A0A087XUB8_POEFO Loading...

Glycine receptor, alpha 3

AlphaFold DB , UniProt , Accession A0A087XUB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	36.8	Very low	248 Å²	248	145.7 Å²	145.7	100%	1.222	83%	0.828	S	S	*	*				0	172.3	0	-85.3	174.6	168.6	0	0	109.9
2	R	35.9	Very low	37.4	Very low	223 Å²	223	144.3 Å²	144.3	84%	0.842	82%	0.823	S	S	*	*			trans	-64.6	163.1	171.8	-66	176.2	179.4	169.6	-0.6	110.9
3	R	33.3	Very low	37.8	Very low	184 Å²	184	137.9 Å²	137.9	69%	0.694	81%	0.809	S	S	*	*			cis	-173.3	148.7	-13.2	-111.5	-177.2	172	179.5	-1.6	107.6
4	R	35.9	Very low	38.1	Very low	178 Å²	178	144.8 Å²	144.8	67%	0.672	82%	0.815	S	S	*	*			trans	59.9	159.7	140.9	-65.9	-169.2	152.6	174.1	-2.6	120.5
5	E	37	Very low	38.5	Very low	142 Å²	142	146.9 Å²	146.9	66%	0.664	81%	0.812	S	S	*	*			cis	-164	154.7	-27.5	-110.2	155.1	-163.4	0	0	108.8
6	A	36.6	Very low	39	Very low	96 Å²	96	146.1 Å²	146.1	79%	0.793	81%	0.805	S	S	*	*			trans	59.5	122	144.6	0	0	0	0	0	124.5
7	A	32.8	Very low	39.5	Very low	106 Å²	106	145.7 Å²	145.7	88%	0.876	80%	0.8	S	S	*	*				81.1	125.9	120.9	0	0	0	0	0	124.2
8	G	29.3	Very low	40	Very low	87 Å²	87	144.3 Å²	144.3	90%	0.897	79%	0.791	S	S	*	*			trans	107.1	147.5	133.3	0	0	0	0	0	118.1
9	G	33.3	Very low	40.4	Very low	69 Å²	69	143.2 Å²	143.2	71%	0.711	78%	0.783	S	S	*	*			trans	133.6	11.8	158.5	0	0	0	0	0	120.5	L11	G9-L11 VanDerWaalsContact C-N 3.33Å; G9-L11 PolarHBondContact O-N 3.33Å
10	A	47.1	Very low	40.7	Very low	106 Å²	106	141.2 Å²	141.2	88%	0.876	78%	0.775	S	S	*	*			trans	-74.3	69.2	-176.7	0	0	0	0	0	114.7
11	L	45	Very low	40.9	Very low	164 Å²	164	138.3 Å²	138.3	86%	0.859	77%	0.765	S	S	*	*			trans	-154.7	28.7	177.3	-146.5	81.1	0	0	0	117.8	G9	G9-L11 VanDerWaalsContact C-N 3.33Å; G9-L11 PolarHBondContact O-N 3.33Å
12	V	44.3	Very low	41.3	Very low	128 Å²	128	131.2 Å²	131.2	78%	0.776	74%	0.736	S	S	*	*			trans	-106.9	-20	-176.4	-171.3	0	0	0	0	114.4	W14	V12-W14 PolarHBondContact O-N 3.32Å
13	G	41.9	Very low	41.6	Very low	62 Å²	62	124.8 Å²	124.8	64%	0.639	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-23	-170.6	0	0	0	0	0	117.5
14	W	42.4	Very low	42	Very low	234 Å²	234	126.1 Å²	126.1	89%	0.886	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-14.5	-169.8	-84.8	-3.5	0	0	0	116.3	V12 L16	V12-W14 PolarHBondContact O-N 3.32Å; W14-L16 PolarHBondContact O-N 3.27Å
15	K	44.6	Very low	42.3	Very low	177 Å²	177	122.3 Å²	122.3	77%	0.77	73%	0.73	S	S	*	*	H	α-helix	trans	-77.1	-18.1	-178.1	-84.7	-173.2	172.2	-178.4	0	114.7
16	L	46.3	Very low	42.4	Very low	133 Å²	133	124 Å²	124	70%	0.696	74%	0.735	S	S	*	*	H	α-helix	trans	-86.8	-35	-175.8	-152.8	70	0	0	0	113.7	W14 L18	W14-L16 PolarHBondContact O-N 3.27Å; L16-L18 PolarHBondContact O-N 3.36Å
17	L	47.7	Very low	42.7	Very low	140 Å²	140	127.4 Å²	127.4	73%	0.733	73%	0.734	S	S	*	*	H	α-helix	trans	-66.6	-36.8	178	-97.7	85.6	0	0	0	113	L19 V20 S21	L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.95Å; L17-V20 PolarHBondContact O-N 3.02Å; L17-S21 PolarHBondContact O-N 2.8Å
