2 4.25Å; I129-V419 HydrophobicContact CG1-CG2 4.09Å; I129-V419 HydrophobicContact CG2-CG2 3.9Å
130	L	94.6	Very high	90.7	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-42.8	-179	-64.4	-177.6	0	0	0	111.9	I113 Y126 R127 I133 A134 V150	I113-L130 HydrophobicContact CG2-CD2 3.89Å; Y126-L130 HydrophobicContact CD1-CD1 3.8Å; Y126-L130 HydrophobicContact CD1-CG 4Å; Y126-L130 HydrophobicContact CE1-CD1 3.71Å; Y126-L130 HydrophobicContact CE1-CD2 3.89Å; Y126-L130 HydrophobicContact CE1-CG 3.87Å; Y126-L130 WeakPolarHBondContact O-CG 3.23Å; Y126-L130 PolarHBondContact O-N 2.89Å; R127-L130 PolarHBondContact O-N 3.41Å; L130-I133 PolarHBondContact O-N 3.37Å; L130-A134 WeakPolarHBondContact O-CB 3.16Å; L130-A134 PolarHBondContact O-N 3.21Å; L130-V150 HydrophobicContact CD2-CG1 4.14Å
131	T	93.8	Very high	91.6	Very high	42 Å²	42	50.9 Å²	50.9	26%	0.258	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-41.6	174.5	-60.4	0	0	0	0	111.6	R127 I129 I133 A134 E135	R127-T131 WeakPolarHBondContact O-CB 3.23Å; R127-T131 PolarHBondContact O-N 3.09Å; R127-T131 PolarHBondContact O-OG1 2.88Å; R127-T131 VanDerWaalsContact O-OG1 3.04Å; I129-T131 VanDerWaalsContact C-N 3.34Å; I129-T131 PolarHBondContact O-N 3.32Å; T131-I133 VanDerWaalsContact C-N 3.27Å; T131-I133 PolarHBondContact O-N 2.92Å; T131-A134 PolarHBondContact O-N 3.18Å; T131-E135 HydrophobicContact CG2-CG 4.22Å; T131-E135 WeakPolarHBondContact O-CB 3.46Å; T131-E135 WeakPolarHBondContact O-CG 3.19Å; T131-E135 PolarHBondContact O-N 3.43Å
132	S	94.4	Very high	92.1	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-42.2	176.1	-51.5	0	0	0	0	111.6	K128 I129 S136 Q238 D416	K128-S132 PolarHBondContact O-N 3.24Å; K128-S132 PolarHBondContact O-OG 3.34Å; I129-S132 VanDerWaalsContact O-CB 3.3Å; I129-S132 WeakPolarHBondContact O-CB 3.12Å; I129-S132 PolarHBondContact O-N 2.95Å; I129-S132 VanDerWaalsContact O-N 3.12Å; S132-S136 WeakPolarHBondContact O-CB 3.32Å; S132-S136 PolarHBondContact O-N 2.92Å; S132-Q238 PolarHBondContact OG-NE2 3.4Å; S132-D416 PolarHBondContact OG-OD1 3.4Å; S132-D416 VanDerWaalsContact OG-OD1 3.04Å
133	I	94.9	Very high	92.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.9	-47.6	179.2	-60.3	171	0	0	0	109.9	V111 I113 I129 L130 T131 E135 S136 Y139 V150 F188 V419	V111-I133 HydrophobicContact CB-CG2 4.11Å; V111-I133 HydrophobicContact CG1-CG2 3.72Å; I113-I133 HydrophobicContact CD1-CB 3.91Å; I113-I133 HydrophobicContact CD1-CG2 3.79Å; I113-I133 HydrophobicContact CG1-CG2 4Å; I129-I133 HydrophobicContact CG2-CD1 4.11Å; I129-I133 WeakPolarHBondContact O-CG1 3.37Å; I129-I133 PolarHBondContact O-N 3.33Å; I129-I133 VanDerWaalsContact O-N 3.08Å; L130-I133 PolarHBondContact O-N 3.37Å; T131-I133 VanDerWaalsContact C-N 3.27Å; T131-I133 PolarHBondContact O-N 2.92Å; I133-E135 VanDerWaalsContact C-N 3.32Å; I133-E135 PolarHBondContact O-N 2.91Å; I133-S136 VanDerWaalsContact O-CB 3.28Å; I133-S136 WeakPolarHBondContact O-CB 3.48Å; I133-S136 PolarHBondContact O-N 3.07Å; I133-S136 PolarHBondContact O-OG 3.22Å; I133-Y139 WeakPolarHBondContact O-CB 3.37Å; I133-V150 HydrophobicContact CD1-CB 4.44Å; I133-V150 HydrophobicContact CD1-CG1 4.05Å; I133-V150 HydrophobicContact CD1-CG2 4.08Å; I133-F188 HydrophobicContact CD1-CE2 4.04Å; I133-F188 HydrophobicContact CD1-CZ 4.45Å; I133-V419 HydrophobicContact CD1-CG1 4.22Å; I133-V419 HydrophobicContact CG1-CG1 3.52Å
134	A	93.2	Very high	92.3	Very high	42 Å²	42	51.7 Å²	51.7	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-36.2	-176.9	0	0	0	0	0	113.4	I113 L130 T131 S136 Y139	I113-A134 HydrophobicContact CD1-CB 4.14Å; L130-A134 WeakPolarHBondContact O-CB 3.16Å; L130-A134 PolarHBondContact O-N 3.21Å; T131-A134 PolarHBondContact O-N 3.18Å; A134-S136 VanDerWaalsContact C-N 3.33Å; A134-Y139 HydrophobicContact CB-CD2 4.45Å; A134-Y139 WeakPolarHBondContact O-CB 3.27Å
135	E	90.3	Very high	92.3	Very high	103 Å²	103	49.7 Å²	49.7	48%	0.481	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-9.6	176.8	-65.4	-175.6	175.4	0	0	113.4	T131 I133 K239	T131-E135 HydrophobicContact CG2-CG 4.22Å; T131-E135 WeakPolarHBondContact O-CB 3.46Å; T131-E135 WeakPolarHBondContact O-CG 3.19Å; T131-E135 PolarHBondContact O-N 3.43Å; I133-E135 VanDerWaalsContact C-N 3.32Å; I133-E135 PolarHBondContact O-N 2.91Å; E135-K239 WeakPolarHBondContact OE2-CE 3.26Å; E135-K239 IonicContact OE2-NZ 2.8Å; E135-K239 PolarHBondContact OE2-NZ 3.24Å
136	S	91	Very high	92.3	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	24%	0.236	C	C	.	.	S	Bend	trans	-73.1	160.7	179.2	80.5	0	0	0	0	112.4	S132 I133 A134 Y138 Y139	S132-S136 WeakPolarHBondContact O-CB 3.32Å; S132-S136 PolarHBondContact O-N 2.92Å; I133-S136 VanDerWaalsContact O-CB 3.28Å; I133-S136 WeakPolarHBondContact O-CB 3.48Å; I133-S136 PolarHBondContact O-N 3.07Å; I133-S136 PolarHBondContact O-OG 3.22Å; A134-S136 VanDerWaalsContact C-N 3.33Å; S136-Y138 PolarHBondContact O-N 2.88Å; S136-Y138 VanDerWaalsContact O-N 3.1Å; S136-Y138 PolarHBondContact OG-N 3.36Å; S136-Y139 PolarHBondContact O-N 3.1Å
137	R	87.4	Confident	92.3	Very high	71 Å²	71	49.2 Å²	49.2	27%	0.268	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.6	172.2	66.8	-178.5	177.3	-175.1	-2.9	114.3	R110 E424 H631	R110-R137 PolarHBondContact NH1-O 2.74Å; R110-R137 VanDerWaalsContact NH1-O 3.15Å; R137-E424 IonicContact CZ-OE1 3.63Å; R137-E424 IonicContact NE-OE1 3.91Å; R137-E424 IonicContact NH2-OE1 3.76Å; R137-E424 PolarHBondContact NH2-OE1 2.84Å; R137-H631 WeakPolarHBondContact CD-O 3.12Å; R137-H631 PolarHBondContact NH1-O 3.09Å
138	Y	91.1	Very high	92.4	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.035	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-18	-175.1	-61.1	-54.6	0	0	0	113.2	F109 R110 V111 S136 L423 E424 K427	F109-Y138 AromaticContact CD1-CD1 3.65Å; F109-Y138 HydrophobicContact CD1-CD1 3.65Å; F109-Y138 AromaticContact CD1-CE1 3.78Å; F109-Y138 HydrophobicContact CD1-CE1 3.78Å; F109-Y138 HydrophobicContact CD1-CG 4.08Å; F109-Y138 HydrophobicContact CE1-CD1 4.4Å; F109-Y138 HydrophobicContact CE1-CG 4.41Å; F109-Y138 VanDerWaalsContact O-CD1 3.27Å; F109-Y138 WeakPolarHBondContact O-CD1 3.34Å; R110-Y138 CarbonylContact C-O 3.55Å; R110-Y138 WeakPolarHBondContact CA-O 3.4Å; V111-Y138 PolarHBondContact N-O 3.38Å; S136-Y138 PolarHBondContact O-N 2.88Å; S136-Y138 VanDerWaalsContact O-N 3.1Å; S136-Y138 PolarHBondContact OG-N 3.36Å; Y138-L423 HydrophobicContact CD2-CB 4.37Å; Y138-L423 HydrophobicContact CD2-CD1 4.03Å; Y138-E424 PolarHBondContact OH-OE1 2.85Å; Y138-E424 PolarHBondContact OH-OE2 3.06Å; Y138-K427 HydrophobicContact CE1-CD 4.16Å; Y138-K427 WeakPolarHBondContact OH-CD 3.38Å; Y138-K427 PolarHBondContact OH-NZ 2.95Å
139	Y	93.7	Very high	92.4	Very high	88 Å²	88	41.5 Å²	41.5	35%	0.345	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-59.8	139.8	-178.9	179.4	-112.1	0	0	0	112.5	V111 I113 I133 A134 S136	V111-Y139 WeakPolarHBondContact O-CA 3.47Å; I113-Y139 HydrophobicContact CD1-CD2 4.11Å; I113-Y139 HydrophobicContact CD1-CE2 4.11Å; I113-Y139 HydrophobicContact CG1-CD2 4.33Å; I113-Y139 HydrophobicContact CG1-CE2 4.26Å; I133-Y139 WeakPolarHBondContact O-CB 3.37Å; A134-Y139 HydrophobicContact CB-CD2 4.45Å; A134-Y139 WeakPolarHBondContact O-CB 3.27Å; S136-Y139 PolarHBondContact O-N 3.1Å
140	T	92.6	Very high	92.4	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	21%	0.206	C	C	.	.			trans	-137.2	138.1	164.8	-176.7	0	0	0	0	110	R110 V111 Y112 D142 E145 A146	R110-T140 HydrophobicContact CB-CG2 3.69Å; V111-T140 PolarHBondContact O-N 2.79Å; Y112-T140 WeakPolarHBondContact CD2-O 3.5Å; T140-D142 VanDerWaalsContact C-N 3.3Å; T140-D142 WeakPolarHBondContact CG2-O 3.38Å; T140-D142 PolarHBondContact OG1-N 2.92Å; T140-E145 HydrophobicContact CG2-CB 4.21Å; T140-E145 PolarHBondContact OG1-OE2 3.02Å; T140-E145 VanDerWaalsContact OG1-OE2 3.13Å; T140-A146 HydrophobicContact CG2-CB 4.1Å
141	P	92.4	Very high	92.3	Very high	94 Å²	94	40.1 Å²	40.1	61%	0.61	20%	0.199	S	C	*	.	S	Bend	trans	-78.3	-13.4	171.6	33.2	-35.7	0	0	0	112.9	Y112	Y112-P141 VanDerWaalsContact CE2-O 3.3Å; Y112-P141 WeakPolarHBondContact CE2-O 3.34Å
142	D	91.7	Very high	92.1	Very high	59 Å²	59	38.2 Å²	38.2	32%	0.316	19%	0.187	S	C	.	.			trans	-97.5	116.9	-179.1	-175.9	-3	0	0	0	111	T140 R144 E145	T140-D142 VanDerWaalsContact C-N 3.3Å; T140-D142 WeakPolarHBondContact CG2-O 3.38Å; T140-D142 PolarHBondContact OG1-N 2.92Å; D142-R144 PolarHBondContact O-N 2.84Å; D142-R144 WeakPolarHBondContact OD1-CB 3.44Å; D142-R144 WeakPolarHBondContact OD1-CG 3.35Å; D142-R144 PolarHBondContact OD1-N 3.08Å; D142-E145 HydrophobicContact CB-CB 4.47Å; D142-E145 HydrophobicContact CB-CG 4Å; D142-E145 PolarHBondContact O-N 3.31Å
143	P	91.1	Very high	91.8	Very high	47 Å²	47	38.1 Å²	38.1	31%	0.305	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20	177.9	27.1	-35.9	0	0	0	113.6	Y112 E145 A146 F149	Y112-P143 HydrophobicContact CD1-CB 4.31Å; Y112-P143 HydrophobicContact CD2-CB 4.23Å; Y112-P143 HydrophobicContact CE1-CB 4.3Å; Y112-P143 HydrophobicContact CE2-CB 4.26Å; Y112-P143 HydrophobicContact CE2-CG 4.45Å; Y112-P143 HydrophobicContact CG-CB 4.26Å; P143-E145 VanDerWaalsContact C-N 3.32Å; P143-A146 PolarHBondContact O-N 3.14Å; P143-F149 HydrophobicContact CB-CE1 4.05Å; P143-F149 WeakPolarHBondContact O-CZ 3.31Å
144	R	89.3	Confident	91.6	Very high	207 Å²	207	38.3 Å²	38.3	78%	0.781	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.6	177.9	-61.5	177.6	176.5	179.3	-0.7	112.6	D142	D142-R144 PolarHBondContact O-N 2.84Å; D142-R144 WeakPolarHBondContact OD1-CB 3.44Å; D142-R144 WeakPolarHBondContact OD1-CG 3.35Å; D142-R144 PolarHBondContact OD1-N 3.08Å
145	E	89.7	Confident	91.4	Very high	55 Å²	55	36.3 Å²	36.3	26%	0.257	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13	177.5	-57.9	-166.7	148	0	0	112.7	R104 R110 T140 D142 P143	R104-E145 IonicContact CZ-OE1 2.74Å; R104-E145 IonicContact NH1-OE1 2.84Å; R104-E145 PolarHBondContact NH1-OE1 3.2Å; R104-E145 IonicContact NH1-OE2 3.78Å; R104-E145 IonicContact NH2-OE1 3.72Å; R104-E145 PolarHBondContact NH2-OE1 2.86Å; R110-E145 WeakPolarHBondContact CB-O 3.47Å; T140-E145 HydrophobicContact CG2-CB 4.21Å; T140-E145 PolarHBondContact OG1-OE2 3.02Å; T140-E145 VanDerWaalsContact OG1-OE2 3.13Å; D142-E145 HydrophobicContact CB-CB 4.47Å; D142-E145 HydrophobicContact CB-CG 4Å; D142-E145 PolarHBondContact O-N 3.31Å; P143-E145 VanDerWaalsContact C-N 3.32Å
146	A	91.9	Very high	91.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.			trans	-76.5	129.4	-172.6	0	0	0	0	0	113.2	Y112 T140 P143 F149	Y112-A146 VanDerWaalsContact CB-CB 3.44Å; T140-A146 HydrophobicContact CG2-CB 4.1Å; P143-A146 PolarHBondContact O-N 3.14Å; A146-F149 HydrophobicContact CB-CE1 4Å; A146-F149 HydrophobicContact CB-CE2 4.2Å; A146-F149 HydrophobicContact CB-CZ 3.75Å
147	C	92.9	Very high	91.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-83.3	-38.2	167.7	163.8	0	0	0	0	111.1	C101 G108 F109 R110 N184	C101-C147 HydrophobicContact CB-CB 3.75Å; C101-C147 WeakPolarHBondContact CB-SG 3.4Å; C101-C147 WeakPolarHBondContact SG-CB 3.37Å; C101-C147 CovalentContact SG-SG 2.02Å; C101-C147 PolarHBondContact SG-SG 3.47Å; G108-C147 WeakPolarHBondContact O-CB 3.41Å; F109-C147 HydrophobicContact CD2-CB 4.48Å; F109-C147 VanDerWaalsContact CD2-SG 3.57Å; R110-C147 WeakPolarHBondContact O-CA 3.47Å; R110-C147 WeakPolarHBondContact O-CB 3.37Å; R110-C147 PolarHBondContact O-N 2.7Å; C147-N184 WeakPolarHBondContact O-CB 3.32Å; C147-N184 PolarHBondContact O-ND2 2.75Å
148	L	94.6	Very high	91.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.9	-175.7	-166.9	76.2	0	0	0	110.6	F96 R110 V111 Y112 N184 L186 I210 L423 I426	F96-L148 HydrophobicContact CE2-CD1 4.11Å; R110-L148 PolarHBondContact O-N 3.17Å; V111-L148 WeakPolarHBondContact CA-O 3.36Å; V111-L148 HydrophobicContact CG2-CB 4.22Å; V111-L148 HydrophobicContact CG2-CD2 4.26Å; Y112-L148 PolarHBondContact N-O 2.76Å; L148-N184 CarbonylContact C-O 3.57Å; L148-N184 WeakPolarHBondContact CA-O 3.45Å; L148-N184 WeakPolarHBondContact CD1-O 3.41Å; L148-L186 HydrophobicContact CD1-CB 4.15Å; L148-L186 HydrophobicContact CD2-CB 3.83Å; L148-L186 HydrophobicContact CD2-CD2 3.82Å; L148-L186 HydrophobicContact CD2-CG 4.45Å; L148-L186 HydrophobicContact CG-CB 4.06Å; L148-I210 HydrophobicContact CD1-CD1 4.49Å; L148-L423 HydrophobicContact CD2-CD2 3.89Å; L148-I426 HydrophobicContact CD2-CD1 4.4Å
149	F	95	Very high	91	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.7	-179.8	-65.5	-94.6	0	0	0	110.6	R100 Y112 Y114 P143 A146 N184 H185 L186	R100-F149 VanDerWaalsContact NH1-CE2 3.33Å; R100-F149 VanDerWaalsContact NH1-CZ 3.31Å; Y112-F149 AromaticContact CD1-CD1 3.74Å; Y112-F149 HydrophobicContact CD1-CD1 3.74Å; Y112-F149 HydrophobicContact CD1-CE1 4.01Å; Y112-F149 HydrophobicContact CG-CD1 4.37Å; Y112-F149 HydrophobicContact CG-CE1 4.39Å; Y112-F149 WeakPolarHBondContact O-CA 3.31Å; Y114-F149 HydrophobicContact CE2-CB 3.88Å; Y114-F149 HydrophobicContact CE2-CD1 4.15Å; Y114-F149 HydrophobicContact CE2-CG 4.42Å; Y114-F149 AromaticContact CZ-CD1 3.98Å; P143-F149 HydrophobicContact CB-CE1 4.05Å; P143-F149 WeakPolarHBondContact O-CZ 3.31Å; A146-F149 HydrophobicContact CB-CE1 4Å; A146-F149 HydrophobicContact CB-CE2 4.2Å; A146-F149 HydrophobicContact CB-CZ 3.75Å; F149-N184 HydrophobicContact CD2-CB 4.39Å; F149-N184 PolarHBondContact N-O 2.91Å; F149-H185 VanDerWaalsContact CB-CD2 3.48Å; F149-H185 WeakPolarHBondContact CB-CD2 3.41Å; F149-H185 WeakPolarHBondContact CB-NE2 3.35Å; F149-H185 AromaticContact CG-NE2 3.92Å; F149-H185 CarbonylContact O-C 3.51Å; F149-H185 VanDerWaalsContact O-CA 3.31Å; F149-H185 WeakPolarHBondContact O-CA 3.46Å; F149-L186 PolarHBondContact O-N 3.21Å
150	V	95.1	Very high	90.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.8	177.7	178	0	0	0	0	109.2	V111 Y112 I113 Y114 L130 I133 L186 F188	V111-V150 HydrophobicContact CG1-CG2 3.74Å; Y112-V150 PolarHBondContact O-N 3.37Å; I113-V150 WeakPolarHBondContact CA-O 3.38Å; Y114-V150 WeakPolarHBondContact CD2-O 3.47Å; Y114-V150 PolarHBondContact N-O 3.02Å; L130-V150 HydrophobicContact CD2-CG1 4.14Å; I133-V150 HydrophobicContact CD1-CB 4.44Å; I133-V150 HydrophobicContact CD1-CG1 4.05Å; I133-V150 HydrophobicContact CD1-CG2 4.08Å; V150-L186 HydrophobicContact CG2-CB 4.17Å; V150-L186 HydrophobicContact CG2-CD2 4.45Å; V150-F188 HydrophobicContact CG1-CE2 4.38Å
151	L	91.9	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.			trans	-69.4	139	-177.4	-57.3	-179.7	0	0	0	111.1	Y114 Y126 I153 T155 M169 I173 F176 W179 I187	Y114-L151 HydrophobicContact CD2-CD2 4.03Å; Y114-L151 HydrophobicContact CE2-CD2 4.19Å; Y126-L151 PolarHBondContact OH-O 3.06Å; L151-I153 PolarHBondContact O-N 3.12Å; L151-T155 HydrophobicContact CD1-CG2 4.21Å; L151-M169 HydrophobicContact CD1-CE 3.88Å; L151-I173 HydrophobicContact CD1-CD1 4.15Å; L151-I173 HydrophobicContact CD1-CG1 4.22Å; L151-F176 HydrophobicContact CD2-CD2 3.98Å; L151-F176 HydrophobicContact CD2-CE2 3.93Å; L151-W179 HydrophobicContact CD1-CZ3 4.45Å; L151-W179 HydrophobicContact CD2-CE3 4.27Å; L151-W179 HydrophobicContact CD2-CZ3 4.05Å; L151-I187 HydrophobicContact CD1-CD1 4.41Å; L151-I187 HydrophobicContact CD1-CG1 4.13Å
152	G	88.9	Confident	89.5	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.01	17%	0.168	C	C	.	.	S	Bend	trans	-76.3	-11.5	170.7	0	0	0	0	0	113.6	Y114	Y114-G152 VanDerWaalsContact O-CA 3.24Å; Y114-G152 WeakPolarHBondContact O-CA 3.49Å
153	I	88.8	Confident	88.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	-91.2	139.6	-176.7	-55.2	170.6	0	0	0	109.9	Y126 L151 T155 V166 M169 R172 F176	Y126-I153 WeakPolarHBondContact CE1-O 3.33Å; Y126-I153 VanDerWaalsContact CZ-O 3.27Å; Y126-I153 PolarHBondContact OH-O 2.71Å; L151-I153 PolarHBondContact O-N 3.12Å; I153-T155 PolarHBondContact O-N 2.97Å; I153-V166 HydrophobicContact CG2-CB 4.41Å; I153-V166 HydrophobicContact CG2-CG1 3.88Å; I153-V166 HydrophobicContact CG2-CG2 4.28Å; I153-M169 HydrophobicContact CB-CE 3.82Å; I153-M169 HydrophobicContact CB-SD 4.43Å; I153-M169 HydrophobicContact CD1-CE 4.21Å; I153-M169 HydrophobicContact CG2-CE 3.72Å; I153-M169 HydrophobicContact CG2-SD 3.69Å; I153-R172 HydrophobicContact CD1-CB 3.8Å; I153-F176 HydrophobicContact CD1-CE2 3.72Å; I153-F176 HydrophobicContact CD1-CZ 3.59Å; I153-F176 HydrophobicContact CG1-CE2 4.44Å; I153-F176 HydrophobicContact CG1-CZ 4.03Å
154	D	90.2	Very high	88.4	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.202	C	C	.	.			trans	-67.4	118.8	178.6	-159.9	-27.5	0	0	0	111.9	S123 Y126 L156 V166	S123-D154 WeakPolarHBondContact CA-OD2 3.2Å; S123-D154 WeakPolarHBondContact CB-OD2 3.4Å; S123-D154 PolarHBondContact N-OD2 2.79Å; S123-D154 PolarHBondContact OG-OD2 3.36Å; Y126-D154 WeakPolarHBondContact CB-OD2 3.04Å; Y126-D154 HydrophobicContact CD1-CB 4.1Å; Y126-D154 HydrophobicContact CG-CB 4.32Å; D154-L156 WeakPolarHBondContact OD1-CB 2.87Å; D154-L156 WeakPolarHBondContact OD1-CG 3.46Å; D154-L156 PolarHBondContact OD1-N 3.14Å; D154-V166 HydrophobicContact CB-CG2 4.33Å
155	T	89.9	Confident	88.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.			trans	-117.1	5.9	179.2	44.3	0	0	0	0	112.5	L151 I153 M169 I187 F188 N189 F204	L151-T155 HydrophobicContact CD1-CG2 4.21Å; I153-T155 PolarHBondContact O-N 2.97Å; T155-M169 HydrophobicContact CG2-CE 3.3Å; T155-M169 HydrophobicContact CG2-SD 4.33Å; T155-I187 HydrophobicContact CG2-CG2 4.37Å; T155-F188 CarbonylContact C-O 3.59Å; T155-F188 PolarHBondContact OG1-O 2.73Å; T155-N189 PolarHBondContact O-OD1 3.45Å; T155-F204 HydrophobicContact CG2-CZ 4.25Å
156	L	90.7	Very high	87.9	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.016	17%	0.17	C	C	.	.	S	Bend	trans	-70.6	-38.1	-173.4	-64	-169.4	0	0	0	113.4	Y126 I129 D154 F188 L190 Y191	Y126-L156 HydrophobicContact CD2-CD1 3.95Å; Y126-L156 HydrophobicContact CD2-CD2 3.72Å; Y126-L156 HydrophobicContact CD2-CG 3.52Å; Y126-L156 HydrophobicContact CE2-CD2 4.24Å; Y126-L156 HydrophobicContact CE2-CG 4.39Å; Y126-L156 HydrophobicContact CG-CD1 4.34Å; Y126-L156 HydrophobicContact CG-CG 4.15Å; I129-L156 HydrophobicContact CD1-CD1 4.07Å; I129-L156 HydrophobicContact CD1-CD2 3.79Å; I129-L156 HydrophobicContact CD1-CG 4.49Å; D154-L156 WeakPolarHBondContact OD1-CB 2.87Å; D154-L156 WeakPolarHBondContact OD1-CG 3.46Å; D154-L156 PolarHBondContact OD1-N 3.14Å; L156-F188 HydrophobicContact CD2-CB 3.72Å; L156-L190 HydrophobicContact CD1-CD1 4.13Å; L156-L190 HydrophobicContact CD2-CG 4.16Å; L156-L190 PolarHBondContact O-N 3.32Å; L156-Y191 PolarHBondContact O-N 3.03Å
157	D	89.1	Confident	87.5	Confident	16 Å²	16	32.6 Å²	32.6	9%	0.086	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-117.3	109.5	-175.4	-163.4	-6.7	0	0	0	111.3	D159 S162 Q164 Y191	D157-D159 WeakPolarHBondContact OD1-CB 3.24Å; D157-D159 PolarHBondContact OD1-N 2.83Å; D157-S162 WeakPolarHBondContact OD2-CB 3.42Å; D157-S162 PolarHBondContact OD2-OG 3.28Å; D157-Q164 HydrophobicContact CB-CB 4.24Å; D157-Y191 HydrophobicContact CB-CD2 4.06Å
158	R	86.9	Confident	87.1	Confident	11 Å²	11	37.8 Å²	37.8	4%	0.042	22%	0.218	C	C	.	.			trans	-106.7	20.1	177	-55.3	-53.8	-59.8	162.5	3	112	V166 Y191 L202	R158-V166 PolarHBondContact NH1-O 2.98Å; R158-V166 PolarHBondContact NH2-O 3.17Å; R158-Y191 PolarHBondContact N-O 3.1Å; R158-L202 HydrophobicContact CG-CB 4.32Å; R158-L202 HydrophobicContact CG-CD2 4.08Å; R158-L202 PolarHBondContact NE-O 3.45Å
159	D	83.9	Confident	86.5	Confident	24 Å²	24	38 Å²	38	13%	0.128	22%	0.219	C	C	.	.			trans	-80.4	115.1	169	-168.3	-30.8	0	0	0	109.9	D157 L161 S162 F165 T194	D157-D159 WeakPolarHBondContact OD1-CB 3.24Å; D157-D159 PolarHBondContact OD1-N 2.83Å; D159-L161 PolarHBondContact O-N 3.34Å; D159-L161 VanDerWaalsContact O-N 3.12Å; D159-L161 WeakPolarHBondContact OD1-CB 3.48Å; D159-L161 PolarHBondContact OD1-N 2.89Å; D159-S162 WeakPolarHBondContact O-CB 3.23Å; D159-S162 PolarHBondContact O-N 2.89Å; D159-F165 WeakPolarHBondContact O-CB 3.49Å; D159-T194 WeakPolarHBondContact CA-OG1 3.19Å; D159-T194 WeakPolarHBondContact OD1-CG2 3.43Å
160	Q	83.8	Confident	85.9	Confident	140 Å²	140	40.3 Å²	40.3	65%	0.654	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.6	-177.2	-64.6	177.8	-4.7	0	0	113.2	S162 F165 T194	Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-F165 HydrophobicContact CG-CD2 4.46Å; Q160-F165 HydrophobicContact CG-CE1 4.47Å; Q160-F165 HydrophobicContact CG-CE2 3.97Å; Q160-F165 HydrophobicContact CG-CZ 3.98Å; Q160-T194 HydrophobicContact CB-CG2 4.29Å; Q160-T194 PolarHBondContact N-OG1 3.14Å
161	L	82.3	Confident	85.4	Confident	132 Å²	132	46.5 Å²	46.5	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.4	177.2	-57.9	175.1	0	0	0	112.4	D159 T194 W195	D159-L161 PolarHBondContact O-N 3.34Å; D159-L161 VanDerWaalsContact O-N 3.12Å; D159-L161 WeakPolarHBondContact OD1-CB 3.48Å; D159-L161 PolarHBondContact OD1-N 2.89Å; L161-T194 HydrophobicContact CD1-CG2 4.1Å; L161-T194 HydrophobicContact CG-CG2 3.93Å; L161-W195 HydrophobicContact CD1-CB 4.41Å
162	S	81.7	Confident	85.1	Confident	29 Å²	29	49.6 Å²	49.6	20%	0.203	27%	0.273	C	S	.	.	S	Bend	trans	-79.7	137.9	-179.9	-173.8	0	0	0	0	111.3	D157 D159 Q160 Q164 F165	D157-S162 WeakPolarHBondContact OD2-CB 3.42Å; D157-S162 PolarHBondContact OD2-OG 3.28Å; D159-S162 WeakPolarHBondContact O-CB 3.23Å; D159-S162 PolarHBondContact O-N 2.89Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; S162-Q164 PolarHBondContact O-N 2.99Å; S162-Q164 VanDerWaalsContact O-N 3.1Å; S162-Q164 PolarHBondContact OG-N 2.84Å; S162-F165 VanDerWaalsContact O-CB 3.31Å; S162-F165 WeakPolarHBondContact O-CB 3.29Å; S162-F165 PolarHBondContact O-N 2.76Å; S162-F165 VanDerWaalsContact O-N 3.12Å
163	G	78.7	Confident	84.9	Confident	90 Å²	90	49.7 Å²	49.7	93%	0.928	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.8	170.1	0	0	0	0	0	113.9
164	Q	81.6	Confident	84.7	Confident	89 Å²	89	58.3 Å²	58.3	42%	0.416	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	0.2	176.3	-60.3	-179.8	3.4	0	0	112.6	D157 S162 V166	D157-Q164 HydrophobicContact CB-CB 4.24Å; S162-Q164 PolarHBondContact O-N 2.99Å; S162-Q164 VanDerWaalsContact O-N 3.1Å; S162-Q164 PolarHBondContact OG-N 2.84Å; Q164-V166 PolarHBondContact O-N 3.35Å
165	F	84.8	Confident	84.4	Confident	58 Å²	58	61.4 Å²	61.4	25%	0.254	33%	0.327	S	S	.	.			trans	-67.8	127.4	178.5	-178.1	-100.5	0	0	0	111.5	D159 Q160 S162 P167	D159-F165 WeakPolarHBondContact O-CB 3.49Å; Q160-F165 HydrophobicContact CG-CD2 4.46Å; Q160-F165 HydrophobicContact CG-CE1 4.47Å; Q160-F165 HydrophobicContact CG-CE2 3.97Å; Q160-F165 HydrophobicContact CG-CZ 3.98Å; S162-F165 VanDerWaalsContact O-CB 3.31Å; S162-F165 WeakPolarHBondContact O-CB 3.29Å; S162-F165 PolarHBondContact O-N 2.76Å; S162-F165 VanDerWaalsContact O-N 3.12Å; F165-P167 HydrophobicContact CE1-CB 4.2Å; F165-P167 WeakPolarHBondContact O-CD 3.44Å
166	V	83.3	Confident	84.3	Confident	17 Å²	17	62.2 Å²	62.2	10%	0.103	33%	0.331	C	S	.	.			trans	-98.4	115	174.7	-176.2	0	0	0	0	110	I153 D154 R158 Q164 M169	I153-V166 HydrophobicContact CG2-CB 4.41Å; I153-V166 HydrophobicContact CG2-CG1 3.88Å; I153-V166 HydrophobicContact CG2-CG2 4.28Å; D154-V166 HydrophobicContact CB-CG2 4.33Å; R158-V166 PolarHBondContact NH1-O 2.98Å; R158-V166 PolarHBondContact NH2-O 3.17Å; Q164-V166 PolarHBondContact O-N 3.35Å; V166-M169 HydrophobicContact CG1-SD 4.42Å
167	P	83.9	Confident	84	Confident	67 Å²	67	68 Å²	68	44%	0.435	37%	0.368	S	S	.	.	S	Bend	trans	-77.5	163.3	177	32.4	-34.8	0	0	0	112.6	F165 M169	F165-P167 HydrophobicContact CE1-CB 4.2Å; F165-P167 WeakPolarHBondContact O-CD 3.44Å; P167-M169 VanDerWaalsContact C-N 3.32Å; P167-M169 PolarHBondContact O-N 3.3Å
168	N	83.4	Confident	83.8	Confident	108 Å²	108	68.6 Å²	68.6	58%	0.578	37%	0.374	S	S	*	.			trans	53.4	41.9	176.2	-59.5	-4.5	0	0	0	114.3	D170 E171 R172	N168-D170 VanDerWaalsContact C-N 3.34Å; N168-D170 PolarHBondContact O-N 3.36Å; N168-E171 PolarHBondContact O-N 3.06Å; N168-R172 WeakPolarHBondContact O-CG 3.21Å; N168-R172 PolarHBondContact O-N 2.76Å
169	M	83.4	Confident	83.7	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.02	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-38.8	-176.1	-165.5	71.4	-170.8	0	0	112.6	L151 I153 T155 V166 P167 E171 R172 I173 F204	L151-M169 HydrophobicContact CD1-CE 3.88Å; I153-M169 HydrophobicContact CB-CE 3.82Å; I153-M169 HydrophobicContact CB-SD 4.43Å; I153-M169 HydrophobicContact CD1-CE 4.21Å; I153-M169 HydrophobicContact CG2-CE 3.72Å; I153-M169 HydrophobicContact CG2-SD 3.69Å; T155-M169 HydrophobicContact CG2-CE 3.3Å; T155-M169 HydrophobicContact CG2-SD 4.33Å; V166-M169 HydrophobicContact CG1-SD 4.42Å; P167-M169 VanDerWaalsContact C-N 3.32Å; P167-M169 PolarHBondContact O-N 3.3Å; M169-E171 PolarHBondContact O-N 2.84Å; M169-R172 PolarHBondContact O-N 3.13Å; M169-I173 HydrophobicContact CE-CD1 3.72Å; M169-I173 HydrophobicContact CE-CG1 3.75Å; M169-I173 HydrophobicContact CG-CD1 3.6Å; M169-I173 HydrophobicContact CG-CG1 4.06Å; M169-I173 WeakPolarHBondContact O-CB 3.23Å; M169-I173 VanDerWaalsContact O-CG1 3.26Å; M169-I173 WeakPolarHBondContact O-CG1 3.42Å; M169-I173 PolarHBondContact O-N 2.89Å; M169-I173 HydrophobicContact SD-CD1 4.47Å; M169-F204 HydrophobicContact CB-CB 3.99Å; M169-F204 HydrophobicContact CB-CD1 4.22Å; M169-F204 HydrophobicContact CB-CG 4.13Å; M169-F204 HydrophobicContact CG-CB 4.28Å; M169-F204 HydrophobicContact CG-CD1 3.94Å; M169-F204 HydrophobicContact CG-CD2 4.23Å; M169-F204 HydrophobicContact CG-CE1 4.29Å; M169-F204 HydrophobicContact CG-CG 3.91Å
170	D	82.4	Confident	83.8	Confident	52 Å²	52	72.3 Å²	72.3	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-41.2	-179.8	-73.5	-53.9	0	0	0	113	N168 R174 F204 N205	N168-D170 VanDerWaalsContact C-N 3.34Å; N168-D170 PolarHBondContact O-N 3.36Å; D170-R174 WeakPolarHBondContact O-CB 3.37Å; D170-R174 VanDerWaalsContact O-CG 3.25Å; D170-R174 WeakPolarHBondContact O-CG 3.38Å; D170-R174 PolarHBondContact O-N 3.46Å; D170-R174 VanDerWaalsContact O-N 3.12Å; D170-F204 WeakPolarHBondContact OD1-CA 3.22Å; D170-F204 WeakPolarHBondContact OD1-CB 3.35Å; D170-N205 PolarHBondContact OD1-N 2.82Å
171	E	84.6	Confident	83.8	Confident	129 Å²	129	70 Å²	70	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-66.4	-43.3	178.2	-66.6	176.9	172	0	0	111	N168 M169 R174 S175	N168-E171 PolarHBondContact O-N 3.06Å; M169-E171 PolarHBondContact O-N 2.84Å; E171-R174 PolarHBondContact O-N 2.83Å; E171-S175 PolarHBondContact O-N 3.5Å
172	R	85	Confident	83.9	Confident	66 Å²	66	63.7 Å²	63.7	25%	0.249	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-39.7	178	-65.6	179.1	-178.7	-140.9	-0.1	112.4	D120 I153 N168 M169 R174 S175	D120-R172 IonicContact OD1-CZ 3.42Å; D120-R172 IonicContact OD1-NH1 3.52Å; D120-R172 PolarHBondContact OD1-NH1 3Å; D120-R172 IonicContact OD2-NH1 2.8Å; I153-R172 HydrophobicContact CD1-CB 3.8Å; N168-R172 WeakPolarHBondContact O-CG 3.21Å; N168-R172 PolarHBondContact O-N 2.76Å; M169-R172 PolarHBondContact O-N 3.13Å; R172-R174 VanDerWaalsContact C-N 3.33Å; R172-R174 PolarHBondContact O-N 3.3Å; R172-S175 PolarHBondContact O-N 3.06Å; R172-S175 PolarHBondContact O-OG 3.25Å
173	I	84.6	Confident	84.3	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-39.8	178.6	-73.5	175	0	0	0	110.7	L151 M169 S175 F176 W179 F204	L151-I173 HydrophobicContact CD1-CD1 4.15Å; L151-I173 HydrophobicContact CD1-CG1 4.22Å; M169-I173 HydrophobicContact CE-CD1 3.72Å; M169-I173 HydrophobicContact CE-CG1 3.75Å; M169-I173 HydrophobicContact CG-CD1 3.6Å; M169-I173 HydrophobicContact CG-CG1 4.06Å; M169-I173 WeakPolarHBondContact O-CB 3.23Å; M169-I173 VanDerWaalsContact O-CG1 3.26Å; M169-I173 WeakPolarHBondContact O-CG1 3.42Å; M169-I173 PolarHBondContact O-N 2.89Å; M169-I173 HydrophobicContact SD-CD1 4.47Å; I173-S175 PolarHBondContact O-N 3.14Å; I173-F176 PolarHBondContact O-N 3.14Å; I173-W179 HydrophobicContact CG2-CD2 3.16Å; I173-W179 HydrophobicContact CG2-CE3 3.51Å; I173-W179 HydrophobicContact CG2-CG 3.68Å; I173-W179 HydrophobicContact CG2-CH2 3.79Å; I173-W179 HydrophobicContact CG2-CZ2 3.45Å; I173-W179 VanDerWaalsContact CG2-CZ2 3.45Å; I173-W179 HydrophobicContact CG2-CZ3 3.81Å; I173-F204 HydrophobicContact CD1-CD2 3.54Å; I173-F204 HydrophobicContact CD1-CE2 3.61Å; I173-F204 HydrophobicContact CD1-CG 4.4Å
174	R	83.8	Confident	85	Confident	183 Å²	183	62.1 Å²	62.1	69%	0.691	31%	0.314	S	S	*	.	H	α-helix	trans	-67.1	-22.4	177.6	-72.8	175	-167.6	163.6	6.6	113.4	D170 E171 R172 F176	D170-R174 WeakPolarHBondContact O-CB 3.37Å; D170-R174 VanDerWaalsContact O-CG 3.25Å; D170-R174 WeakPolarHBondContact O-CG 3.38Å; D170-R174 PolarHBondContact O-N 3.46Å; D170-R174 VanDerWaalsContact O-N 3.12Å; E171-R174 PolarHBondContact O-N 2.83Å; R172-R174 VanDerWaalsContact C-N 3.33Å; R172-R174 PolarHBondContact O-N 3.3Å; R174-F176 PolarHBondContact O-N 3.03Å
175	S	85.3	Confident	85.5	Confident	70 Å²	70	57.9 Å²	57.9	49%	0.49	29%	0.294	S	S	.	.	H	α-helix	trans	-71.3	-19.7	175.8	81.1	0	0	0	0	112.6	E171 R172 I173 P177	E171-S175 PolarHBondContact O-N 3.5Å; R172-S175 PolarHBondContact O-N 3.06Å; R172-S175 PolarHBondContact O-OG 3.25Å; I173-S175 PolarHBondContact O-N 3.14Å; S175-P177 WeakPolarHBondContact O-CD 3.5Å
176	F	86.7	Confident	86	Confident	17 Å²	17	55.1 Å²	55.1	8%	0.075	28%	0.282	C	S	.	.	S	Bend	trans	-71.1	124	-178.8	-68.4	-53.9	0	0	0	112.1	Y114 L151 I153 I173 R174 S178 W179	Y114-F176 HydrophobicContact CD1-CB 4.28Å; Y114-F176 AromaticContact CD1-CD1 3.57Å; Y114-F176 HydrophobicContact CD1-CD1 3.57Å; Y114-F176 HydrophobicContact CD1-CE1 4.13Å; Y114-F176 HydrophobicContact CD1-CG 4.02Å; Y114-F176 HydrophobicContact CE1-CB 3.83Å; Y114-F176 HydrophobicContact CE1-CD1 4.02Å; Y114-F176 HydrophobicContact CE1-CG 4.08Å; Y114-F176 AromaticContact CG-CD1 3.9Å; Y114-F176 HydrophobicContact CG-CD1 3.9Å; Y114-F176 HydrophobicContact CG-CE1 4.08Å; Y114-F176 HydrophobicContact CG-CG 4.26Å; L151-F176 HydrophobicContact CD2-CD2 3.98Å; L151-F176 HydrophobicContact CD2-CE2 3.93Å; I153-F176 HydrophobicContact CD1-CE2 3.72Å; I153-F176 HydrophobicContact CD1-CZ 3.59Å; I153-F176 HydrophobicContact CG1-CE2 4.44Å; I153-F176 HydrophobicContact CG1-CZ 4.03Å; I173-F176 PolarHBondContact O-N 3.14Å; R174-F176 PolarHBondContact O-N 3.03Å; F176-S178 PolarHBondContact O-N 2.8Å; F176-W179 HydrophobicContact CB-CB 4.4Å; F176-W179 PolarHBondContact O-N 2.9Å
177	P	84.4	Confident	86.5	Confident	123 Å²	123	54.4 Å²	54.4	80%	0.799	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.9	-172.2	-26.4	33.2	0	0	0	115.7	S175	S175-P177 WeakPolarHBondContact O-CD 3.5Å
178	S	85	Confident	87	Confident	30 Å²	30	51.3 Å²	51.3	21%	0.21	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	10.1	-174.4	-72.4	0	0	0	0	114	Y114 F176 N180 H185	Y114-S178 WeakPolarHBondContact OH-CB 3.25Å; F176-S178 PolarHBondContact O-N 2.8Å; S178-N180 VanDerWaalsContact C-N 3.3Å; S178-N180 PolarHBondContact O-N 2.87Å; S178-N180 PolarHBondContact O-ND2 2.89Å; S178-H185 PolarHBondContact O-CE1 2.95Å
179	W	85.8	Confident	87.5	Confident	21 Å²	21	46.2 Å²	46.2	8%	0.08	23%	0.23	C	C	.	.			trans	-53.6	-41.3	-175.6	177.6	-116.4	0	0	0	113.6	L151 I173 F176 D181 G182 H185 I187 A209	L151-W179 HydrophobicContact CD1-CZ3 4.45Å; L151-W179 HydrophobicContact CD2-CE3 4.27Å; L151-W179 HydrophobicContact CD2-CZ3 4.05Å; I173-W179 HydrophobicContact CG2-CD2 3.16Å; I173-W179 HydrophobicContact CG2-CE3 3.51Å; I173-W179 HydrophobicContact CG2-CG 3.68Å; I173-W179 HydrophobicContact CG2-CH2 3.79Å; I173-W179 HydrophobicContact CG2-CZ2 3.45Å; I173-W179 VanDerWaalsContact CG2-CZ2 3.45Å; I173-W179 HydrophobicContact CG2-CZ3 3.81Å; F176-W179 HydrophobicContact CB-CB 4.4Å; F176-W179 PolarHBondContact O-N 2.9Å; W179-D181 VanDerWaalsContact C-N 3.25Å; W179-D181 PolarHBondContact O-N 3.21Å; W179-D181 VanDerWaalsContact O-N 3.14Å; W179-G182 VanDerWaalsContact CE2-N 3.31Å; W179-G182 WeakPolarHBondContact O-CA 3.28Å; W179-G182 PolarHBondContact O-N 2.78Å; W179-H185 VanDerWaalsContact CA-CE1 3.5Å; W179-H185 WeakPolarHBondContact CA-CE1 3.5Å; W179-H185 HydrophobicContact CE3-CB 4.33Å; W179-H185 AromaticContact CE3-CD2 3.4Å; W179-H185 AromaticContact CE3-CG 3.66Å; W179-H185 AromaticContact CE3-NE2 3.77Å; W179-H185 HydrophobicContact CH2-CB 4.47Å; W179-H185 HydrophobicContact CZ3-CB 3.78Å; W179-H185 AromaticContact CZ3-CD2 3.61Å; W179-H185 AromaticContact CZ3-CG 3.62Å; W179-H185 PolarHBondContact O-CE1 3.05Å; W179-H185 PolarHBondContact O-ND1 2.88Å; W179-I187 HydrophobicContact CH2-CD1 4.03Å; W179-A209 HydrophobicContact CH2-CB 4.16Å
180	N	86	Confident	87.8	Confident	92 Å²	92	46 Å²	46	49%	0.492	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	44	48.1	175.3	-64.1	-51.5	0	0	0	113.6	S178 G182 R183	S178-N180 VanDerWaalsContact C-N 3.3Å; S178-N180 PolarHBondContact O-N 2.87Å; S178-N180 PolarHBondContact O-ND2 2.89Å; N180-G182 PolarHBondContact O-N 3.05Å; N180-R183 HydrophobicContact CB-CB 4.33Å; N180-R183 WeakPolarHBondContact O-CB 3.2Å; N180-R183 PolarHBondContact O-N 2.77Å; N180-R183 VanDerWaalsContact O-N 3.1Å
181	D	84.2	Confident	88.1	Confident	90 Å²	90	45.6 Å²	45.6	48%	0.481	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	54.7	33.6	-176.2	-162.6	40.2	0	0	0	113.9	W179 R183 Q208	W179-D181 VanDerWaalsContact C-N 3.25Å; W179-D181 PolarHBondContact O-N 3.21Å; W179-D181 VanDerWaalsContact O-N 3.14Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 3.41Å; D181-Q208 WeakPolarHBondContact O-CB 3.31Å; D181-Q208 PolarHBondContact O-N 3.44Å
182	G	83.4	Confident	88	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	83.9	-0.8	179.5	0	0	0	0	0	114.8	W179 N180 N184 H185 Q208 A209	W179-G182 VanDerWaalsContact CE2-N 3.31Å; W179-G182 WeakPolarHBondContact O-CA 3.28Å; W179-G182 PolarHBondContact O-N 2.78Å; N180-G182 PolarHBondContact O-N 3.05Å; G182-N184 PolarHBondContact O-N 3.21Å; G182-H185 WeakPolarHBondContact O-CB 3.35Å; G182-H185 PolarHBondContact O-N 3.1Å; G182-H185 PolarHBondContact O-ND1 3.21Å; G182-Q208 CarbonylContact O-C 3.42Å; G182-A209 WeakPolarHBondContact O-CA 3.39Å; G182-A209 PolarHBondContact O-N 3.19Å
183	R	89.7	Confident	87.5	Confident	84 Å²	84	36.5 Å²	36.5	32%	0.317	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	129.7	-178.5	-158.5	173.6	-151.5	-141.4	2.6	111.3	T94 C95 D97 N180 D181 H185	T94-R183 PolarHBondContact O-NH2 2.59Å; C95-R183 WeakPolarHBondContact O-CG 3.38Å; D97-R183 HydrophobicContact CB-CG 4.45Å; N180-R183 HydrophobicContact CB-CB 4.33Å; N180-R183 WeakPolarHBondContact O-CB 3.2Å; N180-R183 PolarHBondContact O-N 2.77Å; N180-R183 VanDerWaalsContact O-N 3.1Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 3.41Å; R183-H185 PolarHBondContact O-CE1 3.12Å; R183-H185 PolarHBondContact O-N 3.32Å; R183-H185 PolarHBondContact O-ND1 3.1Å
184	N	93	Very high	87.1	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	20.3	-173.8	-64.4	45.2	0	0	0	114.9	F96 D97 C147 L148 F149 G182	F96-N184 HydrophobicContact CE2-CB 4.28Å; D97-N184 WeakPolarHBondContact CA-OD1 3.49Å; D97-N184 VanDerWaalsContact CB-OD1 3.24Å; D97-N184 WeakPolarHBondContact CB-OD1 3.45Å; D97-N184 PolarHBondContact N-OD1 3.43Å; D97-N184 PolarHBondContact O-ND2 3.15Å; C147-N184 WeakPolarHBondContact O-CB 3.32Å; C147-N184 PolarHBondContact O-ND2 2.75Å; L148-N184 CarbonylContact C-O 3.57Å; L148-N184 WeakPolarHBondContact CA-O 3.45Å; L148-N184 WeakPolarHBondContact CD1-O 3.41Å; F149-N184 HydrophobicContact CD2-CB 4.39Å; F149-N184 PolarHBondContact N-O 2.91Å; G182-N184 PolarHBondContact O-N 3.21Å
185	H	93.9	Very high	86.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	147.8	173.7	-65.9	66.1	0	0	0	111.2	Y114 F149 S178 W179 G182 R183 A209 I210	Y114-H185 AromaticContact CE2-CD2 3.81Å; Y114-H185 AromaticContact CE2-NE2 3.56Å; Y114-H185 AromaticContact CZ-NE2 3.72Å; Y114-H185 PolarHBondContact OH-NE2 3.24Å; F149-H185 VanDerWaalsContact CB-CD2 3.48Å; F149-H185 WeakPolarHBondContact CB-CD2 3.41Å; F149-H185 WeakPolarHBondContact CB-NE2 3.35Å; F149-H185 AromaticContact CG-NE2 3.92Å; F149-H185 CarbonylContact O-C 3.51Å; F149-H185 VanDerWaalsContact O-CA 3.31Å; F149-H185 WeakPolarHBondContact O-CA 3.46Å; S178-H185 PolarHBondContact O-CE1 2.95Å; W179-H185 VanDerWaalsContact CA-CE1 3.5Å; W179-H185 WeakPolarHBondContact CA-CE1 3.5Å; W179-H185 HydrophobicContact CE3-CB 4.33Å; W179-H185 AromaticContact CE3-CD2 3.4Å; W179-H185 AromaticContact CE3-CG 3.66Å; W179-H185 AromaticContact CE3-NE2 3.77Å; W179-H185 HydrophobicContact CH2-CB 4.47Å; W179-H185 HydrophobicContact CZ3-CB 3.78Å; W179-H185 AromaticContact CZ3-CD2 3.61Å; W179-H185 AromaticContact CZ3-CG 3.62Å; W179-H185 PolarHBondContact O-CE1 3.05Å; W179-H185 PolarHBondContact O-ND1 2.88Å; G182-H185 WeakPolarHBondContact O-CB 3.35Å; G182-H185 PolarHBondContact O-N 3.1Å; G182-H185 PolarHBondContact O-ND1 3.21Å; R183-H185 PolarHBondContact O-CE1 3.12Å; R183-H185 PolarHBondContact O-N 3.32Å; R183-H185 PolarHBondContact O-ND1 3.1Å; H185-A209 HydrophobicContact CB-CB 3.93Å; H185-I210 PolarHBondContact O-N 2.88Å
186	L	95.3	Very high	85.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.8	173	175.4	65.9	0	0	0	109.4	L148 F149 V150 F188 I210 A212 T422 L423 I426	L148-L186 HydrophobicContact CD1-CB 4.15Å; L148-L186 HydrophobicContact CD2-CB 3.83Å; L148-L186 HydrophobicContact CD2-CD2 3.82Å; L148-L186 HydrophobicContact CD2-CG 4.45Å; L148-L186 HydrophobicContact CG-CB 4.06Å; F149-L186 PolarHBondContact O-N 3.21Å; V150-L186 HydrophobicContact CG2-CB 4.17Å; V150-L186 HydrophobicContact CG2-CD2 4.45Å; L186-F188 HydrophobicContact CD2-CE2 3.67Å; L186-F188 HydrophobicContact CD2-CZ 3.6Å; L186-F188 HydrophobicContact CG-CD2 4.49Å; L186-F188 HydrophobicContact CG-CE2 3.94Å; L186-F188 HydrophobicContact CG-CZ 4.2Å; L186-I210 WeakPolarHBondContact CA-O 3.48Å; L186-I210 HydrophobicContact CD1-CB 4.05Å; L186-I210 HydrophobicContact CD1-CG2 3.66Å; L186-A212 HydrophobicContact CD1-CB 3.84Å; L186-T422 HydrophobicContact CD2-CG2 4.33Å; L186-L423 HydrophobicContact CD2-CD2 4.1Å; L186-I426 HydrophobicContact CD1-CD1 3.87Å; L186-I426 HydrophobicContact CD2-CD1 3.94Å; L186-I426 HydrophobicContact CG-CD1 4.47Å
187	I	93.5	Very high	84.3	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.2	178.1	-64.4	173.7	0	0	0	109	L151 T155 W179 F204 V206 A209 I210 L211 A212	L151-I187 HydrophobicContact CD1-CD1 4.41Å; L151-I187 HydrophobicContact CD1-CG1 4.13Å; T155-I187 HydrophobicContact CG2-CG2 4.37Å; W179-I187 HydrophobicContact CH2-CD1 4.03Å; I187-F204 HydrophobicContact CD1-CE2 3.88Å; I187-F204 HydrophobicContact CD1-CZ 4.18Å; I187-F204 HydrophobicContact CG2-CZ 4.36Å; I187-V206 HydrophobicContact CD1-CB 4.39Å; I187-V206 HydrophobicContact CD1-CG1 4.03Å; I187-A209 HydrophobicContact CD1-CB 3.91Å; I187-A209 HydrophobicContact CG1-CB 4.27Å; I187-I210 PolarHBondContact N-O 2.94Å; I187-L211 HydrophobicContact CB-CD1 4.28Å; I187-L211 HydrophobicContact CG2-CD1 4.11Å; I187-A212 PolarHBondContact O-N 3.39Å
188	F	94.6	Very high	83.7	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.9	172.8	-68.3	-89.8	0	0	0	110	Y126 I129 I133 V150 T155 L156 L186 A212 I229 V419 T422	Y126-F188 HydrophobicContact CE2-CB 4.35Å; I129-F188 HydrophobicContact CD1-CB 4.1Å; I129-F188 HydrophobicContact CD1-CD1 4.25Å; I129-F188 HydrophobicContact CD1-CG 4.16Å; I129-F188 HydrophobicContact CG2-CD1 4.36Å; I129-F188 HydrophobicContact CG2-CD2 3.87Å; I129-F188 HydrophobicContact CG2-CE1 4.33Å; I129-F188 HydrophobicContact CG2-CE2 3.83Å; I129-F188 HydrophobicContact CG2-CG 4.14Å; I129-F188 HydrophobicContact CG2-CZ 4.06Å; I133-F188 HydrophobicContact CD1-CE2 4.04Å; I133-F188 HydrophobicContact CD1-CZ 4.45Å; V150-F188 HydrophobicContact CG1-CE2 4.38Å; T155-F188 CarbonylContact C-O 3.59Å; T155-F188 PolarHBondContact OG1-O 2.73Å; L156-F188 HydrophobicContact CD2-CB 3.72Å; L186-F188 HydrophobicContact CD2-CE2 3.67Å; L186-F188 HydrophobicContact CD2-CZ 3.6Å; L186-F188 HydrophobicContact CG-CD2 4.49Å; L186-F188 HydrophobicContact CG-CE2 3.94Å; L186-F188 HydrophobicContact CG-CZ 4.2Å; F188-A212 CarbonylContact C-O 3.37Å; F188-A212 WeakPolarHBondContact CA-O 3.27Å; F188-A212 HydrophobicContact CD1-CB 3.76Å; F188-A212 HydrophobicContact CE1-CB 3.92Å; F188-A212 HydrophobicContact CG-CB 4.39Å; F188-I229 HydrophobicContact CD1-CD1 4.11Å; F188-V419 HydrophobicContact CZ-CG1 4.47Å; F188-T422 HydrophobicContact CE1-CG2 4.23Å; F188-T422 HydrophobicContact CZ-CG2 4.47Å
189	N	92.8	Very high	83.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.8	175.8	178.2	83.3	0	0	0	111.4	T155 L202 L211 A212 K213 A214	T155-N189 PolarHBondContact O-OD1 3.45Å; N189-L202 HydrophobicContact CB-CD2 4.17Å; N189-L202 VanDerWaalsContact CG-CD2 3.42Å; N189-L202 VanDerWaalsContact OD1-CD2 3.3Å; N189-L202 WeakPolarHBondContact OD1-CD2 3.46Å; N189-L211 HydrophobicContact CB-CD1 4.27Å; N189-A212 PolarHBondContact N-O 3.31Å; N189-K213 HydrophobicContact CB-CB 4.32Å; N189-K213 HydrophobicContact CB-CG 4.31Å; N189-K213 CarbonylContact O-C 3.6Å; N189-K213 VanDerWaalsContact O-CA 3.26Å; N189-K213 WeakPolarHBondContact O-CA 3.34Å; N189-A214 PolarHBondContact O-N 3.3Å
190	L	90.8	Very high	82.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-106.3	-35.6	176.8	-67.4	-176.2	0	0	0	112.7	L156 A214 I229 L231 F232	L156-L190 HydrophobicContact CD1-CD1 4.13Å; L156-L190 HydrophobicContact CD2-CG 4.16Å; L156-L190 PolarHBondContact O-N 3.32Å; L190-A214 HydrophobicContact CD2-CB 3.86Å; L190-I229 HydrophobicContact CD2-CD1 3.93Å; L190-I229 HydrophobicContact CD2-CG1 4.49Å; L190-L231 HydrophobicContact CB-CD1 3.94Å; L190-L231 HydrophobicContact CD2-CD1 4.41Å; L190-F232 HydrophobicContact CD1-CD1 4.35Å; L190-F232 HydrophobicContact CD1-CD2 4.33Å; L190-F232 HydrophobicContact CD1-CE1 4.02Å; L190-F232 HydrophobicContact CD1-CE2 4Å; L190-F232 HydrophobicContact CD1-CZ 3.85Å; L190-F232 HydrophobicContact CD2-CD1 4.26Å; L190-F232 HydrophobicContact CD2-CE1 3.97Å
191	Y	87.9	Confident	81.8	Confident	44 Å²	44	39 Å²	39	17%	0.173	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-127.2	101.6	-173.7	-48.1	-78.4	0	0	0	110	L156 D157 R158 L231 F340	L156-Y191 PolarHBondContact O-N 3.03Å; D157-Y191 HydrophobicContact CB-CD2 4.06Å; R158-Y191 PolarHBondContact N-O 3.1Å; Y191-L231 HydrophobicContact CD1-CD1 4.2Å; Y191-L231 HydrophobicContact CE1-CD1 3.73Å; Y191-F340 AromaticContact CE1-CZ 3.91Å; Y191-F340 HydrophobicContact CE1-CZ 3.91Å; Y191-F340 WeakPolarHBondContact OH-CZ 3.29Å
192	S	81.9	Confident	81.5	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.007	17%	0.173	C	C	.	.			trans	-98.8	150.1	172.6	60.3	0	0	0	0	112.5	T199 K213 R336	S192-T199 CarbonylContact C-O 3.41Å; S192-K213 VanDerWaalsContact CB-NZ 3.32Å; S192-K213 WeakPolarHBondContact OG-CE 3.11Å; S192-K213 PolarHBondContact OG-NZ 3.03Å; S192-R336 VanDerWaalsContact O-CZ 3.29Å; S192-R336 PolarHBondContact O-NE 3.33Å; S192-R336 PolarHBondContact O-NH2 3.07Å
193	G	74.6	Confident	81	Confident	3 Å²	3	37.6 Å²	37.6	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	72.4	158.2	175.8	0	0	0	0	0	114.1	T199 R336	G193-T199 VanDerWaalsContact CA-O 3.29Å; G193-T199 WeakPolarHBondContact CA-O 3.37Å; G193-T199 PolarHBondContact N-O 2.94Å; G193-R336 PolarHBondContact O-NH2 3.24Å
194	T	75.9	Confident	80.6	Confident	27 Å²	27	34.2 Å²	34.2	17%	0.166	19%	0.186	C	C	.	.			trans	-117.4	153.5	-177.2	-58.6	0	0	0	0	109.7	D159 Q160 L161 N197 Y198	D159-T194 WeakPolarHBondContact CA-OG1 3.19Å; D159-T194 WeakPolarHBondContact OD1-CG2 3.43Å; Q160-T194 HydrophobicContact CB-CG2 4.29Å; Q160-T194 PolarHBondContact N-OG1 3.14Å; L161-T194 HydrophobicContact CD1-CG2 4.1Å; L161-T194 HydrophobicContact CG-CG2 3.93Å; T194-N197 PolarHBondContact O-N 3.37Å; T194-Y198 PolarHBondContact O-N 2.96Å
195	W	67.8	Low	80	Confident	130 Å²	130	38.8 Å²	38.8	49%	0.492	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	139.4	169.8	178.7	91.9	0	0	0	110.2	L161 Y198	L161-W195 HydrophobicContact CD1-CB 4.41Å; W195-Y198 HydrophobicContact CB-CE2 4.21Å
196	P	65.8	Low	79.3	Confident	57 Å²	57	40.3 Å²	40.3	37%	0.37	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.3	-15.4	6.6	32.5	-32.3	0	0	0	115.5
197	N	64.3	Low	78.8	Confident	115 Å²	115	41.2 Å²	41.2	62%	0.615	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-13.1	-163.1	-67.3	-22.7	0	0	0	115	T194 T199	T194-N197 PolarHBondContact O-N 3.37Å; N197-T199 VanDerWaalsContact C-N 3.31Å; N197-T199 HydrophobicContact CB-CG2 4.35Å; N197-T199 PolarHBondContact O-N 3.29Å; N197-T199 VanDerWaalsContact O-N 3.16Å
198	Y	71.8	Confident	78.6	Confident	29 Å²	29	43.8 Å²	43.8	11%	0.114	24%	0.24	C	C	.	.			trans	39.2	55.6	176.7	-66.5	-73	0	0	0	113.8	T194 W195 R335	T194-Y198 PolarHBondContact O-N 2.96Å; W195-Y198 HydrophobicContact CB-CE2 4.21Å; Y198-R335 HydrophobicContact CD2-CB 4.01Å; Y198-R335 HydrophobicContact CE2-CB 3.82Å; Y198-R335 HydrophobicContact CE2-CG 4.03Å; Y198-R335 HydrophobicContact CG-CB 4.45Å; Y198-R335 WeakPolarHBondContact OH-CD 3.32Å; Y198-R335 PolarHBondContact OH-NH1 3Å
199	T	71.7	Confident	78.3	Confident	75 Å²	75	43.8 Å²	43.8	46%	0.46	24%	0.24	S	C	.	.			trans	-65.4	157.9	-179.2	51.1	0	0	0	0	112.3	S192 G193 N197 D201	S192-T199 CarbonylContact C-O 3.41Å; G193-T199 VanDerWaalsContact CA-O 3.29Å; G193-T199 WeakPolarHBondContact CA-O 3.37Å; G193-T199 PolarHBondContact N-O 2.94Å; N197-T199 VanDerWaalsContact C-N 3.31Å; N197-T199 HydrophobicContact CB-CG2 4.35Å; N197-T199 PolarHBondContact O-N 3.29Å; N197-T199 VanDerWaalsContact O-N 3.16Å; T199-D201 PolarHBondContact O-N 3.42Å
200	E	72.1	Confident	78.3	Confident	50 Å²	50	43.8 Å²	43.8	23%	0.234	24%	0.24	C	C	.	.	S	Bend	trans	-73	-14.7	174.5	-70.8	-66.7	142.8	0	0	112.9	K213	E200-K213 PolarHBondContact O-NZ 3.34Å; E200-K213 WeakPolarHBondContact OE2-CE 3.15Å; E200-K213 IonicContact OE2-NZ 3.19Å; E200-K213 PolarHBondContact OE2-NZ 3.31Å
201	D	72.4	Confident	78.4	Confident	106 Å²	106	44.7 Å²	44.7	57%	0.567	25%	0.245	S	C	*	.			trans	-65.5	135.6	179	-172.1	10.5	0	0	0	111.9	T199 G203	T199-D201 PolarHBondContact O-N 3.42Å; D201-G203 PolarHBondContact OD1-N 3.43Å
202	L	77.9	Confident	78.7	Confident	11 Å²	11	42.6 Å²	42.6	6%	0.058	24%	0.237	C	C	.	.			trans	-90.3	-9.8	179.1	-61	177.1	0	0	0	112	R158 N189 F204 V206 L211	R158-L202 HydrophobicContact CG-CB 4.32Å; R158-L202 HydrophobicContact CG-CD2 4.08Å; R158-L202 PolarHBondContact NE-O 3.45Å; N189-L202 HydrophobicContact CB-CD2 4.17Å; N189-L202 VanDerWaalsContact CG-CD2 3.42Å; N189-L202 VanDerWaalsContact OD1-CD2 3.3Å; N189-L202 WeakPolarHBondContact OD1-CD2 3.46Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 HydrophobicContact CB-CD1 3.94Å; L202-F204 HydrophobicContact CB-CE1 3.7Å; L202-F204 HydrophobicContact CB-CZ 4.36Å; L202-F204 HydrophobicContact CD1-CE1 4.38Å; L202-F204 HydrophobicContact CD1-CZ 4.29Å; L202-F204 WeakPolarHBondContact O-CD1 3.38Å; L202-V206 HydrophobicContact CD1-CG1 3.7Å; L202-L211 HydrophobicContact CD1-CD1 3.86Å; L202-L211 HydrophobicContact CD1-CD2 4.25Å
203	G	74.2	Confident	79.2	Confident	50 Å²	50	42.6 Å²	42.6	52%	0.515	24%	0.237	S	C	.	.	S	Bend	trans	72.1	27	-179.1	0	0	0	0	0	113.2	D201	D201-G203 PolarHBondContact OD1-N 3.43Å
204	F	80.9	Confident	80	Confident	14 Å²	14	42.5 Å²	42.5	6%	0.061	24%	0.235	C	C	.	.	S	Bend	trans	-160.2	159.5	169.5	69	-89.8	0	0	0	110.2	T155 M169 D170 I173 I187 L202 V206	T155-F204 HydrophobicContact CG2-CZ 4.25Å; M169-F204 HydrophobicContact CB-CB 3.99Å; M169-F204 HydrophobicContact CB-CD1 4.22Å; M169-F204 HydrophobicContact CB-CG 4.13Å; M169-F204 HydrophobicContact CG-CB 4.28Å; M169-F204 HydrophobicContact CG-CD1 3.94Å; M169-F204 HydrophobicContact CG-CD2 4.23Å; M169-F204 HydrophobicContact CG-CE1 4.29Å; M169-F204 HydrophobicContact CG-CG 3.91Å; D170-F204 WeakPolarHBondContact OD1-CA 3.22Å; D170-F204 WeakPolarHBondContact OD1-CB 3.35Å; I173-F204 HydrophobicContact CD1-CD2 3.54Å; I173-F204 HydrophobicContact CD1-CE2 3.61Å; I173-F204 HydrophobicContact CD1-CG 4.4Å; I187-F204 HydrophobicContact CD1-CE2 3.88Å; I187-F204 HydrophobicContact CD1-CZ 4.18Å; I187-F204 HydrophobicContact CG2-CZ 4.36Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 HydrophobicContact CB-CD1 3.94Å; L202-F204 HydrophobicContact CB-CE1 3.7Å; L202-F204 HydrophobicContact CB-CZ 4.36Å; L202-F204 HydrophobicContact CD1-CE1 4.38Å; L202-F204 HydrophobicContact CD1-CZ 4.29Å; L202-F204 WeakPolarHBondContact O-CD1 3.38Å; F204-V206 HydrophobicContact CD2-CG1 4.34Å; F204-V206 HydrophobicContact CE2-CG1 3.75Å; F204-V206 HydrophobicContact CZ-CG1 4.16Å; F204-V206 PolarHBondContact O-N 2.97Å
205	N	79.7	Confident	80.5	Confident	99 Å²	99	41.3 Å²	41.3	53%	0.529	23%	0.228	S	C	.	.			trans	-82.6	110.2	-178.9	-169.8	-7.4	0	0	0	111.4	D170 G207	D170-N205 PolarHBondContact OD1-N 2.82Å; N205-G207 VanDerWaalsContact C-N 3.28Å; N205-G207 PolarHBondContact O-N 2.85Å; N205-G207 PolarHBondContact OD1-N 2.8Å
206	V	80.2	Confident	81.4	Confident	32 Å²	32	35.3 Å²	35.3	19%	0.194	21%	0.206	C	C	.	.			trans	-73.7	-16.6	176.1	-67.1	0	0	0	0	113.8	I187 L202 F204 Q208 A209	I187-V206 HydrophobicContact CD1-CB 4.39Å; I187-V206 HydrophobicContact CD1-CG1 4.03Å; L202-V206 HydrophobicContact CD1-CG1 3.7Å; F204-V206 HydrophobicContact CD2-CG1 4.34Å; F204-V206 HydrophobicContact CE2-CG1 3.75Å; F204-V206 HydrophobicContact CZ-CG1 4.16Å; F204-V206 PolarHBondContact O-N 2.97Å; V206-Q208 PolarHBondContact O-N 3.06Å; V206-A209 WeakPolarHBondContact O-CB 3.34Å; V206-A209 PolarHBondContact O-N 3.18Å; V206-A209 VanDerWaalsContact O-N 3.08Å
207	G	84.1	Confident	82.2	Confident	18 Å²	18	33.9 Å²	33.9	19%	0.186	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-127.4	-175.8	0	0	0	0	0	112.5	N205	N205-G207 VanDerWaalsContact C-N 3.28Å; N205-G207 PolarHBondContact O-N 2.85Å; N205-G207 PolarHBondContact OD1-N 2.8Å
208	Q	88.1	Confident	83.1	Confident	56 Å²	56	31.5 Å²	31.5	26%	0.262	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	13.2	179.9	-60.1	-170.5	-6.9	0	0	113.7	C95 D181 G182 V206 F225	C95-Q208 HydrophobicContact CB-CB 3.94Å; C95-Q208 HydrophobicContact CB-CG 4.18Å; D181-Q208 WeakPolarHBondContact O-CB 3.31Å; D181-Q208 PolarHBondContact O-N 3.44Å; G182-Q208 CarbonylContact O-C 3.42Å; V206-Q208 PolarHBondContact O-N 3.06Å; Q208-F225 WeakPolarHBondContact O-CZ 3.25Å
209	A	89.6	Confident	83.5	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.008	21%	0.208	C	C	.	.			trans	-71.4	146.7	179.8	0	0	0	0	0	112.6	W179 G182 H185 I187 V206 R222	W179-A209 HydrophobicContact CH2-CB 4.16Å; G182-A209 WeakPolarHBondContact O-CA 3.39Å; G182-A209 PolarHBondContact O-N 3.19Å; H185-A209 HydrophobicContact CB-CB 3.93Å; I187-A209 HydrophobicContact CD1-CB 3.91Å; I187-A209 HydrophobicContact CG1-CB 4.27Å; V206-A209 WeakPolarHBondContact O-CB 3.34Å; V206-A209 PolarHBondContact O-N 3.18Å; V206-A209 VanDerWaalsContact O-N 3.08Å; A209-R222 PolarHBondContact O-NH2 3.37Å
210	I	92.9	Very high	83.7	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.8	168.6	-64.5	171.5	0	0	0	108.1	M92 F96 L148 H185 L186 I187 F225 V227 I426	M92-I210 HydrophobicContact SD-CD1 4.48Å; F96-I210 HydrophobicContact CD2-CD1 4Å; F96-I210 HydrophobicContact CE2-CD1 4.13Å; L148-I210 HydrophobicContact CD1-CD1 4.49Å; H185-I210 PolarHBondContact O-N 2.88Å; L186-I210 WeakPolarHBondContact CA-O 3.48Å; L186-I210 HydrophobicContact CD1-CB 4.05Å; L186-I210 HydrophobicContact CD1-CG2 3.66Å; I187-I210 PolarHBondContact N-O 2.94Å; I210-F225 HydrophobicContact CG1-CD2 4.48Å; I210-F225 HydrophobicContact CG1-CE1 4.05Å; I210-F225 HydrophobicContact CG1-CE2 4.03Å; I210-F225 HydrophobicContact CG1-CZ 3.8Å; I210-F225 VanDerWaalsContact CG2-O 3.31Å; I210-F225 WeakPolarHBondContact CG2-O 3.22Å; I210-V227 HydrophobicContact CG2-CG2 4.45Å; I210-I426 HydrophobicContact CD1-CD1 4.41Å; I210-I426 HydrophobicContact CD1-CG2 4.21Å; I210-I426 HydrophobicContact CG2-CD1 4.26Å
211	L	92.3	Very high	84.3	Confident	19 Å²	19	35.8 Å²	35.8	10%	0.099	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113	178.5	-175.9	61.4	0	0	0	110.2	I187 N189 L202 K213 D226 V227	I187-L211 HydrophobicContact CB-CD1 4.28Å; I187-L211 HydrophobicContact CG2-CD1 4.11Å; N189-L211 HydrophobicContact CB-CD1 4.27Å; L202-L211 HydrophobicContact CD1-CD1 3.86Å; L202-L211 HydrophobicContact CD1-CD2 4.25Å; L211-K213 HydrophobicContact CD1-CB 4.09Å; L211-K213 HydrophobicContact CD2-CB 3.99Å; L211-K213 HydrophobicContact CD2-CD 3.84Å; L211-K213 HydrophobicContact CG-CB 3.66Å; L211-K213 HydrophobicContact CG-CD 4.43Å; L211-D226 WeakPolarHBondContact CB-OD1 3.46Å; L211-D226 PolarHBondContact N-OD1 3.19Å; L211-D226 WeakPolarHBondContact O-CB 3.35Å; L211-V227 PolarHBondContact O-N 3.38Å
212	A	94.9	Very high	84.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	91.6	167.2	0	0	0	0	0	109.1	L186 I187 F188 N189 V227 I229 T422	L186-A212 HydrophobicContact CD1-CB 3.84Å; I187-A212 PolarHBondContact O-N 3.39Å; F188-A212 CarbonylContact C-O 3.37Å; F188-A212 WeakPolarHBondContact CA-O 3.27Å; F188-A212 HydrophobicContact CD1-CB 3.76Å; F188-A212 HydrophobicContact CE1-CB 3.92Å; F188-A212 HydrophobicContact CG-CB 4.39Å; N189-A212 PolarHBondContact N-O 3.31Å; A212-V227 CarbonylContact C-O 3.51Å; A212-V227 VanDerWaalsContact CA-O 3.25Å; A212-V227 WeakPolarHBondContact CA-O 3.34Å; A212-V227 HydrophobicContact CB-CB 4.47Å; A212-I229 HydrophobicContact CB-CD1 4.39Å; A212-I229 HydrophobicContact CB-CG2 4.07Å; A212-I229 VanDerWaalsContact O-CD1 3.3Å; A212-I229 WeakPolarHBondContact O-CD1 3.46Å; A212-T422 HydrophobicContact CB-CG2 4.04Å
213	K	91.7	Very high	85.1	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.9	-169.7	172.6	173.8	178.7	-173.3	0	113.3	N189 S192 E200 L211 L216 V227 I229	N189-K213 HydrophobicContact CB-CB 4.32Å; N189-K213 HydrophobicContact CB-CG 4.31Å; N189-K213 CarbonylContact O-C 3.6Å; N189-K213 VanDerWaalsContact O-CA 3.26Å; N189-K213 WeakPolarHBondContact O-CA 3.34Å; S192-K213 VanDerWaalsContact CB-NZ 3.32Å; S192-K213 WeakPolarHBondContact OG-CE 3.11Å; S192-K213 PolarHBondContact OG-NZ 3.03Å; E200-K213 PolarHBondContact O-NZ 3.34Å; E200-K213 WeakPolarHBondContact OE2-CE 3.15Å; E200-K213 IonicContact OE2-NZ 3.19Å; E200-K213 PolarHBondContact OE2-NZ 3.31Å; L211-K213 HydrophobicContact CD1-CB 4.09Å; L211-K213 HydrophobicContact CD2-CB 3.99Å; L211-K213 HydrophobicContact CD2-CD 3.84Å; L211-K213 HydrophobicContact CG-CB 3.66Å; L211-K213 HydrophobicContact CG-CD 4.43Å; K213-L216 HydrophobicContact CB-CD1 3.97Å; K213-L216 HydrophobicContact CB-CD2 4.08Å; K213-L216 HydrophobicContact CB-CG 3.83Å; K213-L216 HydrophobicContact CD-CD2 3.84Å; K213-L216 HydrophobicContact CD-CG 4.19Å; K213-L216 HydrophobicContact CG-CD2 4.09Å; K213-L216 HydrophobicContact CG-CG 3.9Å; K213-L216 WeakPolarHBondContact O-CD1 3.18Å; K213-V227 PolarHBondContact N-O 3.09Å; K213-I229 VanDerWaalsContact C-CG1 3.47Å; K213-I229 PolarHBondContact O-N 2.68Å; K213-I229 VanDerWaalsContact O-N 3.14Å
214	A	91.4	Very high	85.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	150.1	168.1	0	0	0	0	0	111.4	N189 L190 L216 I229 L231	N189-A214 PolarHBondContact O-N 3.3Å; L190-A214 HydrophobicContact CD2-CB 3.86Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-L216 PolarHBondContact O-N 3.49Å; A214-I229 VanDerWaalsContact CA-O 3.27Å; A214-I229 WeakPolarHBondContact CA-O 3.48Å; A214-I229 HydrophobicContact CB-CG1 4.35Å; A214-I229 WeakPolarHBondContact CB-O 3.48Å; A214-L231 HydrophobicContact CB-CB 4.13Å; A214-L231 HydrophobicContact CB-CD1 4.2Å
215	S	87.1	Confident	86	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	32	178.9	-46.2	0	0	0	0	114.7	N217 G338	S215-N217 PolarHBondContact O-N 3.33Å; S215-G338 VanDerWaalsContact CB-N 3.29Å; S215-G338 VanDerWaalsContact OG-CA 3.24Å; S215-G338 WeakPolarHBondContact OG-CA 3.35Å; S215-G338 PolarHBondContact OG-N 3.17Å
216	L	85.7	Confident	86.6	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.021	17%	0.17	C	C	.	.			trans	-63.4	132.4	178	-84.1	161.3	0	0	0	112	K213 A214 F221 E361	K213-L216 HydrophobicContact CB-CD1 3.97Å; K213-L216 HydrophobicContact CB-CD2 4.08Å; K213-L216 HydrophobicContact CB-CG 3.83Å; K213-L216 HydrophobicContact CD-CD2 3.84Å; K213-L216 HydrophobicContact CD-CG 4.19Å; K213-L216 HydrophobicContact CG-CD2 4.09Å; K213-L216 HydrophobicContact CG-CG 3.9Å; K213-L216 WeakPolarHBondContact O-CD1 3.18Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-L216 PolarHBondContact O-N 3.49Å; L216-F221 HydrophobicContact CD1-CD2 3.85Å; L216-F221 HydrophobicContact CD1-CE2 4.23Å; L216-E361 HydrophobicContact CB-CB 4.27Å; L216-E361 PolarHBondContact O-N 2.86Å
217	N	84	Confident	87.2	Confident	27 Å²	27	28.9 Å²	28.9	14%	0.144	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-79.9	132.9	167.9	-176.7	5.6	0	0	0	110.2	S215 E219 H220 F221 L337 G359	S215-N217 PolarHBondContact O-N 3.33Å; N217-E219 PolarHBondContact ND2-OE2 3.16Å; N217-E219 PolarHBondContact O-N 2.9Å; N217-E219 VanDerWaalsContact O-N 3.1Å; N217-E219 PolarHBondContact OD1-N 3.13Å; N217-H220 PolarHBondContact O-N 2.77Å; N217-H220 VanDerWaalsContact O-N 3.09Å; N217-F221 WeakPolarHBondContact O-CB 3.42Å; N217-F221 PolarHBondContact O-N 3.4Å; N217-L337 HydrophobicContact CB-CD1 3.65Å; N217-G359 WeakPolarHBondContact CA-O 3.27Å; N217-G359 PolarHBondContact OD1-O 2.87Å
218	T	81.9	Confident	87.7	Confident	65 Å²	65	28.1 Å²	28.1	40%	0.399	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-32.4	172.8	51.4	0	0	0	0	114.2	G359 E361	T218-G359 WeakPolarHBondContact CG2-O 3.47Å; T218-G359 PolarHBondContact N-O 2.89Å; T218-G359 PolarHBondContact OG1-O 2.73Å; T218-E361 HydrophobicContact CG2-CB 4.49Å; T218-E361 WeakPolarHBondContact CG2-OE2 3.47Å
219	E	79.6	Confident	88	Confident	129 Å²	129	25.6 Å²	25.6	60%	0.603	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-33.7	-179.7	-63	177.1	151.3	0	0	113.9	R89 N217	R89-E219 PolarHBondContact NH1-O 3.48Å; R89-E219 PolarHBondContact NH2-O 2.96Å; N217-E219 PolarHBondContact ND2-OE2 3.16Å; N217-E219 PolarHBondContact O-N 2.9Å; N217-E219 VanDerWaalsContact O-N 3.1Å; N217-E219 PolarHBondContact OD1-N 3.13Å
220	H	77.9	Confident	88.2	Confident	109 Å²	109	25.5 Å²	25.5	51%	0.505	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-14.5	-177.8	-67.5	-72.9	0	0	0	113.2	N217	N217-H220 PolarHBondContact O-N 2.77Å; N217-H220 VanDerWaalsContact O-N 3.09Å
221	F	83	Confident	88.1	Confident	6 Å²	6	26.2 Å²	26.2	3%	0.026	15%	0.145	C	C	.	.			trans	-63.4	136.3	175.4	-179.9	-123.7	0	0	0	110.9	L216 N217 P223 D226 E361	L216-F221 HydrophobicContact CD1-CD2 3.85Å; L216-F221 HydrophobicContact CD1-CE2 4.23Å; N217-F221 WeakPolarHBondContact O-CB 3.42Å; N217-F221 PolarHBondContact O-N 3.4Å; F221-P223 HydrophobicContact CD1-CB 4.47Å; F221-P223 HydrophobicContact CD1-CG 4.09Å; F221-P223 HydrophobicContact CE1-CB 4.18Å; F221-P223 HydrophobicContact CE1-CG 4.29Å; F221-P223 VanDerWaalsContact O-CD 3.31Å; F221-P223 WeakPolarHBondContact O-CD 3.31Å; F221-D226 HydrophobicContact CD2-CB 3.78Å; F221-D226 HydrophobicContact CE2-CB 3.65Å; F221-E361 HydrophobicContact CD1-CG 3.84Å; F221-E361 HydrophobicContact CD2-CG 4.5Å; F221-E361 HydrophobicContact CE1-CG 3.84Å; F221-E361 HydrophobicContact CE2-CG 4.49Å; F221-E361 HydrophobicContact CG-CG 4.18Å; F221-E361 HydrophobicContact CZ-CG 4.18Å
222	R	85	Confident	88.1	Confident	34 Å²	34	25.5 Å²	25.5	13%	0.128	14%	0.14	C	C	.	.			trans	-99.1	98.6	172.1	-60.5	175.2	-71.7	-176.1	4.4	109	A209 G224 F225 D226	A209-R222 PolarHBondContact O-NH2 3.37Å; R222-G224 PolarHBondContact O-N 2.85Å; R222-F225 HydrophobicContact CB-CB 4.01Å; R222-F225 HydrophobicContact CB-CD1 4.48Å; R222-F225 VanDerWaalsContact CZ-CD1 3.49Å; R222-F225 PolarHBondContact O-N 2.86Å; R222-D226 HydrophobicContact CB-CB 4.47Å; R222-D226 VanDerWaalsContact CB-OD2 3.3Å; R222-D226 WeakPolarHBondContact CB-OD2 3.29Å; R222-D226 WeakPolarHBondContact CG-OD2 3.2Å; R222-D226 IonicContact CZ-OD1 2.87Å; R222-D226 IonicContact CZ-OD2 3.24Å; R222-D226 PolarHBondContact N-OD2 3.12Å; R222-D226 IonicContact NE-OD1 3.65Å; R222-D226 PolarHBondContact NE-OD1 2.99Å; R222-D226 IonicContact NE-OD2 2.62Å; R222-D226 PolarHBondContact NE-OD2 3.09Å; R222-D226 IonicContact NH2-OD1 3.48Å; R222-D226 PolarHBondContact NH2-OD1 2.97Å; R222-D226 IonicContact NH2-OD2 2.74Å; R222-D226 PolarHBondContact NH2-OD2 3.12Å; R222-D226 PolarHBondContact O-N 2.81Å
223	P	83.8	Confident	87.7	Confident	98 Å²	98	27.5 Å²	27.5	64%	0.636	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	134.9	-174	-22.1	34.6	0	0	0	111.7	F221 F225	F221-P223 HydrophobicContact CD1-CB 4.47Å; F221-P223 HydrophobicContact CD1-CG 4.09Å; F221-P223 HydrophobicContact CE1-CB 4.18Å; F221-P223 HydrophobicContact CE1-CG 4.29Å; F221-P223 VanDerWaalsContact O-CD 3.31Å; F221-P223 WeakPolarHBondContact O-CD 3.31Å; P223-F225 PolarHBondContact O-N 3.17Å
224	G	83.9	Confident	87.5	Confident	30 Å²	30	33.2 Å²	33.2	31%	0.309	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	1.4	-177.5	0	0	0	0	0	115.2	M92 R222 R429	M92-G224 WeakPolarHBondContact CG-O 3.47Å; R222-G224 PolarHBondContact O-N 2.85Å; G224-R429 WeakPolarHBondContact O-CD 3.36Å; G224-R429 PolarHBondContact O-NE 2.9Å
225	F	89.6	Confident	87.4	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-53.8	174.1	-170.3	-103.1	0	0	0	111.7	C90 M92 C95 F96 Q208 I210 R222 P223 R429	C90-F225 HydrophobicContact CB-CD1 4.07Å; C90-F225 HydrophobicContact CB-CE1 3.87Å; C90-F225 HydrophobicContact CB-CZ 4.15Å; M92-F225 HydrophobicContact CG-CD2 4.18Å; M92-F225 HydrophobicContact SD-CD2 3.76Å; M92-F225 HydrophobicContact SD-CE2 4.17Å; C95-F225 HydrophobicContact CB-CE2 3.93Å; C95-F225 HydrophobicContact CB-CZ 3.75Å; F96-F225 HydrophobicContact CB-CE2 4.34Å; Q208-F225 WeakPolarHBondContact O-CZ 3.25Å; I210-F225 HydrophobicContact CG1-CD2 4.48Å; I210-F225 HydrophobicContact CG1-CE1 4.05Å; I210-F225 HydrophobicContact CG1-CE2 4.03Å; I210-F225 HydrophobicContact CG1-CZ 3.8Å; I210-F225 VanDerWaalsContact CG2-O 3.31Å; I210-F225 WeakPolarHBondContact CG2-O 3.22Å; R222-F225 HydrophobicContact CB-CB 4.01Å; R222-F225 HydrophobicContact CB-CD1 4.48Å; R222-F225 VanDerWaalsContact CZ-CD1 3.49Å; R222-F225 PolarHBondContact O-N 2.86Å; P223-F225 PolarHBondContact O-N 3.17Å; F225-R429 PolarHBondContact O-NH1 2.78Å
226	D	91.3	Very high	87.5	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.016	21%	0.214	C	C	.	.	S	Bend	trans	-79.7	166.5	174.5	-70.4	-32.1	0	0	0	112.2	L211 F221 R222 R429	L211-D226 WeakPolarHBondContact CB-OD1 3.46Å; L211-D226 PolarHBondContact N-OD1 3.19Å; L211-D226 WeakPolarHBondContact O-CB 3.35Å; F221-D226 HydrophobicContact CD2-CB 3.78Å; F221-D226 HydrophobicContact CE2-CB 3.65Å; R222-D226 HydrophobicContact CB-CB 4.47Å; R222-D226 VanDerWaalsContact CB-OD2 3.3Å; R222-D226 WeakPolarHBondContact CB-OD2 3.29Å; R222-D226 WeakPolarHBondContact CG-OD2 3.2Å; R222-D226 IonicContact CZ-OD1 2.87Å; R222-D226 IonicContact CZ-OD2 3.24Å; R222-D226 PolarHBondContact N-OD2 3.12Å; R222-D226 IonicContact NE-OD1 3.65Å; R222-D226 PolarHBondContact NE-OD1 2.99Å; R222-D226 IonicContact NE-OD2 2.62Å; R222-D226 PolarHBondContact NE-OD2 3.09Å; R222-D226 IonicContact NH2-OD1 3.48Å; R222-D226 PolarHBondContact NH2-OD1 2.97Å; R222-D226 IonicContact NH2-OD2 2.74Å; R222-D226 PolarHBondContact NH2-OD2 3.12Å; R222-D226 PolarHBondContact O-N 2.81Å; D226-R429 PolarHBondContact O-NH1 3.05Å; D226-R429 PolarHBondContact O-NH2 3.36Å
227	V	94.3	Very high	87.7	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.1	177	-173.5	0	0	0	0	109.5	I210 L211 A212 K213 I229 F364 T422 I425 I426	I210-V227 HydrophobicContact CG2-CG2 4.45Å; L211-V227 PolarHBondContact O-N 3.38Å; A212-V227 CarbonylContact C-O 3.51Å; A212-V227 VanDerWaalsContact CA-O 3.25Å; A212-V227 WeakPolarHBondContact CA-O 3.34Å; A212-V227 HydrophobicContact CB-CB 4.47Å; K213-V227 PolarHBondContact N-O 3.09Å; V227-I229 HydrophobicContact CG1-CG2 4.16Å; V227-I229 PolarHBondContact O-N 2.97Å; V227-F364 HydrophobicContact CG1-CD1 3.82Å; V227-F364 HydrophobicContact CG1-CE1 3.92Å; V227-T422 HydrophobicContact CB-CG2 4.26Å; V227-T422 HydrophobicContact CG1-CG2 4.08Å; V227-T422 HydrophobicContact CG2-CG2 4.33Å; V227-I425 HydrophobicContact CG1-CD1 4.45Å; V227-I426 HydrophobicContact CG2-CD1 4.43Å; V227-I426 HydrophobicContact CG2-CG1 4.14Å
228	S	93.6	Very high	88	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.9	169.1	-174.5	0	0	0	0	110	E361 L362 P363 F364	S228-E361 PolarHBondContact OG-O 2.83Å; S228-L362 WeakPolarHBondContact CB-O 3.35Å; S228-L362 PolarHBondContact OG-O 3.23Å; S228-P363 CarbonylContact O-C 3.42Å; S228-P363 WeakPolarHBondContact O-CA 3.22Å; S228-F364 WeakPolarHBondContact O-CD1 3.39Å; S228-F364 PolarHBondContact O-N 3.05Å
229	I	94.9	Very high	88.2	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.22	C	C	.	.			trans	-117.9	154.4	178.4	62.7	169.1	0	0	0	110	F188 L190 A212 K213 A214 V227 F364	F188-I229 HydrophobicContact CD1-CD1 4.11Å; L190-I229 HydrophobicContact CD2-CD1 3.93Å; L190-I229 HydrophobicContact CD2-CG1 4.49Å; A212-I229 HydrophobicContact CB-CD1 4.39Å; A212-I229 HydrophobicContact CB-CG2 4.07Å; A212-I229 VanDerWaalsContact O-CD1 3.3Å; A212-I229 WeakPolarHBondContact O-CD1 3.46Å; K213-I229 VanDerWaalsContact C-CG1 3.47Å; K213-I229 PolarHBondContact O-N 2.68Å; K213-I229 VanDerWaalsContact O-N 3.14Å; A214-I229 VanDerWaalsContact CA-O 3.27Å; A214-I229 WeakPolarHBondContact CA-O 3.48Å; A214-I229 HydrophobicContact CB-CG1 4.35Å; A214-I229 WeakPolarHBondContact CB-O 3.48Å; V227-I229 HydrophobicContact CG1-CG2 4.16Å; V227-I229 PolarHBondContact O-N 2.97Å; I229-F364 HydrophobicContact CG2-CE1 3.9Å; I229-F364 HydrophobicContact CG2-CZ 4.33Å
230	P	93.4	Very high	87.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.			trans	-74.6	153.9	179.7	35.7	-39.5	0	0	0	111.3	F232 L343 P363 F412 I418	P230-F232 PolarHBondContact O-N 3.45Å; P230-L343 HydrophobicContact CB-CD1 3.93Å; P230-L343 HydrophobicContact CB-CD2 3.6Å; P230-L343 HydrophobicContact CB-CG 3.87Å; P230-L343 HydrophobicContact CG-CD1 4.3Å; P230-L343 HydrophobicContact CG-CD2 4.18Å; P230-P363 HydrophobicContact CB-CB 4.08Å; P230-P363 HydrophobicContact CB-CG 3.8Å; P230-F412 HydrophobicContact CB-CD1 4.27Å; P230-F412 HydrophobicContact CB-CE1 4.23Å; P230-F412 HydrophobicContact CG-CD1 3.79Å; P230-F412 HydrophobicContact CG-CE1 3.89Å; P230-I418 HydrophobicContact CG-CD1 3.7Å; P230-I418 HydrophobicContact CG-CG1 3.96Å; P230-I418 HydrophobicContact CG-CG2 4.08Å
231	L	91.6	Very high	87	Confident	16 Å²	16	31.4 Å²	31.4	8%	0.084	18%	0.179	C	C	.	.			trans	-81.4	113.7	170.8	-174.9	66.4	0	0	0	109.7	L190 Y191 A214 F340 L343	L190-L231 HydrophobicContact CB-CD1 3.94Å; L190-L231 HydrophobicContact CD2-CD1 4.41Å; Y191-L231 HydrophobicContact CD1-CD1 4.2Å; Y191-L231 HydrophobicContact CE1-CD1 3.73Å; A214-L231 HydrophobicContact CB-CB 4.13Å; A214-L231 HydrophobicContact CB-CD1 4.2Å; L231-F340 HydrophobicContact CD1-CE1 4.2Å; L231-F340 HydrophobicContact CD1-CZ 4.34Å; L231-F340 HydrophobicContact CD2-CD1 4.05Å; L231-F340 HydrophobicContact CD2-CD2 4.12Å; L231-F340 HydrophobicContact CD2-CE1 3.87Å; L231-F340 HydrophobicContact CD2-CE2 3.93Å; L231-F340 HydrophobicContact CD2-CG 4.18Å; L231-F340 HydrophobicContact CD2-CZ 3.81Å; L231-F340 HydrophobicContact CG-CD1 3.85Å; L231-F340 HydrophobicContact CG-CE1 3.55Å; L231-F340 HydrophobicContact CG-CG 4.47Å; L231-F340 HydrophobicContact CG-CZ 3.91Å; L231-L343 VanDerWaalsContact O-CD1 3.27Å; L231-L343 WeakPolarHBondContact O-CD1 3.46Å
232	F	91.4	Very high	86	Confident	3 Å²	3	36 Å²	36	1%	0.013	20%	0.201	C	C	.	.			trans	-116.7	149	177.9	60.2	-94	0	0	0	112	I129 L190 P230 H236 L343 V415 I418	I129-F232 HydrophobicContact CD1-CZ 4.03Å; I129-F232 HydrophobicContact CG1-CZ 4.15Å; L190-F232 HydrophobicContact CD1-CD1 4.35Å; L190-F232 HydrophobicContact CD1-CD2 4.33Å; L190-F232 HydrophobicContact CD1-CE1 4.02Å; L190-F232 HydrophobicContact CD1-CE2 4Å; L190-F232 HydrophobicContact CD1-CZ 3.85Å; L190-F232 HydrophobicContact CD2-CD1 4.26Å; L190-F232 HydrophobicContact CD2-CE1 3.97Å; P230-F232 PolarHBondContact O-N 3.45Å; F232-H236 HydrophobicContact CB-CB 4.04Å; F232-H236 HydrophobicContact CD2-CB 4.33Å; F232-L343 HydrophobicContact CB-CD1 3.74Å; F232-V415 HydrophobicContact CD2-CG2 4.17Å; F232-V415 HydrophobicContact CE2-CG1 4.45Å; F232-V415 HydrophobicContact CE2-CG2 3.97Å; F232-V415 HydrophobicContact CZ-CG1 4.26Å; F232-V415 HydrophobicContact CZ-CG2 4.47Å; F232-I418 HydrophobicContact CD1-CD1 3.98Å
233	S	87.7	Confident	84.8	Confident	43 Å²	43	41.1 Å²	41.1	30%	0.301	22%	0.22	S	C	.	.			trans	-83.8	166	179.6	68.2	0	0	0	0	111.5	D235 H236	S233-D235 PolarHBondContact O-N 3.05Å; S233-D235 PolarHBondContact OG-N 2.92Å; S233-H236 VanDerWaalsContact O-CB 3.24Å; S233-H236 WeakPolarHBondContact O-CB 3.37Å; S233-H236 PolarHBondContact O-N 3.3Å; S233-H236 VanDerWaalsContact O-N 3.07Å
234	K	87.3	Confident	83.5	Confident	122 Å²	122	36.7 Å²	36.7	53%	0.53	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.2	172.2	64.8	174.4	-172	169.4	0	113.2	S125 K128 H236	S125-K234 WeakPolarHBondContact OG-CA 3.32Å; K128-K234 PolarHBondContact NZ-O 2.92Å; K234-H236 VanDerWaalsContact C-N 3.27Å; K234-H236 PolarHBondContact O-N 3.03Å
235	D	88.1	Confident	82.3	Confident	123 Å²	123	41 Å²	41	66%	0.658	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.8	-177.4	-50.8	-53.5	0	0	0	112.2	S233	S233-D235 PolarHBondContact O-N 3.05Å; S233-D235 PolarHBondContact OG-N 2.92Å
236	H	90	Very high	80.8	Confident	15 Å²	15	42.1 Å²	42.1	7%	0.069	21%	0.205	C	C	.	.	S	Bend	trans	-62.5	133.4	177	-165.4	72	0	0	0	110.4	K128 F232 S233 K234 W408 F412 S414	K128-H236 PolarHBondContact NZ-O 2.89Å; F232-H236 HydrophobicContact CB-CB 4.04Å; F232-H236 HydrophobicContact CD2-CB 4.33Å; S233-H236 VanDerWaalsContact O-CB 3.24Å; S233-H236 WeakPolarHBondContact O-CB 3.37Å; S233-H236 PolarHBondContact O-N 3.3Å; S233-H236 VanDerWaalsContact O-N 3.07Å; K234-H236 VanDerWaalsContact C-N 3.27Å; K234-H236 PolarHBondContact O-N 3.03Å; H236-W408 AromaticContact CE1-CH2 3.69Å; H236-F412 PolarHBondContact CE1-O 3.26Å; H236-F412 PolarHBondContact NE2-O 3.36Å; H236-S414 WeakPolarHBondContact NE2-CA 3.36Å; H236-S414 PolarHBondContact NE2-N 3.11Å
237	P	90.4	Very high	79.1	Confident	45 Å²	45	49.5 Å²	49.5	29%	0.292	24%	0.243	S	C	.	.			trans	-67.8	145.2	-171.9	24.4	-33.5	0	0	0	112.4	S414 V415	P237-S414 WeakPolarHBondContact O-CA 3.15Å; P237-S414 WeakPolarHBondContact O-CB 3.48Å; P237-V415 PolarHBondContact O-N 2.8Å
238	Q	89.6	Confident	77.4	Confident	42 Å²	42	59.5 Å²	59.5	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	-65.9	-57.1	174.7	-178.8	69.6	31.1	0	0	111	K128 S132 S414 D416	K128-Q238 PolarHBondContact O-NE2 3.14Å; K128-Q238 PolarHBondContact O-OE1 3.11Å; S132-Q238 PolarHBondContact OG-NE2 3.4Å; Q238-S414 VanDerWaalsContact O-CB 3.23Å; Q238-S414 WeakPolarHBondContact O-CB 3.48Å; Q238-S414 PolarHBondContact O-OG 2.96Å; Q238-D416 PolarHBondContact NE2-OD1 3.44Å; Q238-D416 WeakPolarHBondContact O-CB 3.48Å; Q238-D416 VanDerWaalsContact O-CG 3.32Å; Q238-D416 PolarHBondContact O-N 3.32Å; Q238-D416 VanDerWaalsContact O-OD1 3.09Å
239	K	85.9	Confident	75.8	Confident	48 Å²	48	62.2 Å²	62.2	21%	0.209	30%	0.295	C	S	.	.	S	Bend	trans	-126.9	147.1	-176.6	-78.6	175.9	-179.5	-173.3	0	110.3	E135 G241 D416	E135-K239 WeakPolarHBondContact OE2-CE 3.26Å; E135-K239 IonicContact OE2-NZ 2.8Å; E135-K239 PolarHBondContact OE2-NZ 3.24Å; K239-G241 PolarHBondContact O-N 2.78Å; K239-D416 WeakPolarHBondContact CE-OD2 3.29Å; K239-D416 WeakPolarHBondContact CG-OD2 3.43Å
240	G	69.4	Low	74.3	Confident	14 Å²	14	65.3 Å²	65.3	14%	0.144	31%	0.314	C	S	.	.	S	Bend	trans	43.2	63.4	172.8	0	0	0	0	0	114.4	F707	G240-F707 WeakPolarHBondContact CA-O 3.25Å
241	G	63.2	Low	72.8	Confident	10 Å²	10	71.1 Å²	71.1	10%	0.103	35%	0.35	C	S	.	.			trans	-63.6	174.3	177.2	0	0	0	0	0	113.8	K239 R243 S413	K239-G241 PolarHBondContact O-N 2.78Å; G241-R243 PolarHBondContact O-N 2.76Å; G241-S413 WeakPolarHBondContact CA-O 3.31Å; G241-S413 PolarHBondContact N-O 3.25Å
242	E	61.3	Low	71.7	Confident	103 Å²	103	75.1 Å²	75.1	48%	0.481	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-49.8	126.3	-179.2	-65.1	-176.4	172.9	0	0	110.3	G244 W245 Q347 W408	E242-G244 PolarHBondContact O-N 2.87Å; E242-W245 WeakPolarHBondContact OE2-CZ2 3.27Å; E242-W245 PolarHBondContact OE2-NE1 2.58Å; E242-Q347 PolarHBondContact OE2-NE2 3.13Å; E242-W408 PolarHBondContact O-NE1 3.09Å; E242-W408 VanDerWaalsContact O-NE1 3.1Å
243	R	60.5	Low	70.8	Confident	142 Å²	142	75.4 Å²	75.4	54%	0.536	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-53.1	128.2	167.8	-74.3	-175.5	177.3	-171.5	-0.1	106.3	G241 W245 M710	G241-R243 PolarHBondContact O-N 2.76Å; R243-W245 PolarHBondContact O-N 2.75Å; R243-M710 PolarHBondContact NH2-O 3.18Å
244	G	56.6	Low	70.3	Confident	5 Å²	5	78.5 Å²	78.5	5%	0.052	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-53	144.7	178.7	0	0	0	0	0	110.3	E242 L246 Q347	E242-G244 PolarHBondContact O-N 2.87Å; G244-L246 PolarHBondContact O-N 3.2Å; G244-Q347 WeakPolarHBondContact CA-O 3.21Å
245	W	58.3	Low	70	Confident	121 Å²	121	75 Å²	75	46%	0.458	37%	0.368	S	S	.	.	S	Bend	trans	-72.9	-2.6	-162.5	-66.6	81.5	0	0	0	113.8	E242 R243 L247 Q347	E242-W245 WeakPolarHBondContact OE2-CZ2 3.27Å; E242-W245 PolarHBondContact OE2-NE1 2.58Å; R243-W245 PolarHBondContact O-N 2.75Å; W245-L247 PolarHBondContact O-N 3.38Å; W245-Q347 PolarHBondContact N-O 3.33Å
246	L	58	Low	70	Confident	23 Å²	23	76.1 Å²	76.1	12%	0.12	37%	0.367	C	S	.	.			trans	-81	77.6	175.8	-166.7	106.5	0	0	0	111.5	G244 R248 A349	G244-L246 PolarHBondContact O-N 3.2Å; L246-R248 VanDerWaalsContact C-N 3.32Å; L246-R248 PolarHBondContact O-N 3.37Å; L246-A349 HydrophobicContact CB-CB 3.78Å
247	L	55.9	Low	69.9	Low	158 Å²	158	76.5 Å²	76.5	83%	0.827	37%	0.368	S	S	*	.	S	Bend	trans	-65.3	-33.5	175.8	-78.9	134.1	0	0	0	113.2	W245	W245-L247 PolarHBondContact O-N 3.38Å
248	R	57.8	Low	70	Confident	212 Å²	212	75 Å²	75	80%	0.8	36%	0.357	S	S	*	.	S	Bend	trans	-149.9	148.4	176.9	-64.4	-173.6	-179.3	-177.6	-0.1	110.1	L246 T250	L246-R248 VanDerWaalsContact C-N 3.32Å; L246-R248 PolarHBondContact O-N 3.37Å; R248-T250 PolarHBondContact O-N 2.78Å
249	N	61.3	Low	70.1	Confident	59 Å²	59	73 Å²	73	32%	0.316	35%	0.348	S	S	.	.			trans	-63.2	109	166.1	-81.7	-11.8	0	0	0	108.9	L398 Q402	N249-L398 HydrophobicContact CB-CD2 4.25Å; N249-Q402 PolarHBondContact ND2-NE2 3.12Å
250	T	62.5	Low	70.4	Confident	67 Å²	67	71 Å²	71	41%	0.411	34%	0.34	S	S	.	.			trans	-78.7	132.3	173.6	52.6	0	0	0	0	109.8	R248 P252 P253	R248-T250 PolarHBondContact O-N 2.78Å; T250-P252 CarbonylContact O-C 3.55Å; T250-P252 VanDerWaalsContact O-C 3.3Å; T250-P253 WeakPolarHBondContact O-CA 3.49Å
251	T	63	Low	71.4	Confident	123 Å²	123	70.5 Å²	70.5	76%	0.755	33%	0.333	S	S	*	.	S	Bend	trans	-109.5	122.5	171.1	49.6	0	0	0	0	108.6
252	P	67.8	Low	72.7	Confident	100 Å²	100	70.7 Å²	70.7	65%	0.649	33%	0.331	S	S	*	.	S	Bend	cis	-74.2	152.9	5.2	30.8	-34.9	0	0	0	113.5	T250 R254	T250-P252 CarbonylContact O-C 3.55Å; T250-P252 VanDerWaalsContact O-C 3.3Å; P252-R254 VanDerWaalsContact C-N 3.34Å; P252-R254 PolarHBondContact O-N 2.91Å
253	P	72.6	Confident	74	Confident	9 Å²	9	66 Å²	66	6%	0.058	31%	0.311	C	S	.	.			trans	-71.7	-26.2	-178.3	25.6	-31.6	0	0	0	113.3	T250 N394 V397 L398 R401	T250-P253 WeakPolarHBondContact O-CA 3.49Å; P253-N394 HydrophobicContact CG-CB 3.7Å; P253-V397 HydrophobicContact CB-CG1 4.19Å; P253-L398 HydrophobicContact CB-CD2 3.81Å; P253-L398 HydrophobicContact CB-CG 3.95Å; P253-L398 HydrophobicContact CG-CG 4.34Å; P253-R401 PolarHBondContact O-NH1 2.89Å; P253-R401 PolarHBondContact O-NH2 3.2Å
254	R	76.6	Confident	75.2	Confident	108 Å²	108	63.9 Å²	63.9	41%	0.408	31%	0.305	S	S	.	.			trans	-75.4	129.4	179.3	-66.8	-176.9	179.6	-167.4	-9.3	109.8	P252 R390 V392 N394	P252-R254 VanDerWaalsContact C-N 3.34Å; P252-R254 PolarHBondContact O-N 2.91Å; R254-R390 PolarHBondContact NH2-O 3.24Å; R254-R390 VanDerWaalsContact NH2-O 3.16Å; R254-V392 PolarHBondContact NH2-O 2.74Å; R254-N394 PolarHBondContact NE-OD1 3.49Å
255	R	81.9	Confident	76.6	Confident	49 Å²	49	63.9 Å²	63.9	19%	0.185	30%	0.304	C	S	.	.			trans	-92.5	180	176.1	-59	-165.2	179.6	-150.2	-2.7	110.6	Y257 H324 N325 T327 A350	R255-Y257 VanDerWaalsContact C-N 3.28Å; R255-Y257 PolarHBondContact O-N 3.37Å; R255-H324 WeakPolarHBondContact CD-O 3.5Å; R255-H324 PolarHBondContact NH1-CD2 3.15Å; R255-H324 PolarHBondContact NH1-CE1 3.09Å; R255-H324 PolarHBondContact NH1-NE2 2.89Å; R255-H324 PolarHBondContact NH1-O 3.44Å; R255-N325 WeakPolarHBondContact CB-O 3.36Å; R255-T327 PolarHBondContact N-OG1 2.96Å; R255-A350 VanDerWaalsContact NH2-CB 3.28Å
256	K	86.8	Confident	77.6	Confident	146 Å²	146	59.3 Å²	59.3	64%	0.635	29%	0.287	S	S	*	.	S	Bend	trans	-52.1	-46.6	-178.6	-179.9	-179.6	177.5	-175.3	0	112	N325	K256-N325 HydrophobicContact CB-CB 4.42Å; K256-N325 PolarHBondContact N-O 2.82Å
257	Y	89.5	Confident	78.3	Confident	22 Å²	22	60.2 Å²	60.2	9%	0.086	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.9	176	-53	-64.8	0	0	0	110	R255 K285 V288 L322 N325 S326 T327	R255-Y257 VanDerWaalsContact C-N 3.28Å; R255-Y257 PolarHBondContact O-N 3.37Å; Y257-K285 WeakPolarHBondContact CD1-O 3.14Å; Y257-V288 HydrophobicContact CD1-CG2 3.51Å; Y257-V288 HydrophobicContact CE1-CG2 3.64Å; Y257-V288 HydrophobicContact CG-CG2 4.22Å; Y257-L322 HydrophobicContact CD2-CD1 3.91Å; Y257-L322 HydrophobicContact CE2-CD1 3.75Å; Y257-N325 HydrophobicContact CD2-CB 3.91Å; Y257-N325 HydrophobicContact CE2-CB 4.09Å; Y257-N325 PolarHBondContact N-O 3.14Å; Y257-S326 CarbonylContact O-C 3.5Å; Y257-S326 WeakPolarHBondContact O-CA 3.33Å; Y257-T327 PolarHBondContact O-N 3.47Å; Y257-T327 PolarHBondContact O-OG1 3.25Å
258	L	91.1	Very high	79	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-52.7	175.5	-178.3	65.5	0	0	0	110.1	D286 T327 F328 V389 R390	L258-D286 HydrophobicContact CB-CB 4.21Å; L258-D286 PolarHBondContact N-O 3.47Å; L258-T327 WeakPolarHBondContact O-CB 3.39Å; L258-F328 HydrophobicContact CD1-CD2 3.89Å; L258-F328 HydrophobicContact CD1-CE2 3.92Å; L258-F328 HydrophobicContact CG-CD2 4.32Å; L258-F328 WeakPolarHBondContact O-CB 3.2Å; L258-F328 WeakPolarHBondContact O-CD2 3.45Å; L258-F328 PolarHBondContact O-N 2.93Å; L258-V389 HydrophobicContact CD2-CG2 3.94Å; L258-V389 HydrophobicContact CG-CG2 4.2Å; L258-R390 HydrophobicContact CD2-CB 4.37Å; L258-R390 HydrophobicContact CD2-CG 3.29Å
259	L	92.1	Very high	79.5	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.1	-176.2	178.2	65.4	0	0	0	109.5	I281 D286 I287 V288 F328 L330 V354 V385 V389	L259-I281 HydrophobicContact CD2-CD1 4.41Å; L259-D286 PolarHBondContact N-O 3.31Å; L259-I287 HydrophobicContact CB-CG1 4.29Å; L259-I287 HydrophobicContact CB-CG2 4.21Å; L259-I287 HydrophobicContact CD2-CG2 4.19Å; L259-I287 HydrophobicContact CG-CG2 4.39Å; L259-I287 WeakPolarHBondContact O-CA 3.48Å; L259-V288 PolarHBondContact O-N 2.86Å; L259-F328 WeakPolarHBondContact CA-O 3.28Å; L259-F328 HydrophobicContact CD1-CB 3.73Å; L259-L330 HydrophobicContact CD1-CB 4.38Å; L259-L330 HydrophobicContact CD1-CD1 4.09Å; L259-L330 HydrophobicContact CD2-CD1 4.14Å; L259-L330 HydrophobicContact CG-CD1 4.5Å; L259-V354 HydrophobicContact CD1-CG2 4.23Å; L259-V385 HydrophobicContact CD2-CG1 3.94Å; L259-V389 HydrophobicContact CB-CG2 4.45Å; L259-V389 HydrophobicContact CD2-CG2 4.43Å
260	M	91.7	Very high	79.7	Confident	6 Å²	6	48 Å²	48	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.6	174.6	83.9	76.9	156.6	0	0	113.9	V288 Y319 L322 L323 S326 F328 L330	M260-V288 CarbonylContact C-O 3.52Å; M260-V288 WeakPolarHBondContact CA-O 3.29Å; M260-Y319 HydrophobicContact CE-CE2 3.97Å; M260-L322 HydrophobicContact CB-CD2 4Å; M260-L322 HydrophobicContact CB-CG 4.09Å; M260-L322 HydrophobicContact CE-CD2 4.43Å; M260-L322 HydrophobicContact CG-CD2 4.13Å; M260-L322 HydrophobicContact CG-CG 4.13Å; M260-L322 HydrophobicContact SD-CD2 3.83Å; M260-L322 HydrophobicContact SD-CG 4.35Å; M260-L323 VanDerWaalsContact CE-CA 3.4Å; M260-L323 HydrophobicContact CE-CB 3.5Å; M260-L323 VanDerWaalsContact CE-CB 3.5Å; M260-L323 HydrophobicContact CE-CD1 3.34Å; M260-L323 HydrophobicContact CE-CG 3.95Å; M260-S326 WeakPolarHBondContact CB-OG 3.27Å; M260-S326 WeakPolarHBondContact CG-OG 3.13Å; M260-F328 PolarHBondContact N-O 3.45Å; M260-L330 PolarHBondContact O-N 3.32Å
261	F	91.9	Very high	80	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.9	161	179.8	-108.5	0	0	0	108.9	L278 V288 S289 L290 T291 L330 P332	F261-L278 HydrophobicContact CD1-CD1 3.36Å; F261-L278 HydrophobicContact CD2-CD1 4.46Å; F261-L278 HydrophobicContact CE1-CD1 3.38Å; F261-L278 HydrophobicContact CE2-CD1 4.5Å; F261-L278 HydrophobicContact CG-CD1 3.92Å; F261-L278 HydrophobicContact CZ-CD1 3.98Å; F261-V288 PolarHBondContact N-O 3.14Å; F261-S289 CarbonylContact O-C 3.52Å; F261-S289 WeakPolarHBondContact O-CA 3.34Å; F261-L290 PolarHBondContact O-N 3.38Å; F261-T291 HydrophobicContact CD1-CG2 4.19Å; F261-T291 HydrophobicContact CE1-CG2 3.97Å; F261-L330 HydrophobicContact CB-CB 3.92Å; F261-L330 HydrophobicContact CB-CD2 4.27Å; F261-L330 HydrophobicContact CD2-CB 4.23Å; F261-L330 HydrophobicContact CG-CB 4.44Å; F261-L330 HydrophobicContact CG-CD2 4.42Å; F261-P332 HydrophobicContact CD2-CG 3.79Å; F261-P332 HydrophobicContact CE1-CG 4.49Å; F261-P332 VanDerWaalsContact CE2-CD 3.41Å; F261-P332 HydrophobicContact CE2-CG 3.27Å; F261-P332 HydrophobicContact CZ-CG 3.67Å
262	K	89.9	Confident	80.5	Confident	15 Å²	15	40 Å²	40	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	121.3	164.8	-175.4	174.7	-177.5	-175.1	0	108.1	L290 Y314 F317 Y319 L322 R341	K262-L290 VanDerWaalsContact CA-O 3.27Å; K262-L290 WeakPolarHBondContact CA-O 3.13Å; K262-L290 HydrophobicContact CB-CB 4.48Å; K262-L290 HydrophobicContact CG-CB 4.23Å; K262-Y314 HydrophobicContact CD-CD2 4.49Å; K262-Y314 HydrophobicContact CD-CE2 4.11Å; K262-Y314 VanDerWaalsContact CE-CE2 3.49Å; K262-Y314 VanDerWaalsContact CE-O 3.25Å; K262-Y314 WeakPolarHBondContact CE-O 3.14Å; K262-Y314 HydrophobicContact CG-CD2 3.9Å; K262-Y314 HydrophobicContact CG-CE2 3.36Å; K262-Y314 PolarHBondContact NZ-O 3.02Å; K262-F317 PolarHBondContact NZ-O 2.98Å; K262-Y319 HydrophobicContact CB-CD2 3.85Å; K262-Y319 HydrophobicContact CB-CE2 4.17Å; K262-Y319 HydrophobicContact CD-CD2 3.98Å; K262-Y319 HydrophobicContact CG-CD2 4.2Å; K262-L322 HydrophobicContact CB-CD2 4.02Å; K262-R341 PolarHBondContact O-NH1 3.27Å
263	G	88.6	Confident	81	Confident	5 Å²	5	41.4 Å²	41.4	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	-173.5	-178.5	0	0	0	0	0	115.2	L290 T291 T292 Y314	G263-L290 PolarHBondContact N-O 3.28Å; G263-T291 CarbonylContact O-C 3.5Å; G263-T291 WeakPolarHBondContact O-CA 3.32Å; G263-T292 PolarHBondContact O-N 2.88Å; G263-Y314 WeakPolarHBondContact O-CE2 3.26Å
264	K	86	Confident	81.5	Confident	97 Å²	97	42 Å²	42	42%	0.422	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	136.9	-179.7	-54.5	-170.4	-178.1	-177.4	0	111.1	R275 T292 H295	K264-R275 WeakPolarHBondContact O-CD 3.33Å; K264-R275 PolarHBondContact O-NH1 2.88Å; K264-T292 CarbonylContact C-O 3.46Å; K264-T292 WeakPolarHBondContact CA-O 3.12Å; K264-T292 HydrophobicContact CB-CG2 4.42Å; K264-T292 HydrophobicContact CG-CG2 3.98Å; K264-H295 HydrophobicContact CD-CB 4.48Å
265	R	84.8	Confident	81.9	Confident	5 Å²	5	37.5 Å²	37.5	2%	0.019	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-96.1	122.6	169.3	178.4	167.6	70.7	100.7	-0.5	108.7	N276 T292 D304 D310	R265-N276 PolarHBondContact NH1-OD1 2.69Å; R265-T292 PolarHBondContact N-O 3.31Å; R265-D304 IonicContact CZ-OD1 3.24Å; R265-D304 IonicContact CZ-OD2 3.01Å; R265-D304 VanDerWaalsContact CZ-OD2 3.27Å; R265-D304 IonicContact NH1-OD1 2.72Å; R265-D304 IonicContact NH1-OD2 3.98Å; R265-D304 PolarHBondContact NH1-OD2 2.82Å; R265-D304 VanDerWaalsContact NH2-CG 3.3Å; R265-D304 IonicContact NH2-OD1 3.69Å; R265-D304 PolarHBondContact NH2-OD1 3.5Å; R265-D304 IonicContact NH2-OD2 3.55Å; R265-D304 PolarHBondContact NH2-OD2 3.25Å; R265-D310 IonicContact CZ-OD2 3Å; R265-D310 VanDerWaalsContact CZ-OD2 3.29Å; R265-D310 IonicContact NE-OD2 2.86Å; R265-D310 PolarHBondContact NE-OD2 2.97Å; R265-D310 IonicContact NH2-OD2 3.19Å; R265-D310 PolarHBondContact NH2-OD2 3.22Å
266	Y	79.1	Confident	82	Confident	25 Å²	25	37.8 Å²	37.8	10%	0.098	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-79.3	131.8	174	-49.7	-58.4	0	0	0	107.8	S272 R275 H295 R335	Y266-S272 WeakPolarHBondContact O-CB 3.09Å; Y266-S272 PolarHBondContact O-OG 3.47Å; Y266-R275 PolarHBondContact OH-NH1 3.08Å; Y266-H295 AromaticContact CE1-CD2 3.88Å; Y266-H295 AromaticContact CE1-NE2 3.89Å; Y266-R335 HydrophobicContact CD1-CG 4.13Å; Y266-R335 HydrophobicContact CD2-CG 4.11Å; Y266-R335 HydrophobicContact CE1-CG 3.86Å; Y266-R335 HydrophobicContact CE2-CG 3.86Å; Y266-R335 HydrophobicContact CG-CG 4.25Å
267	L	74	Confident	82.1	Confident	41 Å²	41	32.2 Å²	32.2	22%	0.215	18%	0.183	C	C	.	.	S	Bend	trans	-86.1	-20.8	178.7	-59.8	170.7	0	0	0	111.4	C293 H302	L267-C293 HydrophobicContact CD1-CB 4.16Å; L267-C293 HydrophobicContact CD2-CB 4.12Å; L267-C293 HydrophobicContact CG-CB 4.39Å; L267-H302 HydrophobicContact CB-CB 4.14Å; L267-H302 HydrophobicContact CD1-CB 4.05Å; L267-H302 WeakPolarHBondContact CD1-O 3.2Å
268	T	69.4	Low	82	Confident	60 Å²	60	31.1 Å²	31.1	37%	0.368	18%	0.179	S	C	.	.	S	Bend	trans	-144.3	153.3	179	58.1	0	0	0	0	110.4
269	G	68.9	Low	81.8	Confident	45 Å²	45	33.5 Å²	33.5	46%	0.464	19%	0.19	S	C	.	.	S	Bend	trans	86.6	-175.9	174.6	0	0	0	0	0	115.2	S272	G269-S272 WeakPolarHBondContact O-CB 3.27Å; G269-S272 PolarHBondContact O-N 3.14Å
270	I	66.3	Low	81.7	Confident	67 Å²	67	39.3 Å²	39.3	34%	0.344	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	137.1	-173.4	-59	169.1	0	0	0	111.1	S272	I270-S272 VanDerWaalsContact C-N 3.27Å; I270-S272 PolarHBondContact O-N 3.41Å
271	G	67.7	Low	81.6	Confident	10 Å²	10	39.7 Å²	39.7	10%	0.103	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	-0.7	-177.6	0	0	0	0	0	114.5	R275	G271-R275 WeakPolarHBondContact O-CG 3.47Å; G271-R275 PolarHBondContact O-N 3.5Å
272	S	73.3	Confident	81.6	Confident	14 Å²	14	42.1 Å²	42.1	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-49.9	173.2	176.8	0	0	0	0	111.5	Y266 G269 I270 R275 N276	Y266-S272 WeakPolarHBondContact O-CB 3.09Å; Y266-S272 PolarHBondContact O-OG 3.47Å; G269-S272 WeakPolarHBondContact O-CB 3.27Å; G269-S272 PolarHBondContact O-N 3.14Å; I270-S272 VanDerWaalsContact C-N 3.27Å; I270-S272 PolarHBondContact O-N 3.41Å; S272-R275 PolarHBondContact O-N 2.93Å; S272-N276 WeakPolarHBondContact O-CB 3.4Å; S272-N276 PolarHBondContact O-N 3.48Å
273	D	79.6	Confident	81.6	Confident	128 Å²	128	44.5 Å²	44.5	68%	0.684	24%	0.243	S	C	*	.	H	α-helix	trans	-64.1	-49.2	-172.2	-57.9	-32.3	0	0	0	112.6	R275 N276 A277	D273-R275 VanDerWaalsContact C-N 3.31Å; D273-R275 PolarHBondContact O-N 3.08Å; D273-N276 PolarHBondContact O-N 3.35Å; D273-A277 WeakPolarHBondContact O-CB 3.47Å; D273-A277 PolarHBondContact O-N 3.11Å
274	T	82	Confident	81.4	Confident	22 Å²	22	46.8 Å²	46.8	14%	0.135	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-43.1	178	-48.3	0	0	0	0	111	A277 L278 P332 E379	T274-A277 PolarHBondContact O-N 2.89Å; T274-L278 WeakPolarHBondContact O-CG 3.18Å; T274-P332 HydrophobicContact CG2-CB 4.49Å; T274-E379 HydrophobicContact CG2-CG 4.35Å; T274-E379 PolarHBondContact OG1-OE2 3.16Å
275	R	85.1	Confident	81.4	Confident	13 Å²	13	50 Å²	50	5%	0.049	28%	0.281	C	S	.	.	H	α-helix	trans	-74.3	-32.6	178.5	-69.4	-164.8	-179	-159.8	-4.7	113.2	K264 Y266 G271 S272 D273 A277 L278 R333	K264-R275 WeakPolarHBondContact O-CD 3.33Å; K264-R275 PolarHBondContact O-NH1 2.88Å; Y266-R275 PolarHBondContact OH-NH1 3.08Å; G271-R275 WeakPolarHBondContact O-CG 3.47Å; G271-R275 PolarHBondContact O-N 3.5Å; S272-R275 PolarHBondContact O-N 2.93Å; D273-R275 VanDerWaalsContact C-N 3.31Å; D273-R275 PolarHBondContact O-N 3.08Å; R275-A277 VanDerWaalsContact C-N 3.32Å; R275-L278 HydrophobicContact CB-CD1 4.44Å; R275-L278 HydrophobicContact CG-CD1 4.42Å; R275-L278 WeakPolarHBondContact O-CG 3.32Å; R275-L278 PolarHBondContact O-N 2.95Å; R275-R333 PolarHBondContact NE-O 3.46Å; R275-R333 PolarHBondContact NH2-O 2.83Å
276	N	85.4	Confident	81.6	Confident	56 Å²	56	51.9 Å²	51.9	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-39.9	174.6	-170	41.7	0	0	0	110.4	R265 S272 D273 L278 H279 R306	R265-N276 PolarHBondContact NH1-OD1 2.69Å; S272-N276 WeakPolarHBondContact O-CB 3.4Å; S272-N276 PolarHBondContact O-N 3.48Å; D273-N276 PolarHBondContact O-N 3.35Å; N276-L278 PolarHBondContact O-N 2.94Å; N276-H279 PolarHBondContact O-CE1 2.72Å; N276-H279 PolarHBondContact O-ND1 2.74Å; N276-R306 PolarHBondContact OD1-NH1 3.42Å; N276-R306 PolarHBondContact OD1-NH2 3.44Å
277	A	87.1	Confident	82.2	Confident	28 Å²	28	50.8 Å²	50.8	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-70.5	-14.2	-179.6	0	0	0	0	0	114.4	D273 T274 R275 H279 H280 L382	D273-A277 WeakPolarHBondContact O-CB 3.47Å; D273-A277 PolarHBondContact O-N 3.11Å; T274-A277 PolarHBondContact O-N 2.89Å; R275-A277 VanDerWaalsContact C-N 3.32Å; A277-H279 PolarHBondContact O-N 3.16Å; A277-H279 VanDerWaalsContact O-N 3.17Å; A277-H280 WeakPolarHBondContact O-CB 3.29Å; A277-H280 PolarHBondContact O-CD2 3.15Å; A277-H280 PolarHBondContact O-N 3.19Å; A277-L382 HydrophobicContact CB-CD2 3.47Å; A277-L382 VanDerWaalsContact CB-CD2 3.47Å
278	L	88.4	Confident	83.1	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.9	-23.4	-178.6	-59.3	179.4	0	0	0	114.1	F261 T274 R275 N276 H280 I281 S289 L330 P332 L382	F261-L278 HydrophobicContact CD1-CD1 3.36Å; F261-L278 HydrophobicContact CD2-CD1 4.46Å; F261-L278 HydrophobicContact CE1-CD1 3.38Å; F261-L278 HydrophobicContact CE2-CD1 4.5Å; F261-L278 HydrophobicContact CG-CD1 3.92Å; F261-L278 HydrophobicContact CZ-CD1 3.98Å; T274-L278 WeakPolarHBondContact O-CG 3.18Å; R275-L278 HydrophobicContact CB-CD1 4.44Å; R275-L278 HydrophobicContact CG-CD1 4.42Å; R275-L278 WeakPolarHBondContact O-CG 3.32Å; R275-L278 PolarHBondContact O-N 2.95Å; N276-L278 PolarHBondContact O-N 2.94Å; L278-H280 PolarHBondContact O-N 3.07Å; L278-I281 HydrophobicContact CD2-CD1 4.4Å; L278-I281 WeakPolarHBondContact O-CG1 3.49Å; L278-I281 PolarHBondContact O-N 2.81Å; L278-S289 VanDerWaalsContact CB-OG 3.3Å; L278-S289 WeakPolarHBondContact CB-OG 3.49Å; L278-S289 PolarHBondContact O-OG 3.12Å; L278-L330 HydrophobicContact CD1-CD2 4.04Å; L278-L330 HydrophobicContact CD2-CD2 3.27Å; L278-L330 HydrophobicContact CG-CD2 4.27Å; L278-P332 HydrophobicContact CD1-CB 4.47Å; L278-P332 HydrophobicContact CD1-CG 4.04Å; L278-L382 HydrophobicContact CD2-CD1 3.63Å; L278-L382 HydrophobicContact CD2-CD2 3.93Å; L278-L382 HydrophobicContact CD2-CG 4.43Å
279	H	86.8	Confident	84.1	Confident	63 Å²	63	46.5 Å²	46.5	29%	0.292	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.3	-27.2	175.6	78.3	-73.7	0	0	0	112.4	N276 A277 I281 H282 R306	N276-H279 PolarHBondContact O-CE1 2.72Å; N276-H279 PolarHBondContact O-ND1 2.74Å; A277-H279 PolarHBondContact O-N 3.16Å; A277-H279 VanDerWaalsContact O-N 3.17Å; H279-I281 VanDerWaalsContact C-N 3.27Å; H279-I281 PolarHBondContact O-N 3.34Å; H279-H282 WeakPolarHBondContact O-CB 3.13Å; H279-H282 PolarHBondContact O-N 2.8Å; H279-R306 PolarHBondContact CE1-NH1 3.08Å; H279-R306 PolarHBondContact ND1-NH1 3.45Å; H279-R306 VanDerWaalsContact ND1-NH1 3.12Å; H279-R306 PolarHBondContact NE2-NH1 3.14Å
280	H	89.5	Confident	85.1	Confident	123 Å²	123	44.5 Å²	44.5	57%	0.569	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-69.2	-23.8	179.8	-65.9	-59.3	0	0	0	113.7	A277 L278 L383	A277-H280 WeakPolarHBondContact O-CB 3.29Å; A277-H280 PolarHBondContact O-CD2 3.15Å; A277-H280 PolarHBondContact O-N 3.19Å; L278-H280 PolarHBondContact O-N 3.07Å; H280-L383 HydrophobicContact CB-CD2 3.78Å
281	I	90.9	Very high	86.2	Confident	15 Å²	15	41.6 Å²	41.6	8%	0.077	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-92.3	-8.1	176.5	62	164.2	0	0	0	112.3	L259 L278 H279 I287 L382 L383 P386	L259-I281 HydrophobicContact CD2-CD1 4.41Å; L278-I281 HydrophobicContact CD2-CD1 4.4Å; L278-I281 WeakPolarHBondContact O-CG1 3.49Å; L278-I281 PolarHBondContact O-N 2.81Å; H279-I281 VanDerWaalsContact C-N 3.27Å; H279-I281 PolarHBondContact O-N 3.34Å; I281-I287 WeakPolarHBondContact O-CG2 3.49Å; I281-L382 HydrophobicContact CD1-CD1 4.13Å; I281-L382 HydrophobicContact CG2-CG 4.4Å; I281-L383 HydrophobicContact CG2-CD2 4.08Å; I281-P386 HydrophobicContact CB-CG 4.06Å; I281-P386 HydrophobicContact CG2-CG 3.95Å
282	H	90.7	Very high	87.1	Confident	53 Å²	53	41.7 Å²	41.7	25%	0.245	23%	0.225	C	C	.	.			trans	-73.7	129.6	178.2	-175.6	46.3	0	0	0	110.8	H279 G284 I287 V288 S289 E313	H279-H282 WeakPolarHBondContact O-CB 3.13Å; H279-H282 PolarHBondContact O-N 2.8Å; H282-G284 PolarHBondContact CE1-N 3.15Å; H282-G284 VanDerWaalsContact CE1-N 3.33Å; H282-I287 PolarHBondContact ND1-O 3.24Å; H282-V288 WeakPolarHBondContact ND1-CA 3.48Å; H282-S289 PolarHBondContact ND1-N 3.38Å; H282-S289 VanDerWaalsContact ND1-N 3.14Å; H282-E313 IonicContact NE2-OE2 2.77Å
283	N	89.9	Confident	87.7	Confident	64 Å²	64	41 Å²	41	34%	0.342	22%	0.221	S	C	.	.			trans	-127.6	5	178.4	70.9	8	0	0	0	114.2	K285 D286 I287	N283-K285 PolarHBondContact O-N 2.92Å; N283-K285 PolarHBondContact OD1-N 2.76Å; N283-D286 PolarHBondContact ND2-OD1 3.47Å; N283-D286 PolarHBondContact OD1-N 2.79Å; N283-D286 PolarHBondContact OD1-OD1 2.89Å; N283-I287 PolarHBondContact N-O 3.04Å; N283-I287 VanDerWaalsContact N-O 3.12Å; N283-I287 PolarHBondContact OD1-N 3.34Å; N283-I287 PolarHBondContact OD1-O 3.21Å
284	G	84	Confident	87.8	Confident	53 Å²	53	40.6 Å²	40.6	55%	0.546	21%	0.21	S	C	.	.	S	Bend	trans	63.8	2.2	-179.4	0	0	0	0	0	115.9	H282	H282-G284 PolarHBondContact CE1-N 3.15Å; H282-G284 VanDerWaalsContact CE1-N 3.33Å
285	K	87.3	Confident	87.5	Confident	165 Å²	165	41.8 Å²	41.8	72%	0.717	21%	0.213	S	C	*	.	S	Bend	trans	-113.5	-91.7	-174.8	-65.3	179.7	-175.1	-179.5	0	110.6	Y257 N283	Y257-K285 WeakPolarHBondContact CD1-O 3.14Å; N283-K285 PolarHBondContact O-N 2.92Å; N283-K285 PolarHBondContact OD1-N 2.76Å
286	D	88.9	Confident	86.8	Confident	44 Å²	44	43.7 Å²	43.7	24%	0.235	24%	0.238	C	C	.	.	S	Bend	trans	-93.3	-17.5	179.8	64.4	-36.4	0	0	0	113	L258 L259 N283 R390	L258-D286 HydrophobicContact CB-CB 4.21Å; L258-D286 PolarHBondContact N-O 3.47Å; L259-D286 PolarHBondContact N-O 3.31Å; N283-D286 PolarHBondContact ND2-OD1 3.47Å; N283-D286 PolarHBondContact OD1-N 2.79Å; N283-D286 PolarHBondContact OD1-OD1 2.89Å; D286-R390 IonicContact OD1-NH2 3.28Å; D286-R390 PolarHBondContact OD1-NH2 3.01Å; D286-R390 IonicContact OD2-CZ 3.96Å; D286-R390 IonicContact OD2-NE 2.91Å; D286-R390 PolarHBondContact OD2-NE 2.67Å; D286-R390 IonicContact OD2-NH2 2.9Å; D286-R390 PolarHBondContact OD2-NH2 2.96Å
287	I	91.9	Very high	86	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	110.1	178.4	-54.4	-178.5	0	0	0	110.3	L259 I281 H282 N283 P386	L259-I287 HydrophobicContact CB-CG1 4.29Å; L259-I287 HydrophobicContact CB-CG2 4.21Å; L259-I287 HydrophobicContact CD2-CG2 4.19Å; L259-I287 HydrophobicContact CG-CG2 4.39Å; L259-I287 WeakPolarHBondContact O-CA 3.48Å; I281-I287 WeakPolarHBondContact O-CG2 3.49Å; H282-I287 PolarHBondContact ND1-O 3.24Å; N283-I287 PolarHBondContact N-O 3.04Å; N283-I287 VanDerWaalsContact N-O 3.12Å; N283-I287 PolarHBondContact OD1-N 3.34Å; N283-I287 PolarHBondContact OD1-O 3.21Å; I287-P386 HydrophobicContact CD1-CB 3.52Å; I287-P386 HydrophobicContact CD1-CG 3.83Å
288	V	91.4	Very high	85.3	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.6	-174.8	179.9	0	0	0	0	109.6	Y257 L259 M260 F261 H282 L290 L322	Y257-V288 HydrophobicContact CD1-CG2 3.51Å; Y257-V288 HydrophobicContact CE1-CG2 3.64Å; Y257-V288 HydrophobicContact CG-CG2 4.22Å; L259-V288 PolarHBondContact O-N 2.86Å; M260-V288 CarbonylContact C-O 3.52Å; M260-V288 WeakPolarHBondContact CA-O 3.29Å; F261-V288 PolarHBondContact N-O 3.14Å; H282-V288 WeakPolarHBondContact ND1-CA 3.48Å; V288-L290 HydrophobicContact CG1-CD1 3.79Å; V288-L290 HydrophobicContact CG1-CD2 4.22Å; V288-L290 HydrophobicContact CG1-CG 3.7Å; V288-L322 HydrophobicContact CB-CD1 4.18Å; V288-L322 HydrophobicContact CG1-CD1 3.82Å; V288-L322 HydrophobicContact CG1-CD2 4.27Å
289	S	91.4	Very high	84.7	Confident	8 Å²	8	55.6 Å²	55.6	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	100.9	176.5	173.3	0	0	0	0	109.5	F261 L278 H282	F261-S289 CarbonylContact O-C 3.52Å; F261-S289 WeakPolarHBondContact O-CA 3.34Å; L278-S289 VanDerWaalsContact CB-OG 3.3Å; L278-S289 WeakPolarHBondContact CB-OG 3.49Å; L278-S289 PolarHBondContact O-OG 3.12Å; H282-S289 PolarHBondContact ND1-N 3.38Å; H282-S289 VanDerWaalsContact ND1-N 3.14Å
290	L	90.1	Very high	84.4	Confident	3 Å²	3	59 Å²	59	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.8	-175.7	-58.5	172	0	0	0	109.6	F261 K262 G263 V288 E313 Y314 F317 L322	F261-L290 PolarHBondContact O-N 3.38Å; K262-L290 VanDerWaalsContact CA-O 3.27Å; K262-L290 WeakPolarHBondContact CA-O 3.13Å; K262-L290 HydrophobicContact CB-CB 4.48Å; K262-L290 HydrophobicContact CG-CB 4.23Å; G263-L290 PolarHBondContact N-O 3.28Å; V288-L290 HydrophobicContact CG1-CD1 3.79Å; V288-L290 HydrophobicContact CG1-CD2 4.22Å; V288-L290 HydrophobicContact CG1-CG 3.7Å; L290-E313 HydrophobicContact CD2-CB 4.06Å; L290-Y314 HydrophobicContact CB-CD2 4.27Å; L290-F317 HydrophobicContact CD1-CB 3.7Å; L290-F317 HydrophobicContact CD1-CD2 3.43Å; L290-F317 VanDerWaalsContact CD1-CD2 3.43Å; L290-F317 HydrophobicContact CD1-CE2 4.22Å; L290-F317 HydrophobicContact CD1-CG 3.69Å; L290-F317 HydrophobicContact CD2-CD2 4.31Å; L290-F317 HydrophobicContact CD2-CE2 4.45Å; L290-L322 HydrophobicContact CD1-CD2 4.42Å
291	T	89.5	Confident	84	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.043	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.3	179.2	75.5	0	0	0	0	112.2	F261 G263 D310	F261-T291 HydrophobicContact CD1-CG2 4.19Å; F261-T291 HydrophobicContact CE1-CG2 3.97Å; G263-T291 CarbonylContact O-C 3.5Å; G263-T291 WeakPolarHBondContact O-CA 3.32Å; T291-D310 CarbonylContact O-C 3.52Å; T291-D310 WeakPolarHBondContact O-CB 3.49Å; T291-D310 VanDerWaalsContact O-O 3.11Å
292	T	86.9	Confident	83.3	Confident	11 Å²	11	65 Å²	65	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.6	170.3	176.3	0	0	0	0	110.5	G263 K264 R265 R294 N311 Y314	G263-T292 PolarHBondContact O-N 2.88Å; K264-T292 CarbonylContact C-O 3.46Å; K264-T292 WeakPolarHBondContact CA-O 3.12Å; K264-T292 HydrophobicContact CB-CG2 4.42Å; K264-T292 HydrophobicContact CG-CG2 3.98Å; R265-T292 PolarHBondContact N-O 3.31Å; T292-R294 PolarHBondContact OG1-N 2.84Å; T292-N311 WeakPolarHBondContact CB-OD1 3.29Å; T292-N311 PolarHBondContact OG1-OD1 2.53Å; T292-Y314 HydrophobicContact CG2-CD1 4.21Å; T292-Y314 HydrophobicContact CG2-CD2 4.01Å; T292-Y314 HydrophobicContact CG2-CE1 3.93Å; T292-Y314 HydrophobicContact CG2-CE2 3.69Å; T292-Y314 HydrophobicContact CG2-CG 4.25Å
293	C	84.3	Confident	82.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.332	C	S	.	.			trans	-85.5	-5.7	174.8	47.9	0	0	0	0	113	L267 H295 C307 N311	L267-C293 HydrophobicContact CD1-CB 4.16Å; L267-C293 HydrophobicContact CD2-CB 4.12Å; L267-C293 HydrophobicContact CG-CB 4.39Å; C293-H295 VanDerWaalsContact C-N 3.34Å; C293-H295 PolarHBondContact O-N 3.23Å; C293-C307 HydrophobicContact CB-CB 3.81Å; C293-C307 WeakPolarHBondContact CB-SG 3.45Å; C293-C307 WeakPolarHBondContact SG-CA 3.48Å; C293-C307 WeakPolarHBondContact SG-CB 3.3Å; C293-C307 PolarHBondContact SG-O 3.16Å; C293-C307 VanDerWaalsContact SG-O 3.35Å; C293-C307 CovalentContact SG-SG 2Å; C293-C307 PolarHBondContact SG-SG 2.95Å; C293-N311 PolarHBondContact N-OD1 3.44Å; C293-N311 VanDerWaalsContact SG-CG 3.56Å; C293-N311 PolarHBondContact SG-ND2 2.94Å; C293-N311 PolarHBondContact SG-OD1 2.84Å; C293-N311 VanDerWaalsContact SG-OD1 3.41Å
294	R	82.3	Confident	82.6	Confident	120 Å²	120	66.3 Å²	66.3	45%	0.453	33%	0.33	S	S	.	.			trans	-70.4	86	179.2	-65.5	-173.1	-174.8	155.1	15	110.8	T292 W299 E315	T292-R294 PolarHBondContact OG1-N 2.84Å; R294-W299 HydrophobicContact CB-CD2 4.43Å; R294-W299 HydrophobicContact CG-CD2 4.24Å; R294-W299 HydrophobicContact CG-CE3 4.24Å; R294-W299 HydrophobicContact CG-CH2 3.98Å; R294-W299 HydrophobicContact CG-CZ2 3.95Å; R294-W299 HydrophobicContact CG-CZ3 4.12Å; R294-E315 IonicContact CZ-OE1 3.85Å; R294-E315 IonicContact NH1-OE1 3.76Å; R294-E315 PolarHBondContact NH1-OE1 2.89Å; R294-E315 IonicContact NH2-OE1 2.76Å; R294-E315 PolarHBondContact NH2-OE1 3.39Å
295	H	75.3	Confident	82.7	Confident	46 Å²	46	68.8 Å²	68.8	21%	0.213	35%	0.345	C	S	.	.			trans	-141.8	112.1	-175.9	-176.3	-74.9	0	0	0	113.9	K264 Y266 C293 R335	K264-H295 HydrophobicContact CD-CB 4.48Å; Y266-H295 AromaticContact CE1-CD2 3.88Å; Y266-H295 AromaticContact CE1-NE2 3.89Å; C293-H295 VanDerWaalsContact C-N 3.34Å; C293-H295 PolarHBondContact O-N 3.23Å; H295-R335 PolarHBondContact CE1-NH1 2.8Å; H295-R335 VanDerWaalsContact CE1-NH1 3.35Å; H295-R335 PolarHBondContact CE1-NH2 2.74Å; H295-R335 PolarHBondContact ND1-NH2 2.87Å
296	G	69.8	Low	82.6	Confident	54 Å²	54	63.4 Å²	63.4	56%	0.557	32%	0.32	S	S	*	.	S	Bend	trans	88.4	-177.2	-178.7	0	0	0	0	0	111.8	W299	G296-W299 VanDerWaalsContact O-CD1 3.27Å
297	K	70.3	Confident	82.4	Confident	203 Å²	203	61.3 Å²	61.3	88%	0.883	31%	0.309	S	S	*	.	S	Bend	trans	-80.5	-26.7	178.3	-67.3	-177.8	178.8	179.5	0	112.6
298	D	72.1	Confident	82.2	Confident	80 Å²	80	65.6 Å²	65.6	43%	0.428	33%	0.332	S	S	.	.	S	Bend	trans	-101.9	17.1	-173.9	-61.5	-66.4	0	0	0	114.4	E300 K301	D298-E300 PolarHBondContact O-N 3.34Å; D298-K301 HydrophobicContact CB-CD 4.17Å; D298-K301 WeakPolarHBondContact O-CB 3.41Å; D298-K301 PolarHBondContact O-N 2.88Å; D298-K301 VanDerWaalsContact O-N 3.09Å; D298-K301 WeakPolarHBondContact OD1-CE 3.16Å; D298-K301 IonicContact OD1-NZ 2.74Å; D298-K301 PolarHBondContact OD1-NZ 3.47Å
299	W	75.6	Confident	81.9	Confident	51 Å²	51	70.4 Å²	70.4	19%	0.193	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-61.7	-32.3	-176.2	71.2	-82.4	0	0	0	112.9	R294 G296 K301 H302 K303	R294-W299 HydrophobicContact CB-CD2 4.43Å; R294-W299 HydrophobicContact CG-CD2 4.24Å; R294-W299 HydrophobicContact CG-CE3 4.24Å; R294-W299 HydrophobicContact CG-CH2 3.98Å; R294-W299 HydrophobicContact CG-CZ2 3.95Å; R294-W299 HydrophobicContact CG-CZ3 4.12Å; G296-W299 VanDerWaalsContact O-CD1 3.27Å; W299-K301 VanDerWaalsContact C-N 3.27Å; W299-K301 PolarHBondContact O-N 3.01Å; W299-H302 PolarHBondContact O-N 3.42Å; W299-K303 PolarHBondContact O-N 2.89Å
300	E	80.3	Confident	81.7	Confident	135 Å²	135	70.6 Å²	70.6	63%	0.631	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-63.9	-32.8	177.1	-65.4	177.6	-175	0	0	112.1	D298 H302 K303	D298-E300 PolarHBondContact O-N 3.34Å; E300-H302 VanDerWaalsContact C-N 3.3Å; E300-H302 PolarHBondContact O-N 2.72Å; E300-K303 VanDerWaalsContact O-CB 3.3Å; E300-K303 WeakPolarHBondContact O-CB 3.42Å; E300-K303 PolarHBondContact O-N 3.17Å
301	K	80.1	Confident	81.6	Confident	159 Å²	159	70.8 Å²	70.8	69%	0.691	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-71.3	-26	179.4	-63.2	178.8	-178.1	160.9	0	112.8	D298 W299	D298-K301 HydrophobicContact CB-CD 4.17Å; D298-K301 WeakPolarHBondContact O-CB 3.41Å; D298-K301 PolarHBondContact O-N 2.88Å; D298-K301 VanDerWaalsContact O-N 3.09Å; D298-K301 WeakPolarHBondContact OD1-CE 3.16Å; D298-K301 IonicContact OD1-NZ 2.74Å; D298-K301 PolarHBondContact OD1-NZ 3.47Å; W299-K301 VanDerWaalsContact C-N 3.27Å; W299-K301 PolarHBondContact O-N 3.01Å
302	H	76.9	Confident	81.5	Confident	105 Å²	105	74.9 Å²	74.9	49%	0.486	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-106.4	10.8	-179.1	-62.9	-66.6	0	0	0	112.8	L267 W299 E300 D304	L267-H302 HydrophobicContact CB-CB 4.14Å; L267-H302 HydrophobicContact CD1-CB 4.05Å; L267-H302 WeakPolarHBondContact CD1-O 3.2Å; W299-H302 PolarHBondContact O-N 3.42Å; E300-H302 VanDerWaalsContact C-N 3.3Å; E300-H302 PolarHBondContact O-N 2.72Å; H302-D304 PolarHBondContact O-N 3.17Å