18	L	47.8	Very low	43.2	Very low	121 Å²	121	129.6 Å²	129.6	63%	0.634	73%	0.731	S	S	*	*	H	α-helix	trans	-64.4	-35	-177.8	-84.2	162.3	0	0	0	112.9	L16 S21 V22	L16-L18 PolarHBondContact O-N 3.36Å; L18-S21 PolarHBondContact O-N 3.47Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 3.3Å
19	L	47.2	Very low	43.6	Very low	122 Å²	122	132.3 Å²	132.3	64%	0.639	72%	0.724	S	S	*	*	H	α-helix	trans	-72	-31.8	179.5	-79.1	163.9	0	0	0	113.3	L17 S23	L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.95Å; L19-S23 PolarHBondContact O-OG 3.01Å
20	V	47.2	Very low	43.8	Very low	103 Å²	103	132.5 Å²	132.5	62%	0.624	73%	0.726	S	S	*	*	H	α-helix	trans	-75.9	-32.6	176.7	-178.2	0	0	0	0	111.5	L17	L17-V20 PolarHBondContact O-N 3.02Å
21	S	44.9	Very low	43.5	Very low	82 Å²	82	131.6 Å²	131.6	57%	0.573	72%	0.719	S	S	*	*	H	α-helix	trans	-64.1	-45.2	176.1	-170.8	0	0	0	0	112.6	L17 L18 S23 R24 C25	L17-S21 PolarHBondContact O-N 2.8Å; L18-S21 PolarHBondContact O-N 3.47Å; S21-S23 PolarHBondContact O-N 3.34Å; S21-R24 PolarHBondContact O-N 3.1Å; S21-C25 PolarHBondContact O-N 2.95Å
22	V	46.7	Very low	43.4	Very low	99 Å²	99	127.6 Å²	127.6	60%	0.6	71%	0.709	S	S	*	*	H	α-helix	trans	-67.6	-36.7	-176.2	174.8	0	0	0	0	112.7	L18 R24 C25	L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 3.3Å; V22-R24 PolarHBondContact O-N 3.48Å; V22-C25 PolarHBondContact O-N 3.45Å
23	S	42	Very low	43.4	Very low	88 Å²	88	132.6 Å²	132.6	62%	0.615	71%	0.714	S	S	*	*	H	α-helix	trans	-68.8	-32	-179.9	-61.7	0	0	0	0	113.5	L19 S21	L19-S23 PolarHBondContact O-OG 3.01Å; S21-S23 PolarHBondContact O-N 3.34Å
24	R	43	Very low	43.5	Very low	211 Å²	211	135.3 Å²	135.3	80%	0.796	72%	0.718	S	S	*	*	H	α-helix	trans	-83.6	-14.6	178.2	-109.8	-178.4	179.6	178.2	0.5	114.3	S21 V22 K26	S21-R24 PolarHBondContact O-N 3.1Å; V22-R24 PolarHBondContact O-N 3.48Å; R24-K26 PolarHBondContact O-N 3.13Å
25	C	40.4	Very low	43.8	Very low	98 Å²	98	135.2 Å²	135.2	66%	0.662	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	23.1	174.4	-141.3	0	0	0	0	112.9	S21 V22	S21-C25 PolarHBondContact O-N 2.95Å; V22-C25 PolarHBondContact O-N 3.45Å
26	K	40	Very low	44.6	Very low	179 Å²	179	134.7 Å²	134.7	78%	0.778	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	0	-175.9	-137	178.3	-175.7	-177	0	115.4	R24	R24-K26 PolarHBondContact O-N 3.13Å
27	E	42.4	Very low	45.5	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	72%	0.718	S	S	*	*	S	Bend	trans	-116.7	7	178.7	-76.7	-176.7	133.2	0	0	113.9
28	L	42.8	Very low	46.6	Very low	152 Å²	152	131.3 Å²	131.3	80%	0.796	72%	0.72	S	S	*	*	S	Bend	trans	-113.5	-12.3	176.1	-81	167.6	0	0	0	115.1	G30	L28-G30 PolarHBondContact O-N 3.01Å
29	D	39.7	Very low	48.2	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	4.3	164.6	-76.5	-35.8	0	0	0	112.9	A31	D29-A31 PolarHBondContact O-N 3.07Å