303	K	82.8	Confident	81.4	Confident	88 Å²	88	76.5 Å²	76.5	38%	0.383	38%	0.383	S	S	.	.			trans	-60.1	127.3	-176.5	175.9	174.4	171.8	-171.7	0	111.1	W299 E300 C307 D308	W299-K303 PolarHBondContact O-N 2.89Å; E300-K303 VanDerWaalsContact O-CB 3.3Å; E300-K303 WeakPolarHBondContact O-CB 3.42Å; E300-K303 PolarHBondContact O-N 3.17Å; K303-C307 HydrophobicContact CG-CB 3.82Å; K303-D308 WeakPolarHBondContact CE-OD1 3.48Å; K303-D308 WeakPolarHBondContact CE-OD2 3.29Å; K303-D308 IonicContact NZ-OD1 2.66Å; K303-D308 PolarHBondContact NZ-OD1 3.31Å; K303-D308 IonicContact NZ-OD2 2.69Å; K303-D308 PolarHBondContact NZ-OD2 3.04Å
304	D	84.3	Confident	81.6	Confident	55 Å²	55	79 Å²	79	29%	0.294	39%	0.393	S	S	.	.			trans	-95.9	171.8	171	69	3.4	0	0	0	111.8	R265 H302 R306 C307	R265-D304 IonicContact CZ-OD1 3.24Å; R265-D304 IonicContact CZ-OD2 3.01Å; R265-D304 VanDerWaalsContact CZ-OD2 3.27Å; R265-D304 IonicContact NH1-OD1 2.72Å; R265-D304 IonicContact NH1-OD2 3.98Å; R265-D304 PolarHBondContact NH1-OD2 2.82Å; R265-D304 VanDerWaalsContact NH2-CG 3.3Å; R265-D304 IonicContact NH2-OD1 3.69Å; R265-D304 PolarHBondContact NH2-OD1 3.5Å; R265-D304 IonicContact NH2-OD2 3.55Å; R265-D304 PolarHBondContact NH2-OD2 3.25Å; H302-D304 PolarHBondContact O-N 3.17Å; D304-R306 PolarHBondContact O-N 2.91Å; D304-R306 PolarHBondContact OD1-N 2.63Å; D304-C307 WeakPolarHBondContact O-CB 3.43Å; D304-C307 PolarHBondContact O-N 3.44Å; D304-C307 VanDerWaalsContact OD1-CB 3.29Å; D304-C307 WeakPolarHBondContact OD1-CB 3.1Å; D304-C307 PolarHBondContact OD1-N 3.38Å
305	A	84.6	Confident	81.8	Confident	105 Å²	105	78.7 Å²	78.7	87%	0.868	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.9	-179	0	0	0	0	0	113.8
306	R	86.2	Confident	82.4	Confident	53 Å²	53	84.5 Å²	84.5	20%	0.2	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-23.7	-178.6	-162.4	178.7	68.1	-144.3	-1.4	113.2	N276 H279 D304 D308 H309 D310	N276-R306 PolarHBondContact OD1-NH1 3.42Å; N276-R306 PolarHBondContact OD1-NH2 3.44Å; H279-R306 PolarHBondContact CE1-NH1 3.08Å; H279-R306 PolarHBondContact ND1-NH1 3.45Å; H279-R306 VanDerWaalsContact ND1-NH1 3.12Å; H279-R306 PolarHBondContact NE2-NH1 3.14Å; D304-R306 PolarHBondContact O-N 2.91Å; D304-R306 PolarHBondContact OD1-N 2.63Å; R306-D308 VanDerWaalsContact C-N 3.27Å; R306-D308 PolarHBondContact O-N 2.91Å; R306-D308 VanDerWaalsContact O-N 3.15Å; R306-H309 PolarHBondContact O-N 3.19Å; R306-D310 WeakPolarHBondContact CG-OD1 2.92Å; R306-D310 IonicContact CZ-OD2 2.67Å; R306-D310 IonicContact NE-OD1 2.77Å; R306-D310 PolarHBondContact NE-OD1 3.22Å; R306-D310 IonicContact NE-OD2 2.82Å; R306-D310 PolarHBondContact NE-OD2 2.99Å; R306-D310 IonicContact NH2-OD2 3.27Å; R306-D310 PolarHBondContact O-N 2.58Å
307	C	85.2	Confident	83	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-53.3	-37.1	-173.2	175.8	0	0	0	0	114.4	C293 K303 D304 N311	C293-C307 HydrophobicContact CB-CB 3.81Å; C293-C307 WeakPolarHBondContact CB-SG 3.45Å; C293-C307 WeakPolarHBondContact SG-CA 3.48Å; C293-C307 WeakPolarHBondContact SG-CB 3.3Å; C293-C307 PolarHBondContact SG-O 3.16Å; C293-C307 VanDerWaalsContact SG-O 3.35Å; C293-C307 CovalentContact SG-SG 2Å; C293-C307 PolarHBondContact SG-SG 2.95Å; K303-C307 HydrophobicContact CG-CB 3.82Å; D304-C307 WeakPolarHBondContact O-CB 3.43Å; D304-C307 PolarHBondContact O-N 3.44Å; D304-C307 VanDerWaalsContact OD1-CB 3.29Å; D304-C307 WeakPolarHBondContact OD1-CB 3.1Å; D304-C307 PolarHBondContact OD1-N 3.38Å; C307-N311 WeakPolarHBondContact O-CB 3.42Å; C307-N311 PolarHBondContact O-N 3.28Å; C307-N311 PolarHBondContact O-ND2 2.77Å; C307-N311 VanDerWaalsContact O-ND2 3.08Å
308	D	86.4	Confident	83.8	Confident	92 Å²	92	80 Å²	80	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-43.5	177.7	-70.9	-32.6	0	0	0	112.6	K303 R306 N311 L312	K303-D308 WeakPolarHBondContact CE-OD1 3.48Å; K303-D308 WeakPolarHBondContact CE-OD2 3.29Å; K303-D308 IonicContact NZ-OD1 2.66Å; K303-D308 PolarHBondContact NZ-OD1 3.31Å; K303-D308 IonicContact NZ-OD2 2.69Å; K303-D308 PolarHBondContact NZ-OD2 3.04Å; R306-D308 VanDerWaalsContact C-N 3.27Å; R306-D308 PolarHBondContact O-N 2.91Å; R306-D308 VanDerWaalsContact O-N 3.15Å; D308-N311 PolarHBondContact O-N 3.37Å; D308-L312 PolarHBondContact O-N 3.4Å
309	H	86.4	Confident	84.4	Confident	103 Å²	103	78.2 Å²	78.2	48%	0.477	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-46.4	176.6	-178.3	69.4	0	0	0	111.3	R306 N311 L312 E313	R306-H309 PolarHBondContact O-N 3.19Å; H309-N311 VanDerWaalsContact C-N 3.3Å; H309-N311 PolarHBondContact O-N 2.96Å; H309-L312 PolarHBondContact O-N 3.34Å; H309-E313 IonicContact CE1-OE1 3.81Å; H309-E313 IonicContact NE2-OE1 3.24Å; H309-E313 IonicContact NE2-OE2 3.06Å; H309-E313 PolarHBondContact O-N 3.39Å
310	D	86.1	Confident	84.7	Confident	12 Å²	12	82.3 Å²	82.3	6%	0.064	40%	0.395	C	S	.	.	H	α-helix	trans	-53.2	-47.7	175.9	-78.7	-13.8	0	0	0	110.8	R265 T291 R306 E313 Y314	R265-D310 IonicContact CZ-OD2 3Å; R265-D310 VanDerWaalsContact CZ-OD2 3.29Å; R265-D310 IonicContact NE-OD2 2.86Å; R265-D310 PolarHBondContact NE-OD2 2.97Å; R265-D310 IonicContact NH2-OD2 3.19Å; R265-D310 PolarHBondContact NH2-OD2 3.22Å; T291-D310 CarbonylContact O-C 3.52Å; T291-D310 WeakPolarHBondContact O-CB 3.49Å; T291-D310 VanDerWaalsContact O-O 3.11Å; R306-D310 WeakPolarHBondContact CG-OD1 2.92Å; R306-D310 IonicContact CZ-OD2 2.67Å; R306-D310 IonicContact NE-OD1 2.77Å; R306-D310 PolarHBondContact NE-OD1 3.22Å; R306-D310 IonicContact NE-OD2 2.82Å; R306-D310 PolarHBondContact NE-OD2 2.99Å; R306-D310 IonicContact NH2-OD2 3.27Å; R306-D310 PolarHBondContact O-N 2.58Å; D310-E313 PolarHBondContact O-N 3.47Å; D310-Y314 VanDerWaalsContact O-CB 3.23Å; D310-Y314 WeakPolarHBondContact O-CB 3.19Å; D310-Y314 PolarHBondContact O-N 3.28Å
311	N	87.9	Confident	84.9	Confident	8 Å²	8	81.4 Å²	81.4	4%	0.043	39%	0.391	C	S	.	.	H	α-helix	trans	-67.1	-41.6	179.7	-72	-30.7	0	0	0	112.9	T292 C293 C307 D308 H309 E313 Y314 E315	T292-N311 WeakPolarHBondContact CB-OD1 3.29Å; T292-N311 PolarHBondContact OG1-OD1 2.53Å; C293-N311 PolarHBondContact N-OD1 3.44Å; C293-N311 VanDerWaalsContact SG-CG 3.56Å; C293-N311 PolarHBondContact SG-ND2 2.94Å; C293-N311 PolarHBondContact SG-OD1 2.84Å; C293-N311 VanDerWaalsContact SG-OD1 3.41Å; C307-N311 WeakPolarHBondContact O-CB 3.42Å; C307-N311 PolarHBondContact O-N 3.28Å; C307-N311 PolarHBondContact O-ND2 2.77Å; C307-N311 VanDerWaalsContact O-ND2 3.08Å; D308-N311 PolarHBondContact O-N 3.37Å; H309-N311 VanDerWaalsContact C-N 3.3Å; H309-N311 PolarHBondContact O-N 2.96Å; N311-E313 VanDerWaalsContact C-N 3.32Å; N311-E313 PolarHBondContact O-N 2.86Å; N311-Y314 PolarHBondContact O-N 2.61Å; N311-E315 WeakPolarHBondContact O-CG 3.38Å; N311-E315 PolarHBondContact O-N 3.34Å; N311-E315 VanDerWaalsContact O-N 3.1Å
312	L	87.7	Confident	85.1	Confident	92 Å²	92	74 Å²	74	48%	0.482	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-43.2	178.2	-172.9	76.8	0	0	0	111	D308 H309 R316	D308-L312 PolarHBondContact O-N 3.4Å; H309-L312 PolarHBondContact O-N 3.34Å; L312-R316 WeakPolarHBondContact O-CG 3.47Å
313	E	85.3	Confident	85.4	Confident	45 Å²	45	69.2 Å²	69.2	21%	0.21	34%	0.337	C	S	.	.	H	α-helix	trans	-70.2	-38	176.2	-67.6	-156.6	147.2	0	0	112.5	H282 L290 H309 D310 N311 E315 R316	H282-E313 IonicContact NE2-OE2 2.77Å; L290-E313 HydrophobicContact CD2-CB 4.06Å; H309-E313 IonicContact CE1-OE1 3.81Å; H309-E313 IonicContact NE2-OE1 3.24Å; H309-E313 IonicContact NE2-OE2 3.06Å; H309-E313 PolarHBondContact O-N 3.39Å; D310-E313 PolarHBondContact O-N 3.47Å; N311-E313 VanDerWaalsContact C-N 3.32Å; N311-E313 PolarHBondContact O-N 2.86Å; E313-E315 VanDerWaalsContact C-N 3.29Å; E313-E315 PolarHBondContact O-N 3.24Å; E313-R316 PolarHBondContact O-N 2.83Å
314	Y	87.3	Confident	85.2	Confident	52 Å²	52	69.2 Å²	69.2	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-36.3	179.1	-172.7	-87.7	0	0	0	113.2	K262 G263 L290 T292 D310 N311	K262-Y314 HydrophobicContact CD-CD2 4.49Å; K262-Y314 HydrophobicContact CD-CE2 4.11Å; K262-Y314 VanDerWaalsContact CE-CE2 3.49Å; K262-Y314 VanDerWaalsContact CE-O 3.25Å; K262-Y314 WeakPolarHBondContact CE-O 3.14Å; K262-Y314 HydrophobicContact CG-CD2 3.9Å; K262-Y314 HydrophobicContact CG-CE2 3.36Å; K262-Y314 PolarHBondContact NZ-O 3.02Å; G263-Y314 WeakPolarHBondContact O-CE2 3.26Å; L290-Y314 HydrophobicContact CB-CD2 4.27Å; T292-Y314 HydrophobicContact CG2-CD1 4.21Å; T292-Y314 HydrophobicContact CG2-CD2 4.01Å; T292-Y314 HydrophobicContact CG2-CE1 3.93Å; T292-Y314 HydrophobicContact CG2-CE2 3.69Å; T292-Y314 HydrophobicContact CG2-CG 4.25Å; D310-Y314 VanDerWaalsContact O-CB 3.23Å; D310-Y314 WeakPolarHBondContact O-CB 3.19Å; D310-Y314 PolarHBondContact O-N 3.28Å; N311-Y314 PolarHBondContact O-N 2.61Å
315	E	87.9	Confident	85.2	Confident	115 Å²	115	68.4 Å²	68.4	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-75.4	-21.8	179.6	-72.2	175.2	-177.4	0	0	113	R294 N311 E313 F317	R294-E315 IonicContact CZ-OE1 3.85Å; R294-E315 IonicContact NH1-OE1 3.76Å; R294-E315 PolarHBondContact NH1-OE1 2.89Å; R294-E315 IonicContact NH2-OE1 2.76Å; R294-E315 PolarHBondContact NH2-OE1 3.39Å; N311-E315 WeakPolarHBondContact O-CG 3.38Å; N311-E315 PolarHBondContact O-N 3.34Å; N311-E315 VanDerWaalsContact O-N 3.1Å; E313-E315 VanDerWaalsContact C-N 3.29Å; E313-E315 PolarHBondContact O-N 3.24Å; E315-F317 VanDerWaalsContact C-N 3.35Å; E315-F317 PolarHBondContact O-N 2.87Å
316	R	86.6	Confident	85.4	Confident	168 Å²	168	63.4 Å²	63.4	63%	0.634	29%	0.292	S	S	*	.	H	α-helix	trans	-70.7	-24.7	-177.7	-75.7	173.7	-178.7	-174.6	-2.2	115	L312 E313	L312-R316 WeakPolarHBondContact O-CG 3.47Å; E313-R316 PolarHBondContact O-N 2.83Å
317	F	83.1	Confident	85.6	Confident	75 Å²	75	60.9 Å²	60.9	33%	0.329	28%	0.283	S	S	.	.	S	Bend	trans	-113.2	136.3	-173	-69.2	-91.5	0	0	0	110.8	K262 L290 E315 L322	K262-F317 PolarHBondContact NZ-O 2.98Å; L290-F317 HydrophobicContact CD1-CB 3.7Å; L290-F317 HydrophobicContact CD1-CD2 3.43Å; L290-F317 VanDerWaalsContact CD1-CD2 3.43Å; L290-F317 HydrophobicContact CD1-CE2 4.22Å; L290-F317 HydrophobicContact CD1-CG 3.69Å; L290-F317 HydrophobicContact CD2-CD2 4.31Å; L290-F317 HydrophobicContact CD2-CE2 4.45Å; E315-F317 VanDerWaalsContact C-N 3.35Å; E315-F317 PolarHBondContact O-N 2.87Å; F317-L322 HydrophobicContact CD1-CD1 4.39Å
318	D	86.9	Confident	85.9	Confident	86 Å²	86	61 Å²	61	46%	0.46	28%	0.283	S	S	.	.			trans	-73.9	140.8	168.1	-178.3	-93.8	0	0	0	111.2	Q320 E321 L322	D318-Q320 WeakPolarHBondContact OD1-CA 3.39Å; D318-Q320 WeakPolarHBondContact OD1-CB 3.13Å; D318-Q320 PolarHBondContact OD1-N 3.34Å; D318-E321 HydrophobicContact CB-CB 3.96Å; D318-E321 PolarHBondContact OD1-N 3.03Å; D318-L322 VanDerWaalsContact O-CB 3.3Å; D318-L322 WeakPolarHBondContact O-CB 3.47Å; D318-L322 PolarHBondContact O-N 2.77Å; D318-L322 VanDerWaalsContact O-N 3.14Å
319	Y	84.6	Confident	86.2	Confident	44 Å²	44	56.9 Å²	56.9	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-69.9	-44.8	-177.8	178.4	-121.5	0	0	0	112.5	M260 K262 L322 L323 R341 E344	M260-Y319 HydrophobicContact CE-CE2 3.97Å; K262-Y319 HydrophobicContact CB-CD2 3.85Å; K262-Y319 HydrophobicContact CB-CE2 4.17Å; K262-Y319 HydrophobicContact CD-CD2 3.98Å; K262-Y319 HydrophobicContact CG-CD2 4.2Å; Y319-L322 PolarHBondContact O-N 3.3Å; Y319-L323 HydrophobicContact CE1-CD2 4.1Å; Y319-L323 VanDerWaalsContact O-CB 3.25Å; Y319-L323 WeakPolarHBondContact O-CB 3.39Å; Y319-L323 PolarHBondContact O-N 3.43Å; Y319-R341 WeakPolarHBondContact OH-CD 3.42Å; Y319-R341 PolarHBondContact OH-NE 2.96Å; Y319-R341 VanDerWaalsContact OH-NE 3.17Å; Y319-R341 PolarHBondContact OH-NH1 2.9Å; Y319-R341 PolarHBondContact OH-NH2 2.89Å; Y319-E344 PolarHBondContact OH-OE2 3.47Å
320	Q	82.3	Confident	86.4	Confident	137 Å²	137	52.1 Å²	52.1	64%	0.64	24%	0.24	S	C	*	.	H	α-helix	trans	-69.2	-40.5	-177.5	-64.7	-175.6	-19.5	0	0	110.4	D318 L323 H324	D318-Q320 WeakPolarHBondContact OD1-CA 3.39Å; D318-Q320 WeakPolarHBondContact OD1-CB 3.13Å; D318-Q320 PolarHBondContact OD1-N 3.34Å; Q320-L323 PolarHBondContact O-N 3.14Å; Q320-H324 WeakPolarHBondContact O-CB 3.4Å; Q320-H324 PolarHBondContact O-N 3.02Å
321	E	83.3	Confident	86.7	Confident	116 Å²	116	51.7 Å²	51.7	54%	0.542	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-43.6	176.3	-165.3	-166.8	158.8	0	0	111.9	D318 H324 N325	D318-E321 HydrophobicContact CB-CB 3.96Å; D318-E321 PolarHBondContact OD1-N 3.03Å; E321-H324 PolarHBondContact O-N 3.49Å; E321-N325 WeakPolarHBondContact O-CB 3.42Å; E321-N325 PolarHBondContact O-N 3.29Å
322	L	85.1	Confident	86.8	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-45.3	177.4	-170.9	78.7	0	0	0	111.1	Y257 M260 K262 V288 L290 F317 D318 Y319 H324 N325 S326	Y257-L322 HydrophobicContact CD2-CD1 3.91Å; Y257-L322 HydrophobicContact CE2-CD1 3.75Å; M260-L322 HydrophobicContact CB-CD2 4Å; M260-L322 HydrophobicContact CB-CG 4.09Å; M260-L322 HydrophobicContact CE-CD2 4.43Å; M260-L322 HydrophobicContact CG-CD2 4.13Å; M260-L322 HydrophobicContact CG-CG 4.13Å; M260-L322 HydrophobicContact SD-CD2 3.83Å; M260-L322 HydrophobicContact SD-CG 4.35Å; K262-L322 HydrophobicContact CB-CD2 4.02Å; V288-L322 HydrophobicContact CB-CD1 4.18Å; V288-L322 HydrophobicContact CG1-CD1 3.82Å; V288-L322 HydrophobicContact CG1-CD2 4.27Å; L290-L322 HydrophobicContact CD1-CD2 4.42Å; F317-L322 HydrophobicContact CD1-CD1 4.39Å; D318-L322 VanDerWaalsContact O-CB 3.3Å; D318-L322 WeakPolarHBondContact O-CB 3.47Å; D318-L322 PolarHBondContact O-N 2.77Å; D318-L322 VanDerWaalsContact O-N 3.14Å; Y319-L322 PolarHBondContact O-N 3.3Å; L322-H324 VanDerWaalsContact C-N 3.31Å; L322-H324 PolarHBondContact O-N 2.95Å; L322-N325 PolarHBondContact O-N 3.45Å; L322-S326 WeakPolarHBondContact O-CB 3.25Å; L322-S326 PolarHBondContact O-N 2.89Å; L322-S326 PolarHBondContact O-OG 3.29Å
323	L	82.5	Confident	86.8	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-39.5	178.5	-176.7	57.4	0	0	0	111.4	M260 Y319 Q320 C329 Q348 C351	M260-L323 VanDerWaalsContact CE-CA 3.4Å; M260-L323 HydrophobicContact CE-CB 3.5Å; M260-L323 VanDerWaalsContact CE-CB 3.5Å; M260-L323 HydrophobicContact CE-CD1 3.34Å; M260-L323 HydrophobicContact CE-CG 3.95Å; Y319-L323 HydrophobicContact CE1-CD2 4.1Å; Y319-L323 VanDerWaalsContact O-CB 3.25Å; Y319-L323 WeakPolarHBondContact O-CB 3.39Å; Y319-L323 PolarHBondContact O-N 3.43Å; Q320-L323 PolarHBondContact O-N 3.14Å; L323-C329 WeakPolarHBondContact CD1-SG 3.39Å; L323-Q348 HydrophobicContact CD1-CB 4.5Å; L323-Q348 HydrophobicContact CD1-CG 4.27Å; L323-Q348 HydrophobicContact CD2-CG 3.52Å; L323-Q348 HydrophobicContact CG-CB 4.26Å; L323-Q348 HydrophobicContact CG-CG 3.66Å; L323-C351 HydrophobicContact CD1-CB 3.95Å
324	H	79.7	Confident	86.6	Confident	88 Å²	88	48.2 Å²	48.2	41%	0.407	22%	0.216	S	C	.	.	H	α-helix	trans	-63.8	-45.3	172.4	-177.1	-90.8	0	0	0	111.3	R255 Q320 E321 L322 S326	R255-H324 WeakPolarHBondContact CD-O 3.5Å; R255-H324 PolarHBondContact NH1-CD2 3.15Å; R255-H324 PolarHBondContact NH1-CE1 3.09Å; R255-H324 PolarHBondContact NH1-NE2 2.89Å; R255-H324 PolarHBondContact NH1-O 3.44Å; Q320-H324 WeakPolarHBondContact O-CB 3.4Å; Q320-H324 PolarHBondContact O-N 3.02Å; E321-H324 PolarHBondContact O-N 3.49Å; L322-H324 VanDerWaalsContact C-N 3.31Å; L322-H324 PolarHBondContact O-N 2.95Å; H324-S326 PolarHBondContact O-N 3.41Å; H324-S326 VanDerWaalsContact O-N 3.17Å
325	N	84.9	Confident	86.2	Confident	39 Å²	39	48 Å²	48	21%	0.209	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	11.8	-171.9	-70.6	-23.7	0	0	0	114.7	R255 K256 Y257 E321 L322	R255-N325 WeakPolarHBondContact CB-O 3.36Å; K256-N325 HydrophobicContact CB-CB 4.42Å; K256-N325 PolarHBondContact N-O 2.82Å; Y257-N325 HydrophobicContact CD2-CB 3.91Å; Y257-N325 HydrophobicContact CE2-CB 4.09Å; Y257-N325 PolarHBondContact N-O 3.14Å; E321-N325 WeakPolarHBondContact O-CB 3.42Å; E321-N325 PolarHBondContact O-N 3.29Å; L322-N325 PolarHBondContact O-N 3.45Å
326	S	88.6	Confident	86	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.5	-174.3	-61.9	0	0	0	0	114	Y257 M260 L322 H324	Y257-S326 CarbonylContact O-C 3.5Å; Y257-S326 WeakPolarHBondContact O-CA 3.33Å; M260-S326 WeakPolarHBondContact CB-OG 3.27Å; M260-S326 WeakPolarHBondContact CG-OG 3.13Å; L322-S326 WeakPolarHBondContact O-CB 3.25Å; L322-S326 PolarHBondContact O-N 2.89Å; L322-S326 PolarHBondContact O-OG 3.29Å; H324-S326 PolarHBondContact O-N 3.41Å; H324-S326 VanDerWaalsContact O-N 3.17Å
327	T	89.5	Confident	85.9	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-43.1	178.2	-51.6	0	0	0	0	112.3	R255 Y257 L258 C351 I352 V397	R255-T327 PolarHBondContact N-OG1 2.96Å; Y257-T327 PolarHBondContact O-N 3.47Å; Y257-T327 PolarHBondContact O-OG1 3.25Å; L258-T327 WeakPolarHBondContact O-CB 3.39Å; T327-C351 WeakPolarHBondContact O-CA 3.43Å; T327-I352 PolarHBondContact O-N 3.45Å; T327-V397 HydrophobicContact CG2-CG1 3.83Å
328	F	92	Very high	85.9	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.5	178.5	-63.4	-80.7	0	0	0	110.2	L258 L259 M260 C351 I352 V354 I375 V389 V392 V397	L258-F328 HydrophobicContact CD1-CD2 3.89Å; L258-F328 HydrophobicContact CD1-CE2 3.92Å; L258-F328 HydrophobicContact CG-CD2 4.32Å; L258-F328 WeakPolarHBondContact O-CB 3.2Å; L258-F328 WeakPolarHBondContact O-CD2 3.45Å; L258-F328 PolarHBondContact O-N 2.93Å; L259-F328 WeakPolarHBondContact CA-O 3.28Å; L259-F328 HydrophobicContact CD1-CB 3.73Å; M260-F328 PolarHBondContact N-O 3.45Å; F328-C351 PolarHBondContact O-SG 3.5Å; F328-C351 VanDerWaalsContact O-SG 3.38Å; F328-I352 CarbonylContact C-O 3.53Å; F328-I352 WeakPolarHBondContact CA-O 3.47Å; F328-I352 HydrophobicContact CD1-CB 3.65Å; F328-I352 HydrophobicContact CD1-CD1 4.14Å; F328-I352 HydrophobicContact CD1-CG1 4.5Å; F328-I352 HydrophobicContact CD1-CG2 3.94Å; F328-I352 HydrophobicContact CE1-CB 3.94Å; F328-I352 HydrophobicContact CE1-CD1 3.63Å; F328-I352 HydrophobicContact CE1-CG1 4.41Å; F328-I352 HydrophobicContact CE1-CG2 4.03Å; F328-I352 HydrophobicContact CZ-CD1 4.23Å; F328-V354 HydrophobicContact CB-CG2 3.92Å; F328-V354 HydrophobicContact CD1-CG2 4.03Å; F328-V354 HydrophobicContact CG-CG2 4.33Å; F328-I375 HydrophobicContact CD1-CD1 3.9Å; F328-I375 HydrophobicContact CE1-CD1 3.42Å; F328-I375 VanDerWaalsContact CE1-CD1 3.42Å; F328-I375 HydrophobicContact CZ-CD1 4.26Å; F328-V389 HydrophobicContact CB-CG1 4.47Å; F328-V389 HydrophobicContact CD1-CG1 4.39Å; F328-V389 HydrophobicContact CD2-CB 3.9Å; F328-V389 HydrophobicContact CD2-CG1 4.3Å; F328-V389 HydrophobicContact CE2-CB 4.06Å; F328-V389 HydrophobicContact CG-CB 4.26Å; F328-V389 HydrophobicContact CG-CG1 4.15Å; F328-V392 HydrophobicContact CZ-CB 4Å; F328-V392 HydrophobicContact CZ-CG1 4.17Å; F328-V392 HydrophobicContact CZ-CG2 4.17Å; F328-V397 HydrophobicContact CE2-CG2 4.43Å; F328-V397 HydrophobicContact CZ-CG2 3.84Å
329	C	92.1	Very high	85.8	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.034	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.7	179.9	-85.8	0	0	0	0	109.8	L323 C351 I352 P353 V354	L323-C329 WeakPolarHBondContact CD1-SG 3.39Å; C329-C351 WeakPolarHBondContact CA-SG 3.21Å; C329-C351 HydrophobicContact CB-CB 3.89Å; C329-C351 WeakPolarHBondContact CB-SG 3.48Å; C329-C351 PolarHBondContact N-SG 3.03Å; C329-C351 WeakPolarHBondContact SG-CB 3.47Å; C329-C351 CovalentContact SG-SG 2.01Å; C329-C351 PolarHBondContact SG-SG 3.18Å; C329-I352 PolarHBondContact N-O 2.78Å; C329-P353 CarbonylContact O-C 3.57Å; C329-P353 WeakPolarHBondContact O-CA 3.41Å; C329-V354 PolarHBondContact O-N 2.8Å
330	L	91.9	Very high	85.9	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.4	175	-150.5	89	0	0	0	110	L259 M260 F261 L278 P332 V354 L356 V385	L259-L330 HydrophobicContact CD1-CB 4.38Å; L259-L330 HydrophobicContact CD1-CD1 4.09Å; L259-L330 HydrophobicContact CD2-CD1 4.14Å; L259-L330 HydrophobicContact CG-CD1 4.5Å; M260-L330 PolarHBondContact O-N 3.32Å; F261-L330 HydrophobicContact CB-CB 3.92Å; F261-L330 HydrophobicContact CB-CD2 4.27Å; F261-L330 HydrophobicContact CD2-CB 4.23Å; F261-L330 HydrophobicContact CG-CB 4.44Å; F261-L330 HydrophobicContact CG-CD2 4.42Å; L278-L330 HydrophobicContact CD1-CD2 4.04Å; L278-L330 HydrophobicContact CD2-CD2 3.27Å; L278-L330 HydrophobicContact CG-CD2 4.27Å; L330-P332 HydrophobicContact CD2-CB 4.32Å; L330-P332 HydrophobicContact CD2-CG 4.17Å; L330-P332 VanDerWaalsContact O-CD 3.28Å; L330-P332 WeakPolarHBondContact O-CD 3.36Å; L330-V354 HydrophobicContact CD1-CG1 4.35Å; L330-L356 HydrophobicContact CD1-CD1 3.69Å; L330-L356 HydrophobicContact CD1-CG 4.46Å; L330-L356 HydrophobicContact CD2-CD1 3.78Å; L330-L356 HydrophobicContact CG-CD1 3.77Å; L330-V385 HydrophobicContact CD1-CG1 4.12Å
331	V	92	Very high	86.1	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	76.1	174.5	-173.5	0	0	0	0	108	R341 F342 P353 V354 L355 L356	V331-R341 HydrophobicContact CG1-CB 4.29Å; V331-R341 HydrophobicContact CG2-CB 4.45Å; V331-F342 HydrophobicContact CG1-CB 4.01Å; V331-P353 HydrophobicContact CG2-CB 4.04Å; V331-V354 PolarHBondContact N-O 3.12Å; V331-L355 HydrophobicContact CB-CD2 3.95Å; V331-L355 HydrophobicContact CG1-CD2 4.11Å; V331-L355 HydrophobicContact CG2-CD2 4.42Å; V331-L356 PolarHBondContact O-N 3.34Å
332	P	90.4	Very high	86.4	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	152.3	176.5	33.6	-35.7	0	0	0	111.6	F261 T274 L278 L330 G334 L356	F261-P332 HydrophobicContact CD2-CG 3.79Å; F261-P332 HydrophobicContact CE1-CG 4.49Å; F261-P332 VanDerWaalsContact CE2-CD 3.41Å; F261-P332 HydrophobicContact CE2-CG 3.27Å; F261-P332 HydrophobicContact CZ-CG 3.67Å; T274-P332 HydrophobicContact CG2-CB 4.49Å; L278-P332 HydrophobicContact CD1-CB 4.47Å; L278-P332 HydrophobicContact CD1-CG 4.04Å; L330-P332 HydrophobicContact CD2-CB 4.32Å; L330-P332 HydrophobicContact CD2-CG 4.17Å; L330-P332 VanDerWaalsContact O-CD 3.28Å; L330-P332 WeakPolarHBondContact O-CD 3.36Å; P332-G334 PolarHBondContact O-N 2.72Å; P332-L356 CarbonylContact C-O 3.41Å; P332-L356 WeakPolarHBondContact CA-O 3.21Å; P332-L356 HydrophobicContact CB-CB 4.44Å
333	R	86.5	Confident	86.6	Confident	67 Å²	67	22.2 Å²	22.2	25%	0.253	10%	0.1	S	C	.	.			trans	-45.2	136.6	172.4	-171.6	176.1	172.9	165.8	3.7	111.3	R275 L356	R275-R333 PolarHBondContact NE-O 3.46Å; R275-R333 PolarHBondContact NH2-O 2.83Å; R333-L356 PolarHBondContact N-O 3.47Å
334	G	81.6	Confident	86.8	Confident	3 Å²	3	24.3 Å²	24.3	3%	0.031	11%	0.11	C	C	.	.			trans	-88.8	-155	172.4	0	0	0	0	0	111.3	P332 R336	P332-G334 PolarHBondContact O-N 2.72Å; G334-R336 CarbonylContact C-O 3.41Å; G334-R336 VanDerWaalsContact C-O 3.3Å; G334-R336 WeakPolarHBondContact CA-O 3.22Å; G334-R336 PolarHBondContact N-O 2.91Å
335	R	78.2	Confident	87.1	Confident	49 Å²	49	20.2 Å²	20.2	19%	0.185	9%	0.091	C	C	.	.	S	Bend	trans	-66.6	-27.4	162.5	-72.2	-178.4	168.2	-169.5	-4	112	Y198 Y266 H295	Y198-R335 HydrophobicContact CD2-CB 4.01Å; Y198-R335 HydrophobicContact CE2-CB 3.82Å; Y198-R335 HydrophobicContact CE2-CG 4.03Å; Y198-R335 HydrophobicContact CG-CB 4.45Å; Y198-R335 WeakPolarHBondContact OH-CD 3.32Å; Y198-R335 PolarHBondContact OH-NH1 3Å; Y266-R335 HydrophobicContact CD1-CG 4.13Å; Y266-R335 HydrophobicContact CD2-CG 4.11Å; Y266-R335 HydrophobicContact CE1-CG 3.86Å; Y266-R335 HydrophobicContact CE2-CG 3.86Å; Y266-R335 HydrophobicContact CG-CG 4.25Å; H295-R335 PolarHBondContact CE1-NH1 2.8Å; H295-R335 VanDerWaalsContact CE1-NH1 3.35Å; H295-R335 PolarHBondContact CE1-NH2 2.74Å; H295-R335 PolarHBondContact ND1-NH2 2.87Å
336	R	85.1	Confident	87.1	Confident	42 Å²	42	18.3 Å²	18.3	16%	0.158	8%	0.081	C	C	.	.	S	Bend	trans	-109.7	170.1	168.2	-62	176.7	-179.2	97.2	1.2	109.2	S192 G193 G334 G338	S192-R336 VanDerWaalsContact O-CZ 3.29Å; S192-R336 PolarHBondContact O-NE 3.33Å; S192-R336 PolarHBondContact O-NH2 3.07Å; G193-R336 PolarHBondContact O-NH2 3.24Å; G334-R336 CarbonylContact C-O 3.41Å; G334-R336 VanDerWaalsContact C-O 3.3Å; G334-R336 WeakPolarHBondContact CA-O 3.22Å; G334-R336 PolarHBondContact N-O 2.91Å; R336-G338 PolarHBondContact O-N 3.3Å
337	L	83.4	Confident	86.6	Confident	9 Å²	9	20.2 Å²	20.2	5%	0.047	9%	0.089	C	C	.	.	S	Bend	trans	-63.5	-39.1	-179.5	-69.5	172.7	0	0	0	113.1	N217 S357 W360	N217-L337 HydrophobicContact CB-CD1 3.65Å; L337-S357 PolarHBondContact O-OG 3.35Å; L337-W360 HydrophobicContact CB-CB 4.02Å; L337-W360 HydrophobicContact CB-CG 3.99Å
338	G	82.8	Confident	85.6	Confident	5 Å²	5	21 Å²	21	5%	0.052	9%	0.093	C	C	.	.			trans	-85.9	151.1	177.2	0	0	0	0	0	113.1	S215 R336	S215-G338 VanDerWaalsContact CB-N 3.29Å; S215-G338 VanDerWaalsContact OG-CA 3.24Å; S215-G338 WeakPolarHBondContact OG-CA 3.35Å; S215-G338 PolarHBondContact OG-N 3.17Å; R336-G338 PolarHBondContact O-N 3.3Å
339	S	84.6	Confident	84	Confident	11 Å²	11	20.9 Å²	20.9	8%	0.077	9%	0.093	C	C	.	.			trans	-134.7	141.8	179.7	175.3	0	0	0	0	110.5	R341 F342	S339-R341 PolarHBondContact O-N 2.96Å; S339-R341 VanDerWaalsContact O-N 3.13Å; S339-R341 WeakPolarHBondContact OG-CB 3.37Å; S339-R341 WeakPolarHBondContact OG-CG 3.3Å; S339-R341 PolarHBondContact OG-N 3.13Å; S339-F342 VanDerWaalsContact O-CB 3.28Å; S339-F342 WeakPolarHBondContact O-CB 3.21Å; S339-F342 PolarHBondContact O-N 3.23Å
340	F	86.8	Confident	82.5	Confident	72 Å²	72	20.7 Å²	20.7	32%	0.316	9%	0.092	S	C	.	.	H	α-helix	trans	-57.8	-25.6	173	-62.5	-73.7	0	0	0	112.5	Y191 L231 F342 L343 E344	Y191-F340 AromaticContact CE1-CZ 3.91Å; Y191-F340 HydrophobicContact CE1-CZ 3.91Å; Y191-F340 WeakPolarHBondContact OH-CZ 3.29Å; L231-F340 HydrophobicContact CD1-CE1 4.2Å; L231-F340 HydrophobicContact CD1-CZ 4.34Å; L231-F340 HydrophobicContact CD2-CD1 4.05Å; L231-F340 HydrophobicContact CD2-CD2 4.12Å; L231-F340 HydrophobicContact CD2-CE1 3.87Å; L231-F340 HydrophobicContact CD2-CE2 3.93Å; L231-F340 HydrophobicContact CD2-CG 4.18Å; L231-F340 HydrophobicContact CD2-CZ 3.81Å; L231-F340 HydrophobicContact CG-CD1 3.85Å; L231-F340 HydrophobicContact CG-CE1 3.55Å; L231-F340 HydrophobicContact CG-CG 4.47Å; L231-F340 HydrophobicContact CG-CZ 3.91Å; F340-F342 PolarHBondContact O-N 3.4Å; F340-F342 VanDerWaalsContact O-N 3.13Å; F340-L343 PolarHBondContact O-N 3.48Å; F340-E344 WeakPolarHBondContact O-CG 3.33Å; F340-E344 PolarHBondContact O-N 3.06Å
341	R	87.5	Confident	82	Confident	48 Å²	48	20.5 Å²	20.5	18%	0.181	9%	0.091	C	C	.	.	H	α-helix	trans	-56.8	-27.6	175.1	-61.6	-69.4	100.1	151.3	-9.9	112.2	K262 Y319 V331 S339 E344 S345	K262-R341 PolarHBondContact O-NH1 3.27Å; Y319-R341 WeakPolarHBondContact OH-CD 3.42Å; Y319-R341 PolarHBondContact OH-NE 2.96Å; Y319-R341 VanDerWaalsContact OH-NE 3.17Å; Y319-R341 PolarHBondContact OH-NH1 2.9Å; Y319-R341 PolarHBondContact OH-NH2 2.89Å; V331-R341 HydrophobicContact CG1-CB 4.29Å; V331-R341 HydrophobicContact CG2-CB 4.45Å; S339-R341 PolarHBondContact O-N 2.96Å; S339-R341 VanDerWaalsContact O-N 3.13Å; S339-R341 WeakPolarHBondContact OG-CB 3.37Å; S339-R341 WeakPolarHBondContact OG-CG 3.3Å; S339-R341 PolarHBondContact OG-N 3.13Å; R341-E344 IonicContact CZ-OE1 3.95Å; R341-E344 IonicContact CZ-OE2 3.05Å; R341-E344 IonicContact NE-OE1 3.85Å; R341-E344 IonicContact NE-OE2 2.86Å; R341-E344 PolarHBondContact NE-OE2 2.78Å; R341-E344 VanDerWaalsContact NH2-CD 3.29Å; R341-E344 IonicContact NH2-OE1 2.58Å; R341-E344 PolarHBondContact NH2-OE1 2.95Å; R341-E344 IonicContact NH2-OE2 3.29Å; R341-E344 PolarHBondContact NH2-OE2 3.09Å; R341-S345 VanDerWaalsContact O-CB 3.31Å; R341-S345 WeakPolarHBondContact O-CB 3.45Å; R341-S345 PolarHBondContact O-N 3.04Å; R341-S345 PolarHBondContact O-OG 3.27Å
342	F	90.1	Very high	81.9	Confident	3 Å²	3	20.4 Å²	20.4	1%	0.013	9%	0.09	C	C	.	.	H	α-helix	trans	-61.4	-58.4	177.1	-176.4	-111.6	0	0	0	111.2	V331 S339 F340 E344 S345 L346 L355 W360 L362 P363 W370 V374	V331-F342 HydrophobicContact CG1-CB 4.01Å; S339-F342 VanDerWaalsContact O-CB 3.28Å; S339-F342 WeakPolarHBondContact O-CB 3.21Å; S339-F342 PolarHBondContact O-N 3.23Å; F340-F342 PolarHBondContact O-N 3.4Å; F340-F342 VanDerWaalsContact O-N 3.13Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 3.48Å; F342-S345 PolarHBondContact O-N 3.04Å; F342-S345 PolarHBondContact O-OG 2.82Å; F342-L346 HydrophobicContact CD1-CD1 4.12Å; F342-L346 HydrophobicContact CE1-CD1 3.69Å; F342-L346 HydrophobicContact CZ-CD1 3.95Å; F342-L346 WeakPolarHBondContact O-CG 3.33Å; F342-L346 PolarHBondContact O-N 3.37Å; F342-L346 VanDerWaalsContact O-N 3.14Å; F342-L355 HydrophobicContact CD2-CD2 3.74Å; F342-L355 HydrophobicContact CE2-CD2 3.9Å; F342-W360 HydrophobicContact CB-CH2 3.91Å; F342-W360 HydrophobicContact CB-CZ3 4.5Å; F342-W360 AromaticContact CD1-CH2 3.88Å; F342-W360 HydrophobicContact CD1-CH2 3.88Å; F342-W360 AromaticContact CD2-CH2 3.89Å; F342-W360 HydrophobicContact CD2-CH2 3.89Å; F342-W360 HydrophobicContact CD2-CZ3 4.1Å; F342-W360 HydrophobicContact CE1-CH2 4.31Å; F342-W360 HydrophobicContact CE2-CH2 4.32Å; F342-W360 AromaticContact CG-CH2 3.62Å; F342-W360 HydrophobicContact CG-CH2 3.62Å; F342-W360 HydrophobicContact CG-CZ3 4.25Å; F342-W360 HydrophobicContact CZ-CH2 4.5Å; F342-L362 HydrophobicContact CE2-CD2 4.18Å; F342-L362 HydrophobicContact CZ-CD2 4.19Å; F342-P363 HydrophobicContact CD1-CG 4.32Å; F342-P363 HydrophobicContact CE1-CG 3.78Å; F342-W370 AromaticContact CE1-CH2 3.79Å; F342-W370 HydrophobicContact CE1-CH2 3.79Å; F342-W370 HydrophobicContact CE1-CZ2 4.13Å; F342-W370 HydrophobicContact CE1-CZ3 4.42Å; F342-W370 HydrophobicContact CE2-CH2 4.48Å; F342-W370 HydrophobicContact CE2-CZ3 4.34Å; F342-W370 HydrophobicContact CZ-CE3 4.19Å; F342-W370 AromaticContact CZ-CH2 3.37Å; F342-W370 HydrophobicContact CZ-CH2 3.37Å; F342-W370 AromaticContact CZ-CZ2 3.81Å; F342-W370 HydrophobicContact CZ-CZ2 3.81Å; F342-W370 AromaticContact CZ-CZ3 3.59Å; F342-W370 HydrophobicContact CZ-CZ3 3.59Å; F342-V374 HydrophobicContact CE2-CG1 4.46Å
343	L	88.8	Confident	82	Confident	11 Å²	11	20.3 Å²	20.3	6%	0.058	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-40.6	179.3	-76.1	-171.3	0	0	0	112.5	P230 L231 F232 F340 S345 L346 Q347 W408 F412	P230-L343 HydrophobicContact CB-CD1 3.93Å; P230-L343 HydrophobicContact CB-CD2 3.6Å; P230-L343 HydrophobicContact CB-CG 3.87Å; P230-L343 HydrophobicContact CG-CD1 4.3Å; P230-L343 HydrophobicContact CG-CD2 4.18Å; L231-L343 VanDerWaalsContact O-CD1 3.27Å; L231-L343 WeakPolarHBondContact O-CD1 3.46Å; F232-L343 HydrophobicContact CB-CD1 3.74Å; F340-L343 PolarHBondContact O-N 3.48Å; L343-S345 VanDerWaalsContact C-N 3.3Å; L343-S345 PolarHBondContact O-N 3.02Å; L343-L346 HydrophobicContact CD2-CD1 4.32Å; L343-L346 PolarHBondContact O-N 3.02Å; L343-L346 VanDerWaalsContact O-N 3.14Å; L343-Q347 WeakPolarHBondContact O-CB 3.21Å; L343-Q347 PolarHBondContact O-N 3.5Å; L343-W408 HydrophobicContact CB-CZ3 4.45Å; L343-W408 HydrophobicContact CD2-CZ3 4.42Å; L343-F412 HydrophobicContact CD2-CB 3.98Å; L343-F412 HydrophobicContact CD2-CD1 4.02Å; L343-F412 HydrophobicContact CD2-CG 4.08Å
344	E	86.2	Confident	82.3	Confident	49 Å²	49	17.2 Å²	17.2	23%	0.229	8%	0.078	C	C	.	.	H	α-helix	trans	-62.1	-38	178.1	-67.1	169.5	169	0	0	112	Y319 F340 R341 F342 Q348	Y319-E344 PolarHBondContact OH-OE2 3.47Å; F340-E344 WeakPolarHBondContact O-CG 3.33Å; F340-E344 PolarHBondContact O-N 3.06Å; R341-E344 IonicContact CZ-OE1 3.95Å; R341-E344 IonicContact CZ-OE2 3.05Å; R341-E344 IonicContact NE-OE1 3.85Å; R341-E344 IonicContact NE-OE2 2.86Å; R341-E344 PolarHBondContact NE-OE2 2.78Å; R341-E344 VanDerWaalsContact NH2-CD 3.29Å; R341-E344 IonicContact NH2-OE1 2.58Å; R341-E344 PolarHBondContact NH2-OE1 2.95Å; R341-E344 IonicContact NH2-OE2 3.29Å; R341-E344 PolarHBondContact NH2-OE2 3.09Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 3.48Å; E344-Q348 WeakPolarHBondContact O-CG 3.21Å; E344-Q348 PolarHBondContact O-N 3.4Å
345	S	86.6	Confident	82.8	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-66.3	-37.7	174.7	70.4	0	0	0	0	112.1	R341 F342 L343 A349	R341-S345 VanDerWaalsContact O-CB 3.31Å; R341-S345 WeakPolarHBondContact O-CB 3.45Å; R341-S345 PolarHBondContact O-N 3.04Å; R341-S345 PolarHBondContact O-OG 3.27Å; F342-S345 PolarHBondContact O-N 3.04Å; F342-S345 PolarHBondContact O-OG 2.82Å; L343-S345 VanDerWaalsContact C-N 3.3Å; L343-S345 PolarHBondContact O-N 3.02Å; S345-A349 PolarHBondContact O-N 2.67Å
346	L	85.1	Confident	83.4	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-45.4	176.8	-61.5	178.1	0	0	0	112	F342 L343 Q348 A349 P353 W370 T404 W408 F412	F342-L346 HydrophobicContact CD1-CD1 4.12Å; F342-L346 HydrophobicContact CE1-CD1 3.69Å; F342-L346 HydrophobicContact CZ-CD1 3.95Å; F342-L346 WeakPolarHBondContact O-CG 3.33Å; F342-L346 PolarHBondContact O-N 3.37Å; F342-L346 VanDerWaalsContact O-N 3.14Å; L343-L346 HydrophobicContact CD2-CD1 4.32Å; L343-L346 PolarHBondContact O-N 3.02Å; L343-L346 VanDerWaalsContact O-N 3.14Å; L346-Q348 PolarHBondContact O-N 3.18Å; L346-A349 PolarHBondContact O-N 2.84Å; L346-A349 VanDerWaalsContact O-N 3.1Å; L346-P353 HydrophobicContact CD2-CG 4.12Å; L346-W370 HydrophobicContact CD1-CH2 3.86Å; L346-W370 HydrophobicContact CD1-CZ3 4.2Å; L346-W370 HydrophobicContact CD2-CZ3 4.14Å; L346-T404 HydrophobicContact CB-CG2 4.15Å; L346-T404 HydrophobicContact CD2-CG2 3.52Å; L346-T404 HydrophobicContact CG-CG2 4.41Å; L346-W408 HydrophobicContact CB-CE3 4.1Å; L346-F412 HydrophobicContact CD1-CD2 3.95Å; L346-F412 HydrophobicContact CD1-CE2 4.23Å; L346-F412 HydrophobicContact CD1-CG 4.49Å
347	Q	78	Confident	83.4	Confident	39 Å²	39	14 Å²	14	18%	0.182	7%	0.068	C	C	.	.	H	α-helix	trans	-53	-37.9	177.1	179.6	172.9	6.7	0	0	112.4	E242 G244 W245 L343 W408	E242-Q347 PolarHBondContact OE2-NE2 3.13Å; G244-Q347 WeakPolarHBondContact CA-O 3.21Å; W245-Q347 PolarHBondContact N-O 3.33Å; L343-Q347 WeakPolarHBondContact O-CB 3.21Å; L343-Q347 PolarHBondContact O-N 3.5Å; Q347-W408 VanDerWaalsContact CA-CD2 3.4Å; Q347-W408 HydrophobicContact CB-CD2 3.97Å; Q347-W408 HydrophobicContact CB-CE3 3.97Å; Q347-W408 HydrophobicContact CB-CH2 3.5Å; Q347-W408 HydrophobicContact CB-CZ2 3.51Å; Q347-W408 HydrophobicContact CB-CZ3 3.74Å; Q347-W408 HydrophobicContact CG-CD2 4.49Å; Q347-W408 HydrophobicContact CG-CH2 3.78Å; Q347-W408 HydrophobicContact CG-CZ2 3.36Å; Q347-W408 HydrophobicContact CG-CZ3 4.5Å
348	Q	67.3	Low	83.6	Confident	17 Å²	17	16.7 Å²	16.7	8%	0.079	8%	0.083	C	C	.	.	H	α-helix	trans	-78.7	-27.4	-174.1	-68.1	-74.9	-8.3	0	0	111.7	L323 E344 L346 A350	L323-Q348 HydrophobicContact CD1-CB 4.5Å; L323-Q348 HydrophobicContact CD1-CG 4.27Å; L323-Q348 HydrophobicContact CD2-CG 3.52Å; L323-Q348 HydrophobicContact CG-CB 4.26Å; L323-Q348 HydrophobicContact CG-CG 3.66Å; E344-Q348 WeakPolarHBondContact O-CG 3.21Å; E344-Q348 PolarHBondContact O-N 3.4Å; L346-Q348 PolarHBondContact O-N 3.18Å; Q348-A350 PolarHBondContact O-N 3.05Å
349	A	59.1	Low	83.6	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	48.8	-7.1	-175.7	0	0	0	0	0	116.9	L246 S345 L346 R401 T404 Q405	L246-A349 HydrophobicContact CB-CB 3.78Å; S345-A349 PolarHBondContact O-N 2.67Å; L346-A349 PolarHBondContact O-N 2.84Å; L346-A349 VanDerWaalsContact O-N 3.1Å; A349-R401 WeakPolarHBondContact O-CB 3.25Å; A349-R401 WeakPolarHBondContact O-CG 3.26Å; A349-T404 HydrophobicContact CB-CG2 4.49Å; A349-Q405 HydrophobicContact CB-CB 3.7Å; A349-Q405 HydrophobicContact CB-CG 4.31Å
350	A	59.9	Low	83.8	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.008	10%	0.096	C	C	.	.	S	Bend	trans	-80.2	-27.2	170.4	0	0	0	0	0	111.7	R255 Q348 R401	R255-A350 VanDerWaalsContact NH2-CB 3.28Å; Q348-A350 PolarHBondContact O-N 3.05Å; A350-R401 VanDerWaalsContact O-CZ 3.25Å; A350-R401 PolarHBondContact O-NE 3.08Å; A350-R401 PolarHBondContact O-NH2 3.42Å
351	C	82.5	Confident	84	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-115.2	105.9	-173.1	-148	0	0	0	0	110.7	L323 T327 F328 C329	L323-C351 HydrophobicContact CD1-CB 3.95Å; T327-C351 WeakPolarHBondContact O-CA 3.43Å; F328-C351 PolarHBondContact O-SG 3.5Å; F328-C351 VanDerWaalsContact O-SG 3.38Å; C329-C351 WeakPolarHBondContact CA-SG 3.21Å; C329-C351 HydrophobicContact CB-CB 3.89Å; C329-C351 WeakPolarHBondContact CB-SG 3.48Å; C329-C351 PolarHBondContact N-SG 3.03Å; C329-C351 WeakPolarHBondContact SG-CB 3.47Å; C329-C351 CovalentContact SG-SG 2.01Å; C329-C351 PolarHBondContact SG-SG 3.18Å
352	I	89.8	Confident	84.2	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.4	-179	-63.2	159.4	0	0	0	108.9	T327 F328 C329 V354 I375 V397 L400 R401	T327-I352 PolarHBondContact O-N 3.45Å; F328-I352 CarbonylContact C-O 3.53Å; F328-I352 WeakPolarHBondContact CA-O 3.47Å; F328-I352 HydrophobicContact CD1-CB 3.65Å; F328-I352 HydrophobicContact CD1-CD1 4.14Å; F328-I352 HydrophobicContact CD1-CG1 4.5Å; F328-I352 HydrophobicContact CD1-CG2 3.94Å; F328-I352 HydrophobicContact CE1-CB 3.94Å; F328-I352 HydrophobicContact CE1-CD1 3.63Å; F328-I352 HydrophobicContact CE1-CG1 4.41Å; F328-I352 HydrophobicContact CE1-CG2 4.03Å; F328-I352 HydrophobicContact CZ-CD1 4.23Å; C329-I352 PolarHBondContact N-O 2.78Å; I352-V354 PolarHBondContact O-N 3.13Å; I352-I375 HydrophobicContact CG2-CG1 4.46Å; I352-V397 HydrophobicContact CD1-CB 4.22Å; I352-V397 HydrophobicContact CD1-CG1 3.75Å; I352-V397 HydrophobicContact CD1-CG2 4.49Å; I352-L400 HydrophobicContact CD1-CB 3.67Å; I352-L400 HydrophobicContact CD1-CD1 4.07Å; I352-L400 HydrophobicContact CG1-CB 3.87Å; I352-L400 HydrophobicContact CG2-CB 4.06Å; I352-L400 HydrophobicContact CG2-CD1 3.94Å; I352-R401 HydrophobicContact CD1-CG 4.06Å; I352-R401 HydrophobicContact CG1-CG 3.82Å
353	P	92.6	Very high	84.3	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.7	178.3	24.9	-33.2	0	0	0	111.9	C329 V331 L346 L355 V374 I375	C329-P353 CarbonylContact O-C 3.57Å; C329-P353 WeakPolarHBondContact O-CA 3.41Å; V331-P353 HydrophobicContact CG2-CB 4.04Å; L346-P353 HydrophobicContact CD2-CG 4.12Å; P353-L355 HydrophobicContact CB-CD2 4.45Å; P353-V374 HydrophobicContact CG-CB 4.02Å; P353-V374 HydrophobicContact CG-CG1 3.65Å; P353-I375 PolarHBondContact O-N 3.33Å
354	V	93.4	Very high	84.6	Confident	2 Å²	2	14.8 Å²	14.8	1%	0.012	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	103.4	168.2	-177.7	0	0	0	0	107.3	L259 F328 C329 L330 V331 I352 I375 V385 V389	L259-V354 HydrophobicContact CD1-CG2 4.23Å; F328-V354 HydrophobicContact CB-CG2 3.92Å; F328-V354 HydrophobicContact CD1-CG2 4.03Å; F328-V354 HydrophobicContact CG-CG2 4.33Å; C329-V354 PolarHBondContact O-N 2.8Å; L330-V354 HydrophobicContact CD1-CG1 4.35Å; V331-V354 PolarHBondContact N-O 3.12Å; I352-V354 PolarHBondContact O-N 3.13Å; V354-I375 CarbonylContact C-O 3.52Å; V354-I375 VanDerWaalsContact CA-O 3.29Å; V354-I375 WeakPolarHBondContact CA-O 3.27Å; V354-I375 HydrophobicContact CG1-CG2 4.42Å; V354-I375 HydrophobicContact CG2-CB 4.29Å; V354-V385 HydrophobicContact CG1-CG1 3.88Å; V354-V389 HydrophobicContact CG2-CG1 3.97Å
355	L	92.2	Very high	84.7	Confident	10 Å²	10	13.9 Å²	13.9	5%	0.052	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.4	-174.2	-59.4	177.7	0	0	0	110.6	V331 F342 P353 W360 L362 V374 I375 E376 G377	V331-L355 HydrophobicContact CB-CD2 3.95Å; V331-L355 HydrophobicContact CG1-CD2 4.11Å; V331-L355 HydrophobicContact CG2-CD2 4.42Å; F342-L355 HydrophobicContact CD2-CD2 3.74Å; F342-L355 HydrophobicContact CE2-CD2 3.9Å; P353-L355 HydrophobicContact CB-CD2 4.45Å; L355-W360 HydrophobicContact CD2-CZ3 3.97Å; L355-L362 HydrophobicContact CD1-CD1 3.68Å; L355-L362 HydrophobicContact CD1-CD2 3.64Å; L355-L362 HydrophobicContact CD1-CG 4.22Å; L355-V374 HydrophobicContact CD1-CB 4.1Å; L355-V374 HydrophobicContact CD1-CG1 4.44Å; L355-V374 HydrophobicContact CD1-CG2 3.61Å; L355-V374 HydrophobicContact CG-CB 4.34Å; L355-V374 HydrophobicContact CG-CG2 4.28Å; L355-I375 PolarHBondContact N-O 2.8Å; L355-E376 HydrophobicContact CD1-CG 4.09Å; L355-G377 WeakPolarHBondContact O-CA 3.39Å; L355-G377 PolarHBondContact O-N 2.77Å; L355-G377 VanDerWaalsContact O-O 3.13Å
356	L	89.3	Confident	84.6	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	70.1	171.5	-65.5	175	0	0	0	108.6	L330 V331 P332 R333 E379 L382 V385	L330-L356 HydrophobicContact CD1-CD1 3.69Å; L330-L356 HydrophobicContact CD1-CG 4.46Å; L330-L356 HydrophobicContact CD2-CD1 3.78Å; L330-L356 HydrophobicContact CG-CD1 3.77Å; V331-L356 PolarHBondContact O-N 3.34Å; P332-L356 CarbonylContact C-O 3.41Å; P332-L356 WeakPolarHBondContact CA-O 3.21Å; P332-L356 HydrophobicContact CB-CB 4.44Å; R333-L356 PolarHBondContact N-O 3.47Å; L356-E379 HydrophobicContact CB-CG 4.4Å; L356-L382 HydrophobicContact CD1-CD1 3.49Å; L356-L382 VanDerWaalsContact CD1-CD1 3.49Å; L356-V385 HydrophobicContact CD2-CG2 4.01Å
357	S	86.6	Confident	84.8	Confident	17 Å²	17	17.1 Å²	17.1	12%	0.119	10%	0.098	C	C	.	.			trans	-149.1	92	179.4	-164.5	0	0	0	0	108.6	L337 W360 E379	L337-S357 PolarHBondContact O-OG 3.35Å; S357-W360 PolarHBondContact O-N 3.08Å; S357-E379 VanDerWaalsContact CA-OE1 3.31Å; S357-E379 WeakPolarHBondContact CA-OE1 3.49Å
358	N	86.6	Confident	85.4	Confident	65 Å²	65	15.5 Å²	15.5	35%	0.348	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	134.6	-174.9	-70.1	-8.1	0	0	0	109.9	W360 D378 E379	N358-W360 VanDerWaalsContact C-N 3.31Å; N358-W360 PolarHBondContact O-N 3.02Å; N358-D378 PolarHBondContact ND2-OD1 3.37Å; N358-E379 PolarHBondContact N-OE1 2.85Å; N358-E379 PolarHBondContact OD1-N 2.48Å
359	G	83.8	Confident	86.3	Confident	31 Å²	31	15.7 Å²	15.7	32%	0.32	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.3	179.1	0	0	0	0	0	115	N217 T218	N217-G359 WeakPolarHBondContact CA-O 3.27Å; N217-G359 PolarHBondContact OD1-O 2.87Å; T218-G359 WeakPolarHBondContact CG2-O 3.47Å; T218-G359 PolarHBondContact N-O 2.89Å; T218-G359 PolarHBondContact OG1-O 2.73Å
360	W	88.6	Confident	87.7	Confident	24 Å²	24	16.2 Å²	16.2	9%	0.091	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-82.4	121.5	175.2	-178.2	26.6	0	0	0	112	L337 F342 L355 S357 N358 L362 P363	L337-W360 HydrophobicContact CB-CB 4.02Å; L337-W360 HydrophobicContact CB-CG 3.99Å; F342-W360 HydrophobicContact CB-CH2 3.91Å; F342-W360 HydrophobicContact CB-CZ3 4.5Å; F342-W360 AromaticContact CD1-CH2 3.88Å; F342-W360 HydrophobicContact CD1-CH2 3.88Å; F342-W360 AromaticContact CD2-CH2 3.89Å; F342-W360 HydrophobicContact CD2-CH2 3.89Å; F342-W360 HydrophobicContact CD2-CZ3 4.1Å; F342-W360 HydrophobicContact CE1-CH2 4.31Å; F342-W360 HydrophobicContact CE2-CH2 4.32Å; F342-W360 AromaticContact CG-CH2 3.62Å; F342-W360 HydrophobicContact CG-CH2 3.62Å; F342-W360 HydrophobicContact CG-CZ3 4.25Å; F342-W360 HydrophobicContact CZ-CH2 4.5Å; L355-W360 HydrophobicContact CD2-CZ3 3.97Å; S357-W360 PolarHBondContact O-N 3.08Å; N358-W360 VanDerWaalsContact C-N 3.31Å; N358-W360 PolarHBondContact O-N 3.02Å; W360-L362 HydrophobicContact CD2-CD2 4.01Å; W360-L362 HydrophobicContact CE3-CD2 3.61Å; W360-L362 HydrophobicContact CH2-CD2 3.8Å; W360-L362 HydrophobicContact CZ2-CD2 4.16Å; W360-L362 HydrophobicContact CZ3-CD2 3.51Å; W360-L362 PolarHBondContact O-N 2.9Å; W360-P363 HydrophobicContact CZ2-CG 4.33Å
361	E	89.7	Confident	88.9	Confident	41 Å²	41	19.9 Å²	19.9	19%	0.192	11%	0.113	C	C	.	.			trans	-77.7	114.2	170.7	-167.7	64.7	-137.6	0	0	110.5	L216 T218 F221 S228 S365	L216-E361 HydrophobicContact CB-CB 4.27Å; L216-E361 PolarHBondContact O-N 2.86Å; T218-E361 HydrophobicContact CG2-CB 4.49Å; T218-E361 WeakPolarHBondContact CG2-OE2 3.47Å; F221-E361 HydrophobicContact CD1-CG 3.84Å; F221-E361 HydrophobicContact CD2-CG 4.5Å; F221-E361 HydrophobicContact CE1-CG 3.84Å; F221-E361 HydrophobicContact CE2-CG 4.49Å; F221-E361 HydrophobicContact CG-CG 4.18Å; F221-E361 HydrophobicContact CZ-CG 4.18Å; S228-E361 PolarHBondContact OG-O 2.83Å; E361-S365 WeakPolarHBondContact OE1-CB 3.34Å; E361-S365 PolarHBondContact OE1-OG 3.4Å
362	L	91.6	Very high	89	Confident	11 Å²	11	20.6 Å²	20.6	6%	0.058	12%	0.116	C	C	.	.			trans	-68.5	151.8	-175.6	-68.1	174.7	0	0	0	112.7	S228 F342 L355 W360 F364 S365 W370 V374	S228-L362 WeakPolarHBondContact CB-O 3.35Å; S228-L362 PolarHBondContact OG-O 3.23Å; F342-L362 HydrophobicContact CE2-CD2 4.18Å; F342-L362 HydrophobicContact CZ-CD2 4.19Å; L355-L362 HydrophobicContact CD1-CD1 3.68Å; L355-L362 HydrophobicContact CD1-CD2 3.64Å; L355-L362 HydrophobicContact CD1-CG 4.22Å; W360-L362 HydrophobicContact CD2-CD2 4.01Å; W360-L362 HydrophobicContact CE3-CD2 3.61Å; W360-L362 HydrophobicContact CH2-CD2 3.8Å; W360-L362 HydrophobicContact CZ2-CD2 4.16Å; W360-L362 HydrophobicContact CZ3-CD2 3.51Å; W360-L362 PolarHBondContact O-N 2.9Å; L362-F364 PolarHBondContact O-N 3.24Å; L362-S365 WeakPolarHBondContact O-CB 3.29Å; L362-S365 PolarHBondContact O-N 3.37Å; L362-S365 PolarHBondContact O-OG 3.21Å; L362-W370 VanDerWaalsContact CB-CD1 3.4Å; L362-W370 HydrophobicContact CB-CD2 4.29Å; L362-W370 HydrophobicContact CB-CG 3.93Å; L362-W370 HydrophobicContact CD1-CB 3.47Å; L362-W370 VanDerWaalsContact CD1-CB 3.47Å; L362-W370 HydrophobicContact CD1-CD2 4.02Å; L362-W370 HydrophobicContact CD1-CG 3.45Å; L362-W370 VanDerWaalsContact CD1-CG 3.45Å; L362-W370 HydrophobicContact CG-CG 4.33Å; L362-V374 HydrophobicContact CD1-CG2 4.43Å
363	P	93.6	Very high	88.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	129.5	-177.3	-27.7	37.9	0	0	0	112.6	S228 P230 F342 W360 S365 W370 F412	S228-P363 CarbonylContact O-C 3.42Å; S228-P363 WeakPolarHBondContact O-CA 3.22Å; P230-P363 HydrophobicContact CB-CB 4.08Å; P230-P363 HydrophobicContact CB-CG 3.8Å; F342-P363 HydrophobicContact CD1-CG 4.32Å; F342-P363 HydrophobicContact CE1-CG 3.78Å; W360-P363 HydrophobicContact CZ2-CG 4.33Å; P363-S365 PolarHBondContact O-N 3.35Å; P363-W370 HydrophobicContact CB-CZ2 4.37Å; P363-W370 VanDerWaalsContact O-CE2 3.32Å; P363-W370 VanDerWaalsContact O-CZ2 3.28Å; P363-W370 WeakPolarHBondContact O-CZ2 3.38Å; P363-W370 PolarHBondContact O-NE1 3.43Å; P363-F412 HydrophobicContact CB-CE1 3.96Å; P363-F412 HydrophobicContact CB-CZ 4.12Å
364	F	93.6	Very high	88.8	Confident	2 Å²	2	21 Å²	21	1%	0.009	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	29.7	-179.8	-46.6	-52	0	0	0	114.9	V227 S228 I229 L362 D366 V367 I368 F412 I418 T421 T422 I425	V227-F364 HydrophobicContact CG1-CD1 3.82Å; V227-F364 HydrophobicContact CG1-CE1 3.92Å; S228-F364 WeakPolarHBondContact O-CD1 3.39Å; S228-F364 PolarHBondContact O-N 3.05Å; I229-F364 HydrophobicContact CG2-CE1 3.9Å; I229-F364 HydrophobicContact CG2-CZ 4.33Å; L362-F364 PolarHBondContact O-N 3.24Å; F364-D366 PolarHBondContact O-N 2.87Å; F364-D366 VanDerWaalsContact O-N 3.09Å; F364-V367 HydrophobicContact CB-CG2 4.1Å; F364-V367 PolarHBondContact O-N 2.97Å; F364-I368 HydrophobicContact CB-CD1 3.78Å; F364-I368 HydrophobicContact CB-CG1 4.01Å; F364-I368 HydrophobicContact CD2-CD1 4.04Å; F364-I368 HydrophobicContact CG-CD1 4.42Å; F364-I368 PolarHBondContact O-N 3.35Å; F364-F412 AromaticContact CD2-CE1 3.58Å; F364-F412 HydrophobicContact CD2-CE1 3.58Å; F364-F412 AromaticContact CD2-CZ 3.72Å; F364-F412 HydrophobicContact CD2-CZ 3.72Å; F364-F412 HydrophobicContact CE2-CD1 4.27Å; F364-F412 AromaticContact CE2-CE1 3.51Å; F364-F412 HydrophobicContact CE2-CE1 3.51Å; F364-F412 HydrophobicContact CE2-CZ 4.12Å; F364-I418 HydrophobicContact CZ-CG2 4.02Å; F364-I418 WeakPolarHBondContact CZ-O 3.32Å; F364-T421 HydrophobicContact CD1-CG2 4.07Å; F364-T421 HydrophobicContact CD2-CG2 3.76Å; F364-T421 HydrophobicContact CE1-CG2 4.02Å; F364-T421 HydrophobicContact CE2-CG2 3.71Å; F364-T421 HydrophobicContact CG-CG2 3.94Å; F364-T421 HydrophobicContact CZ-CG2 3.84Å; F364-T422 WeakPolarHBondContact CE1-OG1 3.39Å; F364-I425 HydrophobicContact CB-CD1 3.9Å; F364-I425 HydrophobicContact CD1-CD1 3.38Å; F364-I425 HydrophobicContact CE1-CD1 4.12Å; F364-I425 HydrophobicContact CG-CD1 3.88Å
365	S	88.5	Confident	88.6	Confident	30 Å²	30	22.2 Å²	22.2	21%	0.21	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-27.3	177.9	53.6	0	0	0	0	114.9	E361 L362 P363 V367	E361-S365 WeakPolarHBondContact OE1-CB 3.34Å; E361-S365 PolarHBondContact OE1-OG 3.4Å; L362-S365 WeakPolarHBondContact O-CB 3.29Å; L362-S365 PolarHBondContact O-N 3.37Å; L362-S365 PolarHBondContact O-OG 3.21Å; P363-S365 PolarHBondContact O-N 3.35Å; S365-V367 PolarHBondContact O-N 3.44Å
366	D	84.5	Confident	88.5	Confident	51 Å²	51	28 Å²	28	27%	0.273	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.6	172.3	-79.6	33.8	0	0	0	113.6	F364 R429	F364-D366 PolarHBondContact O-N 2.87Å; F364-D366 VanDerWaalsContact O-N 3.09Å; D366-R429 IonicContact OD2-CZ 2.82Å; D366-R429 IonicContact OD2-NE 3.82Å; D366-R429 IonicContact OD2-NH2 2.66Å; D366-R429 PolarHBondContact OD2-NH2 3.12Å
367	V	89.6	Confident	88.3	Confident	18 Å²	18	29 Å²	29	11%	0.109	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-28.7	-173.9	-60.6	0	0	0	0	113.4	F364 S365 I425 W441 N442	F364-V367 HydrophobicContact CB-CG2 4.1Å; F364-V367 PolarHBondContact O-N 2.97Å; S365-V367 PolarHBondContact O-N 3.44Å; V367-I425 HydrophobicContact CG1-CG1 4.04Å; V367-I425 HydrophobicContact CG2-CD1 3.73Å; V367-I425 HydrophobicContact CG2-CG1 3.92Å; V367-W441 HydrophobicContact CB-CB 4.16Å; V367-W441 HydrophobicContact CB-CD2 3.89Å; V367-W441 HydrophobicContact CB-CE3 4.44Å; V367-W441 HydrophobicContact CB-CG 3.74Å; V367-W441 HydrophobicContact CG1-CD2 4.28Å; V367-W441 HydrophobicContact CG1-CG 4.29Å; V367-W441 HydrophobicContact CG2-CD2 3.98Å; V367-W441 HydrophobicContact CG2-CE3 4.02Å; V367-W441 HydrophobicContact CG2-CG 4.27Å; V367-N442 PolarHBondContact O-ND2 3.48Å
368	I	90.3	Very high	88.3	Confident	5 Å²	5	30 Å²	30	3%	0.026	17%	0.166	C	C	.	.			trans	-91.7	130.9	179.9	-61.8	-178.1	0	0	0	110.5	F364 W370 L407 Y411 F412	F364-I368 HydrophobicContact CB-CD1 3.78Å; F364-I368 HydrophobicContact CB-CG1 4.01Å; F364-I368 HydrophobicContact CD2-CD1 4.04Å; F364-I368 HydrophobicContact CG-CD1 4.42Å; F364-I368 PolarHBondContact O-N 3.35Å; I368-W370 HydrophobicContact CD1-CZ2 4.27Å; I368-W370 HydrophobicContact CG2-CD2 3.87Å; I368-W370 HydrophobicContact CG2-CE3 4.34Å; I368-W370 HydrophobicContact CG2-CG 4.17Å; I368-W370 HydrophobicContact CG2-CZ2 4.12Å; I368-W370 PolarHBondContact O-N 3.1Å; I368-L407 HydrophobicContact CD1-CD2 4.23Å; I368-L407 HydrophobicContact CG1-CD2 4.38Å; I368-L407 HydrophobicContact CG2-CD1 3.8Å; I368-L407 HydrophobicContact CG2-CD2 3.77Å; I368-L407 HydrophobicContact CG2-CG 4.45Å; I368-Y411 HydrophobicContact CD1-CD2 3.77Å; I368-Y411 HydrophobicContact CD1-CE2 4.29Å; I368-Y411 HydrophobicContact CD1-CG 4.39Å; I368-Y411 HydrophobicContact CG1-CD2 4.4Å; I368-Y411 HydrophobicContact CG1-CE2 4.44Å; I368-F412 HydrophobicContact CD1-CE2 3.96Å; I368-F412 HydrophobicContact CD1-CZ 3.78Å
369	Q	86.8	Confident	88.3	Confident	21 Å²	21	28.4 Å²	28.4	10%	0.098	16%	0.157	C	C	.	.			trans	-90.5	89.4	174.8	-67.2	-164.9	12.5	0	0	111.8	L64 N371 Q372 N442	L64-Q369 HydrophobicContact CD2-CG 4.35Å; Q369-N371 VanDerWaalsContact C-N 3.33Å; Q369-N371 PolarHBondContact O-N 3.32Å; Q369-Q372 PolarHBondContact O-N 3.44Å; Q369-Q372 VanDerWaalsContact OE1-NE2 3.17Å; Q369-N442 PolarHBondContact N-OD1 3.19Å