30	G	37.3	Very low	50	Low	72 Å²	72	125.6 Å²	125.6	74%	0.742	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-17.7	172.4	0	0	0	0	0	113.8	L28 A32	L28-G30 PolarHBondContact O-N 3.01Å; G30-A32 PolarHBondContact O-N 3.18Å
31	A	39.5	Very low	51.8	Low	88 Å²	88	124.7 Å²	124.7	73%	0.727	69%	0.689	S	S	*	*	S	Bend	trans	-82	55	169.6	0	0	0	0	0	111.2	D29 R33	D29-A31 PolarHBondContact O-N 3.07Å; A31-R33 PolarHBondContact O-N 3.23Å
32	A	43.3	Very low	53.7	Low	79 Å²	79	124.7 Å²	124.7	65%	0.653	69%	0.688	S	S	*	*			trans	-58.3	102.9	173.7	0	0	0	0	0	109.2	G30 T34	G30-A32 PolarHBondContact O-N 3.18Å; A32-T34 PolarHBondContact O-N 3.35Å
33	R	44.1	Very low	55.6	Low	233 Å²	233	124.6 Å²	124.6	88%	0.879	68%	0.684	S	S	*	*			trans	-54.4	112.3	168.1	-82.1	180	167.6	169.3	-5.5	107.1	A31 R35	A31-R33 PolarHBondContact O-N 3.23Å; R33-R35 PolarHBondContact O-N 3.04Å
34	T	45.1	Very low	57.7	Low	119 Å²	119	120.5 Å²	120.5	73%	0.73	66%	0.656	S	S	*	*			trans	-64.4	78.5	166.1	37.7	0	0	0	0	108.6	A32 H36	A32-T34 PolarHBondContact O-N 3.35Å; T34-H36 PolarHBondContact O-CD2 3.29Å; T34-H36 PolarHBondContact O-N 3.16Å
35	R	48.5	Very low	59.8	Low	232 Å²	232	112.3 Å²	112.3	88%	0.875	63%	0.627	S	S	*	*			trans	-59.8	91.2	153.9	-73.3	-177.2	172.5	-179.3	-2	105.1	R33 A37	R33-R35 PolarHBondContact O-N 3.04Å; R35-A37 PolarHBondContact O-N 3.48Å; R35-A37 VanDerWaalsContact O-N 3.07Å
36	H	60.6	Low	62	Low	166 Å²	166	112.3 Å²	112.3	77%	0.769	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-48.6	120.6	164.9	-77.1	-96.8	0	0	0	106.2	T34	T34-H36 PolarHBondContact O-CD2 3.29Å; T34-H36 PolarHBondContact O-N 3.16Å
37	A	65.6	Low	64.2	Low	85 Å²	85	108.7 Å²	108.7	70%	0.702	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-55.8	135.7	166.5	0	0	0	0	0	106.6	R35 M39	R35-A37 PolarHBondContact O-N 3.48Å; R35-A37 VanDerWaalsContact O-N 3.07Å; A37-M39 PolarHBondContact O-N 3.31Å
38	P	70.4	Confident	66.3	Low	118 Å²	118	101.6 Å²	101.6	77%	0.766	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-54.5	138.6	173.4	24.8	-33.2	0	0	0	108.3
39	M	80.4	Confident	68.4	Low	77 Å²	77	95 Å²	95	38%	0.379	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-53.6	148	177.8	-170	166.1	-76.4	0	0	109.4	A37 D43 F44 K47 Y109	A37-M39 PolarHBondContact O-N 3.31Å; M39-D43 HydrophobicContact CG-CB 3.79Å; M39-D43 HydrophobicContact SD-CB 4.38Å; M39-F44 HydrophobicContact CG-CB 4.08Å; M39-F44 HydrophobicContact SD-CB 3.9Å; M39-F44 HydrophobicContact SD-CD2 4.42Å; M39-K47 HydrophobicContact CE-CD 4.4Å; M39-K47 HydrophobicContact SD-CD 4.25Å; M39-Y109 PolarHBondContact O-OH 3.44Å