370	W	87.6	Confident	88.5	Confident	11 Å²	11	36.8 Å²	36.8	4%	0.042	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-67.9	-27.1	-175.9	-72.2	110	0	0	0	114.7	F342 L346 L362 P363 I368 Q372 A373 V374 L407 F412	F342-W370 AromaticContact CE1-CH2 3.79Å; F342-W370 HydrophobicContact CE1-CH2 3.79Å; F342-W370 HydrophobicContact CE1-CZ2 4.13Å; F342-W370 HydrophobicContact CE1-CZ3 4.42Å; F342-W370 HydrophobicContact CE2-CH2 4.48Å; F342-W370 HydrophobicContact CE2-CZ3 4.34Å; F342-W370 HydrophobicContact CZ-CE3 4.19Å; F342-W370 AromaticContact CZ-CH2 3.37Å; F342-W370 HydrophobicContact CZ-CH2 3.37Å; F342-W370 AromaticContact CZ-CZ2 3.81Å; F342-W370 HydrophobicContact CZ-CZ2 3.81Å; F342-W370 AromaticContact CZ-CZ3 3.59Å; F342-W370 HydrophobicContact CZ-CZ3 3.59Å; L346-W370 HydrophobicContact CD1-CH2 3.86Å; L346-W370 HydrophobicContact CD1-CZ3 4.2Å; L346-W370 HydrophobicContact CD2-CZ3 4.14Å; L362-W370 VanDerWaalsContact CB-CD1 3.4Å; L362-W370 HydrophobicContact CB-CD2 4.29Å; L362-W370 HydrophobicContact CB-CG 3.93Å; L362-W370 HydrophobicContact CD1-CB 3.47Å; L362-W370 VanDerWaalsContact CD1-CB 3.47Å; L362-W370 HydrophobicContact CD1-CD2 4.02Å; L362-W370 HydrophobicContact CD1-CG 3.45Å; L362-W370 VanDerWaalsContact CD1-CG 3.45Å; L362-W370 HydrophobicContact CG-CG 4.33Å; P363-W370 HydrophobicContact CB-CZ2 4.37Å; P363-W370 VanDerWaalsContact O-CE2 3.32Å; P363-W370 VanDerWaalsContact O-CZ2 3.28Å; P363-W370 WeakPolarHBondContact O-CZ2 3.38Å; P363-W370 PolarHBondContact O-NE1 3.43Å; I368-W370 HydrophobicContact CD1-CZ2 4.27Å; I368-W370 HydrophobicContact CG2-CD2 3.87Å; I368-W370 HydrophobicContact CG2-CE3 4.34Å; I368-W370 HydrophobicContact CG2-CG 4.17Å; I368-W370 HydrophobicContact CG2-CZ2 4.12Å; I368-W370 PolarHBondContact O-N 3.1Å; W370-Q372 PolarHBondContact O-N 3.45Å; W370-A373 HydrophobicContact CE3-CB 4.16Å; W370-A373 PolarHBondContact O-N 2.93Å; W370-V374 HydrophobicContact CB-CG2 4.35Å; W370-V374 HydrophobicContact CE3-CG1 3.58Å; W370-V374 HydrophobicContact CZ3-CG1 4.11Å; W370-V374 WeakPolarHBondContact O-CG2 3.25Å; W370-V374 PolarHBondContact O-N 2.62Å; W370-L407 HydrophobicContact CE3-CD1 4.06Å; W370-L407 HydrophobicContact CH2-CD1 4.24Å; W370-L407 HydrophobicContact CZ3-CD1 3.73Å; W370-F412 AromaticContact CH2-CE2 3.54Å; W370-F412 HydrophobicContact CH2-CE2 3.54Å; W370-F412 AromaticContact CH2-CZ 3.82Å; W370-F412 HydrophobicContact CH2-CZ 3.82Å; W370-F412 AromaticContact CZ2-CE2 3.88Å; W370-F412 HydrophobicContact CZ2-CE2 3.88Å; W370-F412 AromaticContact CZ2-CZ 3.69Å; W370-F412 HydrophobicContact CZ2-CZ 3.69Å
371	N	85.3	Confident	88.5	Confident	78 Å²	78	39.5 Å²	39.5	42%	0.417	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57.1	-17.6	174.2	66.9	-23.2	0	0	0	114	Q369 R396	Q369-N371 VanDerWaalsContact C-N 3.33Å; Q369-N371 PolarHBondContact O-N 3.32Å; N371-R396 PolarHBondContact O-NH2 2.86Å
372	Q	84.9	Confident	88.5	Confident	15 Å²	15	38 Å²	38	7%	0.07	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-97.8	-4.2	176.3	-56.6	-168.7	10.1	0	0	114	Q369 W370 L400 R403	Q369-Q372 PolarHBondContact O-N 3.44Å; Q369-Q372 VanDerWaalsContact OE1-NE2 3.17Å; W370-Q372 PolarHBondContact O-N 3.45Å; Q372-L400 WeakPolarHBondContact O-CD2 3.35Å; Q372-R403 VanDerWaalsContact O-CG 3.29Å; Q372-R403 WeakPolarHBondContact O-CG 3.47Å
373	A	86.9	Confident	88.4	Confident	1 Å²	1	43 Å²	43	1%	0.008	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-26.8	-174.8	0	0	0	0	0	113.9	W370 R403 T404 L407	W370-A373 HydrophobicContact CE3-CB 4.16Å; W370-A373 PolarHBondContact O-N 2.93Å; A373-R403 HydrophobicContact CB-CB 4.07Å; A373-T404 PolarHBondContact O-OG1 3.17Å; A373-L407 HydrophobicContact CB-CD1 3.66Å
374	V	90.5	Very high	88.3	Confident	8 Å²	8	48.3 Å²	48.3	5%	0.048	24%	0.238	C	C	.	.			trans	-122.9	164.7	-174.6	-43.6	0	0	0	0	112	F342 P353 L355 L362 W370 E376	F342-V374 HydrophobicContact CE2-CG1 4.46Å; P353-V374 HydrophobicContact CG-CB 4.02Å; P353-V374 HydrophobicContact CG-CG1 3.65Å; L355-V374 HydrophobicContact CD1-CB 4.1Å; L355-V374 HydrophobicContact CD1-CG1 4.44Å; L355-V374 HydrophobicContact CD1-CG2 3.61Å; L355-V374 HydrophobicContact CG-CB 4.34Å; L355-V374 HydrophobicContact CG-CG2 4.28Å; L362-V374 HydrophobicContact CD1-CG2 4.43Å; W370-V374 HydrophobicContact CB-CG2 4.35Å; W370-V374 HydrophobicContact CE3-CG1 3.58Å; W370-V374 HydrophobicContact CZ3-CG1 4.11Å; W370-V374 WeakPolarHBondContact O-CG2 3.25Å; W370-V374 PolarHBondContact O-N 2.62Å; V374-E376 HydrophobicContact CG2-CG 4.01Å
375	I	90.6	Very high	88.2	Confident	27 Å²	27	48.6 Å²	48.6	14%	0.138	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.3	166.1	-62.2	178	0	0	0	107.3	F328 I352 P353 V354 L355 V392 L400	F328-I375 HydrophobicContact CD1-CD1 3.9Å; F328-I375 HydrophobicContact CE1-CD1 3.42Å; F328-I375 VanDerWaalsContact CE1-CD1 3.42Å; F328-I375 HydrophobicContact CZ-CD1 4.26Å; I352-I375 HydrophobicContact CG2-CG1 4.46Å; P353-I375 PolarHBondContact O-N 3.33Å; V354-I375 CarbonylContact C-O 3.52Å; V354-I375 VanDerWaalsContact CA-O 3.29Å; V354-I375 WeakPolarHBondContact CA-O 3.27Å; V354-I375 HydrophobicContact CG1-CG2 4.42Å; V354-I375 HydrophobicContact CG2-CB 4.29Å; L355-I375 PolarHBondContact N-O 2.8Å; I375-V392 HydrophobicContact CD1-CG2 3.9Å; I375-L400 HydrophobicContact CD1-CD1 4.28Å; I375-L400 HydrophobicContact CG1-CD1 4.18Å
376	E	88.6	Confident	88.3	Confident	133 Å²	133	47.7 Å²	47.7	62%	0.621	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.3	175.4	-69.1	171.5	-162.8	0	0	109.5	L355 V374	L355-E376 HydrophobicContact CD1-CG 4.09Å; V374-E376 HydrophobicContact CG2-CG 4.01Å
377	G	86.3	Confident	88.7	Confident	20 Å²	20	49.1 Å²	49.1	21%	0.206	25%	0.248	C	C	.	.			trans	-118.5	144.9	172.8	0	0	0	0	0	110.5	L355	L355-G377 WeakPolarHBondContact O-CA 3.39Å; L355-G377 PolarHBondContact O-N 2.77Å; L355-G377 VanDerWaalsContact O-O 3.13Å
378	D	87.2	Confident	88.7	Confident	38 Å²	38	51.7 Å²	51.7	20%	0.203	26%	0.264	C	S	.	.			trans	-77.5	130	171.9	-168.8	-31.3	0	0	0	109.6	N358 R380 L381	N358-D378 PolarHBondContact ND2-OD1 3.37Å; D378-R380 PolarHBondContact O-N 2.49Å; D378-R380 VanDerWaalsContact O-N 3.12Å; D378-R380 WeakPolarHBondContact OD1-CB 3.45Å; D378-R380 WeakPolarHBondContact OD1-CG 3.32Å; D378-R380 PolarHBondContact OD1-N 2.58Å; D378-R380 IonicContact OD1-NE 3.89Å; D378-R380 PolarHBondContact OD1-NE 3.09Å; D378-R380 VanDerWaalsContact OD1-NE 3.13Å; D378-R380 IonicContact OD2-CZ 2.67Å; D378-R380 VanDerWaalsContact OD2-CZ 3.24Å; D378-R380 IonicContact OD2-NE 3.84Å; D378-R380 PolarHBondContact OD2-NE 2.9Å; D378-R380 IonicContact OD2-NH2 3.31Å; D378-R380 PolarHBondContact OD2-NH2 3.34Å; D378-L381 HydrophobicContact CB-CB 4.25Å; D378-L381 HydrophobicContact CB-CD1 4.21Å; D378-L381 HydrophobicContact CB-CG 4.15Å; D378-L381 PolarHBondContact O-N 3.25Å
379	E	86	Confident	88.8	Confident	32 Å²	32	51.5 Å²	51.5	15%	0.15	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-52.4	-33.3	175.1	-67.6	-172	-130.4	0	0	112.7	T274 L356 S357 N358 L381	T274-E379 HydrophobicContact CG2-CG 4.35Å; T274-E379 PolarHBondContact OG1-OE2 3.16Å; L356-E379 HydrophobicContact CB-CG 4.4Å; S357-E379 VanDerWaalsContact CA-OE1 3.31Å; S357-E379 WeakPolarHBondContact CA-OE1 3.49Å; N358-E379 PolarHBondContact N-OE1 2.85Å; N358-E379 PolarHBondContact OD1-N 2.48Å; E379-L381 VanDerWaalsContact C-N 3.27Å; E379-L381 PolarHBondContact O-N 3.19Å
380	R	87.3	Confident	89	Confident	207 Å²	207	55.5 Å²	55.5	78%	0.781	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-71	-21.8	179.3	-58.9	174.7	-66.3	174	0.6	113.2	D378	D378-R380 PolarHBondContact O-N 2.49Å; D378-R380 VanDerWaalsContact O-N 3.12Å; D378-R380 WeakPolarHBondContact OD1-CB 3.45Å; D378-R380 WeakPolarHBondContact OD1-CG 3.32Å; D378-R380 PolarHBondContact OD1-N 2.58Å; D378-R380 IonicContact OD1-NE 3.89Å; D378-R380 PolarHBondContact OD1-NE 3.09Å; D378-R380 VanDerWaalsContact OD1-NE 3.13Å; D378-R380 IonicContact OD2-CZ 2.67Å; D378-R380 VanDerWaalsContact OD2-CZ 3.24Å; D378-R380 IonicContact OD2-NE 3.84Å; D378-R380 PolarHBondContact OD2-NE 2.9Å; D378-R380 IonicContact OD2-NH2 3.31Å; D378-R380 PolarHBondContact OD2-NH2 3.34Å
381	L	89	Confident	89.3	Confident	80 Å²	80	58.8 Å²	58.8	42%	0.419	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-109	25.1	-175.1	-59.1	-179.8	0	0	0	112.3	D378 E379 L383 Q384	D378-L381 HydrophobicContact CB-CB 4.25Å; D378-L381 HydrophobicContact CB-CD1 4.21Å; D378-L381 HydrophobicContact CB-CG 4.15Å; D378-L381 PolarHBondContact O-N 3.25Å; E379-L381 VanDerWaalsContact C-N 3.27Å; E379-L381 PolarHBondContact O-N 3.19Å; L381-L383 PolarHBondContact O-N 3.18Å; L381-Q384 WeakPolarHBondContact O-CB 3.07Å; L381-Q384 PolarHBondContact O-N 2.97Å
382	L	88.8	Confident	89.5	Confident	9 Å²	9	55.9 Å²	55.9	5%	0.047	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-46.5	-41.7	-178.9	174	65.8	0	0	0	113.6	A277 L278 I281 L356 Q384 V385	A277-L382 HydrophobicContact CB-CD2 3.47Å; A277-L382 VanDerWaalsContact CB-CD2 3.47Å; L278-L382 HydrophobicContact CD2-CD1 3.63Å; L278-L382 HydrophobicContact CD2-CD2 3.93Å; L278-L382 HydrophobicContact CD2-CG 4.43Å; I281-L382 HydrophobicContact CD1-CD1 4.13Å; I281-L382 HydrophobicContact CG2-CG 4.4Å; L356-L382 HydrophobicContact CD1-CD1 3.49Å; L356-L382 VanDerWaalsContact CD1-CD1 3.49Å; L382-Q384 PolarHBondContact O-N 2.72Å; L382-V385 WeakPolarHBondContact O-CB 3.23Å; L382-V385 WeakPolarHBondContact O-CG2 3.36Å; L382-V385 PolarHBondContact O-N 3.36Å; L382-V385 VanDerWaalsContact O-N 3.17Å
383	L	90.4	Very high	89.8	Confident	117 Å²	117	59 Å²	59	61%	0.613	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-67.4	-18.1	-178.4	-60.7	-180	0	0	0	113.8	H280 I281 L381	H280-L383 HydrophobicContact CB-CD2 3.78Å; I281-L383 HydrophobicContact CG2-CD2 4.08Å; L381-L383 PolarHBondContact O-N 3.18Å
384	Q	90.8	Very high	89.8	Confident	111 Å²	111	62.4 Å²	62.4	52%	0.519	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-88.9	-13.2	177.1	-58.9	-176.2	7.1	0	0	113	L381 L382 S387 T388	L381-Q384 WeakPolarHBondContact O-CB 3.07Å; L381-Q384 PolarHBondContact O-N 2.97Å; L382-Q384 PolarHBondContact O-N 2.72Å; Q384-S387 PolarHBondContact O-N 2.88Å; Q384-T388 PolarHBondContact O-N 2.91Å; Q384-T388 PolarHBondContact O-OG1 2.81Å
385	V	91.3	Very high	89.7	Confident	8 Å²	8	69.6 Å²	69.6	5%	0.048	36%	0.362	C	S	.	.	H	α-helix	trans	-55.5	-46.4	-179.8	175.9	0	0	0	0	112	L259 L330 V354 L356 L382 S387 T388 V389	L259-V385 HydrophobicContact CD2-CG1 3.94Å; L330-V385 HydrophobicContact CD1-CG1 4.12Å; V354-V385 HydrophobicContact CG1-CG1 3.88Å; L356-V385 HydrophobicContact CD2-CG2 4.01Å; L382-V385 WeakPolarHBondContact O-CB 3.23Å; L382-V385 WeakPolarHBondContact O-CG2 3.36Å; L382-V385 PolarHBondContact O-N 3.36Å; L382-V385 VanDerWaalsContact O-N 3.17Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 2.86Å; V385-T388 WeakPolarHBondContact O-CB 3.43Å; V385-T388 PolarHBondContact O-N 3.07Å; V385-T388 VanDerWaalsContact O-N 3.13Å; V385-V389 HydrophobicContact CG1-CG1 4.27Å; V385-V389 WeakPolarHBondContact O-CG2 3.28Å; V385-V389 PolarHBondContact O-N 2.85Å
386	P	92.3	Very high	89.5	Confident	12 Å²	12	72.7 Å²	72.7	8%	0.078	37%	0.371	C	S	.	.	H	α-helix	trans	-52.5	-44.8	175.3	-32	39.6	0	0	0	114.5	I281 I287 V389 R390	I281-P386 HydrophobicContact CB-CG 4.06Å; I281-P386 HydrophobicContact CG2-CG 3.95Å; I287-P386 HydrophobicContact CD1-CB 3.52Å; I287-P386 HydrophobicContact CD1-CG 3.83Å; P386-V389 VanDerWaalsContact O-CG2 3.31Å; P386-V389 WeakPolarHBondContact O-CG2 3.42Å; P386-R390 WeakPolarHBondContact O-CB 3.36Å; P386-R390 VanDerWaalsContact O-CG 3.27Å; P386-R390 WeakPolarHBondContact O-CG 3.48Å; P386-R390 PolarHBondContact O-N 3.28Å
387	S	91.4	Very high	89.5	Confident	81 Å²	81	66.3 Å²	66.3	57%	0.566	34%	0.342	S	S	*	.	H	α-helix	trans	-67.8	-40.5	179.1	-59.2	0	0	0	0	111	Q384 V385 R390 A391	Q384-S387 PolarHBondContact O-N 2.88Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 2.86Å; S387-R390 PolarHBondContact O-N 3.44Å; S387-A391 PolarHBondContact O-N 3.18Å; S387-A391 VanDerWaalsContact O-N 3.13Å
388	T	91.1	Very high	89.4	Confident	72 Å²	72	67.4 Å²	67.4	44%	0.442	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-50.3	178.5	-54.4	0	0	0	0	111.5	Q384 V385 R390 A391 V392	Q384-T388 PolarHBondContact O-N 2.91Å; Q384-T388 PolarHBondContact O-OG1 2.81Å; V385-T388 WeakPolarHBondContact O-CB 3.43Å; V385-T388 PolarHBondContact O-N 3.07Å; V385-T388 VanDerWaalsContact O-N 3.13Å; T388-R390 VanDerWaalsContact C-N 3.32Å; T388-R390 PolarHBondContact O-N 2.6Å; T388-A391 PolarHBondContact O-N 3.27Å; T388-V392 WeakPolarHBondContact O-CG2 3.43Å; T388-V392 PolarHBondContact O-N 3.4Å
389	V	91.5	Very high	89.3	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-68.1	-30.4	-179.2	-63	0	0	0	0	112.8	L258 L259 F328 V354 V385 P386 A391 V392	L258-V389 HydrophobicContact CD2-CG2 3.94Å; L258-V389 HydrophobicContact CG-CG2 4.2Å; L259-V389 HydrophobicContact CB-CG2 4.45Å; L259-V389 HydrophobicContact CD2-CG2 4.43Å; F328-V389 HydrophobicContact CB-CG1 4.47Å; F328-V389 HydrophobicContact CD1-CG1 4.39Å; F328-V389 HydrophobicContact CD2-CB 3.9Å; F328-V389 HydrophobicContact CD2-CG1 4.3Å; F328-V389 HydrophobicContact CE2-CB 4.06Å; F328-V389 HydrophobicContact CG-CB 4.26Å; F328-V389 HydrophobicContact CG-CG1 4.15Å; V354-V389 HydrophobicContact CG2-CG1 3.97Å; V385-V389 HydrophobicContact CG1-CG1 4.27Å; V385-V389 WeakPolarHBondContact O-CG2 3.28Å; V385-V389 PolarHBondContact O-N 2.85Å; P386-V389 VanDerWaalsContact O-CG2 3.31Å; P386-V389 WeakPolarHBondContact O-CG2 3.42Å; V389-A391 VanDerWaalsContact C-N 3.35Å; V389-V392 PolarHBondContact O-N 3.5Å
390	R	91.8	Very high	89.3	Confident	106 Å²	106	65.6 Å²	65.6	40%	0.4	33%	0.333	S	S	.	.	H	α-helix	trans	-67.4	-35.7	174.4	-77.8	180	-177.4	133.8	1.3	112.5	R254 L258 D286 P386 S387 T388 V392	R254-R390 PolarHBondContact NH2-O 3.24Å; R254-R390 VanDerWaalsContact NH2-O 3.16Å; L258-R390 HydrophobicContact CD2-CB 4.37Å; L258-R390 HydrophobicContact CD2-CG 3.29Å; D286-R390 IonicContact OD1-NH2 3.28Å; D286-R390 PolarHBondContact OD1-NH2 3.01Å; D286-R390 IonicContact OD2-CZ 3.96Å; D286-R390 IonicContact OD2-NE 2.91Å; D286-R390 PolarHBondContact OD2-NE 2.67Å; D286-R390 IonicContact OD2-NH2 2.9Å; D286-R390 PolarHBondContact OD2-NH2 2.96Å; P386-R390 WeakPolarHBondContact O-CB 3.36Å; P386-R390 VanDerWaalsContact O-CG 3.27Å; P386-R390 WeakPolarHBondContact O-CG 3.48Å; P386-R390 PolarHBondContact O-N 3.28Å; S387-R390 PolarHBondContact O-N 3.44Å; T388-R390 VanDerWaalsContact C-N 3.32Å; T388-R390 PolarHBondContact O-N 2.6Å; R390-V392 VanDerWaalsContact C-N 3.25Å; R390-V392 PolarHBondContact O-N 2.86Å
391	A	92.7	Very high	89.2	Confident	80 Å²	80	55.8 Å²	55.8	66%	0.661	30%	0.296	S	S	*	.	H	α-helix	trans	-72.3	-15.8	179.9	0	0	0	0	0	113.4	S387 T388 V389 P393	S387-A391 PolarHBondContact O-N 3.18Å; S387-A391 VanDerWaalsContact O-N 3.13Å; T388-A391 PolarHBondContact O-N 3.27Å; V389-A391 VanDerWaalsContact C-N 3.35Å; A391-P393 WeakPolarHBondContact O-CD 3.41Å
392	V	90.9	Very high	88.9	Confident	17 Å²	17	54 Å²	54	10%	0.103	29%	0.285	C	S	.	.	S	Bend	trans	-67.1	122.6	-179.7	-175.1	0	0	0	0	110.5	R254 F328 I375 T388 V389 R390 R396 V397	R254-V392 PolarHBondContact NH2-O 2.74Å; F328-V392 HydrophobicContact CZ-CB 4Å; F328-V392 HydrophobicContact CZ-CG1 4.17Å; F328-V392 HydrophobicContact CZ-CG2 4.17Å; I375-V392 HydrophobicContact CD1-CG2 3.9Å; T388-V392 WeakPolarHBondContact O-CG2 3.43Å; T388-V392 PolarHBondContact O-N 3.4Å; V389-V392 PolarHBondContact O-N 3.5Å; R390-V392 VanDerWaalsContact C-N 3.25Å; R390-V392 PolarHBondContact O-N 2.86Å; V392-R396 HydrophobicContact CG1-CB 3.92Å; V392-R396 HydrophobicContact CG1-CG 3.89Å; V392-V397 HydrophobicContact CB-CG2 4.47Å; V392-V397 HydrophobicContact CG1-CG2 3.83Å
393	P	90.5	Very high	88.8	Confident	80 Å²	80	54.1 Å²	54.1	52%	0.519	29%	0.285	S	S	.	.			trans	-72.2	149.7	-179.8	28.3	-33.5	0	0	0	111.4	A391 K395 R396 V397	A391-P393 WeakPolarHBondContact O-CD 3.41Å; P393-K395 PolarHBondContact O-N 3.35Å; P393-K395 VanDerWaalsContact O-N 3.15Å; P393-R396 HydrophobicContact CG-CB 3.88Å; P393-R396 WeakPolarHBondContact O-CB 3.3Å; P393-R396 PolarHBondContact O-N 2.63Å; P393-V397 PolarHBondContact O-N 3.42Å; P393-V397 VanDerWaalsContact O-N 3.11Å
394	N	87.8	Confident	88.6	Confident	72 Å²	72	48.6 Å²	48.6	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-34.9	-177.7	-74.1	-16.2	0	0	0	113.8	P253 R254 R396 V397 L398	P253-N394 HydrophobicContact CG-CB 3.7Å; R254-N394 PolarHBondContact NE-OD1 3.49Å; N394-R396 VanDerWaalsContact C-N 3.35Å; N394-R396 PolarHBondContact O-N 2.96Å; N394-V397 PolarHBondContact O-N 3.02Å; N394-L398 PolarHBondContact O-N 3.35Å; N394-L398 VanDerWaalsContact O-N 3.08Å
395	K	86.5	Confident	88.4	Confident	159 Å²	159	44.4 Å²	44.4	69%	0.691	24%	0.237	S	C	*	.	H	α-helix	trans	-61.1	-42.6	174.6	-175.5	-177.7	177	-174.2	0	111.6	P393 L398 H399	P393-K395 PolarHBondContact O-N 3.35Å; P393-K395 VanDerWaalsContact O-N 3.15Å; K395-L398 PolarHBondContact O-N 2.92Å; K395-H399 PolarHBondContact O-N 3.18Å; K395-H399 VanDerWaalsContact O-N 3.14Å
396	R	88.1	Confident	88.2	Confident	92 Å²	92	44.7 Å²	44.7	35%	0.347	24%	0.238	S	C	.	.	H	α-helix	trans	-69	-38.3	178.1	-177.8	60.9	177	-176.3	1.1	111.3	N371 V392 P393 N394 L398 H399 L400	N371-R396 PolarHBondContact O-NH2 2.86Å; V392-R396 HydrophobicContact CG1-CB 3.92Å; V392-R396 HydrophobicContact CG1-CG 3.89Å; P393-R396 HydrophobicContact CG-CB 3.88Å; P393-R396 WeakPolarHBondContact O-CB 3.3Å; P393-R396 PolarHBondContact O-N 2.63Å; N394-R396 VanDerWaalsContact C-N 3.35Å; N394-R396 PolarHBondContact O-N 2.96Å; R396-L398 PolarHBondContact O-N 3.31Å; R396-H399 PolarHBondContact NH1-ND1 3.38Å; R396-H399 PolarHBondContact O-N 2.84Å; R396-L400 HydrophobicContact CG-CD1 3.99Å; R396-L400 HydrophobicContact CG-CG 4.23Å; R396-L400 VanDerWaalsContact O-CG 3.3Å; R396-L400 WeakPolarHBondContact O-CG 3Å; R396-L400 PolarHBondContact O-N 2.86Å
397	V	88.2	Confident	88	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-48.9	174.1	175.5	0	0	0	0	111.2	P253 T327 F328 I352 V392 P393 N394 H399 L400 R401	P253-V397 HydrophobicContact CB-CG1 4.19Å; T327-V397 HydrophobicContact CG2-CG1 3.83Å; F328-V397 HydrophobicContact CE2-CG2 4.43Å; F328-V397 HydrophobicContact CZ-CG2 3.84Å; I352-V397 HydrophobicContact CD1-CB 4.22Å; I352-V397 HydrophobicContact CD1-CG1 3.75Å; I352-V397 HydrophobicContact CD1-CG2 4.49Å; V392-V397 HydrophobicContact CB-CG2 4.47Å; V392-V397 HydrophobicContact CG1-CG2 3.83Å; P393-V397 PolarHBondContact O-N 3.42Å; P393-V397 VanDerWaalsContact O-N 3.11Å; N394-V397 PolarHBondContact O-N 3.02Å; V397-H399 VanDerWaalsContact C-N 3.31Å; V397-H399 PolarHBondContact O-N 2.82Å; V397-L400 PolarHBondContact O-N 3.34Å; V397-R401 WeakPolarHBondContact O-CG 3.45Å; V397-R401 PolarHBondContact O-N 2.78Å
398	L	84.7	Confident	88	Confident	42 Å²	42	40.7 Å²	40.7	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-42.1	177.8	-73	172.5	0	0	0	112	N249 P253 N394 K395 R396 Q402	N249-L398 HydrophobicContact CB-CD2 4.25Å; P253-L398 HydrophobicContact CB-CD2 3.81Å; P253-L398 HydrophobicContact CB-CG 3.95Å; P253-L398 HydrophobicContact CG-CG 4.34Å; N394-L398 PolarHBondContact O-N 3.35Å; N394-L398 VanDerWaalsContact O-N 3.08Å; K395-L398 PolarHBondContact O-N 2.92Å; R396-L398 PolarHBondContact O-N 3.31Å; L398-Q402 WeakPolarHBondContact O-CG 3.42Å; L398-Q402 PolarHBondContact O-N 3.28Å; L398-Q402 VanDerWaalsContact O-N 3.08Å
399	H	83.9	Confident	87.7	Confident	31 Å²	31	39 Å²	39	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-50.5	176.7	-178.5	-109.3	0	0	0	112	Y58 K395 R396 V397 R401 Q402 R403	Y58-H399 PolarHBondContact O-NE2 2.92Å; Y58-H399 VanDerWaalsContact O-NE2 3.09Å; K395-H399 PolarHBondContact O-N 3.18Å; K395-H399 VanDerWaalsContact O-N 3.14Å; R396-H399 PolarHBondContact NH1-ND1 3.38Å; R396-H399 PolarHBondContact O-N 2.84Å; V397-H399 VanDerWaalsContact C-N 3.31Å; V397-H399 PolarHBondContact O-N 2.82Å; H399-R401 VanDerWaalsContact C-N 3.3Å; H399-R401 PolarHBondContact O-N 3.01Å; H399-Q402 PolarHBondContact O-N 3.42Å; H399-R403 PolarHBondContact NE2-NE 2.95Å; H399-R403 VanDerWaalsContact NE2-NE 3.15Å; H399-R403 WeakPolarHBondContact O-CG 3.4Å; H399-R403 PolarHBondContact O-N 3.43Å
400	L	87.3	Confident	87.6	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-40.8	179.3	-70	173.2	0	0	0	112	I352 Q372 I375 R396 V397 R403 T404	I352-L400 HydrophobicContact CD1-CB 3.67Å; I352-L400 HydrophobicContact CD1-CD1 4.07Å; I352-L400 HydrophobicContact CG1-CB 3.87Å; I352-L400 HydrophobicContact CG2-CB 4.06Å; I352-L400 HydrophobicContact CG2-CD1 3.94Å; Q372-L400 WeakPolarHBondContact O-CD2 3.35Å; I375-L400 HydrophobicContact CD1-CD1 4.28Å; I375-L400 HydrophobicContact CG1-CD1 4.18Å; R396-L400 HydrophobicContact CG-CD1 3.99Å; R396-L400 HydrophobicContact CG-CG 4.23Å; R396-L400 VanDerWaalsContact O-CG 3.3Å; R396-L400 WeakPolarHBondContact O-CG 3Å; R396-L400 PolarHBondContact O-N 2.86Å; V397-L400 PolarHBondContact O-N 3.34Å; L400-R403 PolarHBondContact O-N 2.89Å; L400-T404 WeakPolarHBondContact O-CB 3.47Å; L400-T404 PolarHBondContact O-N 3.3Å; L400-T404 PolarHBondContact O-OG1 3.46Å
401	R	85.2	Confident	87.7	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-46	175.6	-74.4	-172.5	172.1	156.5	-0.5	113	P253 A349 A350 I352 V397 H399 R403 T404 Q405	P253-R401 PolarHBondContact O-NH1 2.89Å; P253-R401 PolarHBondContact O-NH2 3.2Å; A349-R401 WeakPolarHBondContact O-CB 3.25Å; A349-R401 WeakPolarHBondContact O-CG 3.26Å; A350-R401 VanDerWaalsContact O-CZ 3.25Å; A350-R401 PolarHBondContact O-NE 3.08Å; A350-R401 PolarHBondContact O-NH2 3.42Å; I352-R401 HydrophobicContact CD1-CG 4.06Å; I352-R401 HydrophobicContact CG1-CG 3.82Å; V397-R401 WeakPolarHBondContact O-CG 3.45Å; V397-R401 PolarHBondContact O-N 2.78Å; H399-R401 VanDerWaalsContact C-N 3.3Å; H399-R401 PolarHBondContact O-N 3.01Å; R401-R403 VanDerWaalsContact C-N 3.31Å; R401-R403 PolarHBondContact O-N 3.25Å; R401-T404 PolarHBondContact O-N 2.87Å; R401-Q405 PolarHBondContact O-N 3.18Å
402	Q	82.1	Confident	87.7	Confident	41 Å²	41	30.5 Å²	30.5	19%	0.192	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-41.4	176.9	-74	173.7	-23.5	0	0	111.4	Y58 N249 L398 H399 Q405 M406	Y58-Q402 HydrophobicContact CD1-CB 4.26Å; Y58-Q402 HydrophobicContact CE1-CG 4.43Å; N249-Q402 PolarHBondContact ND2-NE2 3.12Å; L398-Q402 WeakPolarHBondContact O-CG 3.42Å; L398-Q402 PolarHBondContact O-N 3.28Å; L398-Q402 VanDerWaalsContact O-N 3.08Å; H399-Q402 PolarHBondContact O-N 3.42Å; Q402-Q405 PolarHBondContact O-N 3.07Å; Q402-M406 WeakPolarHBondContact O-CB 3.19Å; Q402-M406 PolarHBondContact O-N 2.87Å
403	R	85.8	Confident	87.6	Confident	13 Å²	13	29.9 Å²	29.9	5%	0.049	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-45.9	175.1	-67.5	-43.4	-158.7	138.1	24.1	112	Y58 Q372 A373 H399 L400 R401 Q405 M406 L407 N442	Y58-R403 VanDerWaalsContact C-CZ 3.41Å; Y58-R403 VanDerWaalsContact C-NH2 3.33Å; Y58-R403 PolarHBondContact O-NE 3.38Å; Y58-R403 PolarHBondContact O-NH2 2.95Å; Q372-R403 VanDerWaalsContact O-CG 3.29Å; Q372-R403 WeakPolarHBondContact O-CG 3.47Å; A373-R403 HydrophobicContact CB-CB 4.07Å; H399-R403 PolarHBondContact NE2-NE 2.95Å; H399-R403 VanDerWaalsContact NE2-NE 3.15Å; H399-R403 WeakPolarHBondContact O-CG 3.4Å; H399-R403 PolarHBondContact O-N 3.43Å; L400-R403 PolarHBondContact O-N 2.89Å; R401-R403 VanDerWaalsContact C-N 3.31Å; R401-R403 PolarHBondContact O-N 3.25Å; R403-Q405 PolarHBondContact O-N 3.06Å; R403-M406 PolarHBondContact O-N 2.95Å; R403-L407 WeakPolarHBondContact O-CG 3.32Å; R403-L407 PolarHBondContact O-N 3.47Å; R403-N442 PolarHBondContact NH1-O 2.61Å
404	T	87.9	Confident	87.7	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-47.3	177.5	-63.6	0	0	0	0	112	L346 A349 A373 L400 R401 M406 L407 W408	L346-T404 HydrophobicContact CB-CG2 4.15Å; L346-T404 HydrophobicContact CD2-CG2 3.52Å; L346-T404 HydrophobicContact CG-CG2 4.41Å; A349-T404 HydrophobicContact CB-CG2 4.49Å; A373-T404 PolarHBondContact O-OG1 3.17Å; L400-T404 WeakPolarHBondContact O-CB 3.47Å; L400-T404 PolarHBondContact O-N 3.3Å; L400-T404 PolarHBondContact O-OG1 3.46Å; R401-T404 PolarHBondContact O-N 2.87Å; T404-M406 PolarHBondContact O-N 2.85Å; T404-L407 PolarHBondContact O-N 3.23Å; T404-W408 PolarHBondContact O-N 3.31Å
405	Q	84.9	Confident	88	Confident	22 Å²	22	22.8 Å²	22.8	10%	0.103	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-46.2	176.1	-176.6	66.7	43.6	0	0	111.5	A349 R401 Q402 R403 L407 W408 D409	A349-Q405 HydrophobicContact CB-CB 3.7Å; A349-Q405 HydrophobicContact CB-CG 4.31Å; R401-Q405 PolarHBondContact O-N 3.18Å; Q402-Q405 PolarHBondContact O-N 3.07Å; R403-Q405 PolarHBondContact O-N 3.06Å; Q405-L407 PolarHBondContact O-N 3.02Å; Q405-W408 PolarHBondContact O-N 2.68Å; Q405-D409 PolarHBondContact NE2-OD1 2.99Å; Q405-D409 VanDerWaalsContact NE2-OD1 3.08Å; Q405-D409 PolarHBondContact NE2-OD2 2.93Å; Q405-D409 WeakPolarHBondContact O-CB 3.45Å; Q405-D409 PolarHBondContact O-N 2.82Å
406	M	86.8	Confident	88.4	Confident	15 Å²	15	16.2 Å²	16.2	7%	0.074	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-44.2	179.4	175.3	-94.8	163.5	0	0	111.9	Q402 R403 T404 D409 A410 Y411 L444	Q402-M406 WeakPolarHBondContact O-CB 3.19Å; Q402-M406 PolarHBondContact O-N 2.87Å; R403-M406 PolarHBondContact O-N 2.95Å; T404-M406 PolarHBondContact O-N 2.85Å; M406-D409 PolarHBondContact O-N 2.96Å; M406-A410 HydrophobicContact CE-CB 4.07Å; M406-A410 WeakPolarHBondContact O-CB 3.31Å; M406-A410 PolarHBondContact O-N 2.65Å; M406-Y411 HydrophobicContact CE-CE2 4.38Å; M406-L444 HydrophobicContact CB-CD2 4.32Å; M406-L444 HydrophobicContact CG-CD2 3.53Å; M406-L444 HydrophobicContact CG-CG 3.72Å
407	L	89.9	Confident	88.6	Confident	6 Å²	6	13.9 Å²	13.9	3%	0.031	7%	0.069	C	C	.	.	H	α-helix	trans	-66.4	-39.8	178	-66.5	177.6	0	0	0	111.8	I368 W370 A373 R403 T404 Q405 A410 Y411 F412	I368-L407 HydrophobicContact CD1-CD2 4.23Å; I368-L407 HydrophobicContact CG1-CD2 4.38Å; I368-L407 HydrophobicContact CG2-CD1 3.8Å; I368-L407 HydrophobicContact CG2-CD2 3.77Å; I368-L407 HydrophobicContact CG2-CG 4.45Å; W370-L407 HydrophobicContact CE3-CD1 4.06Å; W370-L407 HydrophobicContact CH2-CD1 4.24Å; W370-L407 HydrophobicContact CZ3-CD1 3.73Å; A373-L407 HydrophobicContact CB-CD1 3.66Å; R403-L407 WeakPolarHBondContact O-CG 3.32Å; R403-L407 PolarHBondContact O-N 3.47Å; T404-L407 PolarHBondContact O-N 3.23Å; Q405-L407 PolarHBondContact O-N 3.02Å; L407-A410 PolarHBondContact O-N 3.04Å; L407-Y411 HydrophobicContact CD2-CD2 4.04Å; L407-Y411 HydrophobicContact CD2-CE2 4.03Å; L407-Y411 PolarHBondContact O-N 3.01Å; L407-F412 HydrophobicContact CB-CD2 4.36Å; L407-F412 HydrophobicContact CB-CE2 4.24Å; L407-F412 VanDerWaalsContact O-CD2 3.31Å; L407-F412 WeakPolarHBondContact O-CD2 3.48Å
408	W	89.8	Confident	89	Confident	2 Å²	2	14 Å²	14	1%	0.008	7%	0.07	C	C	.	.	I	π-helix	trans	-58.8	-55.3	173.8	175.5	-103.9	0	0	0	111.3	H236 E242 L343 L346 Q347 T404 Q405 A410 F412 S413	H236-W408 AromaticContact CE1-CH2 3.69Å; E242-W408 PolarHBondContact O-NE1 3.09Å; E242-W408 VanDerWaalsContact O-NE1 3.1Å; L343-W408 HydrophobicContact CB-CZ3 4.45Å; L343-W408 HydrophobicContact CD2-CZ3 4.42Å; L346-W408 HydrophobicContact CB-CE3 4.1Å; Q347-W408 VanDerWaalsContact CA-CD2 3.4Å; Q347-W408 HydrophobicContact CB-CD2 3.97Å; Q347-W408 HydrophobicContact CB-CE3 3.97Å; Q347-W408 HydrophobicContact CB-CH2 3.5Å; Q347-W408 HydrophobicContact CB-CZ2 3.51Å; Q347-W408 HydrophobicContact CB-CZ3 3.74Å; Q347-W408 HydrophobicContact CG-CD2 4.49Å; Q347-W408 HydrophobicContact CG-CH2 3.78Å; Q347-W408 HydrophobicContact CG-CZ2 3.36Å; Q347-W408 HydrophobicContact CG-CZ3 4.5Å; T404-W408 PolarHBondContact O-N 3.31Å; Q405-W408 PolarHBondContact O-N 2.68Å; W408-A410 VanDerWaalsContact C-N 3.29Å; W408-A410 PolarHBondContact O-N 3.3Å; W408-F412 HydrophobicContact CD2-CB 4.46Å; W408-F412 HydrophobicContact CE3-CB 3.63Å; W408-F412 HydrophobicContact CZ3-CB 4.01Å; W408-F412 WeakPolarHBondContact CZ3-O 3.14Å; W408-F412 PolarHBondContact O-N 2.8Å; W408-S413 WeakPolarHBondContact O-CB 3.2Å; W408-S413 PolarHBondContact O-N 2.69Å
409	D	86.5	Confident	89.5	Confident	36 Å²	36	12 Å²	12	19%	0.193	6%	0.059	C	C	.	.	I	π-helix	trans	-66	-30.9	-177.8	-70.5	-22.3	0	0	0	112.1	Q405 M406 K417	Q405-D409 PolarHBondContact NE2-OD1 2.99Å; Q405-D409 VanDerWaalsContact NE2-OD1 3.08Å; Q405-D409 PolarHBondContact NE2-OD2 2.93Å; Q405-D409 WeakPolarHBondContact O-CB 3.45Å; Q405-D409 PolarHBondContact O-N 2.82Å; M406-D409 PolarHBondContact O-N 2.96Å; D409-K417 PolarHBondContact O-NZ 2.95Å
410	A	89.1	Confident	90	Very high	8 Å²	8	12.3 Å²	12.3	7%	0.066	6%	0.062	C	C	.	.	I	π-helix	trans	-82.2	-39.7	-179.5	0	0	0	0	0	113.3	M406 L407 W408 L448	M406-A410 HydrophobicContact CE-CB 4.07Å; M406-A410 WeakPolarHBondContact O-CB 3.31Å; M406-A410 PolarHBondContact O-N 2.65Å; L407-A410 PolarHBondContact O-N 3.04Å; W408-A410 VanDerWaalsContact C-N 3.29Å; W408-A410 PolarHBondContact O-N 3.3Å; A410-L448 WeakPolarHBondContact O-CD1 3.3Å
411	Y	92.6	Very high	90.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-130.8	-25.3	-163.9	-53.7	-56.8	0	0	0	116	I368 M406 L407 K417 I418 T421 W441 G446 G447 L448	I368-Y411 HydrophobicContact CD1-CD2 3.77Å; I368-Y411 HydrophobicContact CD1-CE2 4.29Å; I368-Y411 HydrophobicContact CD1-CG 4.39Å; I368-Y411 HydrophobicContact CG1-CD2 4.4Å; I368-Y411 HydrophobicContact CG1-CE2 4.44Å; M406-Y411 HydrophobicContact CE-CE2 4.38Å; L407-Y411 HydrophobicContact CD2-CD2 4.04Å; L407-Y411 HydrophobicContact CD2-CE2 4.03Å; L407-Y411 PolarHBondContact O-N 3.01Å; Y411-K417 CarbonylContact O-C 3.47Å; Y411-K417 WeakPolarHBondContact O-CB 3.37Å; Y411-I418 WeakPolarHBondContact O-CG1 3.43Å; Y411-I418 PolarHBondContact O-N 2.94Å; Y411-T421 HydrophobicContact CD1-CG2 3.96Å; Y411-T421 WeakPolarHBondContact CD1-OG1 3.49Å; Y411-T421 HydrophobicContact CG-CG2 4.49Å; Y411-W441 AromaticContact CE1-CE3 3.75Å; Y411-W441 HydrophobicContact CE1-CE3 3.75Å; Y411-W441 AromaticContact CE1-CZ3 3.74Å; Y411-W441 HydrophobicContact CE1-CZ3 3.74Å; Y411-W441 WeakPolarHBondContact CE2-O 3.4Å; Y411-W441 AromaticContact CZ-CE3 3.76Å; Y411-W441 VanDerWaalsContact OH-C 3.32Å; Y411-W441 WeakPolarHBondContact OH-CA 3.41Å; Y411-W441 PolarHBondContact OH-O 3.29Å; Y411-G446 VanDerWaalsContact OH-CA 3.25Å; Y411-G446 WeakPolarHBondContact OH-CA 3.35Å; Y411-G447 PolarHBondContact OH-N 2.86Å; Y411-L448 HydrophobicContact CD1-CG 4.36Å; Y411-L448 HydrophobicContact CE1-CG 4.32Å
412	F	92.6	Very high	91	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-117.1	-7.3	-166.9	-58.1	-62.5	0	0	0	115.1	P230 H236 L343 L346 P363 F364 I368 W370 L407 W408 S414 I418	P230-F412 HydrophobicContact CB-CD1 4.27Å; P230-F412 HydrophobicContact CB-CE1 4.23Å; P230-F412 HydrophobicContact CG-CD1 3.79Å; P230-F412 HydrophobicContact CG-CE1 3.89Å; H236-F412 PolarHBondContact CE1-O 3.26Å; H236-F412 PolarHBondContact NE2-O 3.36Å; L343-F412 HydrophobicContact CD2-CB 3.98Å; L343-F412 HydrophobicContact CD2-CD1 4.02Å; L343-F412 HydrophobicContact CD2-CG 4.08Å; L346-F412 HydrophobicContact CD1-CD2 3.95Å; L346-F412 HydrophobicContact CD1-CE2 4.23Å; L346-F412 HydrophobicContact CD1-CG 4.49Å; P363-F412 HydrophobicContact CB-CE1 3.96Å; P363-F412 HydrophobicContact CB-CZ 4.12Å; F364-F412 AromaticContact CD2-CE1 3.58Å; F364-F412 HydrophobicContact CD2-CE1 3.58Å; F364-F412 AromaticContact CD2-CZ 3.72Å; F364-F412 HydrophobicContact CD2-CZ 3.72Å; F364-F412 HydrophobicContact CE2-CD1 4.27Å; F364-F412 AromaticContact CE2-CE1 3.51Å; F364-F412 HydrophobicContact CE2-CE1 3.51Å; F364-F412 HydrophobicContact CE2-CZ 4.12Å; I368-F412 HydrophobicContact CD1-CE2 3.96Å; I368-F412 HydrophobicContact CD1-CZ 3.78Å; W370-F412 AromaticContact CH2-CE2 3.54Å; W370-F412 HydrophobicContact CH2-CE2 3.54Å; W370-F412 AromaticContact CH2-CZ 3.82Å; W370-F412 HydrophobicContact CH2-CZ 3.82Å; W370-F412 AromaticContact CZ2-CE2 3.88Å; W370-F412 HydrophobicContact CZ2-CE2 3.88Å; W370-F412 AromaticContact CZ2-CZ 3.69Å; W370-F412 HydrophobicContact CZ2-CZ 3.69Å; L407-F412 HydrophobicContact CB-CD2 4.36Å; L407-F412 HydrophobicContact CB-CE2 4.24Å; L407-F412 VanDerWaalsContact O-CD2 3.31Å; L407-F412 WeakPolarHBondContact O-CD2 3.48Å; W408-F412 HydrophobicContact CD2-CB 4.46Å; W408-F412 HydrophobicContact CE3-CB 3.63Å; W408-F412 HydrophobicContact CZ3-CB 4.01Å; W408-F412 WeakPolarHBondContact CZ3-O 3.14Å; W408-F412 PolarHBondContact O-N 2.8Å; F412-S414 PolarHBondContact O-N 3.44Å; F412-S414 VanDerWaalsContact O-N 3.16Å; F412-I418 HydrophobicContact CD1-CG1 4.34Å
413	S	90.4	Very high	91.6	Very high	4 Å²	4	10.2 Å²	10.2	3%	0.028	5%	0.052	C	C	.	.	S	Bend	trans	-68.2	-14.2	-175.1	78.9	0	0	0	0	114.4	G241 W408 K417	G241-S413 WeakPolarHBondContact CA-O 3.31Å; G241-S413 PolarHBondContact N-O 3.25Å; W408-S413 WeakPolarHBondContact O-CB 3.2Å; W408-S413 PolarHBondContact O-N 2.69Å; S413-K417 WeakPolarHBondContact OG-CD 3.44Å; S413-K417 WeakPolarHBondContact OG-CE 3.32Å; S413-K417 PolarHBondContact OG-NZ 3.37Å
414	S	92.9	Very high	92	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.021	5%	0.051	C	C	.	.	S	Bend	trans	-157	160.9	178.6	77.7	0	0	0	0	112.2	H236 P237 Q238 F412 D416 K417 I418	H236-S414 WeakPolarHBondContact NE2-CA 3.36Å; H236-S414 PolarHBondContact NE2-N 3.11Å; P237-S414 WeakPolarHBondContact O-CA 3.15Å; P237-S414 WeakPolarHBondContact O-CB 3.48Å; Q238-S414 VanDerWaalsContact O-CB 3.23Å; Q238-S414 WeakPolarHBondContact O-CB 3.48Å; Q238-S414 PolarHBondContact O-OG 2.96Å; F412-S414 PolarHBondContact O-N 3.44Å; F412-S414 VanDerWaalsContact O-N 3.16Å; S414-D416 VanDerWaalsContact C-N 3.27Å; S414-D416 PolarHBondContact O-N 3.23Å; S414-K417 PolarHBondContact O-N 2.63Å; S414-K417 VanDerWaalsContact O-N 3.14Å; S414-K417 PolarHBondContact OG-N 3.17Å; S414-I418 PolarHBondContact O-N 3.35Å
415	V	94	Very high	92.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.4	-41.5	176	-177.2	0	0	0	0	110.8	K128 I129 F232 P237 K417 I418 V419	K128-V415 HydrophobicContact CB-CB 4.48Å; K128-V415 HydrophobicContact CB-CG1 4.14Å; K128-V415 HydrophobicContact CB-CG2 4.36Å; K128-V415 HydrophobicContact CD-CG2 4.24Å; I129-V415 HydrophobicContact CG1-CG1 4.03Å; F232-V415 HydrophobicContact CD2-CG2 4.17Å; F232-V415 HydrophobicContact CE2-CG1 4.45Å; F232-V415 HydrophobicContact CE2-CG2 3.97Å; F232-V415 HydrophobicContact CZ-CG1 4.26Å; F232-V415 HydrophobicContact CZ-CG2 4.47Å; P237-V415 PolarHBondContact O-N 2.8Å; V415-K417 VanDerWaalsContact C-N 3.29Å; V415-K417 PolarHBondContact O-N 3.13Å; V415-I418 PolarHBondContact O-N 2.62Å; V415-I418 VanDerWaalsContact O-N 3.15Å; V415-V419 HydrophobicContact CG1-CG2 4.02Å; V415-V419 WeakPolarHBondContact O-CG2 3.27Å; V415-V419 PolarHBondContact O-N 3.35Å
416	D	93.3	Very high	92.7	Very high	22 Å²	22	8.9 Å²	8.9	12%	0.118	5%	0.046	C	C	.	.	H	α-helix	trans	-52.8	-45.7	175.8	-79.4	26.1	0	0	0	112.1	S132 Q238 K239 S414 V419 L420	S132-D416 PolarHBondContact OG-OD1 3.4Å; S132-D416 VanDerWaalsContact OG-OD1 3.04Å; Q238-D416 PolarHBondContact NE2-OD1 3.44Å; Q238-D416 WeakPolarHBondContact O-CB 3.48Å; Q238-D416 VanDerWaalsContact O-CG 3.32Å; Q238-D416 PolarHBondContact O-N 3.32Å; Q238-D416 VanDerWaalsContact O-OD1 3.09Å; K239-D416 WeakPolarHBondContact CE-OD2 3.29Å; K239-D416 WeakPolarHBondContact CG-OD2 3.43Å; S414-D416 VanDerWaalsContact C-N 3.27Å; S414-D416 PolarHBondContact O-N 3.23Å; D416-V419 PolarHBondContact O-N 3.17Å; D416-L420 VanDerWaalsContact O-CB 3.25Å; D416-L420 WeakPolarHBondContact O-CB 3.49Å; D416-L420 WeakPolarHBondContact O-CG 3.44Å; D416-L420 PolarHBondContact O-N 3.38Å
417	K	93.7	Very high	92.9	Very high	43 Å²	43	8.7 Å²	8.7	19%	0.187	5%	0.045	C	C	.	.	H	α-helix	trans	-67.2	-40.7	-179.5	-70.1	-176.8	-176.9	171.5	0	111.9	D409 Y411 S413 S414 V415 T421 L448	D409-K417 PolarHBondContact O-NZ 2.95Å; Y411-K417 CarbonylContact O-C 3.47Å; Y411-K417 WeakPolarHBondContact O-CB 3.37Å; S413-K417 WeakPolarHBondContact OG-CD 3.44Å; S413-K417 WeakPolarHBondContact OG-CE 3.32Å; S413-K417 PolarHBondContact OG-NZ 3.37Å; S414-K417 PolarHBondContact O-N 2.63Å; S414-K417 VanDerWaalsContact O-N 3.14Å; S414-K417 PolarHBondContact OG-N 3.17Å; V415-K417 VanDerWaalsContact C-N 3.29Å; V415-K417 PolarHBondContact O-N 3.13Å; K417-T421 WeakPolarHBondContact O-CB 3.42Å; K417-T421 PolarHBondContact O-N 3.35Å; K417-T421 PolarHBondContact O-OG1 2.88Å; K417-L448 HydrophobicContact CB-CD1 4.13Å; K417-L448 HydrophobicContact CG-CD1 4.05Å
418	I	95.4	Very high	93	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-62.2	-46.9	178.2	-65.6	164.7	0	0	0	110.2	P230 F232 F364 Y411 F412 S414 V415 T421 T422	P230-I418 HydrophobicContact CG-CD1 3.7Å; P230-I418 HydrophobicContact CG-CG1 3.96Å; P230-I418 HydrophobicContact CG-CG2 4.08Å; F232-I418 HydrophobicContact CD1-CD1 3.98Å; F364-I418 HydrophobicContact CZ-CG2 4.02Å; F364-I418 WeakPolarHBondContact CZ-O 3.32Å; Y411-I418 WeakPolarHBondContact O-CG1 3.43Å; Y411-I418 PolarHBondContact O-N 2.94Å; F412-I418 HydrophobicContact CD1-CG1 4.34Å; S414-I418 PolarHBondContact O-N 3.35Å; V415-I418 PolarHBondContact O-N 2.62Å; V415-I418 VanDerWaalsContact O-N 3.15Å; I418-T421 PolarHBondContact O-N 3.36Å; I418-T422 PolarHBondContact O-N 3.29Å; I418-T422 PolarHBondContact O-OG1 3.29Å
419	V	96.1	Very high	93	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-67.8	-48.1	-179.4	174.8	0	0	0	0	111.1	I129 I133 F188 V415 D416 T421 T422 L423	I129-V419 HydrophobicContact CB-CG2 4.25Å; I129-V419 HydrophobicContact CG1-CG2 4.09Å; I129-V419 HydrophobicContact CG2-CG2 3.9Å; I133-V419 HydrophobicContact CD1-CG1 4.22Å; I133-V419 HydrophobicContact CG1-CG1 3.52Å; F188-V419 HydrophobicContact CZ-CG1 4.47Å; V415-V419 HydrophobicContact CG1-CG2 4.02Å; V415-V419 WeakPolarHBondContact O-CG2 3.27Å; V415-V419 PolarHBondContact O-N 3.35Å; D416-V419 PolarHBondContact O-N 3.17Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 3.05Å; V419-T422 WeakPolarHBondContact O-CB 3.34Å; V419-T422 PolarHBondContact O-N 3Å; V419-L423 HydrophobicContact CG1-CD1 4.46Å; V419-L423 WeakPolarHBondContact O-CG 3.36Å; V419-L423 PolarHBondContact O-N 2.96Å
420	L	94.9	Very high	93.2	Very high	37 Å²	37	9.1 Å²	9.1	19%	0.194	5%	0.045	C	C	.	.	H	α-helix	trans	-62.8	-37.6	177.8	-68.7	173.3	0	0	0	111.7	D416 T422 L423 E424 L448	D416-L420 VanDerWaalsContact O-CB 3.25Å; D416-L420 WeakPolarHBondContact O-CB 3.49Å; D416-L420 WeakPolarHBondContact O-CG 3.44Å; D416-L420 PolarHBondContact O-N 3.38Å; L420-T422 VanDerWaalsContact C-N 3.35Å; L420-T422 PolarHBondContact O-N 3.28Å; L420-L423 PolarHBondContact O-N 2.79Å; L420-E424 WeakPolarHBondContact O-CB 3.36Å; L420-E424 VanDerWaalsContact O-CG 3.26Å; L420-E424 WeakPolarHBondContact O-CG 3.47Å; L420-E424 PolarHBondContact O-N 3.04Å; L420-L448 HydrophobicContact CB-CD2 4.03Å
421	T	96	Very high	93.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.5	-43.7	175	-58.9	0	0	0	0	110.9	F364 Y411 K417 I418 V419 L423 E424 I425 W441	F364-T421 HydrophobicContact CD1-CG2 4.07Å; F364-T421 HydrophobicContact CD2-CG2 3.76Å; F364-T421 HydrophobicContact CE1-CG2 4.02Å; F364-T421 HydrophobicContact CE2-CG2 3.71Å; F364-T421 HydrophobicContact CG-CG2 3.94Å; F364-T421 HydrophobicContact CZ-CG2 3.84Å; Y411-T421 HydrophobicContact CD1-CG2 3.96Å; Y411-T421 WeakPolarHBondContact CD1-OG1 3.49Å; Y411-T421 HydrophobicContact CG-CG2 4.49Å; K417-T421 WeakPolarHBondContact O-CB 3.42Å; K417-T421 PolarHBondContact O-N 3.35Å; K417-T421 PolarHBondContact O-OG1 2.88Å; I418-T421 PolarHBondContact O-N 3.36Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 3.05Å; T421-L423 VanDerWaalsContact C-N 3.33Å; T421-L423 PolarHBondContact O-N 2.02Å; T421-E424 PolarHBondContact O-N 3.18Å; T421-I425 HydrophobicContact CG2-CD1 3.9Å; T421-I425 HydrophobicContact CG2-CG1 4.45Å; T421-I425 VanDerWaalsContact O-CG1 3.25Å; T421-I425 WeakPolarHBondContact O-CG1 3.39Å; T421-I425 PolarHBondContact O-N 2.76Å; T421-W441 HydrophobicContact CG2-CZ3 4.04Å
422	T	96.3	Very high	92.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.3	-47	174.7	-55.5	0	0	0	0	111.1	L186 F188 A212 V227 F364 I418 V419 L420 I425 I426	L186-T422 HydrophobicContact CD2-CG2 4.33Å; F188-T422 HydrophobicContact CE1-CG2 4.23Å; F188-T422 HydrophobicContact CZ-CG2 4.47Å; A212-T422 HydrophobicContact CB-CG2 4.04Å; V227-T422 HydrophobicContact CB-CG2 4.26Å; V227-T422 HydrophobicContact CG1-CG2 4.08Å; V227-T422 HydrophobicContact CG2-CG2 4.33Å; F364-T422 WeakPolarHBondContact CE1-OG1 3.39Å; I418-T422 PolarHBondContact O-N 3.29Å; I418-T422 PolarHBondContact O-OG1 3.29Å; V419-T422 WeakPolarHBondContact O-CB 3.34Å; V419-T422 PolarHBondContact O-N 3Å; L420-T422 VanDerWaalsContact C-N 3.35Å; L420-T422 PolarHBondContact O-N 3.28Å; T422-I425 PolarHBondContact O-N 3.38Å; T422-I426 HydrophobicContact CG2-CD1 4.2Å; T422-I426 WeakPolarHBondContact O-CG1 3.35Å; T422-I426 PolarHBondContact O-N 3.34Å; T422-I426 VanDerWaalsContact O-N 3.12Å
423	L	95.3	Very high	92.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.5	-40.6	179.2	-67	-179.4	0	0	0	112.7	F109 V111 Y138 L148 L186 V419 L420 T421 I426 K427	F109-L423 HydrophobicContact CE1-CB 4.31Å; V111-L423 HydrophobicContact CG2-CD1 4.37Å; V111-L423 HydrophobicContact CG2-CD2 3.99Å; Y138-L423 HydrophobicContact CD2-CB 4.37Å; Y138-L423 HydrophobicContact CD2-CD1 4.03Å; L148-L423 HydrophobicContact CD2-CD2 3.89Å; L186-L423 HydrophobicContact CD2-CD2 4.1Å; V419-L423 HydrophobicContact CG1-CD1 4.46Å; V419-L423 WeakPolarHBondContact O-CG 3.36Å; V419-L423 PolarHBondContact O-N 2.96Å; L420-L423 PolarHBondContact O-N 2.79Å; T421-L423 VanDerWaalsContact C-N 3.33Å; T421-L423 PolarHBondContact O-N 2.02Å; L423-I426 PolarHBondContact O-N 2.78Å; L423-K427 VanDerWaalsContact O-CB 3.3Å; L423-K427 WeakPolarHBondContact O-CB 3.31Å; L423-K427 PolarHBondContact O-N 3.25Å
424	E	93.8	Very high	92.1	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.023	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-37.3	177.1	-70.3	-68.3	166.2	0	0	112.2	R137 Y138 L420 T421 K427 D428 R436 W441 L448	R137-E424 IonicContact CZ-OE1 3.63Å; R137-E424 IonicContact NE-OE1 3.91Å; R137-E424 IonicContact NH2-OE1 3.76Å; R137-E424 PolarHBondContact NH2-OE1 2.84Å; Y138-E424 PolarHBondContact OH-OE1 2.85Å; Y138-E424 PolarHBondContact OH-OE2 3.06Å; L420-E424 WeakPolarHBondContact O-CB 3.36Å; L420-E424 VanDerWaalsContact O-CG 3.26Å; L420-E424 WeakPolarHBondContact O-CG 3.47Å; L420-E424 PolarHBondContact O-N 3.04Å; T421-E424 PolarHBondContact O-N 3.18Å; E424-K427 PolarHBondContact O-N 2.74Å; E424-K427 IonicContact OE2-NZ 4Å; E424-D428 WeakPolarHBondContact O-CB 3.48Å; E424-D428 PolarHBondContact O-N 2.88Å; E424-R436 IonicContact OE1-NH2 3.18Å; E424-R436 IonicContact OE2-CZ 3.95Å; E424-R436 IonicContact OE2-NH1 3.51Å; E424-R436 PolarHBondContact OE2-NH1 3.44Å; E424-R436 IonicContact OE2-NH2 2.91Å; E424-R436 PolarHBondContact OE2-NH2 3.39Å; E424-W441 HydrophobicContact CB-CH2 3.67Å; E424-W441 HydrophobicContact CB-CZ2 4.24Å; E424-L448 HydrophobicContact CG-CD2 3.94Å
425	I	93.9	Very high	91.8	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-47.4	173.5	-70.1	165.9	0	0	0	110.2	V227 F364 V367 T421 T422 K427 D428 R429 W441	V227-I425 HydrophobicContact CG1-CD1 4.45Å; F364-I425 HydrophobicContact CB-CD1 3.9Å; F364-I425 HydrophobicContact CD1-CD1 3.38Å; F364-I425 HydrophobicContact CE1-CD1 4.12Å; F364-I425 HydrophobicContact CG-CD1 3.88Å; V367-I425 HydrophobicContact CG1-CG1 4.04Å; V367-I425 HydrophobicContact CG2-CD1 3.73Å; V367-I425 HydrophobicContact CG2-CG1 3.92Å; T421-I425 HydrophobicContact CG2-CD1 3.9Å; T421-I425 HydrophobicContact CG2-CG1 4.45Å; T421-I425 VanDerWaalsContact O-CG1 3.25Å; T421-I425 WeakPolarHBondContact O-CG1 3.39Å; T421-I425 PolarHBondContact O-N 2.76Å; T422-I425 PolarHBondContact O-N 3.38Å; I425-K427 VanDerWaalsContact C-N 3.3Å; I425-K427 PolarHBondContact O-N 3.15Å; I425-D428 PolarHBondContact O-N 3.39Å; I425-R429 WeakPolarHBondContact O-CG 3.37Å; I425-R429 PolarHBondContact O-N 3.29Å; I425-R429 VanDerWaalsContact O-N 3.1Å; I425-W441 HydrophobicContact CG1-CH2 4.17Å; I425-W441 HydrophobicContact CG1-CZ2 4.33Å
426	I	93.4	Very high	91.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-41.9	177.6	-65.3	167.6	0	0	0	110.2	F109 L148 L186 I210 V227 T422 L423 R429 V430	F109-I426 HydrophobicContact CE2-CG2 4.08Å; F109-I426 HydrophobicContact CZ-CB 4.33Å; F109-I426 HydrophobicContact CZ-CG2 4.08Å; L148-I426 HydrophobicContact CD2-CD1 4.4Å; L186-I426 HydrophobicContact CD1-CD1 3.87Å; L186-I426 HydrophobicContact CD2-CD1 3.94Å; L186-I426 HydrophobicContact CG-CD1 4.47Å; I210-I426 HydrophobicContact CD1-CD1 4.41Å; I210-I426 HydrophobicContact CD1-CG2 4.21Å; I210-I426 HydrophobicContact CG2-CD1 4.26Å; V227-I426 HydrophobicContact CG2-CD1 4.43Å; V227-I426 HydrophobicContact CG2-CG1 4.14Å; T422-I426 HydrophobicContact CG2-CD1 4.2Å; T422-I426 WeakPolarHBondContact O-CG1 3.35Å; T422-I426 PolarHBondContact O-N 3.34Å; T422-I426 VanDerWaalsContact O-N 3.12Å; L423-I426 PolarHBondContact O-N 2.78Å; I426-R429 WeakPolarHBondContact O-CB 3.39Å; I426-R429 PolarHBondContact O-N 2.81Å; I426-V430 HydrophobicContact CG2-CG2 4.45Å; I426-V430 WeakPolarHBondContact O-CG2 3.3Å; I426-V430 PolarHBondContact O-N 3Å
427	K	91.9	Very high	91.4	Very high	11 Å²	11	24.7 Å²	24.7	5%	0.048	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-44.1	176.8	-176.3	-176.1	174.2	-168.3	0	112.5	F109 Y138 L423 E424 I425 R429 V430 F431 E453	F109-K427 HydrophobicContact CB-CD 4.37Å; F109-K427 HydrophobicContact CB-CG 4.25Å; F109-K427 HydrophobicContact CD1-CB 4.05Å; F109-K427 HydrophobicContact CD1-CD 4.08Å; F109-K427 HydrophobicContact CD1-CG 4.12Å; F109-K427 HydrophobicContact CD2-CB 4.08Å; F109-K427 HydrophobicContact CD2-CG 4.13Å; F109-K427 HydrophobicContact CE1-CB 3.97Å; F109-K427 HydrophobicContact CE2-CB 4.01Å; F109-K427 HydrophobicContact CG-CB 4.1Å; F109-K427 HydrophobicContact CG-CD 4.2Å; F109-K427 HydrophobicContact CG-CG 3.89Å; F109-K427 HydrophobicContact CZ-CB 3.95Å; Y138-K427 HydrophobicContact CE1-CD 4.16Å; Y138-K427 WeakPolarHBondContact OH-CD 3.38Å; Y138-K427 PolarHBondContact OH-NZ 2.95Å; L423-K427 VanDerWaalsContact O-CB 3.3Å; L423-K427 WeakPolarHBondContact O-CB 3.31Å; L423-K427 PolarHBondContact O-N 3.25Å; E424-K427 PolarHBondContact O-N 2.74Å; E424-K427 IonicContact OE2-NZ 4Å; I425-K427 VanDerWaalsContact C-N 3.3Å; I425-K427 PolarHBondContact O-N 3.15Å; K427-R429 PolarHBondContact O-N 3.43Å; K427-V430 PolarHBondContact O-N 3.27Å; K427-V430 VanDerWaalsContact O-N 3.12Å; K427-F431 HydrophobicContact CG-CD2 3.85Å; K427-F431 HydrophobicContact CG-CE2 4.29Å; K427-F431 WeakPolarHBondContact O-CD2 3.36Å; K427-F431 PolarHBondContact O-N 3.18Å; K427-E453 WeakPolarHBondContact CE-OE1 3.47Å; K427-E453 IonicContact NZ-OE1 3.57Å; K427-E453 PolarHBondContact NZ-OE1 3.06Å
428	D	91.4	Very high	91	Very high	15 Å²	15	28 Å²	28	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-34.9	175.9	-82.3	3.6	0	0	0	111.2	E424 I425 F431 S432 R436 W441	E424-D428 WeakPolarHBondContact O-CB 3.48Å; E424-D428 PolarHBondContact O-N 2.88Å; I425-D428 PolarHBondContact O-N 3.39Å; D428-F431 CarbonylContact O-C 3.54Å; D428-S432 WeakPolarHBondContact O-CA 2.99Å; D428-S432 PolarHBondContact O-N 3.5Å; D428-R436 IonicContact OD1-CZ 3.31Å; D428-R436 IonicContact OD1-NH1 2.76Å; D428-R436 PolarHBondContact OD1-NH1 3.12Å; D428-R436 WeakPolarHBondContact OD2-CB 3.12Å; D428-R436 PolarHBondContact OD2-N 2.86Å; D428-R436 IonicContact OD2-NH1 2.65Å; D428-W441 WeakPolarHBondContact OD2-CZ2 3.37Å; D428-W441 PolarHBondContact OD2-NE1 3.22Å; D428-W441 VanDerWaalsContact OD2-NE1 3.16Å
429	R	89.9	Confident	90.7	Very high	37 Å²	37	28.7 Å²	28.7	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-39.6	173.1	-64.5	169.3	-177.1	173.9	1.8	112.5	M92 G224 F225 D226 D366 I425 I426 K427	M92-R429 HydrophobicContact CE-CB 3.97Å; M92-R429 HydrophobicContact CG-CB 4.44Å; M92-R429 HydrophobicContact SD-CB 4.47Å; G224-R429 WeakPolarHBondContact O-CD 3.36Å; G224-R429 PolarHBondContact O-NE 2.9Å; F225-R429 PolarHBondContact O-NH1 2.78Å; D226-R429 PolarHBondContact O-NH1 3.05Å; D226-R429 PolarHBondContact O-NH2 3.36Å; D366-R429 IonicContact OD2-CZ 2.82Å; D366-R429 IonicContact OD2-NE 3.82Å; D366-R429 IonicContact OD2-NH2 2.66Å; D366-R429 PolarHBondContact OD2-NH2 3.12Å; I425-R429 WeakPolarHBondContact O-CG 3.37Å; I425-R429 PolarHBondContact O-N 3.29Å; I425-R429 VanDerWaalsContact O-N 3.1Å; I426-R429 WeakPolarHBondContact O-CB 3.39Å; I426-R429 PolarHBondContact O-N 2.81Å; K427-R429 PolarHBondContact O-N 3.43Å
430	V	90	Very high	90.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.1	-41	178.5	173.8	0	0	0	0	111.8	M92 F96 F98 C101 F109 I426 K427	M92-V430 HydrophobicContact CE-CG2 3.96Å; F96-V430 HydrophobicContact CD1-CG2 4.38Å; F96-V430 HydrophobicContact CE1-CG2 3.55Å; F96-V430 HydrophobicContact CZ-CG2 3.72Å; F98-V430 HydrophobicContact CD1-CG1 4.23Å; C101-V430 HydrophobicContact CB-CG1 3.62Å; F109-V430 HydrophobicContact CE2-CG2 4.43Å; I426-V430 HydrophobicContact CG2-CG2 4.45Å; I426-V430 WeakPolarHBondContact O-CG2 3.3Å; I426-V430 PolarHBondContact O-N 3Å; K427-V430 PolarHBondContact O-N 3.27Å; K427-V430 VanDerWaalsContact O-N 3.12Å
431	F	88.9	Confident	90.2	Very high	17 Å²	17	27.1 Å²	27.1	8%	0.075	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	56.1	-178.5	-59	-81.8	0	0	0	111.4	C101 F109 K427 D428 H433 V434 S435	C101-F431 HydrophobicContact CB-CZ 4.4Å; F109-F431 HydrophobicContact CB-CE2 3.92Å; F109-F431 HydrophobicContact CD2-CE2 4.18Å; F109-F431 HydrophobicContact CG-CE2 4.45Å; K427-F431 HydrophobicContact CG-CD2 3.85Å; K427-F431 HydrophobicContact CG-CE2 4.29Å; K427-F431 WeakPolarHBondContact O-CD2 3.36Å; K427-F431 PolarHBondContact O-N 3.18Å; D428-F431 CarbonylContact O-C 3.54Å; F431-H433 AromaticContact CD1-CE1 4Å; F431-H433 PolarHBondContact O-N 3.48Å; F431-V434 CarbonylContact O-C 3.59Å; F431-V434 PolarHBondContact O-N 3.03Å; F431-S435 PolarHBondContact O-N 2.85Å
432	S	85.1	Confident	89.9	Confident	78 Å²	78	27.4 Å²	27.4	55%	0.545	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-54.9	-27.6	-177.1	57.8	0	0	0	0	115.1	D428 V434 S435	D428-S432 WeakPolarHBondContact O-CA 2.99Å; D428-S432 PolarHBondContact O-N 3.5Å; S432-V434 VanDerWaalsContact C-N 3.26Å; S432-V434 PolarHBondContact O-N 3.32Å; S432-S435 PolarHBondContact O-OG 3.39Å; S432-S435 VanDerWaalsContact O-OG 3.14Å
433	H	83.3	Confident	89.4	Confident	132 Å²	132	28.3 Å²	28.3	61%	0.611	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-71	-16.5	175.7	66.3	-70.4	0	0	0	114.3	F431	F431-H433 AromaticContact CD1-CE1 4Å; F431-H433 PolarHBondContact O-N 3.48Å
434	V	85.1	Confident	89	Confident	18 Å²	18	30.6 Å²	30.6	11%	0.109	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-129.2	31.7	178	-164.7	0	0	0	0	109.3	F431 S432 P452 T456	F431-V434 CarbonylContact O-C 3.59Å; F431-V434 PolarHBondContact O-N 3.03Å; S432-V434 VanDerWaalsContact C-N 3.26Å; S432-V434 PolarHBondContact O-N 3.32Å; V434-P452 HydrophobicContact CG1-CB 3.93Å; V434-P452 HydrophobicContact CG1-CG 4.44Å; V434-P452 WeakPolarHBondContact CG1-O 3.15Å; V434-P452 WeakPolarHBondContact O-CB 3.31Å; V434-P452 VanDerWaalsContact O-CG 3.3Å; V434-P452 WeakPolarHBondContact O-CG 3.27Å; V434-T456 HydrophobicContact CG1-CG2 4.06Å
435	S	86.8	Confident	88.7	Confident	49 Å²	49	30.7 Å²	30.7	34%	0.343	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-77	148.3	178.5	62.6	0	0	0	0	111.3	F431 S432	F431-S435 PolarHBondContact O-N 2.85Å; S432-S435 PolarHBondContact O-OG 3.39Å; S432-S435 VanDerWaalsContact O-OG 3.14Å
436	R	90.2	Very high	88.5	Confident	10 Å²	10	30.6 Å²	30.6	4%	0.038	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-68.1	144.5	170.8	-63.4	163.4	-178.9	94.5	-11	110.1	E424 D428 M440 G447 V450 P452	E424-R436 IonicContact OE1-NH2 3.18Å; E424-R436 IonicContact OE2-CZ 3.95Å; E424-R436 IonicContact OE2-NH1 3.51Å; E424-R436 PolarHBondContact OE2-NH1 3.44Å; E424-R436 IonicContact OE2-NH2 2.91Å; E424-R436 PolarHBondContact OE2-NH2 3.39Å; D428-R436 IonicContact OD1-CZ 3.31Å; D428-R436 IonicContact OD1-NH1 2.76Å; D428-R436 PolarHBondContact OD1-NH1 3.12Å; D428-R436 WeakPolarHBondContact OD2-CB 3.12Å; D428-R436 PolarHBondContact OD2-N 2.86Å; D428-R436 IonicContact OD2-NH1 2.65Å; R436-M440 HydrophobicContact CB-CB 4.13Å; R436-M440 HydrophobicContact CB-SD 3.96Å; R436-M440 HydrophobicContact CG-SD 4.15Å; R436-G447 PolarHBondContact NE-O 3.14Å; R436-G447 PolarHBondContact NH2-O 2.9Å; R436-V450 PolarHBondContact NE-O 3.5Å; R436-V450 PolarHBondContact NH2-O 3.29Å; R436-V450 VanDerWaalsContact NH2-O 3.17Å; R436-P452 HydrophobicContact CG-CB 4.07Å; R436-P452 HydrophobicContact CG-CG 4.04Å
437	N	87.9	Confident	88.3	Confident	60 Å²	60	30.6 Å²	30.6	32%	0.321	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-77.9	163.7	172.1	68.3	25.7	0	0	0	111	Y439 M440 W441	N437-Y439 PolarHBondContact O-N 3.39Å; N437-Y439 VanDerWaalsContact O-N 3.16Å; N437-Y439 WeakPolarHBondContact OD1-CA 3.21Å; N437-Y439 WeakPolarHBondContact OD1-CB 3.44Å; N437-Y439 PolarHBondContact OD1-N 3.49Å; N437-Y439 VanDerWaalsContact OD1-N 3.13Å; N437-M440 PolarHBondContact O-N 3.32Å; N437-M440 VanDerWaalsContact O-N 3.12Å; N437-M440 WeakPolarHBondContact OD1-CG 3.08Å; N437-M440 PolarHBondContact OD1-N 2.86Å; N437-W441 PolarHBondContact O-N 3.41Å