40	S	86.6	Confident	70.4	Confident	45 Å²	45	88.9 Å²	88.9	32%	0.315	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-68.8	145.9	172.1	87.9	0	0	0	0	108.9	S42 D43 F44	S40-S42 PolarHBondContact O-N 2.95Å; S40-D43 VanDerWaalsContact CB-OD2 3.23Å; S40-D43 WeakPolarHBondContact CB-OD2 3.43Å; S40-D43 PolarHBondContact O-N 3.21Å; S40-D43 VanDerWaalsContact O-N 3.17Å; S40-D43 PolarHBondContact OG-N 3.32Å; S40-D43 VanDerWaalsContact OG-N 3.12Å; S40-D43 PolarHBondContact OG-OD2 2.95Å; S40-F44 PolarHBondContact O-N 3.46Å
41	P	85	Confident	72.2	Confident	85 Å²	85	97.9 Å²	97.9	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-55.3	-35.3	177.3	-27.8	36.1	0	0	0	112.6	F44 L45 Y109	P41-F44 PolarHBondContact O-N 3.04Å; P41-L45 VanDerWaalsContact O-CG 3.23Å; P41-L45 WeakPolarHBondContact O-CG 3.47Å; P41-L45 PolarHBondContact O-N 2.76Å; P41-Y109 WeakPolarHBondContact CA-OH 3.38Å
42	S	83.8	Confident	74.1	Confident	81 Å²	81	99.7 Å²	99.7	57%	0.566	52%	0.523	S	S	*	.	H	α-helix	trans	-64.1	-52.1	175.6	-50.8	0	0	0	0	112.2	S40 F44 L45 D46	S40-S42 PolarHBondContact O-N 2.95Å; S42-F44 PolarHBondContact O-N 3.34Å; S42-L45 PolarHBondContact O-N 2.99Å; S42-D46 PolarHBondContact O-N 3.1Å
43	D	86.6	Confident	76	Confident	97 Å²	97	98 Å²	98	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-34.7	179	-60.3	-54.3	0	0	0	111.5	M39 S40 K47	M39-D43 HydrophobicContact CG-CB 3.79Å; M39-D43 HydrophobicContact SD-CB 4.38Å; S40-D43 VanDerWaalsContact CB-OD2 3.23Å; S40-D43 WeakPolarHBondContact CB-OD2 3.43Å; S40-D43 PolarHBondContact O-N 3.21Å; S40-D43 VanDerWaalsContact O-N 3.17Å; S40-D43 PolarHBondContact OG-N 3.32Å; S40-D43 VanDerWaalsContact OG-N 3.12Å; S40-D43 PolarHBondContact OG-OD2 2.95Å; D43-K47 VanDerWaalsContact O-CB 3.23Å; D43-K47 WeakPolarHBondContact O-CB 3.36Å; D43-K47 PolarHBondContact O-N 3.07Å
44	F	87.6	Confident	78.1	Confident	3 Å²	3	90.4 Å²	90.4	1%	0.013	50%	0.5	C	S	.	.	H	α-helix	trans	-70	-45.2	176.7	172.3	-96.7	0	0	0	112.7	M39 S40 P41 S42 D46 K47 L48 Y106 E108 Y109 L114	M39-F44 HydrophobicContact CG-CB 4.08Å; M39-F44 HydrophobicContact SD-CB 3.9Å; M39-F44 HydrophobicContact SD-CD2 4.42Å; S40-F44 PolarHBondContact O-N 3.46Å; P41-F44 PolarHBondContact O-N 3.04Å; S42-F44 PolarHBondContact O-N 3.34Å; F44-D46 VanDerWaalsContact C-N 3.35Å; F44-K47 WeakPolarHBondContact O-CB 3.41Å; F44-K47 PolarHBondContact O-N 3.01Å; F44-L48 HydrophobicContact CE1-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CD2 4.08Å; F44-L48 WeakPolarHBondContact O-CB 3.38Å; F44-L48 PolarHBondContact O-N 3.27Å; F44-Y106 HydrophobicContact CE2-CG 4.37Å; F44-Y106 HydrophobicContact CZ-CD1 4.24Å; F44-Y106 HydrophobicContact CZ-CD2 4.21Å; F44-Y106 AromaticContact CZ-CG 3.76Å; F44-Y106 HydrophobicContact CZ-CG 3.76Å; F44-E108 HydrophobicContact CD2-CB 4.42Å; F44-E108 HydrophobicContact CE2-CB 4.38Å; F44-Y109 HydrophobicContact CB-CE2 3.71Å; F44-Y109 HydrophobicContact CD1-CD2 4.17Å; F44-Y109 AromaticContact CD1-CE2 3.81Å; F44-Y109 HydrophobicContact CD1-CE2 3.81Å; F44-Y109 AromaticContact CD2-CD2 3.86Å; F44-Y109 HydrophobicContact CD2-CD2 