438	R	86.1	Confident	88.3	Confident	114 Å²	114	30.7 Å²	30.7	43%	0.43	16%	0.155	S	C	.	.	H	α-helix	trans	-56.9	-30.2	176.6	-73.7	179.6	171.2	168.5	-1.9	112.8	D67 W441 N442	D67-R438 IonicContact OD1-CZ 3.54Å; D67-R438 IonicContact OD1-NH1 3.36Å; D67-R438 PolarHBondContact OD1-NH1 3.43Å; R438-W441 PolarHBondContact O-N 3.43Å; R438-N442 PolarHBondContact O-N 3.1Å; R438-N442 PolarHBondContact O-ND2 3.18Å
439	Y	87.4	Confident	88.2	Confident	15 Å²	15	30.9 Å²	30.9	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-41.8	177.7	-169.2	-82	0	0	0	112.2	A59 L61 L64 N437 W441 N442 Y443 L458 Y464	A59-Y439 HydrophobicContact CB-CE2 4.22Å; L61-Y439 HydrophobicContact CD1-CD2 3.74Å; L61-Y439 HydrophobicContact CD1-CE2 4.03Å; L61-Y439 HydrophobicContact CD1-CG 4.25Å; L64-Y439 HydrophobicContact CB-CD2 4.49Å; L64-Y439 HydrophobicContact CD1-CD2 3.2Å; L64-Y439 HydrophobicContact CD1-CE2 3.76Å; L64-Y439 HydrophobicContact CD1-CG 3.95Å; L64-Y439 HydrophobicContact CG-CD2 4.42Å; N437-Y439 PolarHBondContact O-N 3.39Å; N437-Y439 VanDerWaalsContact O-N 3.16Å; N437-Y439 WeakPolarHBondContact OD1-CA 3.21Å; N437-Y439 WeakPolarHBondContact OD1-CB 3.44Å; N437-Y439 PolarHBondContact OD1-N 3.49Å; N437-Y439 VanDerWaalsContact OD1-N 3.13Å; Y439-W441 VanDerWaalsContact C-N 3.27Å; Y439-W441 PolarHBondContact O-N 3.49Å; Y439-N442 PolarHBondContact O-N 3.41Å; Y439-Y443 HydrophobicContact CE1-CD1 4.21Å; Y439-Y443 HydrophobicContact CE1-CD2 4.19Å; Y439-Y443 AromaticContact CE1-CG 3.81Å; Y439-Y443 HydrophobicContact CE1-CG 3.81Å; Y439-Y443 AromaticContact CZ-CD2 3.83Å; Y439-Y443 AromaticContact CZ-CG 3.94Å; Y439-Y443 VanDerWaalsContact O-CB 3.32Å; Y439-Y443 WeakPolarHBondContact O-CB 3.43Å; Y439-Y443 PolarHBondContact O-N 2.73Å; Y439-Y443 VanDerWaalsContact O-N 3.09Å; Y439-Y443 WeakPolarHBondContact OH-CD2 3.42Å; Y439-Y443 WeakPolarHBondContact OH-CE2 3.36Å; Y439-L458 HydrophobicContact CD1-CD1 3.98Å; Y439-L458 HydrophobicContact CD1-CD2 3.86Å; Y439-L458 HydrophobicContact CG-CD1 4.2Å; Y439-Y464 HydrophobicContact CD1-CD1 4.17Å; Y439-Y464 AromaticContact CD1-CE1 3.92Å; Y439-Y464 HydrophobicContact CD1-CE1 3.92Å; Y439-Y464 AromaticContact CE1-CD1 3.53Å; Y439-Y464 HydrophobicContact CE1-CD1 3.53Å; Y439-Y464 AromaticContact CE1-CE1 3.63Å; Y439-Y464 HydrophobicContact CE1-CE1 3.63Å; Y439-Y464 HydrophobicContact CE1-CG 4.38Å
440	M	90.7	Very high	88.4	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-35.4	176.8	-69.5	169.9	178.5	0	0	112	R436 N437 G446 G447 V450 T456 L458 F461 Y464	R436-M440 HydrophobicContact CB-CB 4.13Å; R436-M440 HydrophobicContact CB-SD 3.96Å; R436-M440 HydrophobicContact CG-SD 4.15Å; N437-M440 PolarHBondContact O-N 3.32Å; N437-M440 VanDerWaalsContact O-N 3.12Å; N437-M440 WeakPolarHBondContact OD1-CG 3.08Å; N437-M440 PolarHBondContact OD1-N 2.86Å; M440-G446 CarbonylContact O-C 3.54Å; M440-G447 PolarHBondContact O-N 3.35Å; M440-V450 HydrophobicContact CB-CG1 4.21Å; M440-V450 HydrophobicContact CE-CG1 4.38Å; M440-V450 HydrophobicContact CG-CG1 3.89Å; M440-V450 HydrophobicContact SD-CG1 3.8Å; M440-T456 VanDerWaalsContact CE-O 3.24Å; M440-T456 WeakPolarHBondContact CE-O 3.38Å; M440-L458 HydrophobicContact CE-CD2 3.68Å; M440-L458 HydrophobicContact CE-CG 4.34Å; M440-L458 HydrophobicContact CG-CD2 3.6Å; M440-L458 HydrophobicContact SD-CD2 4.47Å; M440-F461 HydrophobicContact CE-CD2 4.37Å; M440-F461 HydrophobicContact CE-CE2 3.78Å; M440-Y464 WeakPolarHBondContact CA-OH 3.21Å; M440-Y464 HydrophobicContact CG-CE2 4.27Å
441	W	90.9	Very high	88.4	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-73.8	-31.3	175.1	-73.5	108.7	0	0	0	113.4	V367 Y411 T421 E424 I425 D428 N437 R438 Y439	V367-W441 HydrophobicContact CB-CB 4.16Å; V367-W441 HydrophobicContact CB-CD2 3.89Å; V367-W441 HydrophobicContact CB-CE3 4.44Å; V367-W441 HydrophobicContact CB-CG 3.74Å; V367-W441 HydrophobicContact CG1-CD2 4.28Å; V367-W441 HydrophobicContact CG1-CG 4.29Å; V367-W441 HydrophobicContact CG2-CD2 3.98Å; V367-W441 HydrophobicContact CG2-CE3 4.02Å; V367-W441 HydrophobicContact CG2-CG 4.27Å; Y411-W441 AromaticContact CE1-CE3 3.75Å; Y411-W441 HydrophobicContact CE1-CE3 3.75Å; Y411-W441 AromaticContact CE1-CZ3 3.74Å; Y411-W441 HydrophobicContact CE1-CZ3 3.74Å; Y411-W441 WeakPolarHBondContact CE2-O 3.4Å; Y411-W441 AromaticContact CZ-CE3 3.76Å; Y411-W441 VanDerWaalsContact OH-C 3.32Å; Y411-W441 WeakPolarHBondContact OH-CA 3.41Å; Y411-W441 PolarHBondContact OH-O 3.29Å; T421-W441 HydrophobicContact CG2-CZ3 4.04Å; E424-W441 HydrophobicContact CB-CH2 3.67Å; E424-W441 HydrophobicContact CB-CZ2 4.24Å; I425-W441 HydrophobicContact CG1-CH2 4.17Å; I425-W441 HydrophobicContact CG1-CZ2 4.33Å; D428-W441 WeakPolarHBondContact OD2-CZ2 3.37Å; D428-W441 PolarHBondContact OD2-NE1 3.22Å; D428-W441 VanDerWaalsContact OD2-NE1 3.16Å; N437-W441 PolarHBondContact O-N 3.41Å; R438-W441 PolarHBondContact O-N 3.43Å; Y439-W441 VanDerWaalsContact C-N 3.27Å; Y439-W441 PolarHBondContact O-N 3.49Å
442	N	89.2	Confident	88.4	Confident	6 Å²	6	28.6 Å²	28.6	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-108.2	14.8	-172.5	-66.2	-84.8	0	0	0	114.2	L64 V367 Q369 R403 R438 Y439	L64-N442 HydrophobicContact CD2-CB 4.2Å; V367-N442 PolarHBondContact O-ND2 3.48Å; Q369-N442 PolarHBondContact N-OD1 3.19Å; R403-N442 PolarHBondContact NH1-O 2.61Å; R438-N442 PolarHBondContact O-N 3.1Å; R438-N442 PolarHBondContact O-ND2 3.18Å; Y439-N442 PolarHBondContact O-N 3.41Å
443	Y	86.8	Confident	88.5	Confident	20 Å²	20	26.8 Å²	26.8	8%	0.078	13%	0.13	C	C	.	.	S	Bend	trans	-136.4	142.3	177.3	-168.4	-85.6	0	0	0	111	Y58 Y439 G446 Y464	Y58-Y443 HydrophobicContact CD2-CE2 4.35Å; Y439-Y443 HydrophobicContact CE1-CD1 4.21Å; Y439-Y443 HydrophobicContact CE1-CD2 4.19Å; Y439-Y443 AromaticContact CE1-CG 3.81Å; Y439-Y443 HydrophobicContact CE1-CG 3.81Å; Y439-Y443 AromaticContact CZ-CD2 3.83Å; Y439-Y443 AromaticContact CZ-CG 3.94Å; Y439-Y443 VanDerWaalsContact O-CB 3.32Å; Y439-Y443 WeakPolarHBondContact O-CB 3.43Å; Y439-Y443 PolarHBondContact O-N 2.73Å; Y439-Y443 VanDerWaalsContact O-N 3.09Å; Y439-Y443 WeakPolarHBondContact OH-CD2 3.42Å; Y439-Y443 WeakPolarHBondContact OH-CE2 3.36Å; Y443-G446 PolarHBondContact O-N 2.98Å; Y443-Y464 AromaticContact CD1-CD1 3.67Å; Y443-Y464 HydrophobicContact CD1-CD1 3.67Å; Y443-Y464 AromaticContact CD1-CE1 3.45Å; Y443-Y464 HydrophobicContact CD1-CE1 3.45Å; Y443-Y464 VanDerWaalsContact CD1-CE1 3.45Å; Y443-Y464 AromaticContact CE1-CD1 3.97Å; Y443-Y464 HydrophobicContact CE1-CD1 3.97Å; Y443-Y464 HydrophobicContact CE1-CE1 4.19Å; Y443-Y464 HydrophobicContact CG-CD1 4.46Å; Y443-Y464 HydrophobicContact CG-CE1 4.12Å
444	L	85.6	Confident	88.9	Confident	47 Å²	47	22.8 Å²	22.8	25%	0.246	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	131.2	-179.4	-72.3	171.9	0	0	0	110.8	M406	M406-L444 HydrophobicContact CB-CD2 4.32Å; M406-L444 HydrophobicContact CG-CD2 3.53Å; M406-L444 HydrophobicContact CG-CG 3.72Å
445	P	88.3	Confident	89.1	Confident	8 Å²	8	22.5 Å²	22.5	5%	0.052	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	3.3	21.5	37.6	-40.1	0	0	0	115.7	L449 V450 F463 A659	P445-L449 HydrophobicContact CB-CB 3.99Å; P445-L449 HydrophobicContact CB-CD1 4.08Å; P445-L449 HydrophobicContact CG-CB 3.92Å; P445-V450 HydrophobicContact CG-CG2 3.83Å; P445-F463 HydrophobicContact CG-CD2 3.98Å; P445-F463 HydrophobicContact CG-CE2 3.99Å; P445-F463 HydrophobicContact CG-CG 4.39Å; P445-F463 HydrophobicContact CG-CZ 4.39Å; P445-A659 WeakPolarHBondContact CB-O 3.04Å
446	G	89.5	Confident	89	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.			trans	87	168	-172.7	0	0	0	0	0	113.7	Y411 M440 Y443 L448 L449 V450	Y411-G446 VanDerWaalsContact OH-CA 3.25Å; Y411-G446 WeakPolarHBondContact OH-CA 3.35Å; M440-G446 CarbonylContact O-C 3.54Å; Y443-G446 PolarHBondContact O-N 2.98Å; G446-L448 VanDerWaalsContact C-N 3.27Å; G446-L448 PolarHBondContact O-N 3.34Å; G446-L449 PolarHBondContact O-N 3.32Å; G446-V450 WeakPolarHBondContact O-CG2 3.34Å; G446-V450 PolarHBondContact O-N 2.95Å
447	G	89.6	Confident	89	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.3	-171.6	0	0	0	0	0	114.8	Y411 R436 M440 L449 V450	Y411-G447 PolarHBondContact OH-N 2.86Å; R436-G447 PolarHBondContact NE-O 3.14Å; R436-G447 PolarHBondContact NH2-O 2.9Å; M440-G447 PolarHBondContact O-N 3.35Å; G447-L449 VanDerWaalsContact C-N 3.33Å; G447-L449 PolarHBondContact O-N 3.21Å; G447-V450 VanDerWaalsContact O-O 3.12Å
448	L	90.9	Very high	89	Confident	14 Å²	14	26.5 Å²	26.5	7%	0.073	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.1	178.9	-63.1	-175.6	0	0	0	112.9	A410 Y411 K417 L420 E424 G446	A410-L448 WeakPolarHBondContact O-CD1 3.3Å; Y411-L448 HydrophobicContact CD1-CG 4.36Å; Y411-L448 HydrophobicContact CE1-CG 4.32Å; K417-L448 HydrophobicContact CB-CD1 4.13Å; K417-L448 HydrophobicContact CG-CD1 4.05Å; L420-L448 HydrophobicContact CB-CD2 4.03Å; E424-L448 HydrophobicContact CG-CD2 3.94Å; G446-L448 VanDerWaalsContact C-N 3.27Å; G446-L448 PolarHBondContact O-N 3.34Å
449	L	90.9	Very high	89.1	Confident	19 Å²	19	22.9 Å²	22.9	10%	0.099	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.5	-176.7	-68.8	174.9	0	0	0	113.4	P445 G446 G447 Y624 Y632 A659	P445-L449 HydrophobicContact CB-CB 3.99Å; P445-L449 HydrophobicContact CB-CD1 4.08Å; P445-L449 HydrophobicContact CG-CB 3.92Å; G446-L449 PolarHBondContact O-N 3.32Å; G447-L449 VanDerWaalsContact C-N 3.33Å; G447-L449 PolarHBondContact O-N 3.21Å; L449-Y624 PolarHBondContact O-OH 3.36Å; L449-Y632 HydrophobicContact CD2-CD1 4.05Å; L449-Y632 HydrophobicContact CD2-CD2 4.02Å; L449-Y632 HydrophobicContact CD2-CE1 3.63Å; L449-Y632 HydrophobicContact CD2-CE2 3.59Å; L449-Y632 HydrophobicContact CD2-CG 4.23Å; L449-A659 HydrophobicContact CD1-CB 4.1Å
450	V	92.3	Very high	89.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.			trans	-102.8	104	172.3	-179.5	0	0	0	0	107.3	R436 M440 P445 G446 G447 P452 F461 Y464 Y624	R436-V450 PolarHBondContact NE-O 3.5Å; R436-V450 PolarHBondContact NH2-O 3.29Å; R436-V450 VanDerWaalsContact NH2-O 3.17Å; M440-V450 HydrophobicContact CB-CG1 4.21Å; M440-V450 HydrophobicContact CE-CG1 4.38Å; M440-V450 HydrophobicContact CG-CG1 3.89Å; M440-V450 HydrophobicContact SD-CG1 3.8Å; P445-V450 HydrophobicContact CG-CG2 3.83Å; G446-V450 WeakPolarHBondContact O-CG2 3.34Å; G446-V450 PolarHBondContact O-N 2.95Å; G447-V450 VanDerWaalsContact O-O 3.12Å; V450-P452 WeakPolarHBondContact O-CD 3.31Å; V450-F461 HydrophobicContact CG1-CD1 4.24Å; V450-F461 HydrophobicContact CG1-CE1 3.79Å; V450-F461 HydrophobicContact CG1-CE2 4.14Å; V450-F461 HydrophobicContact CG1-CZ 3.74Å; V450-Y464 WeakPolarHBondContact CG2-OH 3.28Å; V450-Y624 WeakPolarHBondContact CA-OH 3.34Å
451	L	91.3	Very high	89.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.			trans	-93	113.1	-176.4	-62.2	-171.1	0	0	0	109.8	E453 F454 Y624 F627 L628 H631	L451-E453 WeakPolarHBondContact CB-OE2 3.43Å; L451-E453 PolarHBondContact O-N 2.9Å; L451-F454 WeakPolarHBondContact O-CB 3.34Å; L451-F454 PolarHBondContact O-N 3.22Å; L451-Y624 PolarHBondContact N-OH 3.1Å; L451-F627 HydrophobicContact CB-CD1 4.2Å; L451-F627 HydrophobicContact CB-CE1 3.75Å; L451-F627 HydrophobicContact CD1-CD1 3.92Å; L451-F627 HydrophobicContact CD1-CE1 3.68Å; L451-F627 HydrophobicContact CG-CE1 4.37Å; L451-L628 HydrophobicContact CD1-CD2 3.85Å; L451-L628 HydrophobicContact CG-CD2 3.93Å; L451-H631 HydrophobicContact CD1-CB 3.95Å
452	P	88.6	Confident	89.4	Confident	6 Å²	6	26.2 Å²	26.2	4%	0.039	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-13.8	-174.8	33.8	-39.8	0	0	0	112.3	V434 R436 V450 F454 S455	V434-P452 HydrophobicContact CG1-CB 3.93Å; V434-P452 HydrophobicContact CG1-CG 4.44Å; V434-P452 WeakPolarHBondContact CG1-O 3.15Å; V434-P452 WeakPolarHBondContact O-CB 3.31Å; V434-P452 VanDerWaalsContact O-CG 3.3Å; V434-P452 WeakPolarHBondContact O-CG 3.27Å; R436-P452 HydrophobicContact CG-CB 4.07Å; R436-P452 HydrophobicContact CG-CG 4.04Å; V450-P452 WeakPolarHBondContact O-CD 3.31Å; P452-F454 PolarHBondContact O-N 3.32Å; P452-S455 CarbonylContact O-C 3.47Å; P452-S455 PolarHBondContact O-N 3.13Å
453	E	88.3	Confident	89.4	Confident	40 Å²	40	26.6 Å²	26.6	19%	0.187	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.9	171.9	-58.7	93	154.2	0	0	113.1	R106 K427 L451 F627	R106-E453 PolarHBondContact NH1-O 2.8Å; K427-E453 WeakPolarHBondContact CE-OE1 3.47Å; K427-E453 IonicContact NZ-OE1 3.57Å; K427-E453 PolarHBondContact NZ-OE1 3.06Å; L451-E453 WeakPolarHBondContact CB-OE2 3.43Å; L451-E453 PolarHBondContact O-N 2.9Å; E453-F627 HydrophobicContact CB-CE1 4.24Å; E453-F627 HydrophobicContact CB-CZ 3.74Å
454	F	89.8	Confident	89.5	Confident	47 Å²	47	25.6 Å²	25.6	21%	0.206	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-51.3	173.4	178.8	-105.1	0	0	0	111.1	L451 P452 H460 F461 Y624 F627	L451-F454 WeakPolarHBondContact O-CB 3.34Å; L451-F454 PolarHBondContact O-N 3.22Å; P452-F454 PolarHBondContact O-N 3.32Å; F454-H460 HydrophobicContact CE1-CB 4.07Å; F454-F461 HydrophobicContact CD1-CD1 4.38Å; F454-F461 AromaticContact CD1-CE1 3.89Å; F454-F461 HydrophobicContact CD1-CE1 3.89Å; F454-F461 HydrophobicContact CD1-CZ 4.12Å; F454-Y624 HydrophobicContact CB-CD2 4.15Å; F454-Y624 HydrophobicContact CB-CE2 3.9Å; F454-Y624 AromaticContact CD1-CD2 3.45Å; F454-Y624 HydrophobicContact CD1-CD2 3.45Å; F454-Y624 VanDerWaalsContact CD1-CD2 3.45Å; F454-Y624 AromaticContact CD1-CE2 3.89Å; F454-Y624 HydrophobicContact CD1-CE2 3.89Å; F454-Y624 HydrophobicContact CD1-CG 4.46Å; F454-Y624 HydrophobicContact CD2-CD2 4.04Å; F454-Y624 AromaticContact CE1-CD2 3.75Å; F454-Y624 HydrophobicContact CE1-CD2 3.75Å; F454-Y624 HydrophobicContact CE1-CG 4.39Å; F454-Y624 HydrophobicContact CE2-CD2 4.31Å; F454-Y624 AromaticContact CG-CD2 3.6Å; F454-Y624 HydrophobicContact CG-CD2 3.6Å; F454-Y624 AromaticContact CG-CE2 3.88Å; F454-Y624 HydrophobicContact CG-CE2 3.88Å; F454-Y624 HydrophobicContact CZ-CD2 4.17Å; F454-F627 HydrophobicContact CB-CD1 3.79Å; F454-F627 HydrophobicContact CB-CD2 4.44Å; F454-F627 HydrophobicContact CB-CE1 3.9Å; F454-F627 HydrophobicContact CB-CG 4.08Å; F454-F627 HydrophobicContact CB-CZ 4.28Å; F454-F627 HydrophobicContact CD2-CB 3.94Å; F454-F627 HydrophobicContact CD2-CD1 4.39Å; F454-F627 HydrophobicContact CD2-CD2 4.02Å; F454-F627 AromaticContact CD2-CG 3.85Å; F454-F627 HydrophobicContact CD2-CG 3.85Å; F454-F627 HydrophobicContact CE2-CB 4.48Å; F454-F627 HydrophobicContact CG-CD1 4.45Å; F454-F627 HydrophobicContact CG-CG 4.35Å
455	S	89.5	Confident	89.6	Confident	12 Å²	12	23.7 Å²	23.7	8%	0.084	12%	0.124	C	C	.	.			trans	-166.9	146.6	-179.4	178	0	0	0	0	110.8	P452 H457 H460 F461	P452-S455 CarbonylContact O-C 3.47Å; P452-S455 PolarHBondContact O-N 3.13Å; S455-H457 PolarHBondContact OG-N 2.87Å; S455-H457 PolarHBondContact OG-O 2.92Å; S455-H460 WeakPolarHBondContact CB-ND1 3.15Å; S455-H460 PolarHBondContact OG-ND1 3.37Å; S455-F461 VanDerWaalsContact O-CE2 3.31Å; S455-F461 WeakPolarHBondContact O-CE2 3.4Å; S455-F461 WeakPolarHBondContact O-CZ 3.5Å
456	T	86	Confident	89.3	Confident	61 Å²	61	26.9 Å²	26.9	37%	0.374	14%	0.14	S	C	.	.	S	Bend	trans	-89.5	-13.2	167.8	53.1	0	0	0	0	112.8	V434 M440	V434-T456 HydrophobicContact CG1-CG2 4.06Å; M440-T456 VanDerWaalsContact CE-O 3.24Å; M440-T456 WeakPolarHBondContact CE-O 3.38Å
457	H	89.1	Confident	88.7	Confident	120 Å²	120	27.4 Å²	27.4	56%	0.556	15%	0.146	S	C	*	.			trans	-86.1	128.7	-179.2	-62.7	84.1	0	0	0	111.3	S455 A459 H460 F461	S455-H457 PolarHBondContact OG-N 2.87Å; S455-H457 PolarHBondContact OG-O 2.92Å; H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 2.85Å; H457-H460 PolarHBondContact O-N 3.31Å; H457-F461 WeakPolarHBondContact O-CD2 3.46Å; H457-F461 WeakPolarHBondContact O-CE2 3.38Å
458	L	89	Confident	88.4	Confident	23 Å²	23	30.3 Å²	30.3	12%	0.12	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61	-36	179.4	-65.3	171.8	0	0	0	112.4	L61 Y439 M440 H460 F461 Y464 L468	L61-L458 HydrophobicContact CD1-CD1 3.96Å; Y439-L458 HydrophobicContact CD1-CD1 3.98Å; Y439-L458 HydrophobicContact CD1-CD2 3.86Å; Y439-L458 HydrophobicContact CG-CD1 4.2Å; M440-L458 HydrophobicContact CE-CD2 3.68Å; M440-L458 HydrophobicContact CE-CG 4.34Å; M440-L458 HydrophobicContact CG-CD2 3.6Å; M440-L458 HydrophobicContact SD-CD2 4.47Å; L458-H460 PolarHBondContact O-N 3.07Å; L458-F461 PolarHBondContact O-N 2.94Å; L458-F461 VanDerWaalsContact O-N 3.13Å; L458-Y464 HydrophobicContact CB-CD2 4.04Å; L458-Y464 HydrophobicContact CB-CG 4.46Å; L458-Y464 HydrophobicContact CD2-CD2 3.7Å; L458-Y464 HydrophobicContact CD2-CE2 3.61Å; L458-Y464 HydrophobicContact CD2-CG 4.27Å; L458-Y464 WeakPolarHBondContact O-CD2 3.39Å; L458-L468 HydrophobicContact CB-CD1 3.82Å
459	A	88.4	Confident	88	Confident	37 Å²	37	32.8 Å²	32.8	31%	0.306	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68.6	-2.6	-177.7	0	0	0	0	0	114.6	H457 Y465 L468	H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 2.85Å; A459-Y465 WeakPolarHBondContact O-CE1 3.42Å; A459-Y465 PolarHBondContact O-OH 2.89Å; A459-L468 HydrophobicContact CB-CD1 4.41Å
460	H	90.5	Very high	87.7	Confident	88 Å²	88	35 Å²	35	41%	0.407	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-95.9	-7.2	174.2	-63	170	0	0	0	113.1	F454 S455 H457 L458 H622	F454-H460 HydrophobicContact CE1-CB 4.07Å; S455-H460 WeakPolarHBondContact CB-ND1 3.15Å; S455-H460 PolarHBondContact OG-ND1 3.37Å; H457-H460 PolarHBondContact O-N 3.31Å; L458-H460 PolarHBondContact O-N 3.07Å; H460-H622 PolarHBondContact O-CE1 2.81Å
461	F	92.3	Very high	87.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-105.4	131.8	179	-57.7	-91.1	0	0	0	110.3	M440 V450 F454 S455 H457 L458 F463 Y464 Y465 Y624	M440-F461 HydrophobicContact CE-CD2 4.37Å; M440-F461 HydrophobicContact CE-CE2 3.78Å; V450-F461 HydrophobicContact CG1-CD1 4.24Å; V450-F461 HydrophobicContact CG1-CE1 3.79Å; V450-F461 HydrophobicContact CG1-CE2 4.14Å; V450-F461 HydrophobicContact CG1-CZ 3.74Å; F454-F461 HydrophobicContact CD1-CD1 4.38Å; F454-F461 AromaticContact CD1-CE1 3.89Å; F454-F461 HydrophobicContact CD1-CE1 3.89Å; F454-F461 HydrophobicContact CD1-CZ 4.12Å; S455-F461 VanDerWaalsContact O-CE2 3.31Å; S455-F461 WeakPolarHBondContact O-CE2 3.4Å; S455-F461 WeakPolarHBondContact O-CZ 3.5Å; H457-F461 WeakPolarHBondContact O-CD2 3.46Å; H457-F461 WeakPolarHBondContact O-CE2 3.38Å; L458-F461 PolarHBondContact O-N 2.94Å; L458-F461 VanDerWaalsContact O-N 3.13Å; F461-F463 HydrophobicContact CB-CD2 4.18Å; F461-F463 PolarHBondContact O-N 3.21Å; F461-F463 VanDerWaalsContact O-N 3.14Å; F461-Y464 HydrophobicContact CB-CD2 3.69Å; F461-Y464 HydrophobicContact CB-CE2 3.9Å; F461-Y464 HydrophobicContact CD2-CD2 4.23Å; F461-Y464 HydrophobicContact CD2-CE2 4.1Å; F461-Y464 HydrophobicContact CG-CD2 4.31Å; F461-Y464 HydrophobicContact CG-CE2 4.16Å; F461-Y464 PolarHBondContact O-N 3.4Å; F461-Y465 VanDerWaalsContact O-CD1 3.26Å; F461-Y465 WeakPolarHBondContact O-CD1 3.45Å; F461-Y465 WeakPolarHBondContact O-CE1 3.17Å; F461-Y624 HydrophobicContact CD1-CD1 4.07Å; F461-Y624 AromaticContact CD1-CD2 3.93Å; F461-Y624 HydrophobicContact CD1-CD2 3.93Å; F461-Y624 AromaticContact CD1-CE1 3.82Å; F461-Y624 HydrophobicContact CD1-CE1 3.82Å; F461-Y624 AromaticContact CD1-CE2 3.7Å; F461-Y624 HydrophobicContact CD1-CE2 3.7Å; F461-Y624 HydrophobicContact CD1-CG 4.13Å; F461-Y624 AromaticContact CD1-CZ 3.64Å; F461-Y624 AromaticContact CE1-CD2 3.92Å; F461-Y624 HydrophobicContact CE1-CD2 3.92Å; F461-Y624 HydrophobicContact CE1-CE1 4.19Å; F461-Y624 AromaticContact CE1-CE2 3.36Å; F461-Y624 HydrophobicContact CE1-CE2 3.36Å; F461-Y624 AromaticContact CE1-CZ 3.51Å
462	P	91.6	Very high	87.2	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.019	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-67.1	-24.2	-170.2	27.7	-35.5	0	0	0	113.1	Y464 P581 D582 H622	P462-Y464 VanDerWaalsContact C-N 3.25Å; P462-Y464 PolarHBondContact O-N 2.93Å; P462-P581 HydrophobicContact CB-CB 4.5Å; P462-D582 HydrophobicContact CB-CB 4.31Å; P462-H622 HydrophobicContact CB-CB 4.15Å; P462-H622 HydrophobicContact CG-CB 3.99Å
463	F	89.1	Confident	87.1	Confident	13 Å²	13	40 Å²	40	6%	0.057	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-68.7	-22.4	-177.7	-36.6	-70.7	0	0	0	113.6	P445 F461 D582 Y624 Y625 A659 T660	P445-F463 HydrophobicContact CG-CD2 3.98Å; P445-F463 HydrophobicContact CG-CE2 3.99Å; P445-F463 HydrophobicContact CG-CG 4.39Å; P445-F463 HydrophobicContact CG-CZ 4.39Å; F461-F463 HydrophobicContact CB-CD2 4.18Å; F461-F463 PolarHBondContact O-N 3.21Å; F461-F463 VanDerWaalsContact O-N 3.14Å; F463-D582 HydrophobicContact CD1-CB 4.23Å; F463-Y624 AromaticContact CE2-CD1 3.89Å; F463-Y624 HydrophobicContact CE2-CD1 3.89Å; F463-Y624 AromaticContact CE2-CE1 3.7Å; F463-Y624 HydrophobicContact CE2-CE1 3.7Å; F463-Y624 HydrophobicContact CZ-CD1 4.12Å; F463-Y624 HydrophobicContact CZ-CE1 4.12Å; F463-Y625 HydrophobicContact CE1-CE1 4.11Å; F463-Y625 AromaticContact CE1-CZ 3.99Å; F463-Y625 WeakPolarHBondContact CE1-OH 3.25Å; F463-Y625 AromaticContact CZ-CE1 3.86Å; F463-Y625 HydrophobicContact CZ-CE1 3.86Å; F463-A659 HydrophobicContact CE1-CB 4.22Å; F463-A659 HydrophobicContact CZ-CB 4.16Å; F463-T660 HydrophobicContact CD1-CG2 4Å; F463-T660 HydrophobicContact CE1-CG2 3.68Å
464	Y	89.1	Confident	87.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-96.4	-9.2	-174.4	-58.2	-49.4	0	0	0	113.7	Y439 M440 Y443 V450 L458 F461 P462 L466 G467 L468	Y439-Y464 HydrophobicContact CD1-CD1 4.17Å; Y439-Y464 AromaticContact CD1-CE1 3.92Å; Y439-Y464 HydrophobicContact CD1-CE1 3.92Å; Y439-Y464 AromaticContact CE1-CD1 3.53Å; Y439-Y464 HydrophobicContact CE1-CD1 3.53Å; Y439-Y464 AromaticContact CE1-CE1 3.63Å; Y439-Y464 HydrophobicContact CE1-CE1 3.63Å; Y439-Y464 HydrophobicContact CE1-CG 4.38Å; M440-Y464 WeakPolarHBondContact CA-OH 3.21Å; M440-Y464 HydrophobicContact CG-CE2 4.27Å; Y443-Y464 AromaticContact CD1-CD1 3.67Å; Y443-Y464 HydrophobicContact CD1-CD1 3.67Å; Y443-Y464 AromaticContact CD1-CE1 3.45Å; Y443-Y464 HydrophobicContact CD1-CE1 3.45Å; Y443-Y464 VanDerWaalsContact CD1-CE1 3.45Å; Y443-Y464 AromaticContact CE1-CD1 3.97Å; Y443-Y464 HydrophobicContact CE1-CD1 3.97Å; Y443-Y464 HydrophobicContact CE1-CE1 4.19Å; Y443-Y464 HydrophobicContact CG-CD1 4.46Å; Y443-Y464 HydrophobicContact CG-CE1 4.12Å; V450-Y464 WeakPolarHBondContact CG2-OH 3.28Å; L458-Y464 HydrophobicContact CB-CD2 4.04Å; L458-Y464 HydrophobicContact CB-CG 4.46Å; L458-Y464 HydrophobicContact CD2-CD2 3.7Å; L458-Y464 HydrophobicContact CD2-CE2 3.61Å; L458-Y464 HydrophobicContact CD2-CG 4.27Å; L458-Y464 WeakPolarHBondContact O-CD2 3.39Å; F461-Y464 HydrophobicContact CB-CD2 3.69Å; F461-Y464 HydrophobicContact CB-CE2 3.9Å; F461-Y464 HydrophobicContact CD2-CD2 4.23Å; F461-Y464 HydrophobicContact CD2-CE2 4.1Å; F461-Y464 HydrophobicContact CG-CD2 4.31Å; F461-Y464 HydrophobicContact CG-CE2 4.16Å; F461-Y464 PolarHBondContact O-N 3.4Å; P462-Y464 VanDerWaalsContact C-N 3.25Å; P462-Y464 PolarHBondContact O-N 2.93Å; Y464-L466 PolarHBondContact O-N 2.8Å; Y464-G467 PolarHBondContact O-N 2.78Å; Y464-G467 VanDerWaalsContact O-N 3.09Å; Y464-L468 WeakPolarHBondContact O-CG 3.39Å; Y464-L468 PolarHBondContact O-N 2.67Å
465	Y	87.6	Confident	87.6	Confident	6 Å²	6	46.2 Å²	46.2	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-48.2	-173.5	-73	8.1	0	0	0	112.2	A459 F461 G467 L468 G469 V470 P472 E554 P581 H622	A459-Y465 WeakPolarHBondContact O-CE1 3.42Å; A459-Y465 PolarHBondContact O-OH 2.89Å; F461-Y465 VanDerWaalsContact O-CD1 3.26Å; F461-Y465 WeakPolarHBondContact O-CD1 3.45Å; F461-Y465 WeakPolarHBondContact O-CE1 3.17Å; Y465-G467 VanDerWaalsContact C-N 3.34Å; Y465-G467 PolarHBondContact O-N 3.41Å; Y465-L468 PolarHBondContact O-N 3.24Å; Y465-G469 PolarHBondContact O-N 3.4Å; Y465-V470 WeakPolarHBondContact CB-O 3.45Å; Y465-V470 PolarHBondContact O-N 3.14Å; Y465-P472 HydrophobicContact CD2-CB 4.24Å; Y465-P472 HydrophobicContact CE2-CB 3.81Å; Y465-E554 PolarHBondContact OH-OE1 3.48Å; Y465-E554 VanDerWaalsContact OH-OE1 3.13Å; Y465-E554 PolarHBondContact OH-OE2 3.12Å; Y465-E554 VanDerWaalsContact OH-OE2 3.14Å; Y465-P581 HydrophobicContact CD2-CB 3.91Å; Y465-P581 HydrophobicContact CD2-CG 3.65Å; Y465-P581 HydrophobicContact CE2-CB 4.15Å; Y465-P581 HydrophobicContact CE2-CG 4.39Å; Y465-P581 HydrophobicContact CG-CG 4.48Å; Y465-H622 PolarHBondContact OH-NE2 2.99Å
466	L	81.9	Confident	87.9	Confident	75 Å²	75	45.6 Å²	45.6	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-38.2	178.6	-172	66.7	0	0	0	112.7	T50 R52 A53 Y464	T50-L466 HydrophobicContact CG2-CD2 4.48Å; R52-L466 HydrophobicContact CB-CD2 3.56Å; R52-L466 HydrophobicContact CG-CD2 4.45Å; A53-L466 HydrophobicContact CB-CD1 4.48Å; Y464-L466 PolarHBondContact O-N 2.8Å
467	G	77.1	Confident	88.4	Confident	12 Å²	12	42.7 Å²	42.7	12%	0.124	25%	0.252	C	S	.	.	H	α-helix	trans	-69.6	-35.6	179.6	0	0	0	0	0	112.7	Y464 Y465	Y464-G467 PolarHBondContact O-N 2.78Å; Y464-G467 VanDerWaalsContact O-N 3.09Å; Y465-G467 VanDerWaalsContact C-N 3.34Å; Y465-G467 PolarHBondContact O-N 3.41Å
468	L	83.6	Confident	88.7	Confident	60 Å²	60	37 Å²	37	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-87.1	-14.3	179.6	-63.2	173.7	0	0	0	113.4	L61 L458 A459 Y464 Y465 V470	L61-L468 HydrophobicContact CD1-CD2 4.31Å; L458-L468 HydrophobicContact CB-CD1 3.82Å; A459-L468 HydrophobicContact CB-CD1 4.41Å; Y464-L468 WeakPolarHBondContact O-CG 3.39Å; Y464-L468 PolarHBondContact O-N 2.67Å; Y465-L468 PolarHBondContact O-N 3.24Å; L468-V470 HydrophobicContact CB-CB 4.38Å; L468-V470 HydrophobicContact CB-CG2 3.79Å; L468-V470 PolarHBondContact O-N 3.23Å
469	G	82.4	Confident	89	Confident	66 Å²	66	35.9 Å²	35.9	68%	0.68	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	23.6	-171.6	0	0	0	0	0	113.3	Y465	Y465-G469 PolarHBondContact O-N 3.4Å
470	V	85.1	Confident	89.2	Confident	65 Å²	65	34.1 Å²	34.1	39%	0.394	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-94.6	139.7	178.9	177.3	0	0	0	0	109	Y465 L468	Y465-V470 WeakPolarHBondContact CB-O 3.45Å; Y465-V470 PolarHBondContact O-N 3.14Å; L468-V470 HydrophobicContact CB-CB 4.38Å; L468-V470 HydrophobicContact CB-CG2 3.79Å; L468-V470 PolarHBondContact O-N 3.23Å
471	S	83	Confident	89.2	Confident	74 Å²	74	30.7 Å²	30.7	52%	0.517	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-99	146.9	174.5	62.5	0	0	0	0	111.6
472	P	88.4	Confident	89.1	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.039	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-61	159.3	172.5	25	-32.8	0	0	0	111.9	Y465 E554 W577 R578 P581	Y465-P472 HydrophobicContact CD2-CB 4.24Å; Y465-P472 HydrophobicContact CE2-CB 3.81Å; P472-E554 VanDerWaalsContact CA-OE2 3.32Å; P472-E554 WeakPolarHBondContact CA-OE2 3.48Å; P472-W577 HydrophobicContact CB-CH2 3.94Å; P472-W577 HydrophobicContact CB-CZ3 3.77Å; P472-W577 HydrophobicContact CG-CZ3 4.21Å; P472-R578 HydrophobicContact CG-CB 3.95Å; P472-R578 HydrophobicContact CG-CG 4.07Å; P472-R578 WeakPolarHBondContact CG-O 3.31Å; P472-R578 PolarHBondContact O-NH2 2.87Å; P472-P581 HydrophobicContact CB-CB 4.34Å; P472-P581 HydrophobicContact CG-CB 4.18Å; P472-P581 HydrophobicContact CG-CG 4.48Å
473	G	87.2	Confident	88.8	Confident	31 Å²	31	34.3 Å²	34.3	32%	0.32	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-49.6	159.3	174	0	0	0	0	0	114.5	E554 R578	G473-E554 PolarHBondContact N-OE2 3.14Å; G473-R578 PolarHBondContact O-NE 3.1Å
474	H	92.7	Very high	88.5	Confident	120 Å²	120	36 Å²	36	56%	0.556	22%	0.224	S	C	*	.	S	Bend	trans	-88.5	-4.2	-175.3	-68	-83.7	0	0	0	114.4	Y505 F574 R578	H474-Y505 WeakPolarHBondContact O-CD1 3.47Å; H474-F574 VanDerWaalsContact O-CE1 3.26Å; H474-F574 WeakPolarHBondContact O-CE1 3.38Å; H474-F574 WeakPolarHBondContact O-CZ 3.46Å; H474-R578 PolarHBondContact CE1-NH2 3.24Å; H474-R578 VanDerWaalsContact CE1-NH2 3.26Å; H474-R578 PolarHBondContact ND1-NH2 3.18Å
475	E	95.4	Very high	88.2	Confident	98 Å²	98	37.9 Å²	37.9	46%	0.458	24%	0.236	S	C	.	.			trans	-130.5	162.3	-174.5	-58.2	-176.7	171.2	0	0	112	Y505 S507 T553	E475-Y505 CarbonylContact C-O 3.5Å; E475-Y505 VanDerWaalsContact CA-O 3.22Å; E475-Y505 WeakPolarHBondContact CA-O 3.28Å; E475-S507 WeakPolarHBondContact OE2-CB 2.98Å; E475-S507 PolarHBondContact OE2-OG 3.28Å; E475-T553 HydrophobicContact CB-CG2 4.29Å
476	F	96.3	Very high	87.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.7	175.9	69.9	-97.3	0	0	0	112.7	A478 V500 Y505 C506 S507 A555 L557 V570 F574 F620	F476-A478 HydrophobicContact CE2-CB 4.23Å; F476-V500 HydrophobicContact CE2-CG1 4.28Å; F476-Y505 VanDerWaalsContact CD1-O 3.25Å; F476-Y505 WeakPolarHBondContact CD1-O 3.44Å; F476-Y505 PolarHBondContact N-O 3.38Å; F476-C506 HydrophobicContact CE1-CB 4.33Å; F476-C506 HydrophobicContact CE2-CB 3.97Å; F476-C506 HydrophobicContact CZ-CB 3.75Å; F476-S507 PolarHBondContact O-N 3.22Å; F476-A555 WeakPolarHBondContact CA-O 3.42Å; F476-A555 HydrophobicContact CB-CB 3.62Å; F476-L557 HydrophobicContact CD2-CB 3.77Å; F476-L557 HydrophobicContact CD2-CD2 4.29Å; F476-L557 HydrophobicContact CE2-CB 4Å; F476-L557 HydrophobicContact CE2-CD2 3.66Å; F476-L557 HydrophobicContact CE2-CG 4.49Å; F476-L557 HydrophobicContact CZ-CD2 4.17Å; F476-V570 HydrophobicContact CE1-CG1 4.16Å; F476-V570 HydrophobicContact CE2-CG1 4.4Å; F476-V570 HydrophobicContact CZ-CG1 3.59Å; F476-F574 HydrophobicContact CB-CD2 4.05Å; F476-F574 HydrophobicContact CB-CE2 3.88Å; F476-F574 HydrophobicContact CD1-CB 4.27Å; F476-F574 HydrophobicContact CD1-CD1 4.27Å; F476-F574 AromaticContact CD1-CD2 3.67Å; F476-F574 HydrophobicContact CD1-CD2 3.67Å; F476-F574 HydrophobicContact CD1-CE2 4.03Å; F476-F574 AromaticContact CD1-CG 3.8Å; F476-F574 HydrophobicContact CD1-CG 3.8Å; F476-F574 HydrophobicContact CD1-CZ 4.45Å; F476-F574 HydrophobicContact CE1-CB 4.39Å; F476-F574 HydrophobicContact CE1-CG 4.31Å; F476-F574 HydrophobicContact CG-CD2 4.23Å; F476-F574 HydrophobicContact CG-CE2 4.44Å; F476-F620 HydrophobicContact CB-CE1 3.93Å; F476-F620 AromaticContact CD1-CE1 3.81Å; F476-F620 HydrophobicContact CD1-CE1 3.81Å; F476-F620 HydrophobicContact CD1-CZ 4.16Å; F476-F620 AromaticContact CD2-CE1 3.88Å; F476-F620 HydrophobicContact CD2-CE1 3.88Å; F476-F620 HydrophobicContact CD2-CZ 4.38Å; F476-F620 HydrophobicContact CE1-CE1 4.26Å; F476-F620 HydrophobicContact CE1-CZ 4.15Å; F476-F620 HydrophobicContact CE2-CE1 4.35Å; F476-F620 HydrophobicContact CE2-CZ 4.41Å; F476-F620 AromaticContact CG-CE1 3.61Å; F476-F620 HydrophobicContact CG-CE1 3.61Å; F476-F620 HydrophobicContact CG-CZ 4.28Å; F476-F620 HydrophobicContact CZ-CZ 4.3Å
477	T	96.6	Very high	87.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.3	171.1	-64.4	0	0	0	0	108.8	V479 Q508 I510 I551 T553 A555 V556 L557	T477-V479 HydrophobicContact CG2-CG2 4.36Å; T477-Q508 HydrophobicContact CG2-CG 3.64Å; T477-Q508 VanDerWaalsContact OG1-CG 3.23Å; T477-Q508 WeakPolarHBondContact OG1-CG 3.2Å; T477-Q508 PolarHBondContact OG1-NE2 3.18Å; T477-I510 HydrophobicContact CG2-CD1 3.7Å; T477-I510 HydrophobicContact CG2-CG1 4.01Å; T477-I551 HydrophobicContact CG2-CG1 4.16Å; T477-I551 HydrophobicContact CG2-CG2 4.36Å; T477-T553 VanDerWaalsContact CB-OG1 3.23Å; T477-T553 WeakPolarHBondContact CB-OG1 3.48Å; T477-T553 PolarHBondContact N-OG1 3.1Å; T477-T553 PolarHBondContact OG1-OG1 2.91Å; T477-A555 PolarHBondContact N-O 2.95Å; T477-A555 VanDerWaalsContact N-O 3.11Å; T477-V556 WeakPolarHBondContact O-CA 3.4Å; T477-L557 PolarHBondContact O-N 3.05Å
478	A	95.8	Very high	87.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.2	174.4	0	0	0	0	0	110.6	F476 V500 Q508 I509 I510 L557	F476-A478 HydrophobicContact CE2-CB 4.23Å; A478-V500 HydrophobicContact CB-CG1 3.54Å; A478-Q508 PolarHBondContact N-O 3.06Å; A478-I509 HydrophobicContact CB-CG1 4.29Å; A478-I509 CarbonylContact O-C 3.6Å; A478-I509 WeakPolarHBondContact O-CA 3.01Å; A478-I510 PolarHBondContact O-N 3.38Å; A478-L557 CarbonylContact C-O 3.58Å; A478-L557 WeakPolarHBondContact CA-O 3.4Å; A478-L557 HydrophobicContact CB-CB 4.41Å
479	V	94.9	Very high	87.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	110.4	176.4	180	0	0	0	0	107.9	T477 I510 L512 I551 V556 L557 L559	T477-V479 HydrophobicContact CG2-CG2 4.36Å; V479-I510 CarbonylContact C-O 3.51Å; V479-I510 WeakPolarHBondContact CA-O 3.44Å; V479-I510 HydrophobicContact CG2-CB 4.46Å; V479-L512 HydrophobicContact CG1-CD1 3.39Å; V479-L512 HydrophobicContact CG1-CG 3.83Å; V479-I551 HydrophobicContact CG2-CD1 4.04Å; V479-I551 HydrophobicContact CG2-CG1 4.47Å; V479-V556 HydrophobicContact CB-CG1 4.39Å; V479-V556 HydrophobicContact CG2-CG1 3.76Å; V479-L557 PolarHBondContact N-O 3.49Å; V479-L559 PolarHBondContact O-N 3.36Å
480	I	93.2	Very high	87.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	-179.5	-57.5	174.3	0	0	0	108.6	I493 L496 L497 I509 I510 I511 L512 L559	I480-I493 HydrophobicContact CG2-CD1 4.13Å; I480-I493 HydrophobicContact CG2-CG1 4.24Å; I480-L496 HydrophobicContact CD1-CD2 4.28Å; I480-L496 HydrophobicContact CD1-CG 4.36Å; I480-L496 HydrophobicContact CG2-CD2 4.35Å; I480-L497 HydrophobicContact CD1-CD2 3.58Å; I480-L497 HydrophobicContact CD1-CG 4.26Å; I480-I509 HydrophobicContact CD1-CG2 3.9Å; I480-I509 HydrophobicContact CG1-CG2 4.42Å; I480-I510 PolarHBondContact N-O 3.3Å; I480-I511 WeakPolarHBondContact O-CA 3.45Å; I480-L512 PolarHBondContact O-N 2.67Å; I480-L559 WeakPolarHBondContact CA-O 3.38Å; I480-L559 HydrophobicContact CG1-CB 4.15Å; I480-L559 HydrophobicContact CG1-CD1 4.23Å
481	H	90.6	Very high	87.3	Confident	16 Å²	16	45.4 Å²	45.4	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	109.5	176	-165.9	169.9	0	0	0	109.9	N514 L559 E561	H481-N514 PolarHBondContact NE2-ND2 3.29Å; H481-L559 PolarHBondContact N-O 2.94Å; H481-E561 WeakPolarHBondContact O-CB 3.34Å; H481-E561 PolarHBondContact O-N 3.4Å
482	A	88.9	Confident	87.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.1	178.2	0	0	0	0	0	110.4	I493 I511 L512 W513 N514 E561	A482-I493 HydrophobicContact CB-CD1 3.86Å; A482-I511 HydrophobicContact CB-CG2 3.88Å; A482-L512 PolarHBondContact N-O 3.01Å; A482-W513 HydrophobicContact CB-CE3 3.86Å; A482-W513 HydrophobicContact CB-CZ3 4.13Å; A482-N514 WeakPolarHBondContact O-CA 3.37Å; A482-N514 WeakPolarHBondContact O-CB 3.34Å; A482-N514 PolarHBondContact O-N 3.48Å; A482-E561 WeakPolarHBondContact CA-OE2 3.45Å
483	V	85.4	Confident	87.3	Confident	78 Å²	78	45.3 Å²	45.3	47%	0.473	26%	0.263	S	S	.	.			trans	-111.5	-24.2	179.1	-65.8	0	0	0	0	111.7	N514 S515 E561	V483-N514 HydrophobicContact CG1-CB 4.16Å; V483-S515 WeakPolarHBondContact O-CA 3.15Å; V483-E561 VanDerWaalsContact CG2-OE1 3.28Å; V483-E561 WeakPolarHBondContact CG2-OE1 3.44Å; V483-E561 PolarHBondContact N-OE2 2.76Å
484	S	84.1	Confident	87.4	Confident	50 Å²	50	44.1 Å²	44.1	35%	0.35	25%	0.249	S	C	.	.	S	Bend	trans	-94.3	146.1	179.4	-58.5	0	0	0	0	111.6	E561	S484-E561 WeakPolarHBondContact CB-OE1 3.35Å; S484-E561 PolarHBondContact N-OE1 2.86Å; S484-E561 PolarHBondContact N-OE2 3.46Å; S484-E561 PolarHBondContact OG-OE1 3.06Å
485	P	81.3	Confident	87.2	Confident	38 Å²	38	44.6 Å²	44.6	25%	0.247	25%	0.25	C	C	.	.			trans	-66.2	149	172.5	28.6	-33.7	0	0	0	110.6	V487 Q491 S515 K517	P485-V487 HydrophobicContact CB-CG2 4.49Å; P485-V487 HydrophobicContact CG-CG2 4.19Å; P485-V487 PolarHBondContact O-N 3.47Å; P485-Q491 PolarHBondContact O-NE2 3.22Å; P485-Q491 VanDerWaalsContact O-NE2 3.11Å; P485-S515 WeakPolarHBondContact CA-OG 3.3Å; P485-S515 WeakPolarHBondContact CD-OG 3.37Å; P485-S515 VanDerWaalsContact N-OG 3.14Å; P485-K517 HydrophobicContact CB-CB 4.16Å; P485-K517 HydrophobicContact CB-CD 3.86Å; P485-K517 HydrophobicContact CB-CG 4.25Å; P485-K517 HydrophobicContact CG-CD 4.39Å
486	L	80.8	Confident	86.9	Confident	39 Å²	39	40.1 Å²	40.1	20%	0.204	23%	0.229	C	C	.	.			trans	-78.6	106.7	173.8	-170.6	79.8	0	0	0	109.2	Q491 I493 M494 W513 P520	L486-Q491 VanDerWaalsContact CA-OE1 3.32Å; L486-I493 HydrophobicContact CD1-CG2 3.94Å; L486-M494 HydrophobicContact CD1-CE 3.76Å; L486-M494 HydrophobicContact CD1-CG 4.1Å; L486-M494 HydrophobicContact CD1-SD 3.91Å; L486-M494 HydrophobicContact CD2-CE 3.45Å; L486-M494 VanDerWaalsContact CD2-CE 3.45Å; L486-M494 HydrophobicContact CG-CE 4.2Å; L486-W513 HydrophobicContact CB-CH2 4.08Å; L486-P520 HydrophobicContact CB-CG 4.09Å; L486-P520 HydrophobicContact CD2-CB 4.13Å; L486-P520 HydrophobicContact CD2-CG 3.67Å
487	V	79.1	Confident	86.7	Confident	115 Å²	115	40.1 Å²	40.1	70%	0.697	23%	0.229	S	C	*	.			trans	-107	-29.4	-178.5	-171	0	0	0	0	111.7	P485	P485-V487 HydrophobicContact CB-CG2 4.49Å; P485-V487 HydrophobicContact CG-CG2 4.19Å; P485-V487 PolarHBondContact O-N 3.47Å
488	S	78.9	Confident	86.4	Confident	51 Å²	51	44 Å²	44	36%	0.357	25%	0.247	S	C	.	.			trans	-146.3	146.1	-176.1	176.4	0	0	0	0	112.6	S490 Q491	S488-S490 PolarHBondContact O-N 3.36Å; S488-S490 PolarHBondContact OG-N 3.37Å; S488-S490 VanDerWaalsContact OG-N 3.1Å; S488-S490 PolarHBondContact OG-OG 3.4Å; S488-Q491 VanDerWaalsContact N-OE1 3.08Å; S488-Q491 WeakPolarHBondContact O-CB 3.23Å; S488-Q491 WeakPolarHBondContact O-CG 3.07Å; S488-Q491 PolarHBondContact O-N 3.26Å; S488-Q491 PolarHBondContact O-OE1 2.03Å
489	Q	77.6	Confident	86.2	Confident	113 Å²	113	45.3 Å²	45.3	53%	0.528	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.2	171.6	-67.5	-65	-28.4	0	0	113.1	Q491 M494 K524	Q489-Q491 VanDerWaalsContact C-N 3.33Å; Q489-M494 VanDerWaalsContact OE1-CE 3.23Å; Q489-K524 PolarHBondContact NE2-O 3.28Å
490	S	78.9	Confident	86.1	Confident	81 Å²	81	45.3 Å²	45.3	57%	0.566	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.4	176.6	63.1	0	0	0	0	114.3	S488	S488-S490 PolarHBondContact O-N 3.36Å; S488-S490 PolarHBondContact OG-N 3.37Å; S488-S490 VanDerWaalsContact OG-N 3.1Å; S488-S490 PolarHBondContact OG-OG 3.4Å
491	Q	83.7	Confident	86.1	Confident	43 Å²	43	45.7 Å²	45.7	20%	0.201	26%	0.257	C	S	.	.	S	Bend	trans	-62.2	149.1	-179	-77.8	175.7	-65.1	0	0	112.1	P485 L486 S488 Q489 I493 M494	P485-Q491 PolarHBondContact O-NE2 3.22Å; P485-Q491 VanDerWaalsContact O-NE2 3.11Å; L486-Q491 VanDerWaalsContact CA-OE1 3.32Å; S488-Q491 VanDerWaalsContact N-OE1 3.08Å; S488-Q491 WeakPolarHBondContact O-CB 3.23Å; S488-Q491 WeakPolarHBondContact O-CG 3.07Å; S488-Q491 PolarHBondContact O-N 3.26Å; S488-Q491 PolarHBondContact O-OE1 2.03Å; Q489-Q491 VanDerWaalsContact C-N 3.33Å; Q491-I493 VanDerWaalsContact C-N 3.26Å; Q491-I493 HydrophobicContact CB-CG2 4.24Å; Q491-I493 PolarHBondContact O-N 3.27Å; Q491-M494 PolarHBondContact O-N 3.39Å; Q491-M494 VanDerWaalsContact O-N 3.13Å
492	P	85.1	Confident	86.3	Confident	68 Å²	68	53.3 Å²	53.3	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-54	-39.3	-177.3	-27.9	36	0	0	0	114	M494 K495 L496	P492-M494 VanDerWaalsContact C-N 3.26Å; P492-M494 PolarHBondContact O-N 2.9Å; P492-K495 PolarHBondContact O-N 3.16Å; P492-L496 PolarHBondContact O-N 3.5Å
493	I	87.3	Confident	86.5	Confident	11 Å²	11	53.7 Å²	53.7	6%	0.056	29%	0.288	C	S	.	.	H	α-helix	trans	-55.7	-37.6	179.5	-166.4	169.5	0	0	0	113	I480 A482 L486 Q491 L496 L497 E561	I480-I493 HydrophobicContact CG2-CD1 4.13Å; I480-I493 HydrophobicContact CG2-CG1 4.24Å; A482-I493 HydrophobicContact CB-CD1 3.86Å; L486-I493 HydrophobicContact CD1-CG2 3.94Å; Q491-I493 VanDerWaalsContact C-N 3.26Å; Q491-I493 HydrophobicContact CB-CG2 4.24Å; Q491-I493 PolarHBondContact O-N 3.27Å; I493-L496 PolarHBondContact O-N 3.18Å; I493-L497 WeakPolarHBondContact O-CB 2.97Å; I493-L497 VanDerWaalsContact O-CG 3.27Å; I493-L497 WeakPolarHBondContact O-CG 3.5Å; I493-L497 PolarHBondContact O-N 3.32Å; I493-E561 HydrophobicContact CB-CB 4.34Å; I493-E561 HydrophobicContact CD1-CB 4.2Å; I493-E561 HydrophobicContact CG1-CB 4.48Å; I493-E561 PolarHBondContact N-O 3.37Å
494	M	88.8	Confident	86.8	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-68	-38.9	179.1	-64.5	-49.5	-136.3	0	0	112.1	L486 Q489 Q491 P492 L497 Q498 K524 W525 P526	L486-M494 HydrophobicContact CD1-CE 3.76Å; L486-M494 HydrophobicContact CD1-CG 4.1Å; L486-M494 HydrophobicContact CD1-SD 3.91Å; L486-M494 HydrophobicContact CD2-CE 3.45Å; L486-M494 VanDerWaalsContact CD2-CE 3.45Å; L486-M494 HydrophobicContact CG-CE 4.2Å; Q489-M494 VanDerWaalsContact OE1-CE 3.23Å; Q491-M494 PolarHBondContact O-N 3.39Å; Q491-M494 VanDerWaalsContact O-N 3.13Å; P492-M494 VanDerWaalsContact C-N 3.26Å; P492-M494 PolarHBondContact O-N 2.9Å; M494-L497 HydrophobicContact SD-CD1 4.16Å; M494-Q498 WeakPolarHBondContact O-CG 3.44Å; M494-Q498 PolarHBondContact O-N 3.28Å; M494-K524 WeakPolarHBondContact CE-O 3.36Å; M494-W525 HydrophobicContact CE-CE3 4.16Å; M494-W525 HydrophobicContact SD-CE3 3.98Å; M494-W525 HydrophobicContact SD-CZ3 4.16Å; M494-P526 HydrophobicContact SD-CG 4.48Å
495	K	88.2	Confident	87.3	Confident	131 Å²	131	58 Å²	58	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-68.9	-39.8	175.1	-66.2	175.9	-177	168.1	0	110.7	P492 Q498 V499	P492-K495 PolarHBondContact O-N 3.16Å; K495-Q498 PolarHBondContact O-N 3.41Å; K495-V499 WeakPolarHBondContact O-CG2 3.25Å; K495-V499 PolarHBondContact O-N 2.92Å
496	L	90.3	Very high	88	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-44.7	177.5	-177.3	60.4	0	0	0	111.6	I480 P492 I493 Q498 V499 V500 L559 D560	I480-L496 HydrophobicContact CD1-CD2 4.28Å; I480-L496 HydrophobicContact CD1-CG 4.36Å; I480-L496 HydrophobicContact CG2-CD2 4.35Å; P492-L496 PolarHBondContact O-N 3.5Å; I493-L496 PolarHBondContact O-N 3.18Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.86Å; L496-V499 WeakPolarHBondContact O-CB 3.46Å; L496-V499 PolarHBondContact O-N 3.05Å; L496-V499 VanDerWaalsContact O-N 3.11Å; L496-V500 HydrophobicContact CD1-CG2 4.03Å; L496-V500 HydrophobicContact CG-CG2 4.38Å; L496-V500 WeakPolarHBondContact O-CG2 2.96Å; L496-V500 PolarHBondContact O-N 2.87Å; L496-L559 HydrophobicContact CD1-CD1 4.18Å; L496-L559 HydrophobicContact CD2-CB 4.22Å; L496-L559 HydrophobicContact CD2-CD1 4.35Å; L496-L559 HydrophobicContact CG-CD1 4.42Å; L496-D560 WeakPolarHBondContact CD2-O 3.46Å
497	L	91.5	Very high	88.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.8	-45.3	175.2	-75.2	172.4	0	0	0	112.2	I480 I493 M494 V499 S501 I509 I511 W525 P526 M528 L532	I480-L497 HydrophobicContact CD1-CD2 3.58Å; I480-L497 HydrophobicContact CD1-CG 4.26Å; I493-L497 WeakPolarHBondContact O-CB 2.97Å; I493-L497 VanDerWaalsContact O-CG 3.27Å; I493-L497 WeakPolarHBondContact O-CG 3.5Å; I493-L497 PolarHBondContact O-N 3.32Å; M494-L497 HydrophobicContact SD-CD1 4.16Å; L497-V499 VanDerWaalsContact C-N 3.34Å; L497-V499 PolarHBondContact O-N 2.97Å; L497-S501 WeakPolarHBondContact O-CB 3.38Å; L497-S501 PolarHBondContact O-N 3.1Å; L497-S501 PolarHBondContact O-OG 3.18Å; L497-I509 HydrophobicContact CD2-CD1 4.23Å; L497-I509 HydrophobicContact CD2-CG2 3.72Å; L497-I511 HydrophobicContact CD1-CD1 4.11Å; L497-I511 HydrophobicContact CD2-CD1 4.1Å; L497-I511 HydrophobicContact CD2-CG1 4.42Å; L497-W525 HydrophobicContact CD1-CE3 3.67Å; L497-W525 HydrophobicContact CD1-CZ3 3.8Å; L497-P526 HydrophobicContact CB-CG 4.3Å; L497-P526 HydrophobicContact CD1-CG 4.36Å; L497-M528 HydrophobicContact CB-SD 3.85Å; L497-M528 HydrophobicContact CD2-SD 4.24Å; L497-L532 HydrophobicContact CD2-CD1 4.32Å
498	Q	90.7	Very high	89.4	Confident	81 Å²	81	52.2 Å²	52.2	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-37.2	175.7	-69.9	-179.6	-8.8	0	0	112.8	M494 K495 L496 S501 R502 P526	M494-Q498 WeakPolarHBondContact O-CG 3.44Å; M494-Q498 PolarHBondContact O-N 3.28Å; K495-Q498 PolarHBondContact O-N 3.41Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.86Å; Q498-S501 WeakPolarHBondContact CA-OG 3.46Å; Q498-S501 PolarHBondContact O-OG 3.32Å; Q498-R502 WeakPolarHBondContact O-CB 3.22Å; Q498-R502 WeakPolarHBondContact O-CD 3Å; Q498-R502 WeakPolarHBondContact O-CG 3.36Å; Q498-R502 PolarHBondContact O-N 3.31Å; Q498-P526 HydrophobicContact CG-CB 4.38Å
499	V	91.4	Very high	90.2	Very high	28 Å²	28	49.8 Å²	49.8	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-48.1	178.4	162.6	0	0	0	0	111.4	K495 L496 L497 L565 T567 V570	K495-V499 WeakPolarHBondContact O-CG2 3.25Å; K495-V499 PolarHBondContact O-N 2.92Å; L496-V499 WeakPolarHBondContact O-CB 3.46Å; L496-V499 PolarHBondContact O-N 3.05Å; L496-V499 VanDerWaalsContact O-N 3.11Å; L497-V499 VanDerWaalsContact C-N 3.34Å; L497-V499 PolarHBondContact O-N 2.97Å; V499-L565 WeakPolarHBondContact CG1-O 3.11Å; V499-L565 WeakPolarHBondContact CG2-O 3.41Å; V499-T567 PolarHBondContact O-OG1 3.23Å; V499-V570 HydrophobicContact CG1-CG2 4.39Å
500	V	92.9	Very high	90.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.1	-43.6	-176.2	175	0	0	0	0	110.6	F476 A478 L496 R502 S503 C506 I509 L559	F476-V500 HydrophobicContact CE2-CG1 4.28Å; A478-V500 HydrophobicContact CB-CG1 3.54Å; L496-V500 HydrophobicContact CD1-CG2 4.03Å; L496-V500 HydrophobicContact CG-CG2 4.38Å; L496-V500 WeakPolarHBondContact O-CG2 2.96Å; L496-V500 PolarHBondContact O-N 2.87Å; V500-R502 PolarHBondContact O-N 3.22Å; V500-S503 WeakPolarHBondContact O-CB 3.49Å; V500-S503 PolarHBondContact O-N 2.01Å; V500-C506 WeakPolarHBondContact O-CB 3.25Å; V500-I509 HydrophobicContact CB-CD1 4.29Å; V500-I509 HydrophobicContact CG1-CD1 4.03Å; V500-I509 HydrophobicContact CG1-CG1 4.17Å; V500-L559 HydrophobicContact CG2-CD1 3.7Å
501	S	93.6	Very high	91.5	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-25.2	179.3	59.6	0	0	0	0	113.9	L497 Q498 S503 P529	L497-S501 WeakPolarHBondContact O-CB 3.38Å; L497-S501 PolarHBondContact O-N 3.1Å; L497-S501 PolarHBondContact O-OG 3.18Å; Q498-S501 WeakPolarHBondContact CA-OG 3.46Å; Q498-S501 PolarHBondContact O-OG 3.32Å; S501-S503 VanDerWaalsContact C-N 3.27Å; S501-S503 PolarHBondContact O-N 3.47Å; S501-P529 WeakPolarHBondContact O-CG 3.33Å
502	R	94	Very high	91.9	Very high	177 Å²	177	38.6 Å²	38.6	67%	0.668	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-6	173.4	-71.8	173.1	-176.2	-177.9	2.3	113.8	Q498 V500 T567	Q498-R502 WeakPolarHBondContact O-CB 3.22Å; Q498-R502 WeakPolarHBondContact O-CD 3Å; Q498-R502 WeakPolarHBondContact O-CG 3.36Å; Q498-R502 PolarHBondContact O-N 3.31Å; V500-R502 PolarHBondContact O-N 3.22Å; R502-T567 HydrophobicContact CB-CG2 3.99Å; R502-T567 WeakPolarHBondContact O-CG2 3.25Å
503	S	93.4	Very high	92.1	Very high	8 Å²	8	35.9 Å²	35.9	6%	0.056	16%	0.163	C	C	.	.			trans	-66.4	136.9	176.1	177.1	0	0	0	0	110.3	V500 S501 Y505 C506 N571	V500-S503 WeakPolarHBondContact O-CB 3.49Å; V500-S503 PolarHBondContact O-N 2.01Å; S501-S503 VanDerWaalsContact C-N 3.27Å; S501-S503 PolarHBondContact O-N 3.47Å; S503-Y505 PolarHBondContact O-N 3.19Å; S503-Y505 PolarHBondContact OG-N 2.96Å; S503-C506 PolarHBondContact O-N 3.43Å; S503-N571 WeakPolarHBondContact CB-OD1 3.28Å; S503-N571 PolarHBondContact OG-OD1 3.49Å
504	K	91.2	Very high	92	Very high	170 Å²	170	36.3 Å²	36.3	74%	0.739	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.8	176.7	178.4	176.2	177.2	-177.8	0	112.9
505	Y	94.9	Very high	91.8	Very high	49 Å²	49	36.6 Å²	36.6	19%	0.192	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	2.6	-170.8	-50	-71.6	0	0	0	113	H474 E475 F476 S503 S507 N571 F574 L575	H474-Y505 WeakPolarHBondContact O-CD1 3.47Å; E475-Y505 CarbonylContact C-O 3.5Å; E475-Y505 VanDerWaalsContact CA-O 3.22Å; E475-Y505 WeakPolarHBondContact CA-O 3.28Å; F476-Y505 VanDerWaalsContact CD1-O 3.25Å; F476-Y505 WeakPolarHBondContact CD1-O 3.44Å; F476-Y505 PolarHBondContact N-O 3.38Å; S503-Y505 PolarHBondContact O-N 3.19Å; S503-Y505 PolarHBondContact OG-N 2.96Å; Y505-S507 PolarHBondContact O-N 3.2Å; Y505-N571 HydrophobicContact CD2-CB 4.41Å; Y505-N571 HydrophobicContact CE2-CB 4.24Å; Y505-F574 HydrophobicContact CD1-CD1 4.09Å; Y505-F574 AromaticContact CD1-CE1 3.8Å; Y505-F574 HydrophobicContact CD1-CE1 3.8Å; Y505-F574 AromaticContact CD2-CD1 3.57Å; Y505-F574 HydrophobicContact CD2-CD1 3.57Å; Y505-F574 HydrophobicContact CD2-CE1 4.14Å; Y505-F574 HydrophobicContact CE2-CD1 4.25Å; Y505-F574 AromaticContact CG-CD1 3.47Å; Y505-F574 HydrophobicContact CG-CD1 3.47Å; Y505-F574 VanDerWaalsContact CG-CD1 3.47Å; Y505-F574 AromaticContact CG-CE1 3.56Å; Y505-F574 HydrophobicContact CG-CE1 3.56Å; Y505-L575 HydrophobicContact CE2-CD2 4.4Å; Y505-L575 HydrophobicContact CE2-CG 4.4Å
506	C	95.4	Very high	91.4	Very high	12 Å²	12	38 Å²	38	8%	0.081	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.5	178.5	-176	0	0	0	0	109.5	F476 V500 S503 V530	F476-C506 HydrophobicContact CE1-CB 4.33Å; F476-C506 HydrophobicContact CE2-CB 3.97Å; F476-C506 HydrophobicContact CZ-CB 3.75Å; V500-C506 WeakPolarHBondContact O-CB 3.25Å; S503-C506 PolarHBondContact O-N 3.43Å; C506-V530 HydrophobicContact CB-CG1 4.42Å; C506-V530 VanDerWaalsContact O-CG1 3.3Å; C506-V530 WeakPolarHBondContact O-CG1 3.18Å
507	S	95.1	Very high	91.1	Very high	39 Å²	39	44 Å²	44	27%	0.273	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-44.9	176.7	-159.3	0	0	0	0	111.1	E475 F476 Y505 P531	E475-S507 WeakPolarHBondContact OE2-CB 2.98Å; E475-S507 PolarHBondContact OE2-OG 3.28Å; F476-S507 PolarHBondContact O-N 3.22Å; Y505-S507 PolarHBondContact O-N 3.2Å; S507-P531 VanDerWaalsContact O-CD 3.3Å; S507-P531 WeakPolarHBondContact O-CD 3.38Å
508	Q	94.8	Very high	90.7	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.089	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	157.1	-175	55.4	169.6	-53.5	0	0	111.7	T477 A478 P531 A550	T477-Q508 HydrophobicContact CG2-CG 3.64Å; T477-Q508 VanDerWaalsContact OG1-CG 3.23Å; T477-Q508 WeakPolarHBondContact OG1-CG 3.2Å; T477-Q508 PolarHBondContact OG1-NE2 3.18Å; A478-Q508 PolarHBondContact N-O 3.06Å; Q508-P531 HydrophobicContact CB-CG 3.9Å; Q508-A550 VanDerWaalsContact CD-O 3.3Å; Q508-A550 PolarHBondContact NE2-O 3.01Å; Q508-A550 PolarHBondContact OE1-O 2.98Å; Q508-A550 VanDerWaalsContact OE1-O 3.08Å
509	I	94.5	Very high	90.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.3	174.7	-56.4	175.6	0	0	0	109.3	A478 I480 L497 V500 M528 V530 P531 L532 V533	A478-I509 HydrophobicContact CB-CG1 4.29Å; A478-I509 CarbonylContact O-C 3.6Å; A478-I509 WeakPolarHBondContact O-CA 3.01Å; I480-I509 HydrophobicContact CD1-CG2 3.9Å; I480-I509 HydrophobicContact CG1-CG2 4.42Å; L497-I509 HydrophobicContact CD2-CD1 4.23Å; L497-I509 HydrophobicContact CD2-CG2 3.72Å; V500-I509 HydrophobicContact CB-CD1 4.29Å; V500-I509 HydrophobicContact CG1-CD1 4.03Å; V500-I509 HydrophobicContact CG1-CG1 4.17Å; I509-M528 HydrophobicContact CD1-SD 4.06Å; I509-V530 HydrophobicContact CD1-CG2 3.6Å; I509-V530 HydrophobicContact CG1-CG2 3.76Å; I509-P531 PolarHBondContact N-O 2.86Å; I509-L532 HydrophobicContact CB-CD1 4.09Å; I509-L532 HydrophobicContact CG2-CD1 3.88Å; I509-L532 WeakPolarHBondContact O-CA 3.31Å; I509-V533 PolarHBondContact O-N 3.34Å
510	I	93.4	Very high	90	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.3	174.8	-56.6	176.1	0	0	0	108.2	T477 A478 V479 I480 L512 V533 A550 I551	T477-I510 HydrophobicContact CG2-CD1 3.7Å; T477-I510 HydrophobicContact CG2-CG1 4.01Å; A478-I510 PolarHBondContact O-N 3.38Å; V479-I510 CarbonylContact C-O 3.51Å; V479-I510 WeakPolarHBondContact CA-O 3.44Å; V479-I510 HydrophobicContact CG2-CB 4.46Å; I480-I510 PolarHBondContact N-O 3.3Å; I510-L512 HydrophobicContact CG2-CD2 4.15Å; I510-V533 CarbonylContact C-O 3.51Å; I510-V533 VanDerWaalsContact CA-O 3.29Å; I510-V533 WeakPolarHBondContact CA-O 3.4Å; I510-V533 HydrophobicContact CG1-CB 4.42Å; I510-A550 HydrophobicContact CD1-CB 3.81Å; I510-I551 HydrophobicContact CD1-CG1 3.58Å
511	I	91.9	Very high	89.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.7	169.6	-65.9	170.8	0	0	0	108	I480 A482 L497 W513 W525 L532 V533 V534 T535	I480-I511 WeakPolarHBondContact O-CA 3.45Å; A482-I511 HydrophobicContact CB-CG2 3.88Å; L497-I511 HydrophobicContact CD1-CD1 4.11Å; L497-I511 HydrophobicContact CD2-CD1 4.1Å; L497-I511 HydrophobicContact CD2-CG1 4.42Å; I511-W513 HydrophobicContact CG2-CE3 4.01Å; I511-W525 HydrophobicContact CD1-CE3 4.05Å; I511-W525 HydrophobicContact CD1-CH2 3.5Å; I511-W525 VanDerWaalsContact CD1-CH2 3.5Å; I511-W525 HydrophobicContact CD1-CZ2 4.01Å; I511-W525 HydrophobicContact CD1-CZ3 3.53Å; I511-L532 HydrophobicContact CD1-CD1 3.53Å; I511-L532 HydrophobicContact CD1-CD2 4.15Å; I511-L532 HydrophobicContact CD1-CG 4.37Å; I511-L532 HydrophobicContact CG1-CD1 3.72Å; I511-V533 PolarHBondContact N-O 2.99Å; I511-V534 HydrophobicContact CB-CG2 4.37Å; I511-V534 HydrophobicContact CG2-CG1 4.46Å; I511-V534 WeakPolarHBondContact O-CA 3.42Å; I511-T535 PolarHBondContact O-N 3.39Å
512	L	90.9	Very high	88.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	106.1	170.1	-63.9	178.4	0	0	0	108.6	V479 I480 A482 I510 R544	V479-L512 HydrophobicContact CG1-CD1 3.39Å; V479-L512 HydrophobicContact CG1-CG 3.83Å; I480-L512 PolarHBondContact O-N 2.67Å; A482-L512 PolarHBondContact N-O 3.01Å; I510-L512 HydrophobicContact CG2-CD2 4.15Å; L512-R544 HydrophobicContact CD1-CB 3.74Å
513	W	89.1	Confident	88.3	Confident	11 Å²	11	58.3 Å²	58.3	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	109.1	-173	-166.5	-92.7	0	0	0	110.6	A482 L486 I511 K517 P519 P520 W525 V534 T535 G537	A482-W513 HydrophobicContact CB-CE3 3.86Å; A482-W513 HydrophobicContact CB-CZ3 4.13Å; L486-W513 HydrophobicContact CB-CH2 4.08Å; I511-W513 HydrophobicContact CG2-CE3 4.01Å; W513-K517 PolarHBondContact NE1-O 3.43Å; W513-P519 HydrophobicContact CD2-CB 3.85Å; W513-P519 HydrophobicContact CE3-CB 4.36Å; W513-P519 HydrophobicContact CG-CB 3.96Å; W513-P520 HydrophobicContact CH2-CG 4.46Å; W513-W525 HydrophobicContact CE3-CH2 4.4Å; W513-W525 AromaticContact CZ3-CH2 3.83Å; W513-W525 HydrophobicContact CZ3-CH2 3.83Å; W513-W525 HydrophobicContact CZ3-CZ2 4.22Å; W513-V534 HydrophobicContact CB-CG1 4.08Å; W513-T535 PolarHBondContact N-O 2.04Å; W513-G537 PolarHBondContact O-N 3.32Å
514	N	86.2	Confident	87.9	Confident	19 Å²	19	63.5 Å²	63.5	10%	0.102	32%	0.322	C	S	.	.			trans	-112.9	10.3	178.7	-87.6	10.8	0	0	0	113.3	H481 A482 V483 G537 R539 K540	H481-N514 PolarHBondContact NE2-ND2 3.29Å; A482-N514 WeakPolarHBondContact O-CA 3.37Å; A482-N514 WeakPolarHBondContact O-CB 3.34Å; A482-N514 PolarHBondContact O-N 3.48Å; V483-N514 HydrophobicContact CG1-CB 4.16Å; N514-G537 WeakPolarHBondContact OD1-CA 3.35Å; N514-G537 PolarHBondContact OD1-O 2.8Å; N514-R539 PolarHBondContact OD1-N 2.95Å; N514-K540 PolarHBondContact ND2-N 2.95Å; N514-K540 PolarHBondContact ND2-O 3.15Å
515	S	84.1	Confident	87.6	Confident	11 Å²	11	56.4 Å²	56.4	8%	0.077	29%	0.291	C	S	.	.			trans	-73.1	151	177.2	-163.5	0	0	0	0	111.7	V483 P485 K517	V483-S515 WeakPolarHBondContact O-CA 3.15Å; P485-S515 WeakPolarHBondContact CA-OG 3.3Å; P485-S515 WeakPolarHBondContact CD-OG 3.37Å; P485-S515 VanDerWaalsContact N-OG 3.14Å; S515-K517 PolarHBondContact O-N 2.98Å
516	E	80.5	Confident	87.1	Confident	160 Å²	160	54.7 Å²	54.7	75%	0.748	29%	0.286	S	S	*	.	S	Bend	trans	-63.5	-32.6	172.7	-67.6	-178.9	170.2	0	0	112.3
517	K	84.2	Confident	86.6	Confident	130 Å²	130	60.4 Å²	60.4	57%	0.565	32%	0.322	S	S	*	.	S	Bend	trans	-81.6	146.9	177.6	-64.6	-170.2	179.9	-179.6	0	110.3	P485 W513 S515	P485-K517 HydrophobicContact CB-CB 4.16Å; P485-K517 HydrophobicContact CB-CD 3.86Å; P485-K517 HydrophobicContact CB-CG 4.25Å; P485-K517 HydrophobicContact CG-CD 4.39Å; W513-K517 PolarHBondContact NE1-O 3.43Å; S515-K517 PolarHBondContact O-N 2.98Å
518	P	83.1	Confident	86.2	Confident	110 Å²	110	60.4 Å²	60.4	71%	0.714	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-61.8	152.2	177.2	26.4	-34.7	0	0	0	111.7
519	P	83.8	Confident	85.9	Confident	65 Å²	65	64.7 Å²	64.7	42%	0.422	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.2	143.8	177	25.9	-33.4	0	0	0	110.7	W513 V534	W513-P519 HydrophobicContact CD2-CB 3.85Å; W513-P519 HydrophobicContact CE3-CB 4.36Å; W513-P519 HydrophobicContact CG-CB 3.96Å; P519-V534 HydrophobicContact CB-CG1 3.76Å; P519-V534 HydrophobicContact CG-CG1 4.28Å
520	P	83.6	Confident	85.8	Confident	24 Å²	24	65.6 Å²	65.6	16%	0.156	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-66.1	153.8	179.7	28.6	-35.7	0	0	0	111.5	L486 W513 K524 W525	L486-P520 HydrophobicContact CB-CG 4.09Å; L486-P520 HydrophobicContact CD2-CB 4.13Å; L486-P520 HydrophobicContact CD2-CG 3.67Å; W513-P520 HydrophobicContact CH2-CG 4.46Å; P520-K524 HydrophobicContact CB-CB 4.08Å; P520-K524 HydrophobicContact CB-CD 3.86Å; P520-W525 HydrophobicContact CG-CH2 4.02Å; P520-W525 HydrophobicContact CG-CZ2 3.39Å; P520-W525 PolarHBondContact O-NE1 3.21Å
521	S	82.9	Confident	85.7	Confident	63 Å²	63	69.3 Å²	69.3	44%	0.441	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-56.1	151.4	176	58.8	0	0	0	0	111.9	S523 K524	S521-S523 PolarHBondContact O-N 2.64Å; S521-S523 PolarHBondContact OG-OG 2.95Å; S521-K524 PolarHBondContact O-N 3.33Å
522	R	80.8	Confident	85.7	Confident	224 Å²	224	71.2 Å²	71.2	85%	0.845	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-50.8	-34.9	-178.7	-77.3	-170.4	178	-169.2	-0	113.7	K524 W525	R522-K524 VanDerWaalsContact C-N 3.25Å; R522-K524 PolarHBondContact O-N 3.17Å; R522-W525 PolarHBondContact O-N 3.12Å
523	S	80.9	Confident	85.7	Confident	108 Å²	108	73.8 Å²	73.8	76%	0.755	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21	178.4	53.2	0	0	0	0	115.5	S521	S521-S523 PolarHBondContact O-N 2.64Å; S521-S523 PolarHBondContact OG-OG 2.95Å
524	K	84.3	Confident	85.7	Confident	118 Å²	118	75.9 Å²	75.9	51%	0.513	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-86.3	-12.2	-179.2	-69.4	-174.6	178.4	-176.3	0	113.2	Q489 M494 P520 S521 R522	Q489-K524 PolarHBondContact NE2-O 3.28Å; M494-K524 WeakPolarHBondContact CE-O 3.36Å; P520-K524 HydrophobicContact CB-CB 4.08Å; P520-K524 HydrophobicContact CB-CD 3.86Å; S521-K524 PolarHBondContact O-N 3.33Å; R522-K524 VanDerWaalsContact C-N 3.25Å; R522-K524 PolarHBondContact O-N 3.17Å
525	W	85.1	Confident	85.7	Confident	21 Å²	21	77 Å²	77	8%	0.08	43%	0.425	C	S	.	.	S	Bend	trans	-82.4	147.9	176.6	-61.3	102.6	0	0	0	110.6	M494 L497 I511 W513 P520 R522 L532 V534	M494-W525 HydrophobicContact CE-CE3 4.16Å; M494-W525 HydrophobicContact SD-CE3 3.98Å; M494-W525 HydrophobicContact SD-CZ3 4.16Å; L497-W525 HydrophobicContact CD1-CE3 3.67Å; L497-W525 HydrophobicContact CD1-CZ3 3.8Å; I511-W525 HydrophobicContact CD1-CE3 4.05Å; I511-W525 HydrophobicContact CD1-CH2 3.5Å; I511-W525 VanDerWaalsContact CD1-CH2 3.5Å; I511-W525 HydrophobicContact CD1-CZ2 4.01Å; I511-W525 HydrophobicContact CD1-CZ3 3.53Å; W513-W525 HydrophobicContact CE3-CH2 4.4Å; W513-W525 AromaticContact CZ3-CH2 3.83Å; W513-W525 HydrophobicContact CZ3-CH2 3.83Å; W513-W525 HydrophobicContact CZ3-CZ2 4.22Å; P520-W525 HydrophobicContact CG-CH2 4.02Å; P520-W525 HydrophobicContact CG-CZ2 3.39Å; P520-W525 PolarHBondContact O-NE1 3.21Å; R522-W525 PolarHBondContact O-N 3.12Å; W525-L532 HydrophobicContact CB-CD2 4.01Å; W525-L532 HydrophobicContact CD2-CD2 3.89Å; W525-L532 HydrophobicContact CE3-CD2 4.39Å; W525-L532 HydrophobicContact CG-CD2 3.71Å; W525-V534 HydrophobicContact CZ2-CG2 4.23Å
526	P	85.1	Confident	85.6	Confident	13 Å²	13	81.6 Å²	81.6	8%	0.084	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-62.9	148.1	178	26.6	-34	0	0	0	110.8	M494 L497 Q498 M528	M494-P526 HydrophobicContact SD-CG 4.48Å; L497-P526 HydrophobicContact CB-CG 4.3Å; L497-P526 HydrophobicContact CD1-CG 4.36Å; Q498-P526 HydrophobicContact CG-CB 4.38Å; P526-M528 HydrophobicContact CG-CG 4.4Å; P526-M528 HydrophobicContact CG-SD 4.4Å; P526-M528 WeakPolarHBondContact O-CG 3.18Å; P526-M528 PolarHBondContact O-N 2.89Å
527	P	84	Confident	85.4	Confident	131 Å²	131	74 Å²	74	85%	0.851	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.8	131.7	170.4	27.9	-33.1	0	0	0	109
528	M	87.9	Confident	85.2	Confident	40 Å²	40	76.5 Å²	76.5	20%	0.197	42%	0.419	C	S	.	.			trans	-135.4	147.4	-175.4	-68.5	-177.1	-62.2	0	0	110.9	L497 I509 P526 V530 L532	L497-M528 HydrophobicContact CB-SD 3.85Å; L497-M528 HydrophobicContact CD2-SD 4.24Å; I509-M528 HydrophobicContact CD1-SD 4.06Å; P526-M528 HydrophobicContact CG-CG 4.4Å; P526-M528 HydrophobicContact CG-SD 4.4Å; P526-M528 WeakPolarHBondContact O-CG 3.18Å; P526-M528 PolarHBondContact O-N 2.89Å; M528-V530 PolarHBondContact O-N 3.47Å; M528-L532 HydrophobicContact CE-CB 3.65Å; M528-L532 HydrophobicContact CE-CD1 4.16Å; M528-L532 HydrophobicContact CE-CD2 3.81Å; M528-L532 HydrophobicContact CE-CG 4.06Å
529	P	88.6	Confident	85	Confident	108 Å²	108	79.1 Å²	79.1	70%	0.701	41%	0.414	S	S	*	.	S	Bend	trans	-71.8	-16.5	175.4	30.1	-38.5	0	0	0	113.7	S501	S501-P529 WeakPolarHBondContact O-CG 3.33Å
530	V	91.3	Very high	84.9	Confident	19 Å²	19	80.6 Å²	80.6	12%	0.115	41%	0.414	C	S	.	.	S	Bend	trans	-112.2	148.1	-177	-62	0	0	0	0	111	C506 I509 M528	C506-V530 HydrophobicContact CB-CG1 4.42Å; C506-V530 VanDerWaalsContact O-CG1 3.3Å; C506-V530 WeakPolarHBondContact O-CG1 3.18Å; I509-V530 HydrophobicContact CD1-CG2 3.6Å; I509-V530 HydrophobicContact CG1-CG2 3.76Å; M528-V530 PolarHBondContact O-N 3.47Å
531	P	91.9	Very high	84.8	Confident	80 Å²	80	80.5 Å²	80.5	52%	0.519	41%	0.413	S	S	.	.			trans	-61.9	140.7	177.2	25.4	-34.8	0	0	0	111.9	S507 Q508 I509	S507-P531 VanDerWaalsContact O-CD 3.3Å; S507-P531 WeakPolarHBondContact O-CD 3.38Å; Q508-P531 HydrophobicContact CB-CG 3.9Å; I509-P531 PolarHBondContact N-O 2.86Å
532	L	91.4	Very high	85	Confident	39 Å²	39	77.8 Å²	77.8	20%	0.204	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.8	175.6	177.4	69.2	0	0	0	110.5	L497 I509 I511 W525 M528 V534	L497-L532 HydrophobicContact CD2-CD1 4.32Å; I509-L532 HydrophobicContact CB-CD1 4.09Å; I509-L532 HydrophobicContact CG2-CD1 3.88Å; I509-L532 WeakPolarHBondContact O-CA 3.31Å; I511-L532 HydrophobicContact CD1-CD1 3.53Å; I511-L532 HydrophobicContact CD1-CD2 4.15Å; I511-L532 HydrophobicContact CD1-CG 4.37Å; I511-L532 HydrophobicContact CG1-CD1 3.72Å; W525-L532 HydrophobicContact CB-CD2 4.01Å; W525-L532 HydrophobicContact CD2-CD2 3.89Å; W525-L532 HydrophobicContact CE3-CD2 4.39Å; W525-L532 HydrophobicContact CG-CD2 3.71Å; M528-L532 HydrophobicContact CE-CB 3.65Å; M528-L532 HydrophobicContact CE-CD1 4.16Å; M528-L532 HydrophobicContact CE-CD2 3.81Å; M528-L532 HydrophobicContact CE-CG 4.06Å; L532-V534 HydrophobicContact CD2-CG2 4.42Å; L532-V534 HydrophobicContact CG-CG2 4.42Å
533	V	90.8	Very high	85.2	Confident	55 Å²	55	67.3 Å²	67.3	33%	0.333	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.5	173.7	-177.5	0	0	0	0	109	I509 I510 I511	I509-V533 PolarHBondContact O-N 3.34Å; I510-V533 CarbonylContact C-O 3.51Å; I510-V533 VanDerWaalsContact CA-O 3.29Å; I510-V533 WeakPolarHBondContact CA-O 3.4Å; I510-V533 HydrophobicContact CG1-CB 4.42Å; I511-V533 PolarHBondContact N-O 2.99Å
534	V	89	Confident	85.6	Confident	55 Å²	55	62.2 Å²	62.2	33%	0.333	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.4	174.1	-173.4	0	0	0	0	108	I511 W513 P519 W525 L532	I511-V534 HydrophobicContact CB-CG2 4.37Å; I511-V534 HydrophobicContact CG2-CG1 4.46Å; I511-V534 WeakPolarHBondContact O-CA 3.42Å; W513-V534 HydrophobicContact CB-CG1 4.08Å; P519-V534 HydrophobicContact CB-CG1 3.76Å; P519-V534 HydrophobicContact CG-CG1 4.28Å; W525-V534 HydrophobicContact CZ2-CG2 4.23Å; L532-V534 HydrophobicContact CD2-CG2 4.42Å; L532-V534 HydrophobicContact CG-CG2 4.42Å
535	T	86.5	Confident	85.9	Confident	44 Å²	44	56.6 Å²	56.6	27%	0.27	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.8	-178.8	-51.6	0	0	0	0	109.4	I511 W513 G537	I511-T535 PolarHBondContact O-N 3.39Å; W513-T535 PolarHBondContact N-O 2.04Å; T535-G537 PolarHBondContact O-N 2.88Å
536	D	82.4	Confident	86	Confident	107 Å²	107	57.8 Å²	57.8	57%	0.572	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	120	172.5	179.2	17.5	0	0	0	110.1	R538	D536-R538 PolarHBondContact O-N 3.13Å; D536-R538 PolarHBondContact OD1-N 2.73Å
537	G	75.4	Confident	86	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.318	C	S	.	.			trans	-87.6	11.3	177	0	0	0	0	0	113.2	W513 N514 T535 R539 K540 S543	W513-G537 PolarHBondContact O-N 3.32Å; N514-G537 WeakPolarHBondContact OD1-CA 3.35Å; N514-G537 PolarHBondContact OD1-O 2.8Å; T535-G537 PolarHBondContact O-N 2.88Å; G537-R539 PolarHBondContact O-N 3.44Å; G537-K540 PolarHBondContact O-N 3.18Å; G537-S543 WeakPolarHBondContact O-CB 2.94Å; G537-S543 PolarHBondContact O-OG 2.88Å
538	R	80.3	Confident	86.1	Confident	183 Å²	183	55.6 Å²	55.6	69%	0.691	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	22	172.7	-52.8	-178.4	-178.2	-175	-0.3	113.9	D536 K540	D536-R538 PolarHBondContact O-N 3.13Å; D536-R538 PolarHBondContact OD1-N 2.73Å; R538-K540 PolarHBondContact O-N 3Å; R538-K540 VanDerWaalsContact O-N 3.16Å
539	R	78.8	Confident	85.9	Confident	164 Å²	164	60.5 Å²	60.5	62%	0.619	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	29	-178.8	-52.8	179	-174.6	-171	-0.3	113.8	N514 G537	N514-R539 PolarHBondContact OD1-N 2.95Å; G537-R539 PolarHBondContact O-N 3.44Å
540	K	82.1	Confident	85.8	Confident	96 Å²	96	57 Å²	57	42%	0.417	30%	0.297	S	S	.	.			trans	-114.1	140.7	177.5	-75	176.7	169.7	-144	0	110.8	N514 G537 R538 S543 D642	N514-K540 PolarHBondContact ND2-N 2.95Å; N514-K540 PolarHBondContact ND2-O 3.15Å; G537-K540 PolarHBondContact O-N 3.18Å; R538-K540 PolarHBondContact O-N 3Å; R538-K540 VanDerWaalsContact O-N 3.16Å; K540-S543 WeakPolarHBondContact CB-OG 3.02Å; K540-S543 WeakPolarHBondContact O-CB 3.31Å; K540-S543 PolarHBondContact O-N 3.31Å; K540-S543 PolarHBondContact O-OG 2.93Å; K540-D642 VanDerWaalsContact CD-OD2 3.31Å; K540-D642 WeakPolarHBondContact CD-OD2 3.45Å; K540-D642 IonicContact NZ-OD2 3.98Å; K540-D642 PolarHBondContact NZ-OD2 2.78Å
541	T	81.2	Confident	85.7	Confident	22 Å²	22	56.2 Å²	56.2	14%	0.135	29%	0.292	C	S	.	.	S	Bend	trans	-70.5	-36	178.3	47.3	0	0	0	0	111.8	S543 V641	T541-S543 PolarHBondContact O-N 2.83Å; T541-V641 PolarHBondContact OG1-O 3.46Å
542	T	87.4	Confident	85.5	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.043	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15	178.5	60.2	0	0	0	0	114.2	R544 F545 F629 V641 D642	T542-R544 PolarHBondContact O-N 2.65Å; T542-F545 PolarHBondContact O-N 3.24Å; T542-F629 HydrophobicContact CG2-CE1 4.06Å; T542-F629 HydrophobicContact CG2-CZ 4.01Å; T542-V641 HydrophobicContact CG2-CB 3.89Å; T542-V641 HydrophobicContact CG2-CG1 3.51Å; T542-D642 VanDerWaalsContact CB-OD1 3.32Å; T542-D642 WeakPolarHBondContact CB-OD1 3.24Å; T542-D642 WeakPolarHBondContact CG2-OD1 3.34Å; T542-D642 PolarHBondContact N-OD1 3.03Å; T542-D642 PolarHBondContact OG1-OD1 3.18Å; T542-D642 PolarHBondContact OG1-OD2 2.76Å
543	S	85.1	Confident	85.6	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.021	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.1	-25.3	-178.6	-67.8	0	0	0	0	113.9	G537 K540 T541 F545 L546 H548	G537-S543 WeakPolarHBondContact O-CB 2.94Å; G537-S543 PolarHBondContact O-OG 2.88Å; K540-S543 WeakPolarHBondContact CB-OG 3.02Å; K540-S543 WeakPolarHBondContact O-CB 3.31Å; K540-S543 PolarHBondContact O-N 3.31Å; K540-S543 PolarHBondContact O-OG 2.93Å; T541-S543 PolarHBondContact O-N 2.83Å; S543-F545 PolarHBondContact O-N 3.09Å; S543-L546 PolarHBondContact O-N 2.94Å; S543-H548 PolarHBondContact O-NE2 2.8Å
544	R	87.9	Confident	85.8	Confident	1 Å²	1	58.3 Å²	58.3	0%	0.004	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-66.5	-19.5	175.8	77.1	-173.8	-60	170	17.3	114.9	L512 T542 S558 L559 D560 T616 E648	L512-R544 HydrophobicContact CD1-CB 3.74Å; T542-R544 PolarHBondContact O-N 2.65Å; R544-S558 PolarHBondContact NE-OG 3.07Å; R544-S558 PolarHBondContact NH2-OG 3.14Å; R544-L559 PolarHBondContact NH2-O 3Å; R544-D560 IonicContact CZ-OD1 3.76Å; R544-D560 VanDerWaalsContact CZ-OD1 3.28Å; R544-D560 IonicContact NH1-OD1 3.46Å; R544-D560 PolarHBondContact NH1-OD1 3.31Å; R544-D560 IonicContact NH2-OD1 3.9Å; R544-D560 PolarHBondContact NH2-OD1 2.75Å; R544-T616 PolarHBondContact NH2-O 3.34Å; R544-E648 IonicContact NH1-OE1 2.59Å
545	F	91.1	Very high	86.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-108.8	5.4	-179.8	-55.1	-51.6	0	0	0	113.5	T542 S543 T616 Y621 N626 F629 E648 M652	T542-F545 PolarHBondContact O-N 3.24Å; S543-F545 PolarHBondContact O-N 3.09Å; F545-T616 HydrophobicContact CE1-CG2 4.26Å; F545-T616 HydrophobicContact CZ-CG2 3.99Å; F545-Y621 HydrophobicContact CE1-CE1 4.12Å; F545-N626 CarbonylContact O-C 3.6Å; F545-N626 VanDerWaalsContact O-CA 3.26Å; F545-N626 WeakPolarHBondContact O-CA 3.47Å; F545-N626 VanDerWaalsContact O-CB 3.22Å; F545-N626 WeakPolarHBondContact O-CB 3.3Å; F545-F629 HydrophobicContact CB-CB 4.31Å; F545-F629 HydrophobicContact CB-CD1 3.71Å; F545-F629 HydrophobicContact CB-CD2 4.29Å; F545-F629 HydrophobicContact CB-CE1 4.08Å; F545-F629 HydrophobicContact CB-CG 3.84Å; F545-F629 HydrophobicContact CD2-CD2 4.27Å; F545-F629 HydrophobicContact CD2-CE1 4.27Å; F545-F629 AromaticContact CD2-CE2 3.91Å; F545-F629 HydrophobicContact CD2-CE2 3.91Å; F545-F629 AromaticContact CD2-CZ 3.92Å; F545-F629 HydrophobicContact CD2-CZ 3.92Å; F545-F629 HydrophobicContact CG-CD2 4.49Å; F545-E648 HydrophobicContact CD2-CB 4.45Å; F545-E648 HydrophobicContact CE2-CB 3.78Å; F545-E648 HydrophobicContact CE2-CG 3.64Å; F545-E648 HydrophobicContact CZ-CG 4.28Å; F545-M652 HydrophobicContact CB-CE 3.79Å; F545-M652 HydrophobicContact CD1-CE 3.24Å; F545-M652 HydrophobicContact CD2-CE 4.01Å; F545-M652 HydrophobicContact CE1-CE 3.71Å; F545-M652 HydrophobicContact CE1-CG 4.42Å; F545-M652 HydrophobicContact CE2-CB 4.37Å; F545-M652 HydrophobicContact CE2-CE 4.38Å; F545-M652 HydrophobicContact CG-CE 3.41Å; F545-M652 VanDerWaalsContact CG-CE 3.41Å; F545-M652 HydrophobicContact CZ-CB 4.21Å; F545-M652 HydrophobicContact CZ-CE 4.25Å; F545-M652 HydrophobicContact CZ-CG 4.47Å
546	L	88.2	Confident	86.6	Confident	47 Å²	47	53.6 Å²	53.6	25%	0.246	26%	0.263	C	S	.	.	S	Bend	trans	-70.6	146.8	172.3	-63	178	0	0	0	110.1	S543 H548	S543-L546 PolarHBondContact O-N 2.94Å; L546-H548 VanDerWaalsContact C-N 3.3Å; L546-H548 PolarHBondContact O-CD2 2.97Å; L546-H548 PolarHBondContact O-N 2.95Å
547	P	85.3	Confident	87.3	Confident	62 Å²	62	48.5 Å²	48.5	40%	0.403	24%	0.236	S	C	.	.			trans	-72.2	85.8	178.1	30	-35.7	0	0	0	109.9	V549 S630	P547-V549 PolarHBondContact O-N 3.37Å; P547-S630 WeakPolarHBondContact CD-OG 3.35Å
548	H	85.2	Confident	88.3	Confident	36 Å²	36	48.5 Å²	48.5	17%	0.167	24%	0.236	C	C	.	.			trans	-71.8	126.1	174.5	-64.5	-69.2	0	0	0	109.9	S543 L546 A550 I551	S543-H548 PolarHBondContact O-NE2 2.8Å; L546-H548 VanDerWaalsContact C-N 3.3Å; L546-H548 PolarHBondContact O-CD2 2.97Å; L546-H548 PolarHBondContact O-N 2.95Å; H548-A550 PolarHBondContact O-N 3.22Å; H548-A550 VanDerWaalsContact O-N 3.17Å; H548-I551 HydrophobicContact CB-CD1 3.95Å; H548-I551 HydrophobicContact CB-CG1 4.03Å; H548-I551 PolarHBondContact O-N 3.1Å
549	V	83.5	Confident	88.9	Confident	143 Å²	143	39.8 Å²	39.8	87%	0.867	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.9	-179.1	-177.4	0	0	0	0	111.9	P547 I551	P547-V549 PolarHBondContact O-N 3.37Å; V549-I551 PolarHBondContact O-N 3.05Å
550	A	86.5	Confident	89.5	Confident	33 Å²	33	34 Å²	34	27%	0.273	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.2	176.9	0	0	0	0	0	113.7	Q508 I510 H548 E552	Q508-A550 VanDerWaalsContact CD-O 3.3Å; Q508-A550 PolarHBondContact NE2-O 3.01Å; Q508-A550 PolarHBondContact OE1-O 2.98Å; Q508-A550 VanDerWaalsContact OE1-O 3.08Å; I510-A550 HydrophobicContact CD1-CB 3.81Å; H548-A550 PolarHBondContact O-N 3.22Å; H548-A550 VanDerWaalsContact O-N 3.17Å; A550-E552 PolarHBondContact O-N 3.29Å
551	I	89.6	Confident	89.8	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.015	17%	0.172	C	C	.	.			trans	-77.8	96.8	179.4	-57.9	170.8	0	0	0	108.8	T477 V479 I510 H548 V549 V556 R623	T477-I551 HydrophobicContact CG2-CG1 4.16Å; T477-I551 HydrophobicContact CG2-CG2 4.36Å; V479-I551 HydrophobicContact CG2-CD1 4.04Å; V479-I551 HydrophobicContact CG2-CG1 4.47Å; I510-I551 HydrophobicContact CD1-CG1 3.58Å; H548-I551 HydrophobicContact CB-CD1 3.95Å; H548-I551 HydrophobicContact CB-CG1 4.03Å; H548-I551 PolarHBondContact O-N 3.1Å; V549-I551 PolarHBondContact O-N 3.05Å; I551-V556 HydrophobicContact CG2-CG2 3.7Å; I551-R623 HydrophobicContact CG2-CG 4Å; I551-R623 VanDerWaalsContact O-CD 3.23Å; I551-R623 WeakPolarHBondContact O-CD 3.44Å; I551-R623 PolarHBondContact O-NH1 3.47Å
552	E	88.8	Confident	90	Very high	152 Å²	152	33.6 Å²	33.6	71%	0.71	19%	0.185	S	C	*	.			trans	-90.4	-29.1	-179.6	-67.9	179.9	-180	0	0	112.9	A550 R623	A550-E552 PolarHBondContact O-N 3.29Å; E552-R623 PolarHBondContact O-NH1 3.21Å; E552-R623 VanDerWaalsContact O-NH1 3.14Å
553	T	93.6	Very high	90	Very high	17 Å²	17	33.6 Å²	33.6	10%	0.104	18%	0.184	C	C	.	.	S	Bend	trans	-76.8	151	-176.6	60.2	0	0	0	0	112.8	E475 T477 A555	E475-T553 HydrophobicContact CB-CG2 4.29Å; T477-T553 VanDerWaalsContact CB-OG1 3.23Å; T477-T553 WeakPolarHBondContact CB-OG1 3.48Å; T477-T553 PolarHBondContact N-OG1 3.1Å; T477-T553 PolarHBondContact OG1-OG1 2.91Å; T553-A555 PolarHBondContact OG1-O 3.18Å
554	E	93.7	Very high	90	Very high	50 Å²	50	37 Å²	37	23%	0.234	21%	0.205	C	C	.	.	S	Bend	trans	-67.1	-36.7	174.2	-64.6	-178.6	165.8	0	0	112.5	Y465 P472 G473 W577 H622 R623	Y465-E554 PolarHBondContact OH-OE1 3.48Å; Y465-E554 VanDerWaalsContact OH-OE1 3.13Å; Y465-E554 PolarHBondContact OH-OE2 3.12Å; Y465-E554 VanDerWaalsContact OH-OE2 3.14Å; P472-E554 VanDerWaalsContact CA-OE2 3.32Å; P472-E554 WeakPolarHBondContact CA-OE2 3.48Å; G473-E554 PolarHBondContact N-OE2 3.14Å; E554-W577 HydrophobicContact CB-CH2 4.42Å; E554-H622 CarbonylContact O-C 3.55Å; E554-H622 WeakPolarHBondContact O-CA 3.35Å; E554-R623 PolarHBondContact O-N 2.76Å
555	A	96.3	Very high	90	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.9	178.6	0	0	0	0	0	111.2	F476 T477 T553 F574 W577	F476-A555 WeakPolarHBondContact CA-O 3.42Å; F476-A555 HydrophobicContact CB-CB 3.62Å; T477-A555 PolarHBondContact N-O 2.95Å; T477-A555 VanDerWaalsContact N-O 3.11Å; T553-A555 PolarHBondContact OG1-O 3.18Å; A555-F574 HydrophobicContact CB-CD2 4.34Å; A555-F574 HydrophobicContact CB-CE2 3.72Å; A555-W577 HydrophobicContact CB-CD2 4.28Å; A555-W577 HydrophobicContact CB-CE3 3.78Å; A555-W577 HydrophobicContact CB-CH2 3.48Å; A555-W577 VanDerWaalsContact CB-CH2 3.48Å; A555-W577 HydrophobicContact CB-CZ2 3.98Å; A555-W577 HydrophobicContact CB-CZ3 3.38Å
556	V	96.7	Very high	90	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.8	173.3	-176.6	0	0	0	0	108.9	T477 V479 I551 F620 Y621 R623	T477-V556 WeakPolarHBondContact O-CA 3.4Å; V479-V556 HydrophobicContact CB-CG1 4.39Å; V479-V556 HydrophobicContact CG2-CG1 3.76Å; I551-V556 HydrophobicContact CG2-CG2 3.7Å; V556-F620 VanDerWaalsContact O-CA 3.32Å; V556-F620 WeakPolarHBondContact O-CA 3.4Å; V556-Y621 HydrophobicContact CB-CD2 4.31Å; V556-Y621 HydrophobicContact CB-CE2 3.85Å; V556-Y621 HydrophobicContact CG1-CE2 4.08Å; V556-Y621 HydrophobicContact CG2-CE2 4.39Å; V556-Y621 PolarHBondContact N-O 2.91Å; V556-Y621 PolarHBondContact O-N 3.48Å; V556-R623 HydrophobicContact CG2-CB 4.04Å; V556-R623 HydrophobicContact CG2-CG 4.47Å
557	L	96.7	Very high	90.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.9	169.9	175.2	54.6	0	0	0	108.9	F476 T477 A478 V479 L559 V570 F620	F476-L557 HydrophobicContact CD2-CB 3.77Å; F476-L557 HydrophobicContact CD2-CD2 4.29Å; F476-L557 HydrophobicContact CE2-CB 4Å; F476-L557 HydrophobicContact CE2-CD2 3.66Å; F476-L557 HydrophobicContact CE2-CG 4.49Å; F476-L557 HydrophobicContact CZ-CD2 4.17Å; T477-L557 PolarHBondContact O-N 3.05Å; A478-L557 CarbonylContact C-O 3.58Å; A478-L557 WeakPolarHBondContact CA-O 3.4Å; A478-L557 HydrophobicContact CB-CB 4.41Å; V479-L557 PolarHBondContact N-O 3.49Å; L557-L559 HydrophobicContact CD1-CD2 4.1Å; L557-L559 HydrophobicContact CD1-CG 4.14Å; L557-L559 HydrophobicContact CD2-CD1 3.83Å; L557-L559 HydrophobicContact CD2-CG 4.31Å; L557-L559 HydrophobicContact CG-CD1 3.87Å; L557-L559 HydrophobicContact CG-CD2 4.3Å; L557-L559 HydrophobicContact CG-CG 3.86Å; L557-V570 HydrophobicContact CD2-CG1 3.8Å; L557-F620 HydrophobicContact CB-CD1 3.92Å; L557-F620 HydrophobicContact CB-CE1 3.56Å; L557-F620 HydrophobicContact CB-CZ 3.88Å; L557-F620 HydrophobicContact CD1-CD1 4.37Å; L557-F620 HydrophobicContact CD1-CD2 3.84Å; L557-F620 HydrophobicContact CD1-CE1 4.21Å; L557-F620 HydrophobicContact CD1-CE2 3.63Å; L557-F620 HydrophobicContact CD1-CG 4.2Å; L557-F620 HydrophobicContact CD1-CZ 3.84Å; L557-F620 HydrophobicContact CD2-CE1 4.27Å; L557-F620 HydrophobicContact CD2-CE2 4.22Å; L557-F620 HydrophobicContact CD2-CZ 3.74Å; L557-F620 HydrophobicContact CG-CE1 4.2Å; L557-F620 HydrophobicContact CG-CE2 4.31Å; L557-F620 HydrophobicContact CG-CZ 4Å
558	S	95.8	Very high	90.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.2	177.7	178.9	0	0	0	0	110.4	R544 T616 G617 A618 A619 Y621	R544-S558 PolarHBondContact NE-OG 3.07Å; R544-S558 PolarHBondContact NH2-OG 3.14Å; S558-T616 CarbonylContact C-O 3.55Å; S558-T616 WeakPolarHBondContact CB-O 3.33Å; S558-T616 VanDerWaalsContact O-O 3.12Å; S558-T616 PolarHBondContact OG-O 3.14Å; S558-G617 CarbonylContact O-C 2.99Å; S558-A618 WeakPolarHBondContact O-CA 3.2Å; S558-A619 PolarHBondContact N-O 2.96Å; S558-A619 PolarHBondContact O-N 3.31Å; S558-A619 VanDerWaalsContact O-N 3.1Å; S558-Y621 VanDerWaalsContact CB-CE1 3.47Å
559	L	94.1	Very high	90.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.9	-173.3	-67.5	165.8	0	0	0	111.8	V479 I480 H481 L496 V500 R544 L557 T563 L565 G617 A618	V479-L559 PolarHBondContact O-N 3.36Å; I480-L559 WeakPolarHBondContact CA-O 3.38Å; I480-L559 HydrophobicContact CG1-CB 4.15Å; I480-L559 HydrophobicContact CG1-CD1 4.23Å; H481-L559 PolarHBondContact N-O 2.94Å; L496-L559 HydrophobicContact CD1-CD1 4.18Å; L496-L559 HydrophobicContact CD2-CB 4.22Å; L496-L559 HydrophobicContact CD2-CD1 4.35Å; L496-L559 HydrophobicContact CG-CD1 4.42Å; V500-L559 HydrophobicContact CG2-CD1 3.7Å; R544-L559 PolarHBondContact NH2-O 3Å; L557-L559 HydrophobicContact CD1-CD2 4.1Å; L557-L559 HydrophobicContact CD1-CG 4.14Å; L557-L559 HydrophobicContact CD2-CD1 3.83Å; L557-L559 HydrophobicContact CD2-CG 4.31Å; L557-L559 HydrophobicContact CG-CD1 3.87Å; L557-L559 HydrophobicContact CG-CD2 4.3Å; L557-L559 HydrophobicContact CG-CG 3.86Å; L559-T563 HydrophobicContact CD2-CG2 3.82Å; L559-L565 HydrophobicContact CD2-CD1 3.8Å; L559-G617 CarbonylContact C-O 3.56Å; L559-G617 WeakPolarHBondContact CA-O 3.41Å; L559-A618 HydrophobicContact CD2-CB 4.35Å
560	D	91.1	Very high	90.9	Very high	43 Å²	43	32.1 Å²	32.1	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151.1	167.5	-62.4	-14.2	0	0	0	110.3	L496 R544 D562 T563 G617	L496-D560 WeakPolarHBondContact CD2-O 3.46Å; R544-D560 IonicContact CZ-OD1 3.76Å; R544-D560 VanDerWaalsContact CZ-OD1 3.28Å; R544-D560 IonicContact NH1-OD1 3.46Å; R544-D560 PolarHBondContact NH1-OD1 3.31Å; R544-D560 IonicContact NH2-OD1 3.9Å; R544-D560 PolarHBondContact NH2-OD1 2.75Å; D560-D562 WeakPolarHBondContact CB-OD1 3.49Å; D560-D562 PolarHBondContact O-N 2.86Å; D560-D562 VanDerWaalsContact O-N 3.12Å; D560-T563 PolarHBondContact N-OG1 2.83Å; D560-T563 WeakPolarHBondContact O-CB 3.45Å; D560-T563 PolarHBondContact O-N 2.64Å; D560-T563 PolarHBondContact O-OG1 3.07Å; D560-G617 PolarHBondContact N-O 2.9Å; D560-G617 VanDerWaalsContact OD1-CA 3.27Å; D560-G617 WeakPolarHBondContact OD1-CA 3.45Å; D560-G617 WeakPolarHBondContact OD2-CA 3.46Å
561	E	88.1	Confident	91.3	Very high	34 Å²	34	32.3 Å²	32.3	16%	0.159	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23	-173.8	63.3	178.9	-164.5	0	0	115.1	H481 A482 V483 S484 I493	H481-E561 WeakPolarHBondContact O-CB 3.34Å; H481-E561 PolarHBondContact O-N 3.4Å; A482-E561 WeakPolarHBondContact CA-OE2 3.45Å; V483-E561 VanDerWaalsContact CG2-OE1 3.28Å; V483-E561 WeakPolarHBondContact CG2-OE1 3.44Å; V483-E561 PolarHBondContact N-OE2 2.76Å; S484-E561 WeakPolarHBondContact CB-OE1 3.35Å; S484-E561 PolarHBondContact N-OE1 2.86Å; S484-E561 PolarHBondContact N-OE2 3.46Å; S484-E561 PolarHBondContact OG-OE1 3.06Å; I493-E561 HydrophobicContact CB-CB 4.34Å; I493-E561 HydrophobicContact CD1-CB 4.2Å; I493-E561 HydrophobicContact CG1-CB 4.48Å; I493-E561 PolarHBondContact N-O 3.37Å
562	D	85	Confident	91.4	Very high	75 Å²	75	34.3 Å²	34.3	40%	0.401	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	2	-179.8	66.7	-25.6	0	0	0	113.4	D560 V564	D560-D562 WeakPolarHBondContact CB-OD1 3.49Å; D560-D562 PolarHBondContact O-N 2.86Å; D560-D562 VanDerWaalsContact O-N 3.12Å; D562-V564 PolarHBondContact O-N 3.47Å
563	T	87.1	Confident	91.6	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.037	15%	0.149	C	C	.	.			trans	-65.2	127.4	-177	-63.3	0	0	0	0	111.8	L559 D560 L565 G617 A618	L559-T563 HydrophobicContact CD2-CG2 3.82Å; D560-T563 PolarHBondContact N-OG1 2.83Å; D560-T563 WeakPolarHBondContact O-CB 3.45Å; D560-T563 PolarHBondContact O-N 2.64Å; D560-T563 PolarHBondContact O-OG1 3.07Å; T563-L565 HydrophobicContact CG2-CD1 3.65Å; T563-L565 HydrophobicContact CG2-CG 3.67Å; T563-G617 PolarHBondContact OG1-O 3.4Å; T563-A618 HydrophobicContact CG2-CB 3.99Å
564	V	86.6	Confident	91.6	Very high	76 Å²	76	26.3 Å²	26.3	46%	0.461	14%	0.144	S	C	.	.			trans	-108.8	102.9	177.6	-174.8	0	0	0	0	110.2	D562 Q669 K671	D562-V564 PolarHBondContact O-N 3.47Å; V564-Q669 PolarHBondContact O-NE2 2.95Å; V564-K671 HydrophobicContact CG1-CD 4.09Å
565	L	87.6	Confident	91.6	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.042	15%	0.151	C	C	.	.			trans	-128.2	162.8	177.6	-68.1	171.9	0	0	0	111.5	V499 L559 T563 V570 Y587 Q669	V499-L565 WeakPolarHBondContact CG1-O 3.11Å; V499-L565 WeakPolarHBondContact CG2-O 3.41Å; L559-L565 HydrophobicContact CD2-CD1 3.8Å; T563-L565 HydrophobicContact CG2-CD1 3.65Å; T563-L565 HydrophobicContact CG2-CG 3.67Å; L565-V570 HydrophobicContact CB-CG2 4.25Å; L565-V570 HydrophobicContact CD1-CG2 4.31Å; L565-Y587 HydrophobicContact CD1-CD2 4.2Å; L565-Y587 HydrophobicContact CD1-CE2 3.58Å; L565-Y587 HydrophobicContact CD2-CD1 4.01Å; L565-Y587 HydrophobicContact CD2-CD2 3.96Å; L565-Y587 HydrophobicContact CD2-CE1 3.76Å; L565-Y587 HydrophobicContact CD2-CE2 3.74Å; L565-Y587 HydrophobicContact CD2-CG 4.1Å; L565-Y587 HydrophobicContact CG-CE2 4.33Å; L565-Q669 HydrophobicContact CD2-CG 4.01Å
566	L	90.3	Very high	91.5	Very high	67 Å²	67	27.8 Å²	27.8	35%	0.351	15%	0.154	S	C	.	.			trans	-103.6	151.8	169.8	-57.8	173.4	0	0	0	110.6	S568 E569 V570	L566-S568 PolarHBondContact O-N 3.15Å; L566-E569 HydrophobicContact CB-CB 4.47Å; L566-E569 HydrophobicContact CB-CG 4.04Å; L566-E569 WeakPolarHBondContact CB-OE2 3.42Å; L566-E569 PolarHBondContact N-OE2 3.37Å; L566-E569 WeakPolarHBondContact O-CB 3.25Å; L566-E569 PolarHBondContact O-N 3.28Å; L566-V570 PolarHBondContact O-N 3.18Å
567	T	90.4	Very high	91.4	Very high	32 Å²	32	27.8 Å²	27.8	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-34.5	179	-53.3	0	0	0	0	111.8	V499 R502 E569 V570 N571	V499-T567 PolarHBondContact O-OG1 3.23Å; R502-T567 HydrophobicContact CB-CG2 3.99Å; R502-T567 WeakPolarHBondContact O-CG2 3.25Å; T567-E569 VanDerWaalsContact C-N 3.33Å; T567-E569 PolarHBondContact O-N 3.46Å; T567-V570 PolarHBondContact O-N 2.71Å; T567-N571 WeakPolarHBondContact O-CB 3.34Å; T567-N571 PolarHBondContact O-N 2.96Å; T567-N571 PolarHBondContact O-ND2 2.74Å; T567-N571 PolarHBondContact O-OD1 3.18Å
568	S	88.8	Confident	91.2	Very high	66 Å²	66	30.6 Å²	30.6	46%	0.462	16%	0.164	S	C	.	.	H	α-helix	trans	-65.5	-34	174.5	58.8	0	0	0	0	113.2	L566 F572	L566-S568 PolarHBondContact O-N 3.15Å; S568-F572 WeakPolarHBondContact O-CB 3.4Å; S568-F572 PolarHBondContact O-N 3.17Å
569	E	90.3	Very high	90.9	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-71.9	-44.3	178.3	-65.7	172	143.8	0	0	110	L566 T567 N571 F572 A573 Y587 R670	L566-E569 HydrophobicContact CB-CB 4.47Å; L566-E569 HydrophobicContact CB-CG 4.04Å; L566-E569 WeakPolarHBondContact CB-OE2 3.42Å; L566-E569 PolarHBondContact N-OE2 3.37Å; L566-E569 WeakPolarHBondContact O-CB 3.25Å; L566-E569 PolarHBondContact O-N 3.28Å; T567-E569 VanDerWaalsContact C-N 3.33Å; T567-E569 PolarHBondContact O-N 3.46Å; E569-N571 PolarHBondContact O-N 2.86Å; E569-F572 PolarHBondContact O-N 3.16Å; E569-A573 WeakPolarHBondContact O-CB 3.48Å; E569-A573 PolarHBondContact O-N 3.41Å; E569-Y587 VanDerWaalsContact C-OH 3.25Å; E569-Y587 HydrophobicContact CB-CE1 4.18Å; E569-Y587 PolarHBondContact O-OH 3.14Å; E569-Y587 VanDerWaalsContact O-OH 3.1Å; E569-R670 WeakPolarHBondContact OE1-CB 3.3Å; E569-R670 PolarHBondContact OE1-N 3.37Å
570	V	92.8	Very high	90.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-48.2	173.9	177.2	0	0	0	0	111	F476 V499 L557 L565 L566 T567 F572 A573 F574 F620	F476-V570 HydrophobicContact CE1-CG1 4.16Å; F476-V570 HydrophobicContact CE2-CG1 4.4Å; F476-V570 HydrophobicContact CZ-CG1 3.59Å; V499-V570 HydrophobicContact CG1-CG2 4.39Å; L557-V570 HydrophobicContact CD2-CG1 3.8Å; L565-V570 HydrophobicContact CB-CG2 4.25Å; L565-V570 HydrophobicContact CD1-CG2 4.31Å; L566-V570 PolarHBondContact O-N 3.18Å; T567-V570 PolarHBondContact O-N 2.71Å; V570-F572 PolarHBondContact O-N 3.49Å; V570-A573 PolarHBondContact O-N 3.04Å; V570-F574 WeakPolarHBondContact O-CB 3.38Å; V570-F574 PolarHBondContact O-N 2.59Å; V570-F620 HydrophobicContact CG1-CZ 4.22Å
571	N	92.9	Very high	90.9	Very high	38 Å²	38	34 Å²	34	20%	0.203	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-43.3	177.4	-69.8	-12.9	0	0	0	112.1	S503 Y505 T567 E569 L575	S503-N571 WeakPolarHBondContact CB-OD1 3.28Å; S503-N571 PolarHBondContact OG-OD1 3.49Å; Y505-N571 HydrophobicContact CD2-CB 4.41Å; Y505-N571 HydrophobicContact CE2-CB 4.24Å; T567-N571 WeakPolarHBondContact O-CB 3.34Å; T567-N571 PolarHBondContact O-N 2.96Å; T567-N571 PolarHBondContact O-ND2 2.74Å; T567-N571 PolarHBondContact O-OD1 3.18Å; E569-N571 PolarHBondContact O-N 2.86Å; N571-L575 WeakPolarHBondContact O-CG 3.49Å; N571-L575 PolarHBondContact O-N 3.13Å; N571-L575 VanDerWaalsContact O-N 3.12Å
572	F	91.8	Very high	91.1	Very high	45 Å²	45	33.1 Å²	33.1	20%	0.197	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-46.5	179.2	176	-103.4	0	0	0	111.9	S568 E569 V570 F574 L575 V576 V667 L719 P721	S568-F572 WeakPolarHBondContact O-CB 3.4Å; S568-F572 PolarHBondContact O-N 3.17Å; E569-F572 PolarHBondContact O-N 3.16Å; V570-F572 PolarHBondContact O-N 3.49Å; F572-F574 VanDerWaalsContact C-N 3.29Å; F572-F574 PolarHBondContact O-N 2.98Å; F572-L575 PolarHBondContact O-N 3.45Å; F572-L575 VanDerWaalsContact O-N 3.15Å; F572-V576 HydrophobicContact CD1-CG2 4.24Å; F572-V576 HydrophobicContact CD2-CG2 4.48Å; F572-V576 HydrophobicContact CE1-CG2 3.76Å; F572-V576 HydrophobicContact CE2-CG2 4.03Å; F572-V576 HydrophobicContact CZ-CG2 3.64Å; F572-V576 WeakPolarHBondContact O-CG2 3.41Å; F572-V576 PolarHBondContact O-N 3.25Å; F572-V667 HydrophobicContact CE1-CB 4.36Å; F572-V667 HydrophobicContact CE1-CG1 4.13Å; F572-L719 WeakPolarHBondContact CE1-O 3.32Å; F572-L719 HydrophobicContact CZ-CB 4.39Å; F572-P721 HydrophobicContact CD2-CB 3.93Å; F572-P721 HydrophobicContact CE2-CB 4.05Å; F572-P721 HydrophobicContact CG-CB 4.17Å; F572-P721 HydrophobicContact CZ-CB 4.41Å
573	A	93.4	Very high	91.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-38.5	178.3	0	0	0	0	0	112	E569 V570 V576 W577 Y587 F620 V667	E569-A573 WeakPolarHBondContact O-CB 3.48Å; E569-A573 PolarHBondContact O-N 3.41Å; V570-A573 PolarHBondContact O-N 3.04Å; A573-V576 PolarHBondContact O-N 3.26Å; A573-W577 WeakPolarHBondContact O-CB 3.04Å; A573-W577 PolarHBondContact O-N 3.13Å; A573-Y587 VanDerWaalsContact CB-OH 3.31Å; A573-Y587 WeakPolarHBondContact CB-OH 3.27Å; A573-F620 HydrophobicContact CB-CD2 3.88Å; A573-F620 HydrophobicContact CB-CE2 3.7Å; A573-V667 HydrophobicContact CB-CG2 4.07Å
574	F	95.1	Very high	92	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-44.4	173.4	179.1	-115.5	0	0	0	112.3	H474 F476 Y505 A555 V570 F572 V576 W577 R578 F620	H474-F574 VanDerWaalsContact O-CE1 3.26Å; H474-F574 WeakPolarHBondContact O-CE1 3.38Å; H474-F574 WeakPolarHBondContact O-CZ 3.46Å; F476-F574 HydrophobicContact CB-CD2 4.05Å; F476-F574 HydrophobicContact CB-CE2 3.88Å; F476-F574 HydrophobicContact CD1-CB 4.27Å; F476-F574 HydrophobicContact CD1-CD1 4.27Å; F476-F574 AromaticContact CD1-CD2 3.67Å; F476-F574 HydrophobicContact CD1-CD2 3.67Å; F476-F574 HydrophobicContact CD1-CE2 4.03Å; F476-F574 AromaticContact CD1-CG 3.8Å; F476-F574 HydrophobicContact CD1-CG 3.8Å; F476-F574 HydrophobicContact CD1-CZ 4.45Å; F476-F574 HydrophobicContact CE1-CB 4.39Å; F476-F574 HydrophobicContact CE1-CG 4.31Å; F476-F574 HydrophobicContact CG-CD2 4.23Å; F476-F574 HydrophobicContact CG-CE2 4.44Å; Y505-F574 HydrophobicContact CD1-CD1 4.09Å; Y505-F574 AromaticContact CD1-CE1 3.8Å; Y505-F574 HydrophobicContact CD1-CE1 3.8Å; Y505-F574 AromaticContact CD2-CD1 3.57Å; Y505-F574 HydrophobicContact CD2-CD1 3.57Å; Y505-F574 HydrophobicContact CD2-CE1 4.14Å; Y505-F574 HydrophobicContact CE2-CD1 4.25Å; Y505-F574 AromaticContact CG-CD1 3.47Å; Y505-F574 HydrophobicContact CG-CD1 3.47Å; Y505-F574 VanDerWaalsContact CG-CD1 3.47Å; Y505-F574 AromaticContact CG-CE1 3.56Å; Y505-F574 HydrophobicContact CG-CE1 3.56Å; A555-F574 HydrophobicContact CB-CD2 4.34Å; A555-F574 HydrophobicContact CB-CE2 3.72Å; V570-F574 WeakPolarHBondContact O-CB 3.38Å; V570-F574 PolarHBondContact O-N 2.59Å; F572-F574 VanDerWaalsContact C-N 3.29Å; F572-F574 PolarHBondContact O-N 2.98Å; F574-V576 VanDerWaalsContact C-N 3.31Å; F574-V576 PolarHBondContact O-N 3.14Å; F574-W577 HydrophobicContact CD2-CE3 4.19Å; F574-W577 AromaticContact CE2-CE3 3.95Å; F574-W577 HydrophobicContact CE2-CE3 3.95Å; F574-W577 HydrophobicContact CE2-CZ3 4.15Å; F574-W577 PolarHBondContact O-N 3.02Å; F574-R578 HydrophobicContact CE1-CG 4.17Å; F574-R578 HydrophobicContact CE2-CG 4.16Å; F574-R578 HydrophobicContact CZ-CG 3.95Å; F574-R578 WeakPolarHBondContact O-CG 3.27Å; F574-R578 PolarHBondContact O-N 3.13Å; F574-F620 HydrophobicContact CB-CE1 3.99Å; F574-F620 HydrophobicContact CB-CE2 4.16Å; F574-F620 HydrophobicContact CB-CZ 3.68Å; F574-F620 HydrophobicContact CD2-CD1 4.14Å; F574-F620 AromaticContact CD2-CE1 3.73Å; F574-F620 HydrophobicContact CD2-CE1 3.73Å; F574-F620 HydrophobicContact CD2-CZ 4.31Å; F574-F620 HydrophobicContact CG-CE1 4.28Å; F574-F620 HydrophobicContact CG-CZ 4.43Å
575	L	93.1	Very high	92.5	Very high	70 Å²	70	27.6 Å²	27.6	37%	0.366	15%	0.15	S	C	.	.	H	α-helix	trans	-62.4	-39	176.2	-70.3	173.6	0	0	0	112.2	Y505 N571 F572 R578 S579	Y505-L575 HydrophobicContact CE2-CD2 4.4Å; Y505-L575 HydrophobicContact CE2-CG 4.4Å; N571-L575 WeakPolarHBondContact O-CG 3.49Å; N571-L575 PolarHBondContact O-N 3.13Å; N571-L575 VanDerWaalsContact O-N 3.12Å; F572-L575 PolarHBondContact O-N 3.45Å; F572-L575 VanDerWaalsContact O-N 3.15Å; L575-R578 PolarHBondContact O-N 3.29Å; L575-S579 PolarHBondContact O-N 2.84Å
576	V	92.8	Very high	92.8	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-44.1	173.4	173.2	0	0	0	0	110.7	F572 A573 F574 R578 S579 F580 V585 V665 V667 L719	F572-V576 HydrophobicContact CD1-CG2 4.24Å; F572-V576 HydrophobicContact CD2-CG2 4.48Å; F572-V576 HydrophobicContact CE1-CG2 3.76Å; F572-V576 HydrophobicContact CE2-CG2 4.03Å; F572-V576 HydrophobicContact CZ-CG2 3.64Å; F572-V576 WeakPolarHBondContact O-CG2 3.41Å; F572-V576 PolarHBondContact O-N 3.25Å; A573-V576 PolarHBondContact O-N 3.26Å; F574-V576 VanDerWaalsContact C-N 3.31Å; F574-V576 PolarHBondContact O-N 3.14Å; V576-R578 VanDerWaalsContact C-N 3.3Å; V576-R578 PolarHBondContact O-N 3.19Å; V576-S579 WeakPolarHBondContact O-CB 3.34Å; V576-S579 PolarHBondContact O-N 3.4Å; V576-S579 VanDerWaalsContact O-N 3.09Å; V576-F580 HydrophobicContact CG1-CD2 4.06Å; V576-F580 HydrophobicContact CG1-CE2 4.42Å; V576-F580 WeakPolarHBondContact O-CD2 3.48Å; V576-F580 PolarHBondContact O-N 3.35Å; V576-V585 HydrophobicContact CB-CG1 4.1Å; V576-V585 HydrophobicContact CG1-CG1 3.64Å; V576-V585 HydrophobicContact CG1-CG2 4.45Å; V576-V665 HydrophobicContact CG1-CG1 4.06Å; V576-V667 HydrophobicContact CB-CG1 4.18Å; V576-V667 HydrophobicContact CG1-CG1 4.01Å; V576-V667 HydrophobicContact CG2-CG1 4.12Å; V576-L719 HydrophobicContact CG1-CD1 3.52Å; V576-L719 HydrophobicContact CG2-CB 4.36Å; V576-L719 HydrophobicContact CG2-CD1 4.31Å
577	W	95.1	Very high	92.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-38.3	176.1	177.8	84.3	0	0	0	112.3	P472 E554 A555 A573 F574 S579 F580 P581 V585 F620 H622	P472-W577 HydrophobicContact CB-CH2 3.94Å; P472-W577 HydrophobicContact CB-CZ3 3.77Å; P472-W577 HydrophobicContact CG-CZ3 4.21Å; E554-W577 HydrophobicContact CB-CH2 4.42Å; A555-W577 HydrophobicContact CB-CD2 4.28Å; A555-W577 HydrophobicContact CB-CE3 3.78Å; A555-W577 HydrophobicContact CB-CH2 3.48Å; A555-W577 VanDerWaalsContact CB-CH2 3.48Å; A555-W577 HydrophobicContact CB-CZ2 3.98Å; A555-W577 HydrophobicContact CB-CZ3 3.38Å; A573-W577 WeakPolarHBondContact O-CB 3.04Å; A573-W577 PolarHBondContact O-N 3.13Å; F574-W577 HydrophobicContact CD2-CE3 4.19Å; F574-W577 AromaticContact CE2-CE3 3.95Å; F574-W577 HydrophobicContact CE2-CE3 3.95Å; F574-W577 HydrophobicContact CE2-CZ3 4.15Å; F574-W577 PolarHBondContact O-N 3.02Å; W577-S579 PolarHBondContact O-N 3Å; W577-F580 CarbonylContact O-C 3.56Å; W577-F580 WeakPolarHBondContact O-CA 3.09Å; W577-F580 PolarHBondContact O-N 2.95Å; W577-P581 HydrophobicContact CH2-CB 4.4Å; W577-P581 HydrophobicContact CZ2-CB 4.23Å; W577-P581 WeakPolarHBondContact O-CA 3.49Å; W577-V585 HydrophobicContact CB-CB 4.11Å; W577-V585 HydrophobicContact CB-CG2 3.97Å; W577-V585 HydrophobicContact CG-CG2 4.39Å; W577-F620 HydrophobicContact CB-CB 3.83Å; W577-F620 HydrophobicContact CB-CG 4.28Å; W577-F620 HydrophobicContact CG-CB 3.69Å; W577-F620 HydrophobicContact CG-CG 4.43Å; W577-H622 HydrophobicContact CZ2-CB 4.13Å; W577-H622 AromaticContact CZ2-CD2 3.93Å
578	R	92.7	Very high	92.8	Very high	60 Å²	60	23.2 Å²	23.2	23%	0.226	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-28	175.6	-70.2	-175.1	73.3	-136.7	-4.1	113.4	P472 G473 H474 F574 L575 V576	P472-R578 HydrophobicContact CG-CB 3.95Å; P472-R578 HydrophobicContact CG-CG 4.07Å; P472-R578 WeakPolarHBondContact CG-O 3.31Å; P472-R578 PolarHBondContact O-NH2 2.87Å; G473-R578 PolarHBondContact O-NE 3.1Å; H474-R578 PolarHBondContact CE1-NH2 3.24Å; H474-R578 VanDerWaalsContact CE1-NH2 3.26Å; H474-R578 PolarHBondContact ND1-NH2 3.18Å; F574-R578 HydrophobicContact CE1-CG 4.17Å; F574-R578 HydrophobicContact CE2-CG 4.16Å; F574-R578 HydrophobicContact CZ-CG 3.95Å; F574-R578 WeakPolarHBondContact O-CG 3.27Å; F574-R578 PolarHBondContact O-N 3.13Å; L575-R578 PolarHBondContact O-N 3.29Å; V576-R578 VanDerWaalsContact C-N 3.3Å; V576-R578 PolarHBondContact O-N 3.19Å
579	S	90.1	Very high	92.9	Very high	79 Å²	79	20.7 Å²	20.7	55%	0.552	11%	0.107	S	C	*	.	H	α-helix	trans	-80	-20.2	173.1	-58.5	0	0	0	0	113.2	L575 V576 W577	L575-S579 PolarHBondContact O-N 2.84Å; V576-S579 WeakPolarHBondContact O-CB 3.34Å; V576-S579 PolarHBondContact O-N 3.4Å; V576-S579 VanDerWaalsContact O-N 3.09Å; W577-S579 PolarHBondContact O-N 3Å
580	F	92.1	Very high	93	Very high	20 Å²	20	21.1 Å²	21.1	9%	0.088	11%	0.109	C	C	.	.	S	Bend	trans	-135.1	58.8	-178.2	-55.4	-63.5	0	0	0	111.9	V576 W577 D582 R583 V585 V665 L719	V576-F580 HydrophobicContact CG1-CD2 4.06Å; V576-F580 HydrophobicContact CG1-CE2 4.42Å; V576-F580 WeakPolarHBondContact O-CD2 3.48Å; V576-F580 PolarHBondContact O-N 3.35Å; W577-F580 CarbonylContact O-C 3.56Å; W577-F580 WeakPolarHBondContact O-CA 3.09Å; W577-F580 PolarHBondContact O-N 2.95Å; F580-D582 PolarHBondContact O-N 3.38Å; F580-R583 HydrophobicContact CB-CB 4.42Å; F580-R583 PolarHBondContact O-N 2.88Å; F580-V585 HydrophobicContact CB-CG2 4.49Å; F580-V665 HydrophobicContact CB-CG2 4.38Å; F580-V665 HydrophobicContact CD2-CG2 4.22Å; F580-V665 HydrophobicContact CG-CG2 4.29Å; F580-L719 HydrophobicContact CD2-CD1 4.41Å; F580-L719 HydrophobicContact CE2-CD1 3.7Å
581	P	92.6	Very high	93	Very high	14 Å²	14	21.5 Å²	21.5	9%	0.091	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22	-169	26.6	-34.6	0	0	0	113.3	P462 Y465 P472 W577 R583	P462-P581 HydrophobicContact CB-CB 4.5Å; Y465-P581 HydrophobicContact CD2-CB 3.91Å; Y465-P581 HydrophobicContact CD2-CG 3.65Å; Y465-P581 HydrophobicContact CE2-CB 4.15Å; Y465-P581 HydrophobicContact CE2-CG 4.39Å; Y465-P581 HydrophobicContact CG-CG 4.48Å; P472-P581 HydrophobicContact CB-CB 4.34Å; P472-P581 HydrophobicContact CG-CB 4.18Å; P472-P581 HydrophobicContact CG-CG 4.48Å; W577-P581 HydrophobicContact CH2-CB 4.4Å; W577-P581 HydrophobicContact CZ2-CB 4.23Å; W577-P581 WeakPolarHBondContact O-CA 3.49Å; P581-R583 VanDerWaalsContact C-N 3.3Å
582	D	92.9	Very high	93	Very high	17 Å²	17	20.1 Å²	20.1	9%	0.091	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.6	175.6	60.7	-24.7	0	0	0	113.1	R52 P462 F463 F580 Y625 T660 L662	R52-D582 IonicContact NH1-OD2 2.73Å; P462-D582 HydrophobicContact CB-CB 4.31Å; F463-D582 HydrophobicContact CD1-CB 4.23Å; F580-D582 PolarHBondContact O-N 3.38Å; D582-Y625 PolarHBondContact O-OH 2.82Å; D582-T660 HydrophobicContact CB-CG2 4.11Å; D582-T660 VanDerWaalsContact O-CG2 3.27Å; D582-T660 WeakPolarHBondContact O-CG2 3.45Å; D582-L662 WeakPolarHBondContact OD2-CD1 3.38Å
583	R	93.9	Very high	93	Very high	38 Å²	38	22.1 Å²	22.1	14%	0.143	11%	0.112	C	C	.	.	S	Bend	trans	-111.5	159.5	-173.1	-69	-176.6	-97.3	179.8	-8.4	113.3	F580 P581 L662 P663 V665	F580-R583 HydrophobicContact CB-CB 4.42Å; F580-R583 PolarHBondContact O-N 2.88Å; P581-R583 VanDerWaalsContact C-N 3.3Å; R583-L662 HydrophobicContact CG-CB 4.22Å; R583-L662 HydrophobicContact CG-CD1 4.39Å; R583-P663 WeakPolarHBondContact CD-O 3.23Å; R583-V665 HydrophobicContact CB-CG2 4.42Å
584	I	96.8	Very high	92.9	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	13%	0.131	C	C	.	.			trans	-76.7	126.3	167.1	-56.2	177.1	0	0	0	108	V614 A619 F620 M652 N653 V656 P664 V665	I584-V614 HydrophobicContact CG2-CB 4.22Å; I584-V614 HydrophobicContact CG2-CG1 4.2Å; I584-A619 HydrophobicContact CG2-CB 3.72Å; I584-F620 WeakPolarHBondContact CA-O 3.39Å; I584-M652 HydrophobicContact CD1-CG 4.23Å; I584-N653 HydrophobicContact CD1-CB 4.49Å; I584-V656 HydrophobicContact CD1-CB 4.02Å; I584-V656 HydrophobicContact CD1-CG1 4.45Å; I584-V656 HydrophobicContact CD1-CG2 3.83Å; I584-V656 HydrophobicContact CG1-CB 4.13Å; I584-V656 HydrophobicContact CG1-CG1 4.03Å; I584-V656 HydrophobicContact CG1-CG2 3.92Å; I584-P664 HydrophobicContact CB-CB 4.24Å; I584-V665 PolarHBondContact O-N 2.89Å
585	V	96.6	Very high	92.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.3	177	-177.4	0	0	0	0	109.3	V576 W577 F580 A619 F620 V665 V667	V576-V585 HydrophobicContact CB-CG1 4.1Å; V576-V585 HydrophobicContact CG1-CG1 3.64Å; V576-V585 HydrophobicContact CG1-CG2 4.45Å; W577-V585 HydrophobicContact CB-CB 4.11Å; W577-V585 HydrophobicContact CB-CG2 3.97Å; W577-V585 HydrophobicContact CG-CG2 4.39Å; F580-V585 HydrophobicContact CB-CG2 4.49Å; V585-A619 CarbonylContact O-C 3.55Å; V585-A619 WeakPolarHBondContact O-CA 3.08Å; V585-F620 HydrophobicContact CB-CB 4.49Å; V585-F620 PolarHBondContact N-O 3.21Å; V585-F620 PolarHBondContact O-N 3.1Å; V585-V665 WeakPolarHBondContact CA-O 3.45Å; V585-V665 HydrophobicContact CG1-CB 4.46Å; V585-V665 HydrophobicContact CG2-CB 4.04Å; V585-V665 HydrophobicContact CG2-CG2 4.46Å; V585-V667 HydrophobicContact CG1-CG1 3.74Å
586	G	94.2	Very high	92.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	-172.4	-175.8	0	0	0	0	0	114.7	V614 A618 V665 V667	G586-V614 VanDerWaalsContact CA-CG1 3.45Å; G586-A618 VanDerWaalsContact CA-O 3.31Å; G586-A618 WeakPolarHBondContact CA-O 3.37Å; G586-V665 PolarHBondContact N-O 2.9Å; G586-V665 VanDerWaalsContact N-O 3.1Å; G586-V667 VanDerWaalsContact O-CG2 3.27Å; G586-V667 WeakPolarHBondContact O-CG2 3.22Å; G586-V667 PolarHBondContact O-N 3.48Å
587	Y	91.3	Very high	92.3	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.027	19%	0.191	C	C	.	.	S	Bend	trans	-98.1	-57.8	-166.9	-48.7	-94.3	0	0	0	113.7	L565 E569 A573 P589 A618 V667 Q669	L565-Y587 HydrophobicContact CD1-CD2 4.2Å; L565-Y587 HydrophobicContact CD1-CE2 3.58Å; L565-Y587 HydrophobicContact CD2-CD1 4.01Å; L565-Y587 HydrophobicContact CD2-CD2 3.96Å; L565-Y587 HydrophobicContact CD2-CE1 3.76Å; L565-Y587 HydrophobicContact CD2-CE2 3.74Å; L565-Y587 HydrophobicContact CD2-CG 4.1Å; L565-Y587 HydrophobicContact CG-CE2 4.33Å; E569-Y587 VanDerWaalsContact C-OH 3.25Å; E569-Y587 HydrophobicContact CB-CE1 4.18Å; E569-Y587 PolarHBondContact O-OH 3.14Å; E569-Y587 VanDerWaalsContact O-OH 3.1Å; A573-Y587 VanDerWaalsContact CB-OH 3.31Å; A573-Y587 WeakPolarHBondContact CB-OH 3.27Å; Y587-P589 WeakPolarHBondContact O-CD 3.49Å; Y587-A618 HydrophobicContact CD2-CB 3.7Å; Y587-A618 VanDerWaalsContact CD2-O 3.25Å; Y587-A618 WeakPolarHBondContact CD2-O 3.32Å; Y587-A618 HydrophobicContact CE2-CB 4.38Å; Y587-A618 PolarHBondContact N-O 3.46Å; Y587-A618 VanDerWaalsContact N-O 3.14Å; Y587-V667 HydrophobicContact CD1-CG2 3.62Å; Y587-V667 HydrophobicContact CE1-CG2 3.64Å; Y587-V667 HydrophobicContact CG-CG2 4.1Å; Y587-Q669 HydrophobicContact CD1-CB 4.07Å; Y587-Q669 HydrophobicContact CD1-CG 4.18Å
588	P	90.3	Very high	92	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.052	22%	0.222	C	C	.	.			trans	-81.8	111.9	-169.8	-10	29.7	0	0	0	110.1	L615 A618	P588-L615 HydrophobicContact CB-CB 4.16Å; P588-L615 HydrophobicContact CB-CD1 4.09Å; P588-L615 HydrophobicContact CB-CG 4.11Å; P588-L615 HydrophobicContact CG-CB 4.29Å; P588-L615 PolarHBondContact O-N 3.47Å; P588-A618 HydrophobicContact CG-CB 4.39Å
589	P	91.1	Very high	91.8	Very high	13 Å²	13	49.6 Å²	49.6	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	147.4	179.7	37.3	-33.9	0	0	0	110.6	Y587 W607 Y611 K666	Y587-P589 WeakPolarHBondContact O-CD 3.49Å; P589-W607 HydrophobicContact CG-CE3 4.36Å; P589-W607 HydrophobicContact CG-CZ3 4.15Å; P589-Y611 HydrophobicContact CB-CD2 4.43Å; P589-Y611 HydrophobicContact CB-CG 4.07Å; P589-K666 HydrophobicContact CB-CD 4.06Å; P589-K666 HydrophobicContact CG-CD 4.09Å
590	R	92.3	Very high	91.8	Very high	22 Å²	22	46.9 Å²	46.9	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	165.7	170.7	-62.6	-67.9	-176.3	-94.9	5.7	109.1	Y603 S612 I613 L615	R590-Y603 HydrophobicContact CB-CE2 3.87Å; R590-Y603 VanDerWaalsContact CD-OH 3.29Å; R590-Y603 WeakPolarHBondContact CD-OH 3.48Å; R590-Y603 HydrophobicContact CG-CE2 4.21Å; R590-Y603 VanDerWaalsContact CG-OH 3.25Å; R590-Y603 WeakPolarHBondContact CG-OH 3.45Å; R590-Y603 PolarHBondContact NE-OH 3.29Å; R590-S612 PolarHBondContact O-N 3.3Å; R590-I613 HydrophobicContact CB-CB 4Å; R590-I613 HydrophobicContact CB-CG2 4.22Å; R590-I613 PolarHBondContact N-O 2.79Å; R590-I613 PolarHBondContact O-N 2.82Å; R590-I613 VanDerWaalsContact O-O 3.13Å; R590-L615 HydrophobicContact CB-CD2 4.33Å; R590-L615 HydrophobicContact CG-CD1 4.17Å; R590-L615 HydrophobicContact CG-CD2 3.54Å; R590-L615 HydrophobicContact CG-CG 3.89Å
591	S	92.1	Very high	91.8	Very high	8 Å²	8	49.2 Å²	49.2	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.4	179.1	-154.4	0	0	0	0	112.7	T604 S612	S591-T604 PolarHBondContact N-O 2.87Å; S591-T604 VanDerWaalsContact N-O 3.13Å; S591-T604 PolarHBondContact O-N 3.3Å; S591-S612 WeakPolarHBondContact CA-OG 3.49Å; S591-S612 PolarHBondContact OG-OG 3.35Å
592	H	92.8	Very high	91.6	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	155	165.3	75.3	-75.7	0	0	0	110	W601 G602 S612 M710 L712 H714	H592-W601 AromaticContact CD2-CE3 3.7Å; H592-W601 AromaticContact CD2-CZ3 3.76Å; H592-G602 CarbonylContact C-O 3.54Å; H592-G602 WeakPolarHBondContact CA-O 3.28Å; H592-G602 WeakPolarHBondContact CB-O 3.28Å; H592-S612 PolarHBondContact N-OG 3.34Å; H592-S612 VanDerWaalsContact N-OG 3.09Å; H592-S612 VanDerWaalsContact ND1-CB 3.32Å; H592-S612 WeakPolarHBondContact ND1-CB 3.39Å; H592-S612 PolarHBondContact ND1-OG 3.4Å; H592-M710 WeakPolarHBondContact NE2-CG 3.5Å; H592-L712 HydrophobicContact CB-CD1 4.13Å; H592-L712 WeakPolarHBondContact CE1-CB 3.45Å; H592-L712 WeakPolarHBondContact ND1-CB 3.39Å; H592-H714 AromaticContact CE1-CE1 3.09Å; H592-H714 PolarHBondContact CE1-CE1 3.04Å; H592-H714 AromaticContact CE1-ND1 3.59Å; H592-H714 AromaticContact CE1-NE2 3.69Å; H592-H714 AromaticContact ND1-CE1 3.75Å; H592-H714 AromaticContact ND1-NE2 3.91Å; H592-H714 AromaticContact NE2-CE1 3.3Å; H592-H714 PolarHBondContact NE2-CE1 2.86Å; H592-H714 VanDerWaalsContact NE2-CE1 3.3Å; H592-H714 PolarHBondContact O-NE2 3.2Å
593	F	91.4	Very high	91.5	Very high	87 Å²	87	48.6 Å²	48.6	38%	0.382	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.4	175.3	64.1	-86.3	0	0	0	109.8	D595 W601 G602 T604	F593-D595 HydrophobicContact CE2-CB 4.1Å; F593-W601 CarbonylContact O-C 3.38Å; F593-G602 PolarHBondContact N-O 3.48Å; F593-G602 VanDerWaalsContact O-CA 3.31Å; F593-G602 WeakPolarHBondContact O-CA 3.31Å; F593-G602 PolarHBondContact O-N 3.44Å; F593-T604 HydrophobicContact CD1-CG2 4.05Å; F593-T604 HydrophobicContact CE1-CG2 4.43Å
594	W	91.3	Very high	91.2	Very high	105 Å²	105	47.9 Å²	47.9	40%	0.398	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.5	171.3	-177.1	-109.4	0	0	0	109.3	H599 W601	W594-H599 WeakPolarHBondContact CH2-O 3.46Å; W594-H599 VanDerWaalsContact CZ2-C 3.45Å; W594-H599 HydrophobicContact CZ2-CB 4.19Å; W594-W601 HydrophobicContact CB-CE3 4.1Å; W594-W601 HydrophobicContact CB-CH2 4.3Å; W594-W601 HydrophobicContact CB-CZ3 3.75Å; W594-W601 AromaticContact CE3-CD2 3.4Å; W594-W601 HydrophobicContact CE3-CD2 3.4Å; W594-W601 VanDerWaalsContact CE3-CD2 3.4Å; W594-W601 AromaticContact CE3-CE2 3.44Å; W594-W601 VanDerWaalsContact CE3-CE2 3.44Å; W594-W601 AromaticContact CE3-CE3 3.7Å; W594-W601 HydrophobicContact CE3-CE3 3.7Å; W594-W601 AromaticContact CE3-CG 3.84Å; W594-W601 HydrophobicContact CE3-CG 3.84Å; W594-W601 HydrophobicContact CE3-CH2 4.06Å; W594-W601 AromaticContact CE3-CZ2 3.78Å; W594-W601 HydrophobicContact CE3-CZ2 3.78Å; W594-W601 HydrophobicContact CE3-CZ3 4.03Å; W594-W601 AromaticContact CE3-NE1 3.86Å; W594-W601 HydrophobicContact CG-CZ3 4.5Å; W594-W601 AromaticContact CZ3-CD1 3.7Å; W594-W601 AromaticContact CZ3-CD2 3.83Å; W594-W601 HydrophobicContact CZ3-CD2 3.83Å; W594-W601 AromaticContact CZ3-CE2 3.59Å; W594-W601 AromaticContact CZ3-CG 3.9Å; W594-W601 HydrophobicContact CZ3-CG 3.9Å; W594-W601 HydrophobicContact CZ3-CZ2 4.13Å; W594-W601 AromaticContact CZ3-NE1 3.5Å
595	D	88.6	Confident	90.6	Very high	30 Å²	30	49.3 Å²	49.3	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.5	172.8	-171.6	-23.5	0	0	0	108.8	F593 L597 K598 H599 A600	F593-D595 HydrophobicContact CE2-CB 4.1Å; D595-L597 VanDerWaalsContact C-N 3.28Å; D595-L597 PolarHBondContact O-N 3.06Å; D595-L597 WeakPolarHBondContact OD1-CB 3.42Å; D595-L597 PolarHBondContact OD1-N 3.29Å; D595-K598 HydrophobicContact CB-CB 4.24Å; D595-K598 PolarHBondContact O-N 3.17Å; D595-K598 PolarHBondContact OD1-N 3.43Å; D595-K598 WeakPolarHBondContact OD2-CD 3.17Å; D595-K598 WeakPolarHBondContact OD2-CG 3.5Å; D595-H599 WeakPolarHBondContact O-CA 3.39Å; D595-H599 PolarHBondContact O-N 3.49Å; D595-A600 WeakPolarHBondContact CB-O 3.33Å; D595-A600 PolarHBondContact N-O 3.3Å; D595-A600 PolarHBondContact O-N 2.6Å
596	L	89.2	Confident	89.8	Confident	128 Å²	128	56.7 Å²	56.7	67%	0.67	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.1	-179.6	-71.8	168.7	0	0	0	112.9
597	L	90.9	Very high	88.8	Confident	164 Å²	164	64.8 Å²	64.8	86%	0.859	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-36	-178.3	-64.4	172.7	0	0	0	111.3	D595	D595-L597 VanDerWaalsContact C-N 3.28Å; D595-L597 PolarHBondContact O-N 3.06Å; D595-L597 WeakPolarHBondContact OD1-CB 3.42Å; D595-L597 PolarHBondContact OD1-N 3.29Å
598	K	88.1	Confident	88.1	Confident	149 Å²	149	67.8 Å²	67.8	65%	0.648	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-8.2	-179.2	-61.4	-177.3	-172.8	174.1	0	113.4	D595 A600	D595-K598 HydrophobicContact CB-CB 4.24Å; D595-K598 PolarHBondContact O-N 3.17Å; D595-K598 PolarHBondContact OD1-N 3.43Å; D595-K598 WeakPolarHBondContact OD2-CD 3.17Å; D595-K598 WeakPolarHBondContact OD2-CG 3.5Å; K598-A600 HydrophobicContact CB-CB 4.17Å; K598-A600 PolarHBondContact O-N 3.48Å
599	H	89.2	Confident	87.7	Confident	143 Å²	143	74.3 Å²	74.3	66%	0.662	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	43.5	-169.6	-65.9	-78.6	0	0	0	112.2	W594 D595	W594-H599 WeakPolarHBondContact CH2-O 3.46Å; W594-H599 VanDerWaalsContact CZ2-C 3.45Å; W594-H599 HydrophobicContact CZ2-CB 4.19Å; D595-H599 WeakPolarHBondContact O-CA 3.39Å; D595-H599 PolarHBondContact O-N 3.49Å
600	A	90.4	Very high	87.6	Confident	22 Å²	22	78 Å²	78	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.1	-173.3	0	0	0	0	0	112	D595 K598 G602	D595-A600 WeakPolarHBondContact CB-O 3.33Å; D595-A600 PolarHBondContact N-O 3.3Å; D595-A600 PolarHBondContact O-N 2.6Å; K598-A600 HydrophobicContact CB-CB 4.17Å; K598-A600 PolarHBondContact O-N 3.48Å; A600-G602 PolarHBondContact O-N 2.79Å
601	W	91.5	Very high	87.6	Confident	68 Å²	68	77.1 Å²	77.1	26%	0.258	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.3	179.2	-69	108	0	0	0	112	H592 F593 W594 Q697 V700 N701 M710	H592-W601 AromaticContact CD2-CE3 3.7Å; H592-W601 AromaticContact CD2-CZ3 3.76Å; F593-W601 CarbonylContact O-C 3.38Å; W594-W601 HydrophobicContact CB-CE3 4.1Å; W594-W601 HydrophobicContact CB-CH2 4.3Å; W594-W601 HydrophobicContact CB-CZ3 3.75Å; W594-W601 AromaticContact CE3-CD2 3.4Å; W594-W601 HydrophobicContact CE3-CD2 3.4Å; W594-W601 VanDerWaalsContact CE3-CD2 3.4Å; W594-W601 AromaticContact CE3-CE2 3.44Å; W594-W601 VanDerWaalsContact CE3-CE2 3.44Å; W594-W601 AromaticContact CE3-CE3 3.7Å; W594-W601 HydrophobicContact CE3-CE3 3.7Å; W594-W601 AromaticContact CE3-CG 3.84Å; W594-W601 HydrophobicContact CE3-CG 3.84Å; W594-W601 HydrophobicContact CE3-CH2 4.06Å; W594-W601 AromaticContact CE3-CZ2 3.78Å; W594-W601 HydrophobicContact CE3-CZ2 3.78Å; W594-W601 HydrophobicContact CE3-CZ3 4.03Å; W594-W601 AromaticContact CE3-NE1 3.86Å; W594-W601 HydrophobicContact CG-CZ3 4.5Å; W594-W601 AromaticContact CZ3-CD1 3.7Å; W594-W601 AromaticContact CZ3-CD2 3.83Å; W594-W601 HydrophobicContact CZ3-CD2 3.83Å; W594-W601 AromaticContact CZ3-CE2 3.59Å; W594-W601 AromaticContact CZ3-CG 3.9Å; W594-W601 HydrophobicContact CZ3-CG 3.9Å; W594-W601 HydrophobicContact CZ3-CZ2 4.13Å; W594-W601 AromaticContact CZ3-NE1 3.5Å; W601-Q697 VanDerWaalsContact O-CD 3.24Å; W601-Q697 PolarHBondContact O-NE2 3.17Å; W601-V700 HydrophobicContact CB-CG1 3.64Å; W601-N701 PolarHBondContact N-OD1 3.3Å; W601-N701 PolarHBondContact O-ND2 3.2Å; W601-M710 HydrophobicContact CB-CE 3.78Å; W601-M710 HydrophobicContact CD2-CB 4.44Å; W601-M710 HydrophobicContact CD2-CE 3.29Å; W601-M710 HydrophobicContact CD2-CG 4.4Å; W601-M710 HydrophobicContact CE3-CE 3.8Å; W601-M710 HydrophobicContact CE3-CG 4.42Å; W601-M710 HydrophobicContact CG-CE 3.27Å; W601-M710 HydrophobicContact CH2-CB 4.01Å; W601-M710 HydrophobicContact CH2-CG 4.16Å; W601-M710 HydrophobicContact CZ2-CB 3.58Å; W601-M710 HydrophobicContact CZ2-CG 4.14Å; W601-M710 HydrophobicContact CZ3-CG 4.3Å
602	G	89.2	Confident	87.7	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144	170.4	0	0	0	0	0	115.8	H592 F593 A600 Q697	H592-G602 CarbonylContact C-O 3.54Å; H592-G602 WeakPolarHBondContact CA-O 3.28Å; H592-G602 WeakPolarHBondContact CB-O 3.28Å; F593-G602 PolarHBondContact N-O 3.48Å; F593-G602 VanDerWaalsContact O-CA 3.31Å; F593-G602 WeakPolarHBondContact O-CA 3.31Å; F593-G602 PolarHBondContact O-N 3.44Å; A600-G602 PolarHBondContact O-N 2.79Å; G602-Q697 VanDerWaalsContact C-OE1 3.26Å; G602-Q697 VanDerWaalsContact CA-NE2 3.29Å
603	Y	91.4	Very high	87.8	Confident	18 Å²	18	76.4 Å²	76.4	7%	0.071	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.3	162.8	174.5	-95.5	0	0	0	110	R590 I613 I650 F693 R696 V700	R590-Y603 HydrophobicContact CB-CE2 3.87Å; R590-Y603 VanDerWaalsContact CD-OH 3.29Å; R590-Y603 WeakPolarHBondContact CD-OH 3.48Å; R590-Y603 HydrophobicContact CG-CE2 4.21Å; R590-Y603 VanDerWaalsContact CG-OH 3.25Å; R590-Y603 WeakPolarHBondContact CG-OH 3.45Å; R590-Y603 PolarHBondContact NE-OH 3.29Å; Y603-I613 HydrophobicContact CD2-CD1 4.19Å; Y603-I613 HydrophobicContact CE2-CD1 4.2Å; Y603-I650 HydrophobicContact CD2-CD1 4.03Å; Y603-I650 HydrophobicContact CE2-CD1 4.01Å; Y603-I650 HydrophobicContact CE2-CG1 4.35Å; Y603-F693 HydrophobicContact CD1-CD1 4.12Å; Y603-F693 HydrophobicContact CE1-CD1 4.02Å; Y603-F693 HydrophobicContact CE1-CE1 4.06Å; Y603-R696 HydrophobicContact CD1-CB 3.92Å; Y603-R696 HydrophobicContact CE1-CB 4.21Å; Y603-R696 HydrophobicContact CG-CB 4.15Å; Y603-R696 PolarHBondContact OH-NH1 3.28Å; Y603-V700 HydrophobicContact CD2-CG2 4.48Å
604	T	86.6	Confident	88	Confident	23 Å²	23	72.2 Å²	72.2	14%	0.141	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.9	178.2	-167.5	0	0	0	0	113.3	S591 F593 K606	S591-T604 PolarHBondContact N-O 2.87Å; S591-T604 VanDerWaalsContact N-O 3.13Å; S591-T604 PolarHBondContact O-N 3.3Å; F593-T604 HydrophobicContact CD1-CG2 4.05Å; F593-T604 HydrophobicContact CE1-CG2 4.43Å; T604-K606 WeakPolarHBondContact OG1-CB 3.48Å; T604-K606 WeakPolarHBondContact OG1-CG 3.42Å; T604-K606 PolarHBondContact OG1-N 2.84Å; T604-K606 VanDerWaalsContact OG1-N 3.12Å
605	S	84.1	Confident	88.1	Confident	32 Å²	32	68.2 Å²	68.2	22%	0.224	33%	0.331	C	S	.	.			trans	-94.3	1.3	167.3	56.1	0	0	0	0	113.3	W607 F693	S605-W607 PolarHBondContact O-N 2.84Å; S605-F693 WeakPolarHBondContact OG-CE1 3.5Å
606	K	80.4	Confident	88.3	Confident	156 Å²	156	66.8 Å²	66.8	68%	0.678	32%	0.323	S	S	*	.			trans	-59.1	132.6	179.5	-72.1	-178.5	179.1	-179	0	109.8	T604 T608	T604-K606 WeakPolarHBondContact OG1-CB 3.48Å; T604-K606 WeakPolarHBondContact OG1-CG 3.42Å; T604-K606 PolarHBondContact OG1-N 2.84Å; T604-K606 VanDerWaalsContact OG1-N 3.12Å; K606-T608 HydrophobicContact CB-CG2 4.12Å; K606-T608 PolarHBondContact O-N 2.83Å
607	W	71.8	Confident	88.4	Confident	170 Å²	170	61 Å²	61	64%	0.644	29%	0.294	S	S	*	.			trans	-73.5	79.2	177	-61.9	89.1	0	0	0	110	P589 S605	P589-W607 HydrophobicContact CG-CE3 4.36Å; P589-W607 HydrophobicContact CG-CZ3 4.15Å; S605-W607 PolarHBondContact O-N 2.84Å
608	T	78.5	Confident	88.5	Confident	69 Å²	69	53.3 Å²	53.3	42%	0.423	25%	0.254	S	S	.	.			trans	-95.9	165.8	172.6	77.7	0	0	0	0	110.5	K606 E610	K606-T608 HydrophobicContact CB-CG2 4.12Å; K606-T608 PolarHBondContact O-N 2.83Å; T608-E610 PolarHBondContact O-N 2.68Å; T608-E610 PolarHBondContact OG1-N 3.33Å; T608-E610 PolarHBondContact OG1-O 3.19Å
609	N	81.3	Confident	88.9	Confident	146 Å²	146	46.2 Å²	46.2	78%	0.781	22%	0.223	S	C	*	.	S	Bend	trans	-70.3	-14.6	174.1	-69.9	-26.1	0	0	0	112.2	Q716	N609-Q716 WeakPolarHBondContact O-CA 3.19Å
610	E	88.8	Confident	89.3	Confident	89 Å²	89	39.4 Å²	39.4	42%	0.416	19%	0.192	S	C	.	.			trans	-103.3	139.1	177	-69.1	-176.1	172.7	0	0	111.2	T608 S715 Q716	T608-E610 PolarHBondContact O-N 2.68Å; T608-E610 PolarHBondContact OG1-N 3.33Å; T608-E610 PolarHBondContact OG1-O 3.19Å; E610-S715 WeakPolarHBondContact CA-O 3.41Å; E610-Q716 HydrophobicContact CG-CG 3.61Å; E610-Q716 PolarHBondContact OE1-NE2 2.91Å
611	Y	92.4	Very high	89.6	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.02	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-144.3	154.1	175.1	69.5	-82.2	0	0	0	109.4	P589 V614 P664 K666 H714 S715 L717	P589-Y611 HydrophobicContact CB-CD2 4.43Å; P589-Y611 HydrophobicContact CB-CG 4.07Å; Y611-V614 HydrophobicContact CD2-CG2 4.19Å; Y611-V614 HydrophobicContact CE2-CG2 4.13Å; Y611-P664 HydrophobicContact CD2-CG 4.26Å; Y611-P664 HydrophobicContact CE2-CG 4.04Å; Y611-P664 WeakPolarHBondContact CE2-O 3.25Å; Y611-P664 PolarHBondContact OH-O 3.02Å; Y611-K666 HydrophobicContact CD1-CB 4.45Å; Y611-K666 HydrophobicContact CD1-CD 4.35Å; Y611-K666 HydrophobicContact CE1-CB 3.86Å; Y611-K666 HydrophobicContact CE1-CD 4.38Å; Y611-K666 HydrophobicContact CE2-CB 4.01Å; Y611-K666 PolarHBondContact OH-N 3.03Å; Y611-H714 CarbonylContact O-C 3.44Å; Y611-H714 WeakPolarHBondContact O-CA 2.97Å; Y611-S715 WeakPolarHBondContact CD1-O 3.49Å; Y611-S715 VanDerWaalsContact CE1-O 3.32Å; Y611-S715 WeakPolarHBondContact CE1-O 3.39Å; Y611-S715 PolarHBondContact N-O 3.3Å; Y611-S715 PolarHBondContact O-N 3.32Å; Y611-S715 PolarHBondContact OH-OG 2Å; Y611-L717 WeakPolarHBondContact CE1-O 3.32Å; Y611-L717 PolarHBondContact OH-O 3.43Å
612	S	93.7	Very high	89.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-135.5	-6.8	179.5	44.5	0	0	0	0	112.4	R590 S591 H592 P664 V713	R590-S612 PolarHBondContact O-N 3.3Å; S591-S612 WeakPolarHBondContact CA-OG 3.49Å; S591-S612 PolarHBondContact OG-OG 3.35Å; H592-S612 PolarHBondContact N-OG 3.34Å; H592-S612 VanDerWaalsContact N-OG 3.09Å; H592-S612 VanDerWaalsContact ND1-CB 3.32Å; H592-S612 WeakPolarHBondContact ND1-CB 3.39Å; H592-S612 PolarHBondContact ND1-OG 3.4Å; S612-P664 WeakPolarHBondContact O-CD 3.38Å; S612-V713 WeakPolarHBondContact CA-O 3.14Å; S612-V713 WeakPolarHBondContact CB-O 3.44Å
613	I	95.4	Very high	90.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.2	-178.4	-58.4	172.1	0	0	0	107.5	R590 Y603 L615 I650 N653 L712	R590-I613 HydrophobicContact CB-CB 4Å; R590-I613 HydrophobicContact CB-CG2 4.22Å; R590-I613 PolarHBondContact N-O 2.79Å; R590-I613 PolarHBondContact O-N 2.82Å; R590-I613 VanDerWaalsContact O-O 3.13Å; Y603-I613 HydrophobicContact CD2-CD1 4.19Å; Y603-I613 HydrophobicContact CE2-CD1 4.2Å; I613-L615 HydrophobicContact CG2-CD2 4.19Å; I613-I650 HydrophobicContact CD1-CG1 4.49Å; I613-N653 WeakPolarHBondContact CA-OD1 3.24Å; I613-N653 HydrophobicContact CG2-CB 4.17Å; I613-L712 HydrophobicContact CD1-CD1 3.66Å; I613-L712 HydrophobicContact CG1-CD1 3.62Å; I613-L712 HydrophobicContact CG1-CD2 4.21Å
614	V	94.9	Very high	90.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.4	166.5	169.6	0	0	0	0	108.1	I584 G586 Y611 T616 A619 N653 P664	I584-V614 HydrophobicContact CG2-CB 4.22Å; I584-V614 HydrophobicContact CG2-CG1 4.2Å; G586-V614 VanDerWaalsContact CA-CG1 3.45Å; Y611-V614 HydrophobicContact CD2-CG2 4.19Å; Y611-V614 HydrophobicContact CE2-CG2 4.13Å; V614-T616 PolarHBondContact O-N 3.23Å; V614-A619 HydrophobicContact CG1-CB 4.14Å; V614-N653 PolarHBondContact N-OD1 3.06Å; V614-N653 PolarHBondContact O-ND2 3.01Å; V614-N653 PolarHBondContact O-OD1 3.38Å; V614-P664 HydrophobicContact CB-CB 4.1Å; V614-P664 HydrophobicContact CB-CG 4.47Å; V614-P664 HydrophobicContact CG2-CB 3.72Å; V614-P664 HydrophobicContact CG2-CG 3.97Å
615	L	93.4	Very high	90.7	Very high	21 Å²	21	37 Å²	37	11%	0.11	18%	0.175	C	C	.	.			trans	-67	129.3	-176.3	-56.1	-169.9	0	0	0	110.9	P588 R590 I613 G617 A618 D649	P588-L615 HydrophobicContact CB-CB 4.16Å; P588-L615 HydrophobicContact CB-CD1 4.09Å; P588-L615 HydrophobicContact CB-CG 4.11Å; P588-L615 HydrophobicContact CG-CB 4.29Å; P588-L615 PolarHBondContact O-N 3.47Å; R590-L615 HydrophobicContact CB-CD2 4.33Å; R590-L615 HydrophobicContact CG-CD1 4.17Å; R590-L615 HydrophobicContact CG-CD2 3.54Å; R590-L615 HydrophobicContact CG-CG 3.89Å; I613-L615 HydrophobicContact CG2-CD2 4.19Å; L615-G617 PolarHBondContact O-N 3.14Å; L615-A618 PolarHBondContact O-N 2.9Å; L615-D649 HydrophobicContact CD2-CB 4.42Å; L615-D649 WeakPolarHBondContact CD2-OD2 3.3Å
616	T	93.3	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.3	-179.2	49.9	0	0	0	0	113.4	R544 F545 S558 V614 A618 D649 M652	R544-T616 PolarHBondContact NH2-O 3.34Å; F545-T616 HydrophobicContact CE1-CG2 4.26Å; F545-T616 HydrophobicContact CZ-CG2 3.99Å; S558-T616 CarbonylContact C-O 3.55Å; S558-T616 WeakPolarHBondContact CB-O 3.33Å; S558-T616 VanDerWaalsContact O-O 3.12Å; S558-T616 PolarHBondContact OG-O 3.14Å; V614-T616 PolarHBondContact O-N 3.23Å; T616-A618 PolarHBondContact O-N 3.33Å; T616-D649 HydrophobicContact CG2-CB 4.49Å; T616-D649 WeakPolarHBondContact OG1-CA 3.45Å; T616-D649 WeakPolarHBondContact OG1-CB 3.3Å; T616-M652 HydrophobicContact CG2-CB 4.05Å; T616-M652 HydrophobicContact CG2-CG 3.98Å
617	G	91	Very high	91.9	Very high	5 Å²	5	29.4 Å²	29.4	5%	0.052	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.3	169	0	0	0	0	0	114.3	S558 L559 D560 T563 L615	S558-G617 CarbonylContact O-C 2.99Å; L559-G617 CarbonylContact C-O 3.56Å; L559-G617 WeakPolarHBondContact CA-O 3.41Å; D560-G617 PolarHBondContact N-O 2.9Å; D560-G617 VanDerWaalsContact OD1-CA 3.27Å; D560-G617 WeakPolarHBondContact OD1-CA 3.45Å; D560-G617 WeakPolarHBondContact OD2-CA 3.46Å; T563-G617 PolarHBondContact OG1-O 3.4Å; L615-G617 PolarHBondContact O-N 3.14Å
618	A	93.6	Very high	92.9	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.025	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	76.5	166.3	0	0	0	0	0	109.8	S558 L559 T563 G586 Y587 P588 L615 T616	S558-A618 WeakPolarHBondContact O-CA 3.2Å; L559-A618 HydrophobicContact CD2-CB 4.35Å; T563-A618 HydrophobicContact CG2-CB 3.99Å; G586-A618 VanDerWaalsContact CA-O 3.31Å; G586-A618 WeakPolarHBondContact CA-O 3.37Å; Y587-A618 HydrophobicContact CD2-CB 3.7Å; Y587-A618 VanDerWaalsContact CD2-O 3.25Å; Y587-A618 WeakPolarHBondContact CD2-O 3.32Å; Y587-A618 HydrophobicContact CE2-CB 4.38Å; Y587-A618 PolarHBondContact N-O 3.46Å; Y587-A618 VanDerWaalsContact N-O 3.14Å; P588-A618 HydrophobicContact CG-CB 4.39Å; L615-A618 PolarHBondContact O-N 2.9Å; T616-A618 PolarHBondContact O-N 3.33Å
619	A	96.3	Very high	93.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.9	-178.3	0	0	0	0	0	114	S558 I584 V585 V614	S558-A619 PolarHBondContact N-O 2.96Å; S558-A619 PolarHBondContact O-N 3.31Å; S558-A619 VanDerWaalsContact O-N 3.1Å; I584-A619 HydrophobicContact CG2-CB 3.72Å; V585-A619 CarbonylContact O-C 3.55Å; V585-A619 WeakPolarHBondContact O-CA 3.08Å; V614-A619 HydrophobicContact CG1-CB 4.14Å
620	F	97.3	Very high	94.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.1	166	-75.1	-86.6	0	0	0	111	F476 V556 L557 V570 A573 F574 W577 I584 V585	F476-F620 HydrophobicContact CB-CE1 3.93Å; F476-F620 AromaticContact CD1-CE1 3.81Å; F476-F620 HydrophobicContact CD1-CE1 3.81Å; F476-F620 HydrophobicContact CD1-CZ 4.16Å; F476-F620 AromaticContact CD2-CE1 3.88Å; F476-F620 HydrophobicContact CD2-CE1 3.88Å; F476-F620 HydrophobicContact CD2-CZ 4.38Å; F476-F620 HydrophobicContact CE1-CE1 4.26Å; F476-F620 HydrophobicContact CE1-CZ 4.15Å; F476-F620 HydrophobicContact CE2-CE1 4.35Å; F476-F620 HydrophobicContact CE2-CZ 4.41Å; F476-F620 AromaticContact CG-CE1 3.61Å; F476-F620 HydrophobicContact CG-CE1 3.61Å; F476-F620 HydrophobicContact CG-CZ 4.28Å; F476-F620 HydrophobicContact CZ-CZ 4.3Å; V556-F620 VanDerWaalsContact O-CA 3.32Å; V556-F620 WeakPolarHBondContact O-CA 3.4Å; L557-F620 HydrophobicContact CB-CD1 3.92Å; L557-F620 HydrophobicContact CB-CE1 3.56Å; L557-F620 HydrophobicContact CB-CZ 3.88Å; L557-F620 HydrophobicContact CD1-CD1 4.37Å; L557-F620 HydrophobicContact CD1-CD2 3.84Å; L557-F620 HydrophobicContact CD1-CE1 4.21Å; L557-F620 HydrophobicContact CD1-CE2 3.63Å; L557-F620 HydrophobicContact CD1-CG 4.2Å; L557-F620 HydrophobicContact CD1-CZ 3.84Å; L557-F620 HydrophobicContact CD2-CE1 4.27Å; L557-F620 HydrophobicContact CD2-CE2 4.22Å; L557-F620 HydrophobicContact CD2-CZ 3.74Å; L557-F620 HydrophobicContact CG-CE1 4.2Å; L557-F620 HydrophobicContact CG-CE2 4.31Å; L557-F620 HydrophobicContact CG-CZ 4Å; V570-F620 HydrophobicContact CG1-CZ 4.22Å; A573-F620 HydrophobicContact CB-CD2 3.88Å; A573-F620 HydrophobicContact CB-CE2 3.7Å; F574-F620 HydrophobicContact CB-CE1 3.99Å; F574-F620 HydrophobicContact CB-CE2 4.16Å; F574-F620 HydrophobicContact CB-CZ 3.68Å; F574-F620 HydrophobicContact CD2-CD1 4.14Å; F574-F620 AromaticContact CD2-CE1 3.73Å; F574-F620 HydrophobicContact CD2-CE1 3.73Å; F574-F620 HydrophobicContact CD2-CZ 4.31Å; F574-F620 HydrophobicContact CG-CE1 4.28Å; F574-F620 HydrophobicContact CG-CZ 4.43Å; W577-F620 HydrophobicContact CB-CB 3.83Å; W577-F620 HydrophobicContact CB-CG 4.28Å; W577-F620 HydrophobicContact CG-CB 3.69Å; W577-F620 HydrophobicContact CG-CG 4.43Å; I584-F620 WeakPolarHBondContact CA-O 3.39Å; V585-F620 HydrophobicContact CB-CB 4.49Å; V585-F620 PolarHBondContact N-O 3.21Å; V585-F620 PolarHBondContact O-N 3.1Å
621	Y	96.8	Very high	94.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	167.8	169.7	58.9	-97	0	0	0	110.5	F545 V556 S558 N626	F545-Y621 HydrophobicContact CE1-CE1 4.12Å; V556-Y621 HydrophobicContact CB-CD2 4.31Å; V556-Y621 HydrophobicContact CB-CE2 3.85Å; V556-Y621 HydrophobicContact CG1-CE2 4.08Å; V556-Y621 HydrophobicContact CG2-CE2 4.39Å; V556-Y621 PolarHBondContact N-O 2.91Å; V556-Y621 PolarHBondContact O-N 3.48Å; S558-Y621 VanDerWaalsContact CB-CE1 3.47Å; Y621-N626 VanDerWaalsContact CE2-OD1 3.27Å; Y621-N626 WeakPolarHBondContact CE2-OD1 3.47Å; Y621-N626 PolarHBondContact OH-OD1 3.31Å
622	H	96.1	Very high	94.2	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.2	179.9	-166.8	-89.5	0	0	0	112.4	H460 P462 Y465 E554 W577 Y624 Y625	H460-H622 PolarHBondContact O-CE1 2.81Å; P462-H622 HydrophobicContact CB-CB 4.15Å; P462-H622 HydrophobicContact CG-CB 3.99Å; Y465-H622 PolarHBondContact OH-NE2 2.99Å; E554-H622 CarbonylContact O-C 3.55Å; E554-H622 WeakPolarHBondContact O-CA 3.35Å; W577-H622 HydrophobicContact CZ2-CB 4.13Å; W577-H622 AromaticContact CZ2-CD2 3.93Å; H622-Y624 WeakPolarHBondContact ND1-CB 3.41Å; H622-Y624 PolarHBondContact ND1-N 3.33Å; H622-Y624 VanDerWaalsContact ND1-N 3.14Å; H622-Y624 PolarHBondContact O-N 3Å; H622-Y625 HydrophobicContact CB-CD2 3.98Å; H622-Y625 HydrophobicContact CB-CE2 4Å; H622-Y625 WeakPolarHBondContact O-CB 3.43Å; H622-Y625 WeakPolarHBondContact O-CD2 3.25Å; H622-Y625 PolarHBondContact O-N 3.1Å
623	R	94.8	Very high	94	Very high	80 Å²	80	13.5 Å²	13.5	30%	0.302	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-31.7	-179.1	-174.4	-177.9	73.3	-178.5	-6	113.5	I551 E552 E554 V556 Y625 N626	I551-R623 HydrophobicContact CG2-CG 4Å; I551-R623 VanDerWaalsContact O-CD 3.23Å; I551-R623 WeakPolarHBondContact O-CD 3.44Å; I551-R623 PolarHBondContact O-NH1 3.47Å; E552-R623 PolarHBondContact O-NH1 3.21Å; E552-R623 VanDerWaalsContact O-NH1 3.14Å; E554-R623 PolarHBondContact O-N 2.76Å; V556-R623 HydrophobicContact CG2-CB 4.04Å; V556-R623 HydrophobicContact CG2-CG 4.47Å; R623-Y625 PolarHBondContact O-N 2.88Å; R623-Y625 VanDerWaalsContact O-N 3.12Å; R623-N626 WeakPolarHBondContact O-CB 3.4Å; R623-N626 PolarHBondContact O-N 3.47Å
624	Y	95.1	Very high	93.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-53.3	-31.6	176.2	-178.3	-119.5	0	0	0	113.2	L449 V450 L451 F454 F461 F463 H622 N626 F627 L628	L449-Y624 PolarHBondContact O-OH 3.36Å; V450-Y624 WeakPolarHBondContact CA-OH 3.34Å; L451-Y624 PolarHBondContact N-OH 3.1Å; F454-Y624 HydrophobicContact CB-CD2 4.15Å; F454-Y624 HydrophobicContact CB-CE2 3.9Å; F454-Y624 AromaticContact CD1-CD2 3.45Å; F454-Y624 HydrophobicContact CD1-CD2 3.45Å; F454-Y624 VanDerWaalsContact CD1-CD2 3.45Å; F454-Y624 AromaticContact CD1-CE2 3.89Å; F454-Y624 HydrophobicContact CD1-CE2 3.89Å; F454-Y624 HydrophobicContact CD1-CG 4.46Å; F454-Y624 HydrophobicContact CD2-CD2 4.04Å; F454-Y624 AromaticContact CE1-CD2 3.75Å; F454-Y624 HydrophobicContact CE1-CD2 3.75Å; F454-Y624 HydrophobicContact CE1-CG 4.39Å; F454-Y624 HydrophobicContact CE2-CD2 4.31Å; F454-Y624 AromaticContact CG-CD2 3.6Å; F454-Y624 HydrophobicContact CG-CD2 3.6Å; F454-Y624 AromaticContact CG-CE2 3.88Å; F454-Y624 HydrophobicContact CG-CE2 3.88Å; F454-Y624 HydrophobicContact CZ-CD2 4.17Å; F461-Y624 HydrophobicContact CD1-CD1 4.07Å; F461-Y624 AromaticContact CD1-CD2 3.93Å; F461-Y624 HydrophobicContact CD1-CD2 3.93Å; F461-Y624 AromaticContact CD1-CE1 3.82Å; F461-Y624 HydrophobicContact CD1-CE1 3.82Å; F461-Y624 AromaticContact CD1-CE2 3.7Å; F461-Y624 HydrophobicContact CD1-CE2 3.7Å; F461-Y624 HydrophobicContact CD1-CG 4.13Å; F461-Y624 AromaticContact CD1-CZ 3.64Å; F461-Y624 AromaticContact CE1-CD2 3.92Å; F461-Y624 HydrophobicContact CE1-CD2 3.92Å; F461-Y624 HydrophobicContact CE1-CE1 4.19Å; F461-Y624 AromaticContact CE1-CE2 3.36Å; F461-Y624 HydrophobicContact CE1-CE2 3.36Å; F461-Y624 AromaticContact CE1-CZ 3.51Å; F463-Y624 AromaticContact CE2-CD1 3.89Å; F463-Y624 HydrophobicContact CE2-CD1 3.89Å; F463-Y624 AromaticContact CE2-CE1 3.7Å; F463-Y624 HydrophobicContact CE2-CE1 3.7Å; F463-Y624 HydrophobicContact CZ-CD1 4.12Å; F463-Y624 HydrophobicContact CZ-CE1 4.12Å; H622-Y624 WeakPolarHBondContact ND1-CB 3.41Å; H622-Y624 PolarHBondContact ND1-N 3.33Å; H622-Y624 VanDerWaalsContact ND1-N 3.14Å; H622-Y624 PolarHBondContact O-N 3Å; Y624-N626 VanDerWaalsContact C-N 3.29Å; Y624-N626 PolarHBondContact O-N 3.43Å; Y624-F627 HydrophobicContact CD2-CB 4.38Å; Y624-F627 HydrophobicContact CE2-CD1 4.26Å; Y624-F627 WeakPolarHBondContact O-CB 3.14Å; Y624-F627 PolarHBondContact O-N 2.8Å; Y624-F627 VanDerWaalsContact O-N 3.09Å; Y624-L628 HydrophobicContact CD1-CD1 3.88Å; Y624-L628 HydrophobicContact CD1-CG 4.22Å; Y624-L628 HydrophobicContact CE1-CD1 3.33Å; Y624-L628 HydrophobicContact CE1-CD2 4.25Å; Y624-L628 HydrophobicContact CE1-CG 3.6Å; Y624-L628 HydrophobicContact CE2-CG 4.3Å; Y624-L628 PolarHBondContact O-N 2.97Å
625	Y	95.6	Very high	93.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.6	-25.5	178.1	-63	-55.8	0	0	0	113.6	F463 D582 H622 R623 F627 L628 F629 V656 A659 T660	F463-Y625 HydrophobicContact CE1-CE1 4.11Å; F463-Y625 AromaticContact CE1-CZ 3.99Å; F463-Y625 WeakPolarHBondContact CE1-OH 3.25Å; F463-Y625 AromaticContact CZ-CE1 3.86Å; F463-Y625 HydrophobicContact CZ-CE1 3.86Å; D582-Y625 PolarHBondContact O-OH 2.82Å; H622-Y625 HydrophobicContact CB-CD2 3.98Å; H622-Y625 HydrophobicContact CB-CE2 4Å; H622-Y625 WeakPolarHBondContact O-CB 3.43Å; H622-Y625 WeakPolarHBondContact O-CD2 3.25Å; H622-Y625 PolarHBondContact O-N 3.1Å; R623-Y625 PolarHBondContact O-N 2.88Å; R623-Y625 VanDerWaalsContact O-N 3.12Å; Y625-F627 VanDerWaalsContact C-N 3.32Å; Y625-L628 HydrophobicContact CD1-CD1 4.03Å; Y625-L628 HydrophobicContact CE1-CD1 4.35Å; Y625-F629 WeakPolarHBondContact O-CB 3.33Å; Y625-F629 PolarHBondContact O-N 2.87Å; Y625-V656 HydrophobicContact CD1-CG2 3.71Å; Y625-V656 HydrophobicContact CD2-CG2 3.74Å; Y625-V656 HydrophobicContact CE1-CB 4.35Å; Y625-V656 HydrophobicContact CE1-CG1 4.24Å; Y625-V656 HydrophobicContact CE1-CG2 3.87Å; Y625-V656 HydrophobicContact CE2-CG1 3.99Å; Y625-V656 HydrophobicContact CE2-CG2 3.88Å; Y625-V656 HydrophobicContact CG-CG2 3.65Å; Y625-A659 HydrophobicContact CE1-CB 4.44Å; Y625-T660 VanDerWaalsContact OH-CG2 3.29Å; Y625-T660 WeakPolarHBondContact OH-CG2 3.11Å
626	N	95	Very high	93.2	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-38	170	-69.6	-10	0	0	0	111.3	F545 Y621 R623 Y624 S630	F545-N626 CarbonylContact O-C 3.6Å; F545-N626 VanDerWaalsContact O-CA 3.26Å; F545-N626 WeakPolarHBondContact O-CA 3.47Å; F545-N626 VanDerWaalsContact O-CB 3.22Å; F545-N626 WeakPolarHBondContact O-CB 3.3Å; Y621-N626 VanDerWaalsContact CE2-OD1 3.27Å; Y621-N626 WeakPolarHBondContact CE2-OD1 3.47Å; Y621-N626 PolarHBondContact OH-OD1 3.31Å; R623-N626 WeakPolarHBondContact O-CB 3.4Å; R623-N626 PolarHBondContact O-N 3.47Å; Y624-N626 VanDerWaalsContact C-N 3.29Å; Y624-N626 PolarHBondContact O-N 3.43Å; N626-S630 WeakPolarHBondContact O-CB 3.33Å; N626-S630 PolarHBondContact O-N 3.31Å; N626-S630 VanDerWaalsContact O-N 3.14Å; N626-S630 PolarHBondContact O-OG 2.6Å; N626-S630 VanDerWaalsContact O-OG 3.08Å
627	F	94.1	Very high	93.1	Very high	26 Å²	26	24.4 Å²	24.4	11%	0.114	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-48.1	176.1	-167.9	-92.6	0	0	0	111.1	L451 E453 F454 Y624 Y625 F629 S630 H631	L451-F627 HydrophobicContact CB-CD1 4.2Å; L451-F627 HydrophobicContact CB-CE1 3.75Å; L451-F627 HydrophobicContact CD1-CD1 3.92Å; L451-F627 HydrophobicContact CD1-CE1 3.68Å; L451-F627 HydrophobicContact CG-CE1 4.37Å; E453-F627 HydrophobicContact CB-CE1 4.24Å; E453-F627 HydrophobicContact CB-CZ 3.74Å; F454-F627 HydrophobicContact CB-CD1 3.79Å; F454-F627 HydrophobicContact CB-CD2 4.44Å; F454-F627 HydrophobicContact CB-CE1 3.9Å; F454-F627 HydrophobicContact CB-CG 4.08Å; F454-F627 HydrophobicContact CB-CZ 4.28Å; F454-F627 HydrophobicContact CD2-CB 3.94Å; F454-F627 HydrophobicContact CD2-CD1 4.39Å; F454-F627 HydrophobicContact CD2-CD2 4.02Å; F454-F627 AromaticContact CD2-CG 3.85Å; F454-F627 HydrophobicContact CD2-CG 3.85Å; F454-F627 HydrophobicContact CE2-CB 4.48Å; F454-F627 HydrophobicContact CG-CD1 4.45Å; F454-F627 HydrophobicContact CG-CG 4.35Å; Y624-F627 HydrophobicContact CD2-CB 4.38Å; Y624-F627 HydrophobicContact CE2-CD1 4.26Å; Y624-F627 WeakPolarHBondContact O-CB 3.14Å; Y624-F627 PolarHBondContact O-N 2.8Å; Y624-F627 VanDerWaalsContact O-N 3.09Å; Y625-F627 VanDerWaalsContact C-N 3.32Å; F627-F629 PolarHBondContact O-N 3.17Å; F627-S630 PolarHBondContact O-N 2.88Å; F627-H631 HydrophobicContact CD1-CB 4.47Å; F627-H631 AromaticContact CD2-CD2 3.49Å; F627-H631 VanDerWaalsContact CD2-CD2 3.49Å; F627-H631 WeakPolarHBondContact CD2-CD2 3.33Å; F627-H631 AromaticContact CD2-NE2 3.86Å; F627-H631 HydrophobicContact CE1-CB 4.11Å; F627-H631 AromaticContact CE1-CD2 3.86Å; F627-H631 AromaticContact CE2-CD2 3.29Å; F627-H631 WeakPolarHBondContact CE2-CD2 3.4Å; F627-H631 AromaticContact CE2-NE2 3.45Å; F627-H631 WeakPolarHBondContact CE2-NE2 3.5Å; F627-H631 AromaticContact CG-CD2 3.86Å; F627-H631 HydrophobicContact CZ-CB 4.35Å; F627-H631 AromaticContact CZ-CD2 3.48Å; F627-H631 VanDerWaalsContact CZ-CD2 3.48Å; F627-H631 WeakPolarHBondContact CZ-CD2 3.45Å; F627-H631 AromaticContact CZ-CG 3.86Å; F627-H631 AromaticContact CZ-NE2 3.92Å; F627-H631 WeakPolarHBondContact O-CB 3.42Å; F627-H631 PolarHBondContact O-CD2 2.92Å; F627-H631 PolarHBondContact O-N 3.08Å
628	L	93.9	Very high	93.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-44.2	174.1	-79.9	178	0	0	0	112.2	L451 Y624 Y625 S630 H631 Y632 L633 L655	L451-L628 HydrophobicContact CD1-CD2 3.85Å; L451-L628 HydrophobicContact CG-CD2 3.93Å; Y624-L628 HydrophobicContact CD1-CD1 3.88Å; Y624-L628 HydrophobicContact CD1-CG 4.22Å; Y624-L628 HydrophobicContact CE1-CD1 3.33Å; Y624-L628 HydrophobicContact CE1-CD2 4.25Å; Y624-L628 HydrophobicContact CE1-CG 3.6Å; Y624-L628 HydrophobicContact CE2-CG 4.3Å; Y624-L628 PolarHBondContact O-N 2.97Å; Y625-L628 HydrophobicContact CD1-CD1 4.03Å; Y625-L628 HydrophobicContact CE1-CD1 4.35Å; L628-S630 PolarHBondContact O-N 2.86Å; L628-H631 PolarHBondContact O-N 2.98Å; L628-Y632 HydrophobicContact CD2-CG 4.31Å; L628-Y632 WeakPolarHBondContact O-CA 3.49Å; L628-Y632 WeakPolarHBondContact O-CB 3.4Å; L628-Y632 PolarHBondContact O-N 2.94Å; L628-L633 PolarHBondContact O-N 2.94Å; L628-L655 HydrophobicContact CB-CD1 4.33Å; L628-L655 HydrophobicContact CB-CD2 3.91Å; L628-L655 HydrophobicContact CB-CG 4.45Å
629	F	94.3	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.3	-35.7	178.3	-170.3	-83.4	0	0	0	111.7	T542 F545 Y625 F627 L633 R638 L651 M652 L655	T542-F629 HydrophobicContact CG2-CE1 4.06Å; T542-F629 HydrophobicContact CG2-CZ 4.01Å; F545-F629 HydrophobicContact CB-CB 4.31Å; F545-F629 HydrophobicContact CB-CD1 3.71Å; F545-F629 HydrophobicContact CB-CD2 4.29Å; F545-F629 HydrophobicContact CB-CE1 4.08Å; F545-F629 HydrophobicContact CB-CG 3.84Å; F545-F629 HydrophobicContact CD2-CD2 4.27Å; F545-F629 HydrophobicContact CD2-CE1 4.27Å; F545-F629 AromaticContact CD2-CE2 3.91Å; F545-F629 HydrophobicContact CD2-CE2 3.91Å; F545-F629 AromaticContact CD2-CZ 3.92Å; F545-F629 HydrophobicContact CD2-CZ 3.92Å; F545-F629 HydrophobicContact CG-CD2 4.49Å; Y625-F629 WeakPolarHBondContact O-CB 3.33Å; Y625-F629 PolarHBondContact O-N 2.87Å; F627-F629 PolarHBondContact O-N 3.17Å; F629-L633 HydrophobicContact CB-CD1 4.48Å; F629-L633 HydrophobicContact CD2-CD1 3.61Å; F629-L633 HydrophobicContact CE2-CD1 3.91Å; F629-L633 HydrophobicContact CG-CD1 4.02Å; F629-L633 WeakPolarHBondContact O-CB 3.46Å; F629-R638 HydrophobicContact CE1-CG 3.9Å; F629-R638 HydrophobicContact CZ-CG 4.35Å; F629-R638 WeakPolarHBondContact O-CD 3.48Å; F629-L651 HydrophobicContact CE2-CB 4.33Å; F629-L651 HydrophobicContact CE2-CD2 3.76Å; F629-L651 HydrophobicContact CE2-CG 3.88Å; F629-L651 HydrophobicContact CZ-CD2 3.91Å; F629-M652 HydrophobicContact CB-CE 4.1Å; F629-M652 HydrophobicContact CD2-CE 3.81Å; F629-M652 HydrophobicContact CD2-SD 4.42Å; F629-M652 HydrophobicContact CG-CE 4.17Å; F629-L655 HydrophobicContact CB-CD2 3.98Å; F629-L655 HydrophobicContact CD2-CD2 4.34Å
630	S	91.5	Very high	92.7	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-88.6	-33.6	-176.4	-61.8	0	0	0	0	114.7	P547 N626 F627 L628 R638	P547-S630 WeakPolarHBondContact CD-OG 3.35Å; N626-S630 WeakPolarHBondContact O-CB 3.33Å; N626-S630 PolarHBondContact O-N 3.31Å; N626-S630 VanDerWaalsContact O-N 3.14Å; N626-S630 PolarHBondContact O-OG 2.6Å; N626-S630 VanDerWaalsContact O-OG 3.08Å; F627-S630 PolarHBondContact O-N 2.88Å; L628-S630 PolarHBondContact O-N 2.86Å; S630-R638 PolarHBondContact O-NH1 2.98Å; S630-R638 PolarHBondContact O-NH2 2.97Å
631	H	90.2	Very high	92.4	Very high	75 Å²	75	32.4 Å²	32.4	35%	0.347	16%	0.161	S	C	.	.	H	α-helix	trans	-111.8	-18.7	-171.1	-65.3	-79.7	0	0	0	114.7	R137 L451 F627 L628	R137-H631 WeakPolarHBondContact CD-O 3.12Å; R137-H631 PolarHBondContact NH1-O 3.09Å; L451-H631 HydrophobicContact CD1-CB 3.95Å; F627-H631 HydrophobicContact CD1-CB 4.47Å; F627-H631 AromaticContact CD2-CD2 3.49Å; F627-H631 VanDerWaalsContact CD2-CD2 3.49Å; F627-H631 WeakPolarHBondContact CD2-CD2 3.33Å; F627-H631 AromaticContact CD2-NE2 3.86Å; F627-H631 HydrophobicContact CE1-CB 4.11Å; F627-H631 AromaticContact CE1-CD2 3.86Å; F627-H631 AromaticContact CE2-CD2 3.29Å; F627-H631 WeakPolarHBondContact CE2-CD2 3.4Å; F627-H631 AromaticContact CE2-NE2 3.45Å; F627-H631 WeakPolarHBondContact CE2-NE2 3.5Å; F627-H631 AromaticContact CG-CD2 3.86Å; F627-H631 HydrophobicContact CZ-CB 4.35Å; F627-H631 AromaticContact CZ-CD2 3.48Å; F627-H631 VanDerWaalsContact CZ-CD2 3.48Å; F627-H631 WeakPolarHBondContact CZ-CD2 3.45Å; F627-H631 AromaticContact CZ-CG 3.86Å; F627-H631 AromaticContact CZ-NE2 3.92Å; F627-H631 WeakPolarHBondContact O-CB 3.42Å; F627-H631 PolarHBondContact O-CD2 2.92Å; F627-H631 PolarHBondContact O-N 3.08Å; L628-H631 PolarHBondContact O-N 2.98Å
632	Y	91.1	Very high	92	Very high	57 Å²	57	33.6 Å²	33.6	22%	0.224	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-44.8	176.1	-178.9	-98.7	0	0	0	111.8	L449 L628 L655 W706	L449-Y632 HydrophobicContact CD2-CD1 4.05Å; L449-Y632 HydrophobicContact CD2-CD2 4.02Å; L449-Y632 HydrophobicContact CD2-CE1 3.63Å; L449-Y632 HydrophobicContact CD2-CE2 3.59Å; L449-Y632 HydrophobicContact CD2-CG 4.23Å; L628-Y632 HydrophobicContact CD2-CG 4.31Å; L628-Y632 WeakPolarHBondContact O-CA 3.49Å; L628-Y632 WeakPolarHBondContact O-CB 3.4Å; L628-Y632 PolarHBondContact O-N 2.94Å; Y632-L655 HydrophobicContact CD1-CD1 4.01Å; Y632-W706 HydrophobicContact CE1-CH2 4.03Å
633	L	91.4	Very high	91.7	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	-70.8	138	-179.5	-63.8	176.7	0	0	0	111.7	L628 F629 R638 L651 L655 W706 F707	L628-L633 PolarHBondContact O-N 2.94Å; F629-L633 HydrophobicContact CB-CD1 4.48Å; F629-L633 HydrophobicContact CD2-CD1 3.61Å; F629-L633 HydrophobicContact CE2-CD1 3.91Å; F629-L633 HydrophobicContact CG-CD1 4.02Å; F629-L633 WeakPolarHBondContact O-CB 3.46Å; L633-R638 PolarHBondContact O-NH2 2.98Å; L633-L651 HydrophobicContact CD1-CD1 4.08Å; L633-L651 HydrophobicContact CD1-CD2 3.97Å; L633-L651 HydrophobicContact CD1-CG 3.87Å; L633-L651 HydrophobicContact CD2-CD1 4.49Å; L633-L655 HydrophobicContact CD1-CD2 4.22Å; L633-L655 HydrophobicContact CD2-CD1 4.13Å; L633-L655 HydrophobicContact CG-CD1 4.3Å; L633-W706 HydrophobicContact CD2-CH2 4.1Å; L633-W706 HydrophobicContact CD2-CZ3 3.89Å; L633-F707 HydrophobicContact CD2-CZ 4.28Å
634	P	88.8	Confident	91.3	Very high	25 Å²	25	42.1 Å²	42.1	16%	0.162	20%	0.204	C	C	.	.			trans	-64.3	152.5	178.5	30.9	-38.9	0	0	0	110.2	S636 L637 W706	P634-S636 PolarHBondContact O-N 3.29Å; P634-L637 HydrophobicContact CG-CB 4.14Å; P634-L637 HydrophobicContact CG-CD1 3.87Å; P634-L637 HydrophobicContact CG-CG 3.76Å; P634-L637 PolarHBondContact O-N 3.12Å; P634-W706 HydrophobicContact CG-CD2 4.46Å; P634-W706 HydrophobicContact CG-CZ2 3.74Å
635	Q	88.1	Confident	90.9	Very high	142 Å²	142	45.9 Å²	45.9	66%	0.664	23%	0.23	S	C	*	.	H	α-helix	trans	-61.2	-34.9	178.5	-173.5	171.6	-2.1	0	0	111.8	L637 R638 T639	Q635-L637 PolarHBondContact O-N 3.08Å; Q635-R638 PolarHBondContact O-N 3.41Å; Q635-T639 HydrophobicContact CG-CG2 4.09Å; Q635-T639 WeakPolarHBondContact O-CG2 3.21Å; Q635-T639 PolarHBondContact O-N 2.68Å; Q635-T639 PolarHBondContact O-OG1 2.97Å; Q635-T639 VanDerWaalsContact O-OG1 3.1Å
636	S	89.9	Confident	90.5	Very high	74 Å²	74	46.1 Å²	46.1	52%	0.517	23%	0.231	S	C	.	.	H	α-helix	trans	-55.9	-45.3	179.2	54.3	0	0	0	0	113.4	P634 T639 L640	P634-S636 PolarHBondContact O-N 3.29Å; S636-T639 VanDerWaalsContact CA-OG1 3.32Å; S636-T639 WeakPolarHBondContact CA-OG1 3.48Å; S636-T639 PolarHBondContact O-N 2.93Å; S636-T639 PolarHBondContact O-OG1 3.43Å; S636-L640 WeakPolarHBondContact O-CB 3.46Å; S636-L640 PolarHBondContact O-N 3.31Å
637	L	90.3	Very high	90.4	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-40	177.9	-71.1	-174.4	0	0	0	112.1	P634 Q635 L640 V641 L651 T702 F703 W706	P634-L637 HydrophobicContact CG-CB 4.14Å; P634-L637 HydrophobicContact CG-CD1 3.87Å; P634-L637 HydrophobicContact CG-CG 3.76Å; P634-L637 PolarHBondContact O-N 3.12Å; Q635-L637 PolarHBondContact O-N 3.08Å; L637-L640 WeakPolarHBondContact O-CB 3.31Å; L637-L640 PolarHBondContact O-N 3.27Å; L637-V641 WeakPolarHBondContact O-CG2 3.46Å; L637-V641 PolarHBondContact O-N 2.9Å; L637-V641 VanDerWaalsContact O-N 3.14Å; L637-L651 HydrophobicContact CB-CD2 4.49Å; L637-L651 HydrophobicContact CD1-CD1 4.41Å; L637-T702 HydrophobicContact CD2-CG2 4.38Å; L637-F703 HydrophobicContact CD2-CD1 3.98Å; L637-F703 HydrophobicContact CD2-CE1 4.17Å; L637-W706 HydrophobicContact CD1-CB 4.15Å; L637-W706 HydrophobicContact CD1-CD2 3.53Å; L637-W706 HydrophobicContact CD1-CE3 3.68Å; L637-W706 HydrophobicContact CD1-CG 3.7Å; L637-W706 HydrophobicContact CD1-CZ3 4.34Å; L637-W706 HydrophobicContact CD2-CB 4.46Å; L637-W706 HydrophobicContact CG-CG 4.36Å
638	R	91	Very high	90.3	Very high	56 Å²	56	45.8 Å²	45.8	21%	0.211	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-40.6	176.4	-69.1	-176.4	-75.3	171.4	-9	111.7	F629 S630 L633 Q635 L640 V641 D642	F629-R638 HydrophobicContact CE1-CG 3.9Å; F629-R638 HydrophobicContact CZ-CG 4.35Å; F629-R638 WeakPolarHBondContact O-CD 3.48Å; S630-R638 PolarHBondContact O-NH1 2.98Å; S630-R638 PolarHBondContact O-NH2 2.97Å; L633-R638 PolarHBondContact O-NH2 2.98Å; Q635-R638 PolarHBondContact O-N 3.41Å; R638-L640 VanDerWaalsContact C-N 3.31Å; R638-L640 PolarHBondContact O-N 3.33Å; R638-V641 PolarHBondContact O-N 3.27Å; R638-D642 PolarHBondContact O-N 2.88Å
639	T	90.7	Very high	90.3	Very high	67 Å²	67	46 Å²	46	41%	0.411	23%	0.231	S	C	.	.	H	α-helix	trans	-67.2	-32.4	175.6	52.1	0	0	0	0	112.7	Q635 S636 R643	Q635-T639 HydrophobicContact CG-CG2 4.09Å; Q635-T639 WeakPolarHBondContact O-CG2 3.21Å; Q635-T639 PolarHBondContact O-N 2.68Å; Q635-T639 PolarHBondContact O-OG1 2.97Å; Q635-T639 VanDerWaalsContact O-OG1 3.1Å; S636-T639 VanDerWaalsContact CA-OG1 3.32Å; S636-T639 WeakPolarHBondContact CA-OG1 3.48Å; S636-T639 PolarHBondContact O-N 2.93Å; S636-T639 PolarHBondContact O-OG1 3.43Å; T639-R643 VanDerWaalsContact O-CB 3.28Å; T639-R643 WeakPolarHBondContact O-CB 3.43Å; T639-R643 PolarHBondContact O-N 3.07Å
640	L	91	Very high	90.4	Very high	54 Å²	54	46 Å²	46	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-48.9	173.4	177.2	64.6	0	0	0	110.5	S636 L637 R638 D642 R643 T644 T702 F703	S636-L640 WeakPolarHBondContact O-CB 3.46Å; S636-L640 PolarHBondContact O-N 3.31Å; L637-L640 WeakPolarHBondContact O-CB 3.31Å; L637-L640 PolarHBondContact O-N 3.27Å; R638-L640 VanDerWaalsContact C-N 3.31Å; R638-L640 PolarHBondContact O-N 3.33Å; L640-D642 PolarHBondContact O-N 3.47Å; L640-R643 PolarHBondContact O-N 2.82Å; L640-T644 HydrophobicContact CD1-CG2 4.19Å; L640-T644 WeakPolarHBondContact O-CG2 3.44Å; L640-T644 PolarHBondContact O-N 2.91Å; L640-T644 PolarHBondContact O-OG1 3.39Å; L640-T644 VanDerWaalsContact O-OG1 3.06Å; L640-T702 HydrophobicContact CD2-CG2 3.77Å; L640-F703 HydrophobicContact CD2-CE1 4.36Å
641	V	90.9	Very high	90.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-41.3	178	170.7	0	0	0	0	112.3	T541 T542 L637 R638 R643 T644 S645 N646 E648 L651 F703	T541-V641 PolarHBondContact OG1-O 3.46Å; T542-V641 HydrophobicContact CG2-CB 3.89Å; T542-V641 HydrophobicContact CG2-CG1 3.51Å; L637-V641 WeakPolarHBondContact O-CG2 3.46Å; L637-V641 PolarHBondContact O-N 2.9Å; L637-V641 VanDerWaalsContact O-N 3.14Å; R638-V641 PolarHBondContact O-N 3.27Å; V641-R643 VanDerWaalsContact C-N 3.34Å; V641-T644 PolarHBondContact O-OG1 2.91Å; V641-S645 WeakPolarHBondContact O-CA 3.19Å; V641-S645 PolarHBondContact O-N 3.01Å; V641-N646 WeakPolarHBondContact CG1-O 3.26Å; V641-E648 HydrophobicContact CG1-CB 3.47Å; V641-E648 VanDerWaalsContact CG1-CB 3.47Å; V641-L651 HydrophobicContact CG2-CD2 3.78Å; V641-F703 HydrophobicContact CG2-CE1 4.42Å; V641-F703 HydrophobicContact CG2-CZ 3.86Å
642	D	89.2	Confident	90.9	Very high	25 Å²	25	41.9 Å²	41.9	13%	0.134	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-42.3	174.8	-77.1	-18.1	0	0	0	111.1	K540 T542 R638 L640 S645	K540-D642 VanDerWaalsContact CD-OD2 3.31Å; K540-D642 WeakPolarHBondContact CD-OD2 3.45Å; K540-D642 IonicContact NZ-OD2 3.98Å; K540-D642 PolarHBondContact NZ-OD2 2.78Å; T542-D642 VanDerWaalsContact CB-OD1 3.32Å; T542-D642 WeakPolarHBondContact CB-OD1 3.24Å; T542-D642 WeakPolarHBondContact CG2-OD1 3.34Å; T542-D642 PolarHBondContact N-OD1 3.03Å; T542-D642 PolarHBondContact OG1-OD1 3.18Å; T542-D642 PolarHBondContact OG1-OD2 2.76Å; R638-D642 PolarHBondContact O-N 2.88Å; L640-D642 PolarHBondContact O-N 3.47Å; D642-S645 PolarHBondContact O-N 3.2Å; D642-S645 PolarHBondContact O-OG 3.35Å
643	R	89	Confident	91.1	Very high	222 Å²	222	39.2 Å²	39.2	84%	0.838	20%	0.201	S	C	*	.	H	α-helix	trans	-68.2	-41.3	-179.2	-178.2	-179.4	176.4	-174.5	-1.2	112.4	T639 L640 V641 S645	T639-R643 VanDerWaalsContact O-CB 3.28Å; T639-R643 WeakPolarHBondContact O-CB 3.43Å; T639-R643 PolarHBondContact O-N 3.07Å; L640-R643 PolarHBondContact O-N 2.82Å; V641-R643 VanDerWaalsContact C-N 3.34Å; R643-S645 VanDerWaalsContact C-N 3.28Å
644	T	86.1	Confident	91.3	Very high	39 Å²	39	39 Å²	39	24%	0.239	20%	0.2	C	C	.	.	H	α-helix	trans	-78	-17.3	176.6	57	0	0	0	0	112.2	L640 V641 N646	L640-T644 HydrophobicContact CD1-CG2 4.19Å; L640-T644 WeakPolarHBondContact O-CG2 3.44Å; L640-T644 PolarHBondContact O-N 2.91Å; L640-T644 PolarHBondContact O-OG1 3.39Å; L640-T644 VanDerWaalsContact O-OG1 3.06Å; V641-T644 PolarHBondContact O-OG1 2.91Å; T644-N646 PolarHBondContact O-N 3.3Å; T644-N646 PolarHBondContact OG1-O 3.45Å
645	S	86.7	Confident	91.7	Very high	79 Å²	79	37.9 Å²	37.9	55%	0.552	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	37.4	-171.8	-67.5	0	0	0	0	112.2	V641 D642 R643	V641-S645 WeakPolarHBondContact O-CA 3.19Å; V641-S645 PolarHBondContact O-N 3.01Å; D642-S645 PolarHBondContact O-N 3.2Å; D642-S645 PolarHBondContact O-OG 3.35Å; R643-S645 VanDerWaalsContact C-N 3.28Å
646	N	88.1	Confident	92	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.027	16%	0.162	C	C	.	.			trans	-157	169.1	-174.1	-160.3	-8.4	0	0	0	109.7	V641 T644 E648 H692 R696	V641-N646 WeakPolarHBondContact CG1-O 3.26Å; T644-N646 PolarHBondContact O-N 3.3Å; T644-N646 PolarHBondContact OG1-O 3.45Å; N646-E648 VanDerWaalsContact C-N 3.25Å; N646-E648 PolarHBondContact O-N 3.43Å; N646-H692 PolarHBondContact ND2-CD2 3.22Å; N646-H692 PolarHBondContact ND2-NE2 2.67Å; N646-H692 PolarHBondContact ND2-O 2.73Å; N646-H692 PolarHBondContact OD1-NE2 2.76Å; N646-R696 PolarHBondContact OD1-NE 3.07Å; N646-R696 PolarHBondContact OD1-NH2 3.2Å
647	C	92	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.			trans	69.5	8.2	173.3	-42.5	0	0	0	0	116.3	D649 I650 L651 C699 F703	C647-D649 VanDerWaalsContact C-N 3.26Å; C647-D649 PolarHBondContact O-N 3.38Å; C647-I650 HydrophobicContact CB-CD1 4.34Å; C647-I650 PolarHBondContact O-N 2.98Å; C647-L651 WeakPolarHBondContact O-CB 3.38Å; C647-L651 PolarHBondContact O-N 3.45Å; C647-C699 HydrophobicContact CB-CB 3.43Å; C647-C699 VanDerWaalsContact CB-CB 3.43Å; C647-C699 WeakPolarHBondContact CB-SG 3.42Å; C647-C699 WeakPolarHBondContact SG-CB 3.47Å; C647-C699 CovalentContact SG-SG 2.03Å; C647-C699 PolarHBondContact SG-SG 3.02Å; C647-F703 HydrophobicContact CB-CE2 4.05Å; C647-F703 HydrophobicContact CB-CZ 4.11Å
648	E	92.8	Very high	92.3	Very high	19 Å²	19	27.9 Å²	27.9	9%	0.089	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-36	176.3	79.8	-67	166.1	0	0	111.5	R544 F545 V641 N646 M652	R544-E648 IonicContact NH1-OE1 2.59Å; F545-E648 HydrophobicContact CD2-CB 4.45Å; F545-E648 HydrophobicContact CE2-CB 3.78Å; F545-E648 HydrophobicContact CE2-CG 3.64Å; F545-E648 HydrophobicContact CZ-CG 4.28Å; V641-E648 HydrophobicContact CG1-CB 3.47Å; V641-E648 VanDerWaalsContact CG1-CB 3.47Å; N646-E648 VanDerWaalsContact C-N 3.25Å; N646-E648 PolarHBondContact O-N 3.43Å; E648-M652 WeakPolarHBondContact O-CB 3.49Å; E648-M652 PolarHBondContact O-N 2.68Å
649	D	93.9	Very high	92.3	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-45.8	173.3	54.4	-0.1	0	0	0	112.2	L615 T616 C647 M652 N653 R696	L615-D649 HydrophobicContact CD2-CB 4.42Å; L615-D649 WeakPolarHBondContact CD2-OD2 3.3Å; T616-D649 HydrophobicContact CG2-CB 4.49Å; T616-D649 WeakPolarHBondContact OG1-CA 3.45Å; T616-D649 WeakPolarHBondContact OG1-CB 3.3Å; C647-D649 VanDerWaalsContact C-N 3.26Å; C647-D649 PolarHBondContact O-N 3.38Å; D649-M652 PolarHBondContact O-N 2.72Å; D649-N653 PolarHBondContact O-N 3.49Å; D649-N653 PolarHBondContact O-ND2 3.12Å; D649-R696 IonicContact OD1-CZ 2.68Å; D649-R696 IonicContact OD1-NH1 3.03Å; D649-R696 PolarHBondContact OD1-NH1 2.93Å; D649-R696 IonicContact OD1-NH2 3.76Å; D649-R696 IonicContact OD2-CZ 3.93Å; D649-R696 VanDerWaalsContact OD2-CZ 3.24Å; D649-R696 IonicContact OD2-NH1 2.97Å; D649-R696 PolarHBondContact OD2-NH1 2.75Å; D649-R696 IonicContact OD2-NH2 2.6Å; D649-R696 PolarHBondContact OD2-NH2 3.45Å
650	I	95.3	Very high	92.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-48.1	176.4	-61.7	171.5	0	0	0	109.3	Y603 I613 C647 M652 N653 F654 R696 V700 F703	Y603-I650 HydrophobicContact CD2-CD1 4.03Å; Y603-I650 HydrophobicContact CE2-CD1 4.01Å; Y603-I650 HydrophobicContact CE2-CG1 4.35Å; I613-I650 HydrophobicContact CD1-CG1 4.49Å; C647-I650 HydrophobicContact CB-CD1 4.34Å; C647-I650 PolarHBondContact O-N 2.98Å; I650-M652 VanDerWaalsContact C-N 3.31Å; I650-M652 PolarHBondContact O-N 2.82Å; I650-N653 PolarHBondContact O-N 3.2Å; I650-N653 VanDerWaalsContact O-N 3.14Å; I650-F654 HydrophobicContact CG2-CD2 3.75Å; I650-F654 HydrophobicContact CG2-CE2 3.65Å; I650-F654 VanDerWaalsContact O-CD2 3.32Å; I650-F654 WeakPolarHBondContact O-CD2 3.43Å; I650-F654 PolarHBondContact O-N 2.93Å; I650-R696 HydrophobicContact CD1-CB 3.88Å; I650-R696 HydrophobicContact CD1-CG 3.87Å; I650-V700 HydrophobicContact CD1-CG2 4.21Å; I650-V700 HydrophobicContact CG2-CG2 3.87Å; I650-F703 HydrophobicContact CB-CE2 4.27Å; I650-F703 HydrophobicContact CG2-CD2 3.92Å; I650-F703 HydrophobicContact CG2-CE2 4.06Å
651	L	95.6	Very high	92.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-41	179.9	-175.9	55.9	0	0	0	111.9	F629 L633 L637 V641 C647 F654 L655 F703	F629-L651 HydrophobicContact CE2-CB 4.33Å; F629-L651 HydrophobicContact CE2-CD2 3.76Å; F629-L651 HydrophobicContact CE2-CG 3.88Å; F629-L651 HydrophobicContact CZ-CD2 3.91Å; L633-L651 HydrophobicContact CD1-CD1 4.08Å; L633-L651 HydrophobicContact CD1-CD2 3.97Å; L633-L651 HydrophobicContact CD1-CG 3.87Å; L633-L651 HydrophobicContact CD2-CD1 4.49Å; L637-L651 HydrophobicContact CB-CD2 4.49Å; L637-L651 HydrophobicContact CD1-CD1 4.41Å; V641-L651 HydrophobicContact CG2-CD2 3.78Å; C647-L651 WeakPolarHBondContact O-CB 3.38Å; C647-L651 PolarHBondContact O-N 3.45Å; L651-F654 WeakPolarHBondContact O-CB 3.46Å; L651-F654 PolarHBondContact O-N 3.49Å; L651-L655 WeakPolarHBondContact O-CB 3.43Å; L651-L655 PolarHBondContact O-N 3.21Å; L651-F703 HydrophobicContact CB-CD2 4.27Å; L651-F703 HydrophobicContact CB-CE2 3.68Å; L651-F703 HydrophobicContact CB-CZ 3.87Å; L651-F703 HydrophobicContact CD1-CD1 4.03Å; L651-F703 HydrophobicContact CD1-CD2 4.19Å; L651-F703 HydrophobicContact CD1-CE1 4.09Å; L651-F703 HydrophobicContact CD1-CE2 4.24Å; L651-F703 HydrophobicContact CD1-CG 4.1Å; L651-F703 HydrophobicContact CD1-CZ 4.2Å; L651-F703 HydrophobicContact CD2-CE1 4.48Å; L651-F703 HydrophobicContact CD2-CZ 4.36Å; L651-F703 HydrophobicContact CG-CE2 4.47Å; L651-F703 HydrophobicContact CG-CZ 4.37Å
652	M	96.1	Very high	92.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-42.1	174.9	-175.1	59.5	81.8	0	0	111.9	F545 I584 T616 F629 E648 D649 I650 F654 L655 V656	F545-M652 HydrophobicContact CB-CE 3.79Å; F545-M652 HydrophobicContact CD1-CE 3.24Å; F545-M652 HydrophobicContact CD2-CE 4.01Å; F545-M652 HydrophobicContact CE1-CE 3.71Å; F545-M652 HydrophobicContact CE1-CG 4.42Å; F545-M652 HydrophobicContact CE2-CB 4.37Å; F545-M652 HydrophobicContact CE2-CE 4.38Å; F545-M652 HydrophobicContact CG-CE 3.41Å; F545-M652 VanDerWaalsContact CG-CE 3.41Å; F545-M652 HydrophobicContact CZ-CB 4.21Å; F545-M652 HydrophobicContact CZ-CE 4.25Å; F545-M652 HydrophobicContact CZ-CG 4.47Å; I584-M652 HydrophobicContact CD1-CG 4.23Å; T616-M652 HydrophobicContact CG2-CB 4.05Å; T616-M652 HydrophobicContact CG2-CG 3.98Å; F629-M652 HydrophobicContact CB-CE 4.1Å; F629-M652 HydrophobicContact CD2-CE 3.81Å; F629-M652 HydrophobicContact CD2-SD 4.42Å; F629-M652 HydrophobicContact CG-CE 4.17Å; E648-M652 WeakPolarHBondContact O-CB 3.49Å; E648-M652 PolarHBondContact O-N 2.68Å; D649-M652 PolarHBondContact O-N 2.72Å; I650-M652 VanDerWaalsContact C-N 3.31Å; I650-M652 PolarHBondContact O-N 2.82Å; M652-F654 PolarHBondContact O-N 2.66Å; M652-L655 PolarHBondContact O-N 2.91Å; M652-L655 HydrophobicContact SD-CD2 4.25Å; M652-V656 HydrophobicContact CG-CG2 4.49Å; M652-V656 WeakPolarHBondContact O-CG2 3.35Å; M652-V656 PolarHBondContact O-N 3.01Å; M652-V656 HydrophobicContact SD-CG2 4.18Å
653	N	96.8	Very high	92.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-39.3	175.7	-81.7	-98.5	0	0	0	112	I584 I613 V614 D649 I650 S657 L712	I584-N653 HydrophobicContact CD1-CB 4.49Å; I613-N653 WeakPolarHBondContact CA-OD1 3.24Å; I613-N653 HydrophobicContact CG2-CB 4.17Å; V614-N653 PolarHBondContact N-OD1 3.06Å; V614-N653 PolarHBondContact O-ND2 3.01Å; V614-N653 PolarHBondContact O-OD1 3.38Å; D649-N653 PolarHBondContact O-N 3.49Å; D649-N653 PolarHBondContact O-ND2 3.12Å; I650-N653 PolarHBondContact O-N 3.2Å; I650-N653 VanDerWaalsContact O-N 3.14Å; N653-S657 WeakPolarHBondContact O-CB 3.24Å; N653-S657 PolarHBondContact O-N 3.41Å; N653-S657 PolarHBondContact O-OG 3.14Å; N653-L712 HydrophobicContact CB-CD2 4Å
654	F	95.9	Very high	92.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.7	-47.2	173.1	-94.1	-113.3	0	0	0	111.2	I650 L651 M652 A658 V700 F703 A704 F707 M710 P711 L712	I650-F654 HydrophobicContact CG2-CD2 3.75Å; I650-F654 HydrophobicContact CG2-CE2 3.65Å; I650-F654 VanDerWaalsContact O-CD2 3.32Å; I650-F654 WeakPolarHBondContact O-CD2 3.43Å; I650-F654 PolarHBondContact O-N 2.93Å; L651-F654 WeakPolarHBondContact O-CB 3.46Å; L651-F654 PolarHBondContact O-N 3.49Å; M652-F654 PolarHBondContact O-N 2.66Å; F654-A658 WeakPolarHBondContact O-CB 3.19Å; F654-A658 PolarHBondContact O-N 3.35Å; F654-V700 HydrophobicContact CE2-CG1 4.45Å; F654-V700 HydrophobicContact CZ-CG1 4.09Å; F654-F703 HydrophobicContact CD1-CB 3.72Å; F654-F703 HydrophobicContact CD2-CD2 4.46Å; F654-F703 HydrophobicContact CE1-CB 3.7Å; F654-F703 HydrophobicContact CG-CB 4.19Å; F654-F703 HydrophobicContact CZ-CB 4.12Å; F654-A704 HydrophobicContact CE1-CB 4.15Å; F654-F707 HydrophobicContact CB-CD2 4.49Å; F654-F707 HydrophobicContact CB-CE2 3.86Å; F654-F707 HydrophobicContact CB-CZ 4.38Å; F654-F707 AromaticContact CD1-CD2 3.78Å; F654-F707 HydrophobicContact CD1-CD2 3.78Å; F654-F707 AromaticContact CD1-CE2 3.99Å; F654-F707 HydrophobicContact CD1-CE2 3.99Å; F654-F707 HydrophobicContact CG-CE2 4.42Å; F654-M710 HydrophobicContact CE1-CE 4.42Å; F654-M710 HydrophobicContact CE1-SD 3.99Å; F654-M710 HydrophobicContact CE2-SD 4.39Å; F654-M710 HydrophobicContact CZ-CE 3.88Å; F654-M710 HydrophobicContact CZ-SD 3.62Å; F654-P711 HydrophobicContact CB-CG 4.15Å; F654-P711 HydrophobicContact CD1-CG 3.25Å; F654-P711 VanDerWaalsContact CE1-CD 3.48Å; F654-P711 HydrophobicContact CE1-CG 3.8Å; F654-P711 HydrophobicContact CG-CG 3.83Å; F654-L712 HydrophobicContact CD2-CD1 3.87Å; F654-L712 HydrophobicContact CD2-CD2 3.76Å; F654-L712 HydrophobicContact CD2-CG 3.74Å; F654-L712 HydrophobicContact CE2-CD1 3.37Å; F654-L712 HydrophobicContact CE2-CD2 4.15Å; F654-L712 HydrophobicContact CE2-CG 3.63Å; F654-L712 HydrophobicContact CG-CD2 4.36Å; F654-L712 HydrophobicContact CG-CG 4.4Å; F654-L712 HydrophobicContact CZ-CD1 4.06Å; F654-L712 HydrophobicContact CZ-CG 4.16Å
655	L	95.5	Very high	92.9	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-61.6	-49.6	179.1	179.3	66.2	0	0	0	112.1	L628 F629 Y632 L633 L651 M652 A658 A659	L628-L655 HydrophobicContact CB-CD1 4.33Å; L628-L655 HydrophobicContact CB-CD2 3.91Å; L628-L655 HydrophobicContact CB-CG 4.45Å; F629-L655 HydrophobicContact CB-CD2 3.98Å; F629-L655 HydrophobicContact CD2-CD2 4.34Å; Y632-L655 HydrophobicContact CD1-CD1 4.01Å; L633-L655 HydrophobicContact CD1-CD2 4.22Å; L633-L655 HydrophobicContact CD2-CD1 4.13Å; L633-L655 HydrophobicContact CG-CD1 4.3Å; L651-L655 WeakPolarHBondContact O-CB 3.43Å; L651-L655 PolarHBondContact O-N 3.21Å; M652-L655 PolarHBondContact O-N 2.91Å; M652-L655 HydrophobicContact SD-CD2 4.25Å; L655-A658 PolarHBondContact O-N 2.6Å; L655-A659 PolarHBondContact O-N 3.21Å
656	V	95.8	Very high	93.2	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.024	6%	0.056	C	C	.	.	H	α-helix	trans	-66.9	-41	-179.4	177.1	0	0	0	0	111.5	I584 Y625 M652 A659 T660	I584-V656 HydrophobicContact CD1-CB 4.02Å; I584-V656 HydrophobicContact CD1-CG1 4.45Å; I584-V656 HydrophobicContact CD1-CG2 3.83Å; I584-V656 HydrophobicContact CG1-CB 4.13Å; I584-V656 HydrophobicContact CG1-CG1 4.03Å; I584-V656 HydrophobicContact CG1-CG2 3.92Å; Y625-V656 HydrophobicContact CD1-CG2 3.71Å; Y625-V656 HydrophobicContact CD2-CG2 3.74Å; Y625-V656 HydrophobicContact CE1-CB 4.35Å; Y625-V656 HydrophobicContact CE1-CG1 4.24Å; Y625-V656 HydrophobicContact CE1-CG2 3.87Å; Y625-V656 HydrophobicContact CE2-CG1 3.99Å; Y625-V656 HydrophobicContact CE2-CG2 3.88Å; Y625-V656 HydrophobicContact CG-CG2 3.65Å; M652-V656 HydrophobicContact CG-CG2 4.49Å; M652-V656 WeakPolarHBondContact O-CG2 3.35Å; M652-V656 PolarHBondContact O-N 3.01Å; M652-V656 HydrophobicContact SD-CG2 4.18Å; V656-A659 PolarHBondContact O-N 3Å; V656-T660 HydrophobicContact CG1-CG2 4.28Å; V656-T660 WeakPolarHBondContact O-CB 3.19Å; V656-T660 WeakPolarHBondContact O-CG2 3.44Å; V656-T660 PolarHBondContact O-N 3.36Å; V656-T660 PolarHBondContact O-OG1 2.81Å
657	S	94	Very high	93.3	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-68	-38.3	178.1	-54.3	0	0	0	0	111.5	N653 A659 H661 P711	N653-S657 WeakPolarHBondContact O-CB 3.24Å; N653-S657 PolarHBondContact O-N 3.41Å; N653-S657 PolarHBondContact O-OG 3.14Å; S657-A659 VanDerWaalsContact C-N 3.32Å; S657-A659 PolarHBondContact O-N 3.21Å; S657-H661 WeakPolarHBondContact O-CA 3.21Å; S657-H661 PolarHBondContact O-N 3.41Å; S657-P711 WeakPolarHBondContact CB-O 3.45Å
658	A	91.4	Very high	92.8	Very high	7 Å²	7	10.9 Å²	10.9	6%	0.058	6%	0.057	C	C	.	.	H	α-helix	trans	-66	-33.7	175.4	0	0	0	0	0	112.4	F654 L655 F707 P711	F654-A658 WeakPolarHBondContact O-CB 3.19Å; F654-A658 PolarHBondContact O-N 3.35Å; L655-A658 PolarHBondContact O-N 2.6Å; A658-F707 HydrophobicContact CB-CD1 4.03Å; A658-F707 HydrophobicContact CB-CE1 3.62Å; A658-F707 HydrophobicContact CB-CZ 4.34Å; A658-P711 HydrophobicContact CB-CB 3.76Å; A658-P711 HydrophobicContact CB-CG 4.43Å
659	A	92.1	Very high	91.9	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-76.7	-46.3	176.1	0	0	0	0	0	112.6	P445 L449 F463 Y625 L655 V656 S657	P445-A659 WeakPolarHBondContact CB-O 3.04Å; L449-A659 HydrophobicContact CD1-CB 4.1Å; F463-A659 HydrophobicContact CE1-CB 4.22Å; F463-A659 HydrophobicContact CZ-CB 4.16Å; Y625-A659 HydrophobicContact CE1-CB 4.44Å; L655-A659 PolarHBondContact O-N 3.21Å; V656-A659 PolarHBondContact O-N 3Å; S657-A659 VanDerWaalsContact C-N 3.32Å; S657-A659 PolarHBondContact O-N 3.21Å
660	T	89.9	Confident	90.5	Very high	8 Å²	8	17.6 Å²	17.6	5%	0.049	8%	0.083	C	C	.	.	H	α-helix	trans	-87.3	-23.5	-173	56.8	0	0	0	0	113.9	F463 D582 Y625 V656 L662	F463-T660 HydrophobicContact CD1-CG2 4Å; F463-T660 HydrophobicContact CE1-CG2 3.68Å; D582-T660 HydrophobicContact CB-CG2 4.11Å; D582-T660 VanDerWaalsContact O-CG2 3.27Å; D582-T660 WeakPolarHBondContact O-CG2 3.45Å; Y625-T660 VanDerWaalsContact OH-CG2 3.29Å; Y625-T660 WeakPolarHBondContact OH-CG2 3.11Å; V656-T660 HydrophobicContact CG1-CG2 4.28Å; V656-T660 WeakPolarHBondContact O-CB 3.19Å; V656-T660 WeakPolarHBondContact O-CG2 3.44Å; V656-T660 PolarHBondContact O-N 3.36Å; V656-T660 PolarHBondContact O-OG1 2.81Å; T660-L662 PolarHBondContact O-N 2.83Å; T660-L662 PolarHBondContact OG1-N 2.95Å; T660-L662 VanDerWaalsContact OG1-N 3.14Å; T660-L662 PolarHBondContact OG1-O 2.94Å
661	H	87.4	Confident	88.7	Confident	75 Å²	75	23.9 Å²	23.9	35%	0.347	11%	0.11	S	C	.	.			trans	54.5	26.7	-161.8	-58.9	-81	0	0	0	113.2	S657	S657-H661 WeakPolarHBondContact O-CA 3.21Å; S657-H661 PolarHBondContact O-N 3.41Å
662	L	89.5	Confident	86.7	Confident	39 Å²	39	31.3 Å²	31.3	20%	0.204	15%	0.145	C	C	.	.			trans	-122.7	149.5	-177.7	-64.3	174.9	0	0	0	111.6	D582 R583 T660	D582-L662 WeakPolarHBondContact OD2-CD1 3.38Å; R583-L662 HydrophobicContact CG-CB 4.22Å; R583-L662 HydrophobicContact CG-CD1 4.39Å; T660-L662 PolarHBondContact O-N 2.83Å; T660-L662 PolarHBondContact OG1-N 2.95Å; T660-L662 VanDerWaalsContact OG1-N 3.14Å; T660-L662 PolarHBondContact OG1-O 2.94Å
663	P	92.8	Very high	84.4	Confident	21 Å²	21	34.2 Å²	34.2	14%	0.136	16%	0.156	C	C	.	.			trans	-76.9	156.4	174.9	33.2	-36.3	0	0	0	111.7	R583 V713	R583-P663 WeakPolarHBondContact CD-O 3.23Å; P663-V713 HydrophobicContact CB-CB 4.05Å; P663-V713 HydrophobicContact CB-CG1 4.15Å; P663-V713 VanDerWaalsContact CB-O 3.29Å; P663-V713 WeakPolarHBondContact CB-O 3.27Å; P663-V713 HydrophobicContact CG-CG1 4.28Å
664	P	94.8	Very high	81.8	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.032	19%	0.188	C	C	.	.			trans	-67.5	166	173.1	28.8	-33.7	0	0	0	112.3	I584 Y611 S612 V614	I584-P664 HydrophobicContact CB-CB 4.24Å; Y611-P664 HydrophobicContact CD2-CG 4.26Å; Y611-P664 HydrophobicContact CE2-CG 4.04Å; Y611-P664 WeakPolarHBondContact CE2-O 3.25Å; Y611-P664 PolarHBondContact OH-O 3.02Å; S612-P664 WeakPolarHBondContact O-CD 3.38Å; V614-P664 HydrophobicContact CB-CB 4.1Å; V614-P664 HydrophobicContact CB-CG 4.47Å; V614-P664 HydrophobicContact CG2-CB 3.72Å; V614-P664 HydrophobicContact CG2-CG 3.97Å
665	V	94.4	Very high	79.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.4	179.8	-176.6	0	0	0	0	110.3	V576 F580 R583 I584 V585 G586 L717 L719	V576-V665 HydrophobicContact CG1-CG1 4.06Å; F580-V665 HydrophobicContact CB-CG2 4.38Å; F580-V665 HydrophobicContact CD2-CG2 4.22Å; F580-V665 HydrophobicContact CG-CG2 4.29Å; R583-V665 HydrophobicContact CB-CG2 4.42Å; I584-V665 PolarHBondContact O-N 2.89Å; V585-V665 WeakPolarHBondContact CA-O 3.45Å; V585-V665 HydrophobicContact CG1-CB 4.46Å; V585-V665 HydrophobicContact CG2-CB 4.04Å; V585-V665 HydrophobicContact CG2-CG2 4.46Å; G586-V665 PolarHBondContact N-O 2.9Å; G586-V665 VanDerWaalsContact N-O 3.1Å; V665-L717 HydrophobicContact CG1-CD2 4.43Å; V665-L719 HydrophobicContact CG1-CD1 3.82Å; V665-L719 HydrophobicContact CG1-CG 4.35Å
666	K	92.6	Very high	76.5	Confident	33 Å²	33	50.2 Å²	50.2	14%	0.143	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.9	177	179	-176.1	176.5	178	0	111.2	P589 Y611 R718 L719	P589-K666 HydrophobicContact CB-CD 4.06Å; P589-K666 HydrophobicContact CG-CD 4.09Å; Y611-K666 HydrophobicContact CD1-CB 4.45Å; Y611-K666 HydrophobicContact CD1-CD 4.35Å; Y611-K666 HydrophobicContact CE1-CB 3.86Å; Y611-K666 HydrophobicContact CE1-CD 4.38Å; Y611-K666 HydrophobicContact CE2-CB 4.01Å; Y611-K666 PolarHBondContact OH-N 3.03Å; K666-R718 HydrophobicContact CD-CG 4.42Å; K666-R718 HydrophobicContact CG-CG 4.48Å; K666-R718 WeakPolarHBondContact O-CA 3.32Å; K666-L719 PolarHBondContact O-N 2.61Å
667	V	91.1	Very high	73.5	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.2	171.1	-68.3	0	0	0	0	112.6	F572 A573 V576 V585 G586 Y587 L719	F572-V667 HydrophobicContact CE1-CB 4.36Å; F572-V667 HydrophobicContact CE1-CG1 4.13Å; A573-V667 HydrophobicContact CB-CG2 4.07Å; V576-V667 HydrophobicContact CB-CG1 4.18Å; V576-V667 HydrophobicContact CG1-CG1 4.01Å; V576-V667 HydrophobicContact CG2-CG1 4.12Å; V585-V667 HydrophobicContact CG1-CG1 3.74Å; G586-V667 VanDerWaalsContact O-CG2 3.27Å; G586-V667 WeakPolarHBondContact O-CG2 3.22Å; G586-V667 PolarHBondContact O-N 3.48Å; Y587-V667 HydrophobicContact CD1-CG2 3.62Å; Y587-V667 HydrophobicContact CE1-CG2 3.64Å; Y587-V667 HydrophobicContact CG-CG2 4.1Å; V667-L719 WeakPolarHBondContact CA-O 3.48Å
668	A	80.5	Confident	70.8	Confident	5 Å²	5	56.9 Å²	56.9	4%	0.041	28%	0.278	C	S	.	.			trans	-64.5	142.6	176.6	0	0	0	0	0	113.6	L719 D720 F724	A668-L719 PolarHBondContact N-O 3.24Å; A668-L719 VanDerWaalsContact N-O 3.14Å; A668-D720 HydrophobicContact CB-CB 4.19Å; A668-D720 WeakPolarHBondContact CB-OD1 3.36Å; A668-F724 HydrophobicContact CB-CD1 4.47Å; A668-F724 HydrophobicContact CB-CD2 3.47Å; A668-F724 VanDerWaalsContact CB-CD2 3.47Å; A668-F724 HydrophobicContact CB-CE1 4.28Å; A668-F724 HydrophobicContact CB-CE2 3.24Å; A668-F724 HydrophobicContact CB-CG 4.12Å; A668-F724 HydrophobicContact CB-CZ 3.7Å
669	Q	73.9	Confident	68.3	Low	34 Å²	34	61.4 Å²	61.4	16%	0.159	31%	0.307	C	S	.	.			trans	-118.5	126.4	162.6	-152.8	-173.9	2.5	0	0	108.7	V564 L565 Y587 K671	V564-Q669 PolarHBondContact O-NE2 2.95Å; L565-Q669 HydrophobicContact CD2-CG 4.01Å; Y587-Q669 HydrophobicContact CD1-CB 4.07Å; Y587-Q669 HydrophobicContact CD1-CG 4.18Å; Q669-K671 WeakPolarHBondContact CG-O 3.37Å; Q669-K671 PolarHBondContact NE2-O 3.16Å; Q669-K671 PolarHBondContact OE1-O 3.27Å
670	R	65.2	Low	65.5	Low	131 Å²	131	71.4 Å²	71.4	49%	0.494	35%	0.354	S	S	.	.	S	Bend	trans	-74.6	-44	179.3	-78.6	-177.9	154.7	179.3	-5.3	111.5	E569 L723 F724	E569-R670 WeakPolarHBondContact OE1-CB 3.3Å; E569-R670 PolarHBondContact OE1-N 3.37Å; R670-L723 PolarHBondContact NH2-O 2.77Å; R670-F724 HydrophobicContact CG-CD2 4.31Å; R670-F724 HydrophobicContact CG-CE2 4.15Å
671	K	57.5	Low	63.4	Low	131 Å²	131	75.1 Å²	75.1	57%	0.57	39%	0.394	S	S	*	.	S	Bend	trans	-84.8	113.9	166.1	-86	-177	172.3	179.7	0	106.9	V564 Q669 Y673	V564-K671 HydrophobicContact CG1-CD 4.09Å; Q669-K671 WeakPolarHBondContact CG-O 3.37Å; Q669-K671 PolarHBondContact NE2-O 3.16Å; Q669-K671 PolarHBondContact OE1-O 3.27Å; K671-Y673 PolarHBondContact O-N 2.91Å
672	Q	53.7	Low	61.3	Low	156 Å²	156	75.7 Å²	75.7	73%	0.729	40%	0.402	S	S	*	.			trans	-53.3	136.7	169.9	-74.6	174.8	-19.5	0	0	108.4	K674	Q672-K674 PolarHBondContact O-N 2.92Å
673	Y	47.4	Very low	59	Low	61 Å²	61	83.6 Å²	83.6	24%	0.239	44%	0.435	C	S	.	.			trans	-55.5	79.5	158	-161	-85.1	0	0	0	107.1	K671 E675	K671-Y673 PolarHBondContact O-N 2.91Å; Y673-E675 PolarHBondContact O-N 3.25Å; Y673-E675 VanDerWaalsContact O-N 3.12Å
674	K	42.6	Very low	56.5	Low	156 Å²	156	86.9 Å²	86.9	68%	0.678	46%	0.458	S	S	*	.			trans	-71.4	110.5	172.5	-81.4	-169.3	173.3	-173.2	0	104.3	Q672 V676	Q672-K674 PolarHBondContact O-N 2.92Å; K674-V676 HydrophobicContact CB-CG2 3.45Å; K674-V676 VanDerWaalsContact CB-CG2 3.45Å; K674-V676 HydrophobicContact CD-CG2 4.24Å; K674-V676 HydrophobicContact CG-CG2 4.49Å; K674-V676 PolarHBondContact O-N 3.31Å
675	E	43.4	Very low	54.4	Low	87 Å²	87	87.7 Å²	87.7	41%	0.407	47%	0.465	S	S	.	.			trans	-52.6	69.3	145.8	-73.6	173.4	-177.2	0	0	107.7	Y673 P677 W687	Y673-E675 PolarHBondContact O-N 3.25Å; Y673-E675 VanDerWaalsContact O-N 3.12Å; E675-P677 WeakPolarHBondContact O-CD 3.45Å; E675-W687 HydrophobicContact CB-CE3 4.5Å; E675-W687 HydrophobicContact CB-CH2 3.4Å; E675-W687 VanDerWaalsContact CB-CH2 3.4Å; E675-W687 HydrophobicContact CB-CZ2 4.05Å; E675-W687 HydrophobicContact CB-CZ3 3.65Å; E675-W687 HydrophobicContact CG-CD2 4.39Å; E675-W687 HydrophobicContact CG-CE3 3.97Å; E675-W687 HydrophobicContact CG-CH2 3.71Å; E675-W687 HydrophobicContact CG-CZ2 4.1Å; E675-W687 HydrophobicContact CG-CZ3 3.61Å
676	V	36.8	Very low	52.5	Low	95 Å²	95	92.3 Å²	92.3	58%	0.576	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-71.6	123.9	170.4	-174.1	0	0	0	0	104.5	K674	K674-V676 HydrophobicContact CB-CG2 3.45Å; K674-V676 VanDerWaalsContact CB-CG2 3.45Å; K674-V676 HydrophobicContact CD-CG2 4.24Å; K674-V676 HydrophobicContact CG-CG2 4.49Å; K674-V676 PolarHBondContact O-N 3.31Å
677	P	32.9	Very low	50.5	Low	99 Å²	99	94 Å²	94	64%	0.643	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-52.2	136.3	171.5	-20.6	30.6	0	0	0	108.4	E675	E675-P677 WeakPolarHBondContact O-CD 3.45Å
678	P	37.3	Very low	48.6	Very low	48 Å²	48	96.6 Å²	96.6	31%	0.312	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-52.9	138.8	176	15.8	-25.1	0	0	0	109.3	Q680 T682	P678-Q680 PolarHBondContact O-N 3.03Å; P678-T682 WeakPolarHBondContact CB-OG1 3.3Å
679	P	38.5	Very low	47.8	Very low	103 Å²	103	99.4 Å²	99.4	67%	0.669	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-54.1	135.4	167.4	22.2	-29.5	0	0	0	108.4	G681 T682	P679-G681 PolarHBondContact O-N 2.96Å; P679-T682 PolarHBondContact O-N 3.04Å; P679-T682 PolarHBondContact O-OG1 2.72Å; P679-T682 VanDerWaalsContact O-OG1 3.07Å
680	Q	33.9	Very low	47.7	Very low	211 Å²	211	102.5 Å²	102.5	99%	0.986	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.4	116.7	-177.4	-73.1	176.1	-19.5	0	0	110.1	P678	P678-Q680 PolarHBondContact O-N 3.03Å
681	G	44.4	Very low	48.1	Very low	86 Å²	86	102 Å²	102	89%	0.887	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.1	-3.8	178.2	0	0	0	0	0	116.7	P679	P679-G681 PolarHBondContact O-N 2.96Å
682	T	43.7	Very low	49.2	Very low	86 Å²	86	97.2 Å²	97.2	53%	0.528	54%	0.543	S	S	.	.	S	Bend	trans	-97.6	138.1	167.2	33.1	0	0	0	0	110.1	P678 P679 S684	P678-T682 WeakPolarHBondContact CB-OG1 3.3Å; P679-T682 PolarHBondContact O-N 3.04Å; P679-T682 PolarHBondContact O-OG1 2.72Å; P679-T682 VanDerWaalsContact O-OG1 3.07Å; T682-S684 PolarHBondContact O-N 2.87Å
683	K	41.6	Very low	50.6	Low	206 Å²	206	93.2 Å²	93.2	90%	0.896	52%	0.523	S	S	*	.			trans	-45.3	130.4	174.3	-76.4	-176.5	176.7	-179.2	0	108.4	A685	K683-A685 PolarHBondContact O-N 2.83Å
684	S	40.6	Very low	52.5	Low	89 Å²	89	94.8 Å²	94.8	62%	0.622	54%	0.539	S	S	*	.			trans	-48.5	133.9	-179.8	48.4	0	0	0	0	109.8	T682	T682-S684 PolarHBondContact O-N 2.87Å
685	A	49.5	Very low	54.7	Low	22 Å²	22	90.7 Å²	90.7	18%	0.182	52%	0.523	C	S	.	.			trans	-59.3	137.6	178.4	0	0	0	0	0	109	K683 W687 A688	K683-A685 PolarHBondContact O-N 2.83Å; A685-W687 HydrophobicContact CB-CD2 4.17Å; A685-W687 VanDerWaalsContact CB-CE2 3.41Å; A685-W687 HydrophobicContact CB-CG 4.28Å; A685-W687 HydrophobicContact CB-CZ2 3.79Å; A685-W687 PolarHBondContact O-N 3.25Å; A685-A688 WeakPolarHBondContact O-CB 3.3Å; A685-A688 PolarHBondContact O-N 3.11Å
686	P	54.5	Low	56.9	Low	97 Å²	97	87.3 Å²	87.3	63%	0.63	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-53.9	-29	-169.7	-27.9	33.5	0	0	0	114.5	A688 N689 H692	P686-A688 VanDerWaalsContact C-N 3.3Å; P686-A688 PolarHBondContact O-N 3.2Å; P686-N689 PolarHBondContact O-N 3.43Å; P686-H692 VanDerWaalsContact O-CB 3.27Å; P686-H692 WeakPolarHBondContact O-CB 3.24Å
687	W	52.1	Low	59.5	Low	68 Å²	68	84.8 Å²	84.8	26%	0.258	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-71.7	-14.7	-179.8	53.7	-98.6	0	0	0	114.9	E675 A685 N689 F693	E675-W687 HydrophobicContact CB-CE3 4.5Å; E675-W687 HydrophobicContact CB-CH2 3.4Å; E675-W687 VanDerWaalsContact CB-CH2 3.4Å; E675-W687 HydrophobicContact CB-CZ2 4.05Å; E675-W687 HydrophobicContact CB-CZ3 3.65Å; E675-W687 HydrophobicContact CG-CD2 4.39Å; E675-W687 HydrophobicContact CG-CE3 3.97Å; E675-W687 HydrophobicContact CG-CH2 3.71Å; E675-W687 HydrophobicContact CG-CZ2 4.1Å; E675-W687 HydrophobicContact CG-CZ3 3.61Å; A685-W687 HydrophobicContact CB-CD2 4.17Å; A685-W687 VanDerWaalsContact CB-CE2 3.41Å; A685-W687 HydrophobicContact CB-CG 4.28Å; A685-W687 HydrophobicContact CB-CZ2 3.79Å; A685-W687 PolarHBondContact O-N 3.25Å; W687-N689 VanDerWaalsContact C-N 3.35Å; W687-F693 VanDerWaalsContact O-CE2 3.3Å; W687-F693 WeakPolarHBondContact O-CE2 3.28Å
688	A	50	Low	62.3	Low	57 Å²	57	86.2 Å²	86.2	47%	0.471	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-83.9	-9.2	178.3	0	0	0	0	0	113.4	A685 P686	A685-A688 WeakPolarHBondContact O-CB 3.3Å; A685-A688 PolarHBondContact O-N 3.11Å; P686-A688 VanDerWaalsContact C-N 3.3Å; P686-A688 PolarHBondContact O-N 3.2Å
689	N	64	Low	65	Low	64 Å²	64	84.1 Å²	84.1	34%	0.342	47%	0.472	S	S	.	.	S	Bend	trans	-83.2	125	178.7	-173.3	-5.6	0	0	0	110.5	P686 W687 E691 H692	P686-N689 PolarHBondContact O-N 3.43Å; W687-N689 VanDerWaalsContact C-N 3.35Å; N689-E691 PolarHBondContact ND2-OE2 3.01Å; N689-E691 PolarHBondContact O-N 3.39Å; N689-E691 WeakPolarHBondContact OD1-CB 3.29Å; N689-E691 PolarHBondContact OD1-N 2.95Å; N689-H692 HydrophobicContact CB-CB 4.35Å; N689-H692 VanDerWaalsContact O-CB 3.22Å; N689-H692 WeakPolarHBondContact O-CB 3.44Å; N689-H692 PolarHBondContact O-N 2.87Å
690	P	71.1	Confident	67.6	Low	99 Å²	99	79.2 Å²	79.2	64%	0.643	44%	0.441	S	S	*	.	H	α-helix	trans	-52.8	-33.8	172.4	-27.6	35.5	0	0	0	113.8	H692 F693 T694	P690-H692 PolarHBondContact O-N 3.36Å; P690-F693 PolarHBondContact O-N 2.78Å; P690-T694 PolarHBondContact O-N 3.05Å; P690-T694 PolarHBondContact O-OG1 3.04Å
691	E	75.4	Confident	70.5	Confident	122 Å²	122	71.2 Å²	71.2	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-61.8	-32.4	176.6	-62.4	173	159.2	0	0	112.2	N689 F693 T694 Q695	N689-E691 PolarHBondContact ND2-OE2 3.01Å; N689-E691 PolarHBondContact O-N 3.39Å; N689-E691 WeakPolarHBondContact OD1-CB 3.29Å; N689-E691 PolarHBondContact OD1-N 2.95Å; E691-F693 VanDerWaalsContact C-N 3.32Å; E691-F693 PolarHBondContact O-N 3.49Å; E691-T694 PolarHBondContact O-N 3.24Å; E691-Q695 WeakPolarHBondContact O-CB 3.06Å; E691-Q695 VanDerWaalsContact O-CG 3.25Å; E691-Q695 WeakPolarHBondContact O-CG 3.36Å; E691-Q695 PolarHBondContact O-N 2.69Å
692	H	80.3	Confident	72.8	Confident	29 Å²	29	69.6 Å²	69.6	13%	0.134	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-36.8	178.2	177	-86.3	0	0	0	111.9	N646 P686 N689 P690 R696	N646-H692 PolarHBondContact ND2-CD2 3.22Å; N646-H692 PolarHBondContact ND2-NE2 2.67Å; N646-H692 PolarHBondContact ND2-O 2.73Å; N646-H692 PolarHBondContact OD1-NE2 2.76Å; P686-H692 VanDerWaalsContact O-CB 3.27Å; P686-H692 WeakPolarHBondContact O-CB 3.24Å; N689-H692 HydrophobicContact CB-CB 4.35Å; N689-H692 VanDerWaalsContact O-CB 3.22Å; N689-H692 WeakPolarHBondContact O-CB 3.44Å; N689-H692 PolarHBondContact O-N 2.87Å; P690-H692 PolarHBondContact O-N 3.36Å; H692-R696 PolarHBondContact CE1-NE 3.15Å; H692-R696 WeakPolarHBondContact O-CG 3.38Å; H692-R696 PolarHBondContact O-N 3Å
693	F	83	Confident	75.2	Confident	73 Å²	73	65.5 Å²	65.5	32%	0.32	35%	0.352	S	S	.	.	H	α-helix	trans	-72.7	-40.5	175	-78	-82.1	0	0	0	112	Y603 S605 W687 P690 E691 Q695 R696 Q697	Y603-F693 HydrophobicContact CD1-CD1 4.12Å; Y603-F693 HydrophobicContact CE1-CD1 4.02Å; Y603-F693 HydrophobicContact CE1-CE1 4.06Å; S605-F693 WeakPolarHBondContact OG-CE1 3.5Å; W687-F693 VanDerWaalsContact O-CE2 3.3Å; W687-F693 WeakPolarHBondContact O-CE2 3.28Å; P690-F693 PolarHBondContact O-N 2.78Å; E691-F693 VanDerWaalsContact C-N 3.32Å; E691-F693 PolarHBondContact O-N 3.49Å; F693-Q695 VanDerWaalsContact C-N 3.33Å; F693-Q695 PolarHBondContact O-N 2.86Å; F693-R696 PolarHBondContact O-N 2.95Å; F693-Q697 WeakPolarHBondContact O-CB 3.49Å; F693-Q697 PolarHBondContact O-N 3.07Å
694	T	86	Confident	77.6	Confident	94 Å²	94	56 Å²	56	58%	0.577	31%	0.313	S	S	*	.	H	α-helix	trans	-62.5	-39.8	175.8	-54.5	0	0	0	0	111.6	P690 E691 Q697 E698	P690-T694 PolarHBondContact O-N 3.05Å; P690-T694 PolarHBondContact O-OG1 3.04Å; E691-T694 PolarHBondContact O-N 3.24Å; T694-Q697 WeakPolarHBondContact O-CB 3.45Å; T694-Q697 PolarHBondContact O-N 3.46Å; T694-E698 PolarHBondContact O-N 3.1Å
695	Q	89.1	Confident	80	Confident	69 Å²	69	56 Å²	56	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-44.6	174.1	-73.3	170	5.1	0	0	111.9	E691 F693 Q697 E698 C699	E691-Q695 WeakPolarHBondContact O-CB 3.06Å; E691-Q695 VanDerWaalsContact O-CG 3.25Å; E691-Q695 WeakPolarHBondContact O-CG 3.36Å; E691-Q695 PolarHBondContact O-N 2.69Å; F693-Q695 VanDerWaalsContact C-N 3.33Å; F693-Q695 PolarHBondContact O-N 2.86Å; Q695-Q697 VanDerWaalsContact C-N 3.29Å; Q695-Q697 PolarHBondContact O-N 3.06Å; Q695-E698 PolarHBondContact O-N 3.24Å; Q695-E698 VanDerWaalsContact O-N 3.16Å; Q695-C699 PolarHBondContact O-N 2.82Å; Q695-C699 PolarHBondContact O-SG 3.48Å
696	R	90.8	Very high	82	Confident	17 Å²	17	57.8 Å²	57.8	6%	0.064	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-38.6	176.9	-76	-174.7	172.3	-123.4	-4.6	112.5	Y603 N646 D649 I650 H692 F693 C699 V700	Y603-R696 HydrophobicContact CD1-CB 3.92Å; Y603-R696 HydrophobicContact CE1-CB 4.21Å; Y603-R696 HydrophobicContact CG-CB 4.15Å; Y603-R696 PolarHBondContact OH-NH1 3.28Å; N646-R696 PolarHBondContact OD1-NE 3.07Å; N646-R696 PolarHBondContact OD1-NH2 3.2Å; D649-R696 IonicContact OD1-CZ 2.68Å; D649-R696 IonicContact OD1-NH1 3.03Å; D649-R696 PolarHBondContact OD1-NH1 2.93Å; D649-R696 IonicContact OD1-NH2 3.76Å; D649-R696 IonicContact OD2-CZ 3.93Å; D649-R696 VanDerWaalsContact OD2-CZ 3.24Å; D649-R696 IonicContact OD2-NH1 2.97Å; D649-R696 PolarHBondContact OD2-NH1 2.75Å; D649-R696 IonicContact OD2-NH2 2.6Å; D649-R696 PolarHBondContact OD2-NH2 3.45Å; I650-R696 HydrophobicContact CD1-CB 3.88Å; I650-R696 HydrophobicContact CD1-CG 3.87Å; H692-R696 PolarHBondContact CE1-NE 3.15Å; H692-R696 WeakPolarHBondContact O-CG 3.38Å; H692-R696 PolarHBondContact O-N 3Å; F693-R696 PolarHBondContact O-N 2.95Å; R696-C699 WeakPolarHBondContact O-CB 3.34Å; R696-C699 PolarHBondContact O-N 2.91Å; R696-V700 WeakPolarHBondContact O-CG2 3.36Å; R696-V700 PolarHBondContact O-N 3.02Å
697	Q	90.4	Very high	83.6	Confident	41 Å²	41	54.1 Å²	54.1	19%	0.192	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-48.1	172.3	178.6	75.1	19.5	0	0	111.4	W601 G602 F693 T694 Q695 V700 N701	W601-Q697 VanDerWaalsContact O-CD 3.24Å; W601-Q697 PolarHBondContact O-NE2 3.17Å; G602-Q697 VanDerWaalsContact C-OE1 3.26Å; G602-Q697 VanDerWaalsContact CA-NE2 3.29Å; F693-Q697 WeakPolarHBondContact O-CB 3.49Å; F693-Q697 PolarHBondContact O-N 3.07Å; T694-Q697 WeakPolarHBondContact O-CB 3.45Å; T694-Q697 PolarHBondContact O-N 3.46Å; Q695-Q697 VanDerWaalsContact C-N 3.29Å; Q695-Q697 PolarHBondContact O-N 3.06Å; Q697-V700 PolarHBondContact O-N 3.44Å; Q697-N701 PolarHBondContact O-N 3.43Å; Q697-N701 PolarHBondContact O-ND2 3.34Å
698	E	91.9	Very high	85.3	Confident	129 Å²	129	52.2 Å²	52.2	60%	0.603	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-40.6	178.4	-171.4	177.5	-178.7	0	0	112.1	T694 Q695 V700 N701 T702	T694-E698 PolarHBondContact O-N 3.1Å; Q695-E698 PolarHBondContact O-N 3.24Å; Q695-E698 VanDerWaalsContact O-N 3.16Å; E698-V700 PolarHBondContact O-N 3.12Å; E698-N701 PolarHBondContact O-N 3.5Å; E698-T702 WeakPolarHBondContact O-CB 3.45Å; E698-T702 PolarHBondContact O-N 3.26Å; E698-T702 PolarHBondContact O-OG1 3.4Å
699	C	93.9	Very high	87.1	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-46.6	174.5	-68.1	0	0	0	0	112.2	C647 Q695 R696 N701 T702 F703	C647-C699 HydrophobicContact CB-CB 3.43Å; C647-C699 VanDerWaalsContact CB-CB 3.43Å; C647-C699 WeakPolarHBondContact CB-SG 3.42Å; C647-C699 WeakPolarHBondContact SG-CB 3.47Å; C647-C699 CovalentContact SG-SG 2.03Å; C647-C699 PolarHBondContact SG-SG 3.02Å; Q695-C699 PolarHBondContact O-N 2.82Å; Q695-C699 PolarHBondContact O-SG 3.48Å; R696-C699 WeakPolarHBondContact O-CB 3.34Å; R696-C699 PolarHBondContact O-N 2.91Å; C699-N701 VanDerWaalsContact C-N 3.3Å; C699-N701 PolarHBondContact O-N 3.34Å; C699-T702 PolarHBondContact O-N 3.49Å; C699-F703 HydrophobicContact CB-CD2 4.41Å; C699-F703 HydrophobicContact CB-CE2 3.83Å; C699-F703 HydrophobicContact CB-CZ 3.99Å; C699-F703 WeakPolarHBondContact O-CB 3.44Å; C699-F703 VanDerWaalsContact O-CD2 3.23Å; C699-F703 WeakPolarHBondContact O-CD2 3.48Å; C699-F703 WeakPolarHBondContact O-CG 3.5Å; C699-F703 PolarHBondContact O-N 3.3Å
700	V	94.1	Very high	88.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-43.9	178.6	171.2	0	0	0	0	111	W601 Y603 I650 F654 R696 Q697 E698 A704 M710	W601-V700 HydrophobicContact CB-CG1 3.64Å; Y603-V700 HydrophobicContact CD2-CG2 4.48Å; I650-V700 HydrophobicContact CD1-CG2 4.21Å; I650-V700 HydrophobicContact CG2-CG2 3.87Å; F654-V700 HydrophobicContact CE2-CG1 4.45Å; F654-V700 HydrophobicContact CZ-CG1 4.09Å; R696-V700 WeakPolarHBondContact O-CG2 3.36Å; R696-V700 PolarHBondContact O-N 3.02Å; Q697-V700 PolarHBondContact O-N 3.44Å; E698-V700 PolarHBondContact O-N 3.12Å; V700-A704 VanDerWaalsContact O-CB 3.25Å; V700-A704 WeakPolarHBondContact O-CB 3.43Å; V700-A704 PolarHBondContact O-N 2.86Å; V700-M710 HydrophobicContact CG1-CE 3.79Å
701	N	93.2	Very high	89.4	Confident	44 Å²	44	44.5 Å²	44.5	24%	0.235	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-42.8	178.6	-73	-74.2	0	0	0	112.1	W601 Q697 E698 C699 F703 A704 S705	W601-N701 PolarHBondContact N-OD1 3.3Å; W601-N701 PolarHBondContact O-ND2 3.2Å; Q697-N701 PolarHBondContact O-N 3.43Å; Q697-N701 PolarHBondContact O-ND2 3.34Å; E698-N701 PolarHBondContact O-N 3.5Å; C699-N701 VanDerWaalsContact C-N 3.3Å; C699-N701 PolarHBondContact O-N 3.34Å; N701-F703 PolarHBondContact O-N 2.86Å; N701-A704 PolarHBondContact O-N 3.28Å; N701-S705 WeakPolarHBondContact O-CB 3.23Å; N701-S705 PolarHBondContact O-N 2.97Å
702	T	93.7	Very high	90.3	Very high	51 Å²	51	38.9 Å²	38.9	31%	0.313	21%	0.207	S	C	.	.	H	α-helix	trans	-61.9	-44.3	177.7	-56.9	0	0	0	0	111.3	L637 L640 E698 C699 S705 W706	L637-T702 HydrophobicContact CD2-CG2 4.38Å; L640-T702 HydrophobicContact CD2-CG2 3.77Å; E698-T702 WeakPolarHBondContact O-CB 3.45Å; E698-T702 PolarHBondContact O-N 3.26Å; E698-T702 PolarHBondContact O-OG1 3.4Å; C699-T702 PolarHBondContact O-N 3.49Å; T702-S705 PolarHBondContact O-N 2.84Å; T702-W706 PolarHBondContact O-N 2.57Å
703	F	94.1	Very high	90.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-44.9	177.8	-57.7	-22.2	0	0	0	111.3	L637 L640 V641 C647 I650 L651 F654 C699 N701 S705 W706 F707	L637-F703 HydrophobicContact CD2-CD1 3.98Å; L637-F703 HydrophobicContact CD2-CE1 4.17Å; L640-F703 HydrophobicContact CD2-CE1 4.36Å; V641-F703 HydrophobicContact CG2-CE1 4.42Å; V641-F703 HydrophobicContact CG2-CZ 3.86Å; C647-F703 HydrophobicContact CB-CE2 4.05Å; C647-F703 HydrophobicContact CB-CZ 4.11Å; I650-F703 HydrophobicContact CB-CE2 4.27Å; I650-F703 HydrophobicContact CG2-CD2 3.92Å; I650-F703 HydrophobicContact CG2-CE2 4.06Å; L651-F703 HydrophobicContact CB-CD2 4.27Å; L651-F703 HydrophobicContact CB-CE2 3.68Å; L651-F703 HydrophobicContact CB-CZ 3.87Å; L651-F703 HydrophobicContact CD1-CD1 4.03Å; L651-F703 HydrophobicContact CD1-CD2 4.19Å; L651-F703 HydrophobicContact CD1-CE1 4.09Å; L651-F703 HydrophobicContact CD1-CE2 4.24Å; L651-F703 HydrophobicContact CD1-CG 4.1Å; L651-F703 HydrophobicContact CD1-CZ 4.2Å; L651-F703 HydrophobicContact CD2-CE1 4.48Å; L651-F703 HydrophobicContact CD2-CZ 4.36Å; L651-F703 HydrophobicContact CG-CE2 4.47Å; L651-F703 HydrophobicContact CG-CZ 4.37Å; F654-F703 HydrophobicContact CD1-CB 3.72Å; F654-F703 HydrophobicContact CD2-CD2 4.46Å; F654-F703 HydrophobicContact CE1-CB 3.7Å; F654-F703 HydrophobicContact CG-CB 4.19Å; F654-F703 HydrophobicContact CZ-CB 4.12Å; C699-F703 HydrophobicContact CB-CD2 4.41Å; C699-F703 HydrophobicContact CB-CE2 3.83Å; C699-F703 HydrophobicContact CB-CZ 3.99Å; C699-F703 WeakPolarHBondContact O-CB 3.44Å; C699-F703 VanDerWaalsContact O-CD2 3.23Å; C699-F703 WeakPolarHBondContact O-CD2 3.48Å; C699-F703 WeakPolarHBondContact O-CG 3.5Å; C699-F703 PolarHBondContact O-N 3.3Å; N701-F703 PolarHBondContact O-N 2.86Å; F703-S705 VanDerWaalsContact C-N 3.28Å; F703-S705 PolarHBondContact O-N 3.49Å; F703-W706 PolarHBondContact O-N 2.81Å; F703-W706 VanDerWaalsContact O-N 3.14Å; F703-F707 VanDerWaalsContact O-CD2 3.3Å; F703-F707 WeakPolarHBondContact O-CD2 3.47Å; F703-F707 PolarHBondContact O-N 2.56Å
704	A	92.4	Very high	91.2	Very high	7 Å²	7	39.8 Å²	39.8	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-39.8	176.2	0	0	0	0	0	112.1	F654 V700 N701 G708 Y709 M710	F654-A704 HydrophobicContact CE1-CB 4.15Å; V700-A704 VanDerWaalsContact O-CB 3.25Å; V700-A704 WeakPolarHBondContact O-CB 3.43Å; V700-A704 PolarHBondContact O-N 2.86Å; N701-A704 PolarHBondContact O-N 3.28Å; A704-G708 CarbonylContact O-C 3.3Å; A704-G708 WeakPolarHBondContact O-CA 3.39Å; A704-G708 PolarHBondContact O-N 2.85Å; A704-Y709 PolarHBondContact O-N 3.23Å; A704-M710 HydrophobicContact CB-CE 3.88Å
705	S	90.7	Very high	91.4	Very high	89 Å²	89	36 Å²	36	62%	0.622	19%	0.192	S	C	*	.	H	α-helix	trans	-63	-43.6	174.1	-179	0	0	0	0	112.1	N701 T702 F703 G708	N701-S705 WeakPolarHBondContact O-CB 3.23Å; N701-S705 PolarHBondContact O-N 2.97Å; T702-S705 PolarHBondContact O-N 2.84Å; F703-S705 VanDerWaalsContact C-N 3.28Å; F703-S705 PolarHBondContact O-N 3.49Å; S705-G708 WeakPolarHBondContact O-CA 3.4Å; S705-G708 PolarHBondContact O-N 2.99Å; S705-G708 VanDerWaalsContact O-N 3.13Å
706	W	90.7	Very high	91.4	Very high	60 Å²	60	38.9 Å²	38.9	23%	0.227	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-42.5	178.6	-178.1	81.8	0	0	0	113.3	Y632 L633 P634 L637 T702 F703 G708	Y632-W706 HydrophobicContact CE1-CH2 4.03Å; L633-W706 HydrophobicContact CD2-CH2 4.1Å; L633-W706 HydrophobicContact CD2-CZ3 3.89Å; P634-W706 HydrophobicContact CG-CD2 4.46Å; P634-W706 HydrophobicContact CG-CZ2 3.74Å; L637-W706 HydrophobicContact CD1-CB 4.15Å; L637-W706 HydrophobicContact CD1-CD2 3.53Å; L637-W706 HydrophobicContact CD1-CE3 3.68Å; L637-W706 HydrophobicContact CD1-CG 3.7Å; L637-W706 HydrophobicContact CD1-CZ3 4.34Å; L637-W706 HydrophobicContact CD2-CB 4.46Å; L637-W706 HydrophobicContact CG-CG 4.36Å; T702-W706 PolarHBondContact O-N 2.57Å; F703-W706 PolarHBondContact O-N 2.81Å; F703-W706 VanDerWaalsContact O-N 3.14Å; W706-G708 PolarHBondContact O-N 3.26Å
707	F	88.9	Confident	91.4	Very high	20 Å²	20	41.3 Å²	41.3	9%	0.088	22%	0.219	C	C	.	.	H	α-helix	trans	-70.2	-19.9	172.9	-78.9	-83.2	0	0	0	112	G240 L633 F654 A658 F703 Y709 P711	G240-F707 WeakPolarHBondContact CA-O 3.25Å; L633-F707 HydrophobicContact CD2-CZ 4.28Å; F654-F707 HydrophobicContact CB-CD2 4.49Å; F654-F707 HydrophobicContact CB-CE2 3.86Å; F654-F707 HydrophobicContact CB-CZ 4.38Å; F654-F707 AromaticContact CD1-CD2 3.78Å; F654-F707 HydrophobicContact CD1-CD2 3.78Å; F654-F707 AromaticContact CD1-CE2 3.99Å; F654-F707 HydrophobicContact CD1-CE2 3.99Å; F654-F707 HydrophobicContact CG-CE2 4.42Å; A658-F707 HydrophobicContact CB-CD1 4.03Å; A658-F707 HydrophobicContact CB-CE1 3.62Å; A658-F707 HydrophobicContact CB-CZ 4.34Å; F703-F707 VanDerWaalsContact O-CD2 3.3Å; F703-F707 WeakPolarHBondContact O-CD2 3.47Å; F703-F707 PolarHBondContact O-N 2.56Å; F707-Y709 HydrophobicContact CB-CD1 4.45Å; F707-Y709 HydrophobicContact CB-CE1 4.47Å; F707-Y709 WeakPolarHBondContact O-CD1 3.48Å; F707-Y709 PolarHBondContact O-N 3.35Å; F707-P711 HydrophobicContact CD2-CG 4.47Å; F707-P711 HydrophobicContact CG-CG 4.43Å
708	G	87.5	Confident	91.3	Very high	28 Å²	28	44.1 Å²	44.1	29%	0.289	23%	0.228	S	C	.	.	S	Bend	trans	77.4	-4.4	-176.5	0	0	0	0	0	114.5	A704 S705 W706	A704-G708 CarbonylContact O-C 3.3Å; A704-G708 WeakPolarHBondContact O-CA 3.39Å; A704-G708 PolarHBondContact O-N 2.85Å; S705-G708 WeakPolarHBondContact O-CA 3.4Å; S705-G708 PolarHBondContact O-N 2.99Å; S705-G708 VanDerWaalsContact O-N 3.13Å; W706-G708 PolarHBondContact O-N 3.26Å
709	Y	88.8	Confident	91.1	Very high	43 Å²	43	40.2 Å²	40.2	17%	0.169	21%	0.211	C	C	.	.	S	Bend	trans	-149.8	170.9	175.3	73	-77.1	0	0	0	109.3	A704 F707 P711	A704-Y709 PolarHBondContact O-N 3.23Å; F707-Y709 HydrophobicContact CB-CD1 4.45Å; F707-Y709 HydrophobicContact CB-CE1 4.47Å; F707-Y709 WeakPolarHBondContact O-CD1 3.48Å; F707-Y709 PolarHBondContact O-N 3.35Å; Y709-P711 HydrophobicContact CE2-CB 3.86Å; Y709-P711 WeakPolarHBondContact O-CD 3.26Å
710	M	91.5	Very high	90.7	Very high	12 Å²	12	43 Å²	43	6%	0.059	23%	0.225	C	C	.	.			trans	-84.5	107.3	171.4	179.7	52.1	69.4	0	0	109.9	R243 H592 W601 F654 V700 A704 L712	R243-M710 PolarHBondContact NH2-O 3.18Å; H592-M710 WeakPolarHBondContact NE2-CG 3.5Å; W601-M710 HydrophobicContact CB-CE 3.78Å; W601-M710 HydrophobicContact CD2-CB 4.44Å; W601-M710 HydrophobicContact CD2-CE 3.29Å; W601-M710 HydrophobicContact CD2-CG 4.4Å; W601-M710 HydrophobicContact CE3-CE 3.8Å; W601-M710 HydrophobicContact CE3-CG 4.42Å; W601-M710 HydrophobicContact CG-CE 3.27Å; W601-M710 HydrophobicContact CH2-CB 4.01Å; W601-M710 HydrophobicContact CH2-CG 4.16Å; W601-M710 HydrophobicContact CZ2-CB 3.58Å; W601-M710 HydrophobicContact CZ2-CG 4.14Å; W601-M710 HydrophobicContact CZ3-CG 4.3Å; F654-M710 HydrophobicContact CE1-CE 4.42Å; F654-M710 HydrophobicContact CE1-SD 3.99Å; F654-M710 HydrophobicContact CE2-SD 4.39Å; F654-M710 HydrophobicContact CZ-CE 3.88Å; F654-M710 HydrophobicContact CZ-SD 3.62Å; V700-M710 HydrophobicContact CG1-CE 3.79Å; A704-M710 HydrophobicContact CB-CE 3.88Å; M710-L712 HydrophobicContact CG-CB 4.4Å; M710-L712 HydrophobicContact SD-CB 3.83Å; M710-L712 HydrophobicContact SD-CD1 4.04Å; M710-L712 HydrophobicContact SD-CG 3.9Å
711	P	91.4	Very high	90	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.013	24%	0.238	C	C	.	.			trans	-80.7	-20.1	-179.8	32.6	-36.4	0	0	0	113.6	F654 S657 A658 F707 Y709 V713	F654-P711 HydrophobicContact CB-CG 4.15Å; F654-P711 HydrophobicContact CD1-CG 3.25Å; F654-P711 VanDerWaalsContact CE1-CD 3.48Å; F654-P711 HydrophobicContact CE1-CG 3.8Å; F654-P711 HydrophobicContact CG-CG 3.83Å; S657-P711 WeakPolarHBondContact CB-O 3.45Å; A658-P711 HydrophobicContact CB-CB 3.76Å; A658-P711 HydrophobicContact CB-CG 4.43Å; F707-P711 HydrophobicContact CD2-CG 4.47Å; F707-P711 HydrophobicContact CG-CG 4.43Å; Y709-P711 HydrophobicContact CE2-CB 3.86Å; Y709-P711 WeakPolarHBondContact O-CD 3.26Å; P711-V713 PolarHBondContact O-N 3.18Å
712	L	93.4	Very high	88.9	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	26%	0.264	C	S	.	.			trans	-62.6	136.7	-178.4	-64.6	-178.2	0	0	0	111	H592 I613 N653 F654 M710	H592-L712 HydrophobicContact CB-CD1 4.13Å; H592-L712 WeakPolarHBondContact CE1-CB 3.45Å; H592-L712 WeakPolarHBondContact ND1-CB 3.39Å; I613-L712 HydrophobicContact CD1-CD1 3.66Å; I613-L712 HydrophobicContact CG1-CD1 3.62Å; I613-L712 HydrophobicContact CG1-CD2 4.21Å; N653-L712 HydrophobicContact CB-CD2 4Å; F654-L712 HydrophobicContact CD2-CD1 3.87Å; F654-L712 HydrophobicContact CD2-CD2 3.76Å; F654-L712 HydrophobicContact CD2-CG 3.74Å; F654-L712 HydrophobicContact CE2-CD1 3.37Å; F654-L712 HydrophobicContact CE2-CD2 4.15Å; F654-L712 HydrophobicContact CE2-CG 3.63Å; F654-L712 HydrophobicContact CG-CD2 4.36Å; F654-L712 HydrophobicContact CG-CG 4.4Å; F654-L712 HydrophobicContact CZ-CD1 4.06Å; F654-L712 HydrophobicContact CZ-CG 4.16Å; M710-L712 HydrophobicContact CG-CB 4.4Å; M710-L712 HydrophobicContact SD-CB 3.83Å; M710-L712 HydrophobicContact SD-CD1 4.04Å; M710-L712 HydrophobicContact SD-CG 3.9Å
713	V	91.6	Very high	87.5	Confident	41 Å²	41	50.8 Å²	50.8	25%	0.248	27%	0.271	C	S	.	.			trans	-116.7	134.6	179.6	-175.4	0	0	0	0	108.7	S612 P663 P711	S612-V713 WeakPolarHBondContact CA-O 3.14Å; S612-V713 WeakPolarHBondContact CB-O 3.44Å; P663-V713 HydrophobicContact CB-CB 4.05Å; P663-V713 HydrophobicContact CB-CG1 4.15Å; P663-V713 VanDerWaalsContact CB-O 3.29Å; P663-V713 WeakPolarHBondContact CB-O 3.27Å; P663-V713 HydrophobicContact CG-CG1 4.28Å; P711-V713 PolarHBondContact O-N 3.18Å
714	H	90.4	Very high	85.9	Confident	79 Å²	79	52.4 Å²	52.4	37%	0.366	28%	0.279	S	S	.	.			trans	-76.1	148.1	175.8	-64.3	79.5	0	0	0	112	H592 Y611	H592-H714 AromaticContact CE1-CE1 3.09Å; H592-H714 PolarHBondContact CE1-CE1 3.04Å; H592-H714 AromaticContact CE1-ND1 3.59Å; H592-H714 AromaticContact CE1-NE2 3.69Å; H592-H714 AromaticContact ND1-CE1 3.75Å; H592-H714 AromaticContact ND1-NE2 3.91Å; H592-H714 AromaticContact NE2-CE1 3.3Å; H592-H714 PolarHBondContact NE2-CE1 2.86Å; H592-H714 VanDerWaalsContact NE2-CE1 3.3Å; H592-H714 PolarHBondContact O-NE2 3.2Å; Y611-H714 CarbonylContact O-C 3.44Å; Y611-H714 WeakPolarHBondContact O-CA 2.97Å
715	S	90.4	Very high	84.2	Confident	16 Å²	16	60.1 Å²	60.1	11%	0.112	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-142.7	152.1	172.7	172.6	0	0	0	0	109.9	E610 Y611 L717	E610-S715 WeakPolarHBondContact CA-O 3.41Å; Y611-S715 WeakPolarHBondContact CD1-O 3.49Å; Y611-S715 VanDerWaalsContact CE1-O 3.32Å; Y611-S715 WeakPolarHBondContact CE1-O 3.39Å; Y611-S715 PolarHBondContact N-O 3.3Å; Y611-S715 PolarHBondContact O-N 3.32Å; Y611-S715 PolarHBondContact OH-OG 2Å; S715-L717 WeakPolarHBondContact OG-CB 3.05Å; S715-L717 PolarHBondContact OG-N 3.41Å
716	Q	90.5	Very high	82.7	Confident	129 Å²	129	59.4 Å²	59.4	60%	0.603	30%	0.3	S	S	*	.			trans	-113.5	0.9	169.9	-63	175.3	-3.5	0	0	111.2	N609 E610 R718	N609-Q716 WeakPolarHBondContact O-CA 3.19Å; E610-Q716 HydrophobicContact CG-CG 3.61Å; E610-Q716 PolarHBondContact OE1-NE2 2.91Å; Q716-R718 PolarHBondContact O-N 2.7Å
717	L	89.1	Confident	81	Confident	68 Å²	68	62.3 Å²	62.3	36%	0.356	32%	0.316	S	S	.	.			trans	-68.1	130	-175.7	-179.7	63.9	0	0	0	111	Y611 V665 S715 L719	Y611-L717 WeakPolarHBondContact CE1-O 3.32Å; Y611-L717 PolarHBondContact OH-O 3.43Å; V665-L717 HydrophobicContact CG1-CD2 4.43Å; S715-L717 WeakPolarHBondContact OG-CB 3.05Å; S715-L717 PolarHBondContact OG-N 3.41Å; L717-L719 HydrophobicContact CD1-CD2 4.23Å
718	R	88.2	Confident	79.7	Confident	100 Å²	100	63.3 Å²	63.3	38%	0.377	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.5	173.6	177.7	-176.3	166	165.5	1.3	109.4	K666 Q716 D720	K666-R718 HydrophobicContact CD-CG 4.42Å; K666-R718 HydrophobicContact CG-CG 4.48Å; K666-R718 WeakPolarHBondContact O-CA 3.32Å; Q716-R718 PolarHBondContact O-N 2.7Å; R718-D720 IonicContact CZ-OD1 3.68Å; R718-D720 IonicContact CZ-OD2 3.88Å; R718-D720 IonicContact NE-OD1 2.74Å; R718-D720 PolarHBondContact NE-OD1 3.2Å; R718-D720 IonicContact NE-OD2 3.17Å; R718-D720 PolarHBondContact NE-OD2 3.14Å; R718-D720 IonicContact NH2-OD1 3.16Å; R718-D720 PolarHBondContact NH2-OD1 3.35Å; R718-D720 VanDerWaalsContact NH2-OD1 3.17Å; R718-D720 IonicContact NH2-OD2 3.87Å; R718-D720 PolarHBondContact NH2-OD2 3.08Å
719	L	89.2	Confident	78.3	Confident	47 Å²	47	65.8 Å²	65.8	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.1	178.6	-63.5	175.4	0	0	0	110.3	F572 V576 F580 V665 K666 V667 A668 L717	F572-L719 WeakPolarHBondContact CE1-O 3.32Å; F572-L719 HydrophobicContact CZ-CB 4.39Å; V576-L719 HydrophobicContact CG1-CD1 3.52Å; V576-L719 HydrophobicContact CG2-CB 4.36Å; V576-L719 HydrophobicContact CG2-CD1 4.31Å; F580-L719 HydrophobicContact CD2-CD1 4.41Å; F580-L719 HydrophobicContact CE2-CD1 3.7Å; V665-L719 HydrophobicContact CG1-CD1 3.82Å; V665-L719 HydrophobicContact CG1-CG 4.35Å; K666-L719 PolarHBondContact O-N 2.61Å; V667-L719 WeakPolarHBondContact CA-O 3.48Å; A668-L719 PolarHBondContact N-O 3.24Å; A668-L719 VanDerWaalsContact N-O 3.14Å; L717-L719 HydrophobicContact CD1-CD2 4.23Å
720	D	84.8	Confident	77	Confident	61 Å²	61	67.6 Å²	67.6	33%	0.326	35%	0.352	S	S	.	.			trans	-121	144.3	-177.2	-68.4	-18.4	0	0	0	109.2	A668 R718 F724	A668-D720 HydrophobicContact CB-CB 4.19Å; A668-D720 WeakPolarHBondContact CB-OD1 3.36Å; R718-D720 IonicContact CZ-OD1 3.68Å; R718-D720 IonicContact CZ-OD2 3.88Å; R718-D720 IonicContact NE-OD1 2.74Å; R718-D720 PolarHBondContact NE-OD1 3.2Å; R718-D720 IonicContact NE-OD2 3.17Å; R718-D720 PolarHBondContact NE-OD2 3.14Å; R718-D720 IonicContact NH2-OD1 3.16Å; R718-D720 PolarHBondContact NH2-OD1 3.35Å; R718-D720 VanDerWaalsContact NH2-OD1 3.17Å; R718-D720 IonicContact NH2-OD2 3.87Å; R718-D720 PolarHBondContact NH2-OD2 3.08Å; D720-F724 HydrophobicContact CB-CB 3.71Å; D720-F724 HydrophobicContact CB-CD1 3.79Å; D720-F724 HydrophobicContact CB-CG 3.75Å; D720-F724 WeakPolarHBondContact OD2-CD1 3.06Å; D720-F724 WeakPolarHBondContact OD2-CE1 3.29Å
721	P	79.9	Confident	75.4	Confident	40 Å²	40	70.7 Å²	70.7	26%	0.26	37%	0.369	S	S	.	.			trans	-62.5	150.7	172.7	24	-30.9	0	0	0	110.1	F572 L723 F724	F572-P721 HydrophobicContact CD2-CB 3.93Å; F572-P721 HydrophobicContact CE2-CB 4.05Å; F572-P721 HydrophobicContact CG-CB 4.17Å; F572-P721 HydrophobicContact CZ-CB 4.41Å; P721-L723 PolarHBondContact O-N 2.86Å; P721-F724 HydrophobicContact CG-CB 3.99Å; P721-F724 HydrophobicContact CG-CD2 4.28Å; P721-F724 WeakPolarHBondContact O-CA 3.05Å; P721-F724 WeakPolarHBondContact O-CB 3.4Å; P721-F724 PolarHBondContact O-N 2.81Å
722	V	70.4	Confident	74	Confident	128 Å²	128	77.4 Å²	77.4	78%	0.776	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.5	-174.9	178.1	0	0	0	0	112.9	F724	V722-F724 VanDerWaalsContact C-N 3.31Å; V722-F724 PolarHBondContact O-N 3.32Å
723	L	64.5	Low	72.4	Confident	91 Å²	91	85 Å²	85	48%	0.476	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	27.7	177.9	-56.9	175.6	0	0	0	112.9	R670 P721 K725 D726 V728	R670-L723 PolarHBondContact NH2-O 2.77Å; P721-L723 PolarHBondContact O-N 2.86Å; L723-K725 PolarHBondContact O-N 3.4Å; L723-D726 HydrophobicContact CB-CB 4.22Å; L723-D726 HydrophobicContact CD2-CB 4.28Å; L723-D726 PolarHBondContact O-N 3.41Å; L723-V728 HydrophobicContact CD2-CG2 4.06Å
724	F	58.7	Low	70.9	Confident	35 Å²	35	90.1 Å²	90.1	15%	0.154	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	122.3	178.3	-175.3	-107.8	0	0	0	110	A668 R670 D720 P721 V722 D726	A668-F724 HydrophobicContact CB-CD1 4.47Å; A668-F724 HydrophobicContact CB-CD2 3.47Å; A668-F724 VanDerWaalsContact CB-CD2 3.47Å; A668-F724 HydrophobicContact CB-CE1 4.28Å; A668-F724 HydrophobicContact CB-CE2 3.24Å; A668-F724 HydrophobicContact CB-CG 4.12Å; A668-F724 HydrophobicContact CB-CZ 3.7Å; R670-F724 HydrophobicContact CG-CD2 4.31Å; R670-F724 HydrophobicContact CG-CE2 4.15Å; D720-F724 HydrophobicContact CB-CB 3.71Å; D720-F724 HydrophobicContact CB-CD1 3.79Å; D720-F724 HydrophobicContact CB-CG 3.75Å; D720-F724 WeakPolarHBondContact OD2-CD1 3.06Å; D720-F724 WeakPolarHBondContact OD2-CE1 3.29Å; P721-F724 HydrophobicContact CG-CB 3.99Å; P721-F724 HydrophobicContact CG-CD2 4.28Å; P721-F724 WeakPolarHBondContact O-CA 3.05Å; P721-F724 WeakPolarHBondContact O-CB 3.4Å; P721-F724 PolarHBondContact O-N 2.81Å; V722-F724 VanDerWaalsContact C-N 3.31Å; V722-F724 PolarHBondContact O-N 3.32Å; F724-D726 PolarHBondContact O-N 3.32Å; F724-D726 VanDerWaalsContact O-N 3.09Å
725	K	57.4	Low	69.6	Low	168 Å²	168	92.1 Å²	92.1	73%	0.73	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	5.1	-170.4	-61.4	179.4	172.2	-175.7	0	115.8	L723 Q727	L723-K725 PolarHBondContact O-N 3.4Å; K725-Q727 PolarHBondContact O-N 2.76Å
726	D	58.7	Low	68.1	Low	75 Å²	75	98.4 Å²	98.4	40%	0.401	48%	0.476	S	S	.	.			trans	-69.9	128.1	178.2	-155.4	-17.1	0	0	0	110.1	L723 F724 V728	L723-D726 HydrophobicContact CB-CB 4.22Å; L723-D726 HydrophobicContact CD2-CB 4.28Å; L723-D726 PolarHBondContact O-N 3.41Å; F724-D726 PolarHBondContact O-N 3.32Å; F724-D726 VanDerWaalsContact O-N 3.09Å; D726-V728 HydrophobicContact CB-CG2 4.01Å; D726-V728 PolarHBondContact O-N 3.05Å; D726-V728 VanDerWaalsContact O-N 3.16Å; D726-V728 WeakPolarHBondContact OD1-CG2 3.46Å; D726-V728 VanDerWaalsContact OD2-CG2 3.26Å; D726-V728 WeakPolarHBondContact OD2-CG2 3.5Å
727	Q	55.3	Low	66.9	Low	120 Å²	120	98.2 Å²	98.2	56%	0.561	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	16.1	-179.6	-77.8	-161.6	11	0	0	111.8	K725 S729 V730 L731	K725-Q727 PolarHBondContact O-N 2.76Å; Q727-S729 PolarHBondContact O-N 3.27Å; Q727-V730 HydrophobicContact CB-CB 4.16Å; Q727-V730 HydrophobicContact CB-CG2 4.47Å; Q727-V730 CarbonylContact O-C 3.55Å; Q727-V730 WeakPolarHBondContact O-CA 3.33Å; Q727-V730 WeakPolarHBondContact O-CB 3.41Å; Q727-V730 PolarHBondContact O-N 3.43Å; Q727-L731 HydrophobicContact CB-CD1 4.49Å; Q727-L731 HydrophobicContact CB-CG 4.41Å; Q727-L731 PolarHBondContact O-N 3.12Å
728	V	62.8	Low	65.5	Low	41 Å²	41	101.5 Å²	101.5	25%	0.248	50%	0.496	C	S	.	.	H	α-helix	trans	-48.9	-35.9	-179.6	-178.8	0	0	0	0	112.6	L723 D726 R732	L723-V728 HydrophobicContact CD2-CG2 4.06Å; D726-V728 HydrophobicContact CB-CG2 4.01Å; D726-V728 PolarHBondContact O-N 3.05Å; D726-V728 VanDerWaalsContact O-N 3.16Å; D726-V728 WeakPolarHBondContact OD1-CG2 3.46Å; D726-V728 VanDerWaalsContact OD2-CG2 3.26Å; D726-V728 WeakPolarHBondContact OD2-CG2 3.5Å; V728-R732 HydrophobicContact CG1-CG 4.05Å; V728-R732 WeakPolarHBondContact O-CB 3.3Å; V728-R732 WeakPolarHBondContact O-CG 3.15Å; V728-R732 PolarHBondContact O-N 3.12Å
729	S	57.3	Low	64	Low	81 Å²	81	102.5 Å²	102.5	57%	0.566	51%	0.505	S	S	*	.	H	α-helix	trans	-70	-32.9	175	57.9	0	0	0	0	114	Q727 K733	Q727-S729 PolarHBondContact O-N 3.27Å; S729-K733 WeakPolarHBondContact O-CB 3.31Å; S729-K733 VanDerWaalsContact O-CG 3.32Å; S729-K733 WeakPolarHBondContact O-CG 3.43Å; S729-K733 PolarHBondContact O-N 3.45Å; S729-K733 VanDerWaalsContact O-N 3.14Å
730	V	60.7	Low	62.3	Low	80 Å²	80	110.6 Å²	110.6	49%	0.485	53%	0.532	S	S	.	.	H	α-helix	trans	-74.4	-41.7	173.3	-179.7	0	0	0	0	110.3	Q727 K733 K734	Q727-V730 HydrophobicContact CB-CB 4.16Å; Q727-V730 HydrophobicContact CB-CG2 4.47Å; Q727-V730 CarbonylContact O-C 3.55Å; Q727-V730 WeakPolarHBondContact O-CA 3.33Å; Q727-V730 WeakPolarHBondContact O-CB 3.41Å; Q727-V730 PolarHBondContact O-N 3.43Å; V730-K733 WeakPolarHBondContact O-CB 3.09Å; V730-K733 PolarHBondContact O-N 3.39Å; V730-K734 PolarHBondContact O-N 3.27Å
731	L	59.1	Low	60.4	Low	78 Å²	78	115.2 Å²	115.2	41%	0.408	58%	0.579	S	S	.	*	H	α-helix	trans	-67.2	-40.6	175.8	-67.7	170.3	0	0	0	111.4	Q727 K733 K734 Y735	Q727-L731 HydrophobicContact CB-CD1 4.49Å; Q727-L731 HydrophobicContact CB-CG 4.41Å; Q727-L731 PolarHBondContact O-N 3.12Å; L731-K733 VanDerWaalsContact C-N 3.33Å; L731-K733 PolarHBondContact O-N 3.41Å; L731-K734 CarbonylContact O-C 3.38Å; L731-K734 WeakPolarHBondContact O-CA 3.42Å; L731-K734 WeakPolarHBondContact O-CB 3.2Å; L731-K734 PolarHBondContact O-N 3.45Å; L731-Y735 HydrophobicContact CD2-CE2 4.47Å; L731-Y735 VanDerWaalsContact O-CD2 3.25Å; L731-Y735 WeakPolarHBondContact O-CD2 3.45Å; L731-Y735 PolarHBondContact O-N 3.04Å
732	R	62.2	Low	59.4	Low	143 Å²	143	119 Å²	119	54%	0.54	60%	0.595	S	S	.	*	H	α-helix	trans	-62.9	-38.3	172.1	-79.4	177.3	-179.8	-152.6	3.9	112.2	V728 K734 Y735 K736 E739	V728-R732 HydrophobicContact CG1-CG 4.05Å; V728-R732 WeakPolarHBondContact O-CB 3.3Å; V728-R732 WeakPolarHBondContact O-CG 3.15Å; V728-R732 PolarHBondContact O-N 3.12Å; R732-K734 VanDerWaalsContact C-N 3.27Å; R732-K734 PolarHBondContact O-N 3.23Å; R732-Y735 CarbonylContact O-C 3.3Å; R732-Y735 PolarHBondContact O-N 3.1Å; R732-K736 PolarHBondContact O-N 3.44Å; R732-E739 VanDerWaalsContact CD-OE1 3.25Å; R732-E739 WeakPolarHBondContact CD-OE1 3.39Å; R732-E739 IonicContact CZ-OE1 3.32Å; R732-E739 VanDerWaalsContact CZ-OE1 3.32Å; R732-E739 IonicContact NE-OE1 3.32Å; R732-E739 PolarHBondContact NE-OE1 2.94Å; R732-E739 IonicContact NH1-OE1 3.11Å; R732-E739 PolarHBondContact NH1-OE1 3.2Å; R732-E739 VanDerWaalsContact NH1-OE1 3.11Å
733	K	59.5	Low	58.8	Low	164 Å²	164	118.5 Å²	118.5	71%	0.713	59%	0.586	S	S	*	*	H	α-helix	trans	-65.3	-30.5	171.4	-79.8	179.1	179.1	-174.5	0	112.9	S729 V730 L731	S729-K733 WeakPolarHBondContact O-CB 3.31Å; S729-K733 VanDerWaalsContact O-CG 3.32Å; S729-K733 WeakPolarHBondContact O-CG 3.43Å; S729-K733 PolarHBondContact O-N 3.45Å; S729-K733 VanDerWaalsContact O-N 3.14Å; V730-K733 WeakPolarHBondContact O-CB 3.09Å; V730-K733 PolarHBondContact O-N 3.39Å; L731-K733 VanDerWaalsContact C-N 3.33Å; L731-K733 PolarHBondContact O-N 3.41Å
734	K	59.8	Low	58.5	Low	149 Å²	149	120.1 Å²	120.1	65%	0.648	59%	0.592	S	S	*	*	H	α-helix	trans	-77.5	-28.6	177.5	-168	176.7	-179.2	-177.8	0	112.7	V730 L731 R732	V730-K734 PolarHBondContact O-N 3.27Å; L731-K734 CarbonylContact O-C 3.38Å; L731-K734 WeakPolarHBondContact O-CA 3.42Å; L731-K734 WeakPolarHBondContact O-CB 3.2Å; L731-K734 PolarHBondContact O-N 3.45Å; R732-K734 VanDerWaalsContact C-N 3.27Å; R732-K734 PolarHBondContact O-N 3.23Å
735	Y	64.2	Low	58.5	Low	120 Å²	120	125.1 Å²	125.1	47%	0.471	62%	0.618	S	S	.	*			trans	-124.3	59	-178.5	-59.8	-74.6	0	0	0	111.8	L731 R732 D737 L738	L731-Y735 HydrophobicContact CD2-CE2 4.47Å; L731-Y735 VanDerWaalsContact O-CD2 3.25Å; L731-Y735 WeakPolarHBondContact O-CD2 3.45Å; L731-Y735 PolarHBondContact O-N 3.04Å; R732-Y735 CarbonylContact O-C 3.3Å; R732-Y735 PolarHBondContact O-N 3.1Å; Y735-D737 PolarHBondContact O-N 3.4Å; Y735-L738 HydrophobicContact CD1-CD1 4.39Å; Y735-L738 HydrophobicContact CG-CD1 4.2Å; Y735-L738 PolarHBondContact O-N 3.25Å
736	K	59	Low	58.6	Low	148 Å²	148	122.4 Å²	122.4	64%	0.643	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-60.1	-27.8	-179.4	-73.3	-178.2	179.1	178.6	0	113.4	R732 L738 E739	R732-K736 PolarHBondContact O-N 3.44Å; K736-L738 VanDerWaalsContact C-N 3.31Å; K736-L738 PolarHBondContact O-N 2.69Å; K736-E739 PolarHBondContact O-N 2.66Å
737	D	64.6	Low	58.6	Low	125 Å²	125	125.5 Å²	125.5	67%	0.668	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-77.7	-15.1	-175.4	-57	-45.1	0	0	0	113.5	Y735 E739 R740	Y735-D737 PolarHBondContact O-N 3.4Å; D737-E739 VanDerWaalsContact C-N 3.29Å; D737-E739 PolarHBondContact O-N 3.09Å; D737-R740 PolarHBondContact O-N 2.74Å
738	L	59.2	Low	58.8	Low	137 Å²	137	125.9 Å²	125.9	72%	0.717	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-75.1	-15.5	175.5	-94.9	158.6	0	0	0	113.3	Y735 K736	Y735-L738 HydrophobicContact CD1-CD1 4.39Å; Y735-L738 HydrophobicContact CG-CD1 4.2Å; Y735-L738 PolarHBondContact O-N 3.25Å; K736-L738 VanDerWaalsContact C-N 3.31Å; K736-L738 PolarHBondContact O-N 2.69Å
739	E	55.9	Low	58.5	Low	121 Å²	121	132.5 Å²	132.5	57%	0.565	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-98.4	2.2	175.9	-70	-173.4	161.8	0	0	112.9	R732 K736 D737	R732-E739 VanDerWaalsContact CD-OE1 3.25Å; R732-E739 WeakPolarHBondContact CD-OE1 3.39Å; R732-E739 IonicContact CZ-OE1 3.32Å; R732-E739 VanDerWaalsContact CZ-OE1 3.32Å; R732-E739 IonicContact NE-OE1 3.32Å; R732-E739 PolarHBondContact NE-OE1 2.94Å; R732-E739 IonicContact NH1-OE1 3.11Å; R732-E739 PolarHBondContact NH1-OE1 3.2Å; R732-E739 VanDerWaalsContact NH1-OE1 3.11Å; K736-E739 PolarHBondContact O-N 2.66Å; D737-E739 VanDerWaalsContact C-N 3.29Å; D737-E739 PolarHBondContact O-N 3.09Å
740	R	54	Low	58.6	Low	217 Å²	217	136.8 Å²	136.8	82%	0.819	67%	0.666	S	S	*	*			trans	-94.1	3.6	178.4	-85.2	-175.8	171	178.4	-4.7	114.6	D737	D737-R740 PolarHBondContact O-N 2.74Å
741	A	45.2	Very low	58.4	Low	159 Å²	159	141.9 Å²	141.9	100%	1.314	68%	0.682	S	S	*	*			trans	-94.2	0	177.9	0	0	0	0	0	111.9

Retrieved 741 of 741 residues in 148.1 ms (Link to these results)

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