3.86Å; F44-Y109 AromaticContact CD2-CE2 3.65Å; F44-Y109 HydrophobicContact CD2-CE2 3.65Å; F44-Y109 HydrophobicContact CE1-CD2 4.28Å; F44-Y109 HydrophobicContact CE1-CE2 4.38Å; F44-Y109 AromaticContact CE2-CD2 3.96Å; F44-Y109 HydrophobicContact CE2-CD2 3.96Å; F44-Y109 HydrophobicContact CE2-CE2 4.22Å; F44-Y109 AromaticContact CG-CD2 3.97Å; F44-Y109 HydrophobicContact CG-CD2 3.97Å; F44-Y109 AromaticContact CG-CE2 3.42Å; F44-Y109 HydrophobicContact CG-CE2 3.42Å; F44-Y109 VanDerWaalsContact CG-CE2 3.42Å; F44-Y109 HydrophobicContact CZ-CD2 4.17Å; F44-L114 HydrophobicContact CD1-CD1 4.26Å; F44-L114 HydrophobicContact CE1-CD1 3.4Å; F44-L114 HydrophobicContact CZ-CD1 3.95Å
45	L	86.4	Confident	80.4	Confident	38 Å²	38	86.1 Å²	86.1	20%	0.199	47%	0.471	C	S	.	.	H	α-helix	trans	-67.7	-36.7	177.9	-66.2	171.9	0	0	0	111.4	P41 S42 L48 M49 G50 L116 M120	P41-L45 VanDerWaalsContact O-CG 3.23Å; P41-L45 WeakPolarHBondContact O-CG 3.47Å; P41-L45 PolarHBondContact O-N 2.76Å; S42-L45 PolarHBondContact O-N 2.99Å; L45-L48 PolarHBondContact O-N 3.19Å; L45-M49 HydrophobicContact CB-CE 4.23Å; L45-M49 HydrophobicContact CD2-CE 3.5Å; L45-M49 VanDerWaalsContact CD2-CE 3.5Å; L45-M49 HydrophobicContact CG-CE 4.43Å; L45-M49 PolarHBondContact O-N 3.46Å; L45-G50 PolarHBondContact O-N 2.95Å; L45-L116 HydrophobicContact CD1-CD2 4.4Å; L45-L116 HydrophobicContact CD2-CD1 4.25Å; L45-L116 HydrophobicContact CD2-CD2 3.6Å; L45-M120 HydrophobicContact CB-CE 4.3Å
46	D	85.6	Confident	82.5	Confident	98 Å²	98	77 Å²	77	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-66.4	-35.1	170.8	-89.3	-33.2	0	0	0	112.4	S42 F44 G50 T52	S42-D46 PolarHBondContact O-N 3.1Å; F44-D46 VanDerWaalsContact C-N 3.35Å; D46-G50 CarbonylContact O-C 3.52Å; D46-G50 WeakPolarHBondContact O-CA 3.2Å; D46-G50 PolarHBondContact O-N 3.45Å; D46-T52 PolarHBondContact O-OG1 2.96Å
47	K	86.9	Confident	84.1	Confident	103 Å²	103	70.5 Å²	70.5	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-66.7	-36.2	171.7	-177	-169.9	174	-171.7	0	112.5	M39 D43 F44 S53 E108	M39-K47 HydrophobicContact CE-CD 4.4Å; M39-K47 HydrophobicContact SD-CD 4.25Å; D43-K47 VanDerWaalsContact O-CB 3.23Å; D43-K47 WeakPolarHBondContact O-CB 3.36Å; D43-K47 PolarHBondContact O-N 3.07Å; F44-K47 WeakPolarHBondContact O-CB 3.41Å; F44-K47 PolarHBondContact O-N 3.01Å; K47-S53 WeakPolarHBondContact O-CA 3.45Å; K47-S53 WeakPolarHBondContact O-CB 3.47Å; K47-E108 IonicContact NZ-OE1 2.71Å; K47-E108 PolarHBondContact NZ-OE1 3Å
48	L	86.9	Confident	85.5	Confident	19 Å²	19	76.1 Å²	76.1	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-84.1	-38.9	-174.2	-165.1	68.7	0	0	0	113	F44 L45 L104	F44-L48 HydrophobicContact CE1-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CD2 4.08Å; F44-L48 WeakPolarHBondContact O-CB 3.38Å; F44-L48 PolarHBondContact O-N 3.27Å; L45-L48 PolarHBondContact O-N 3.19Å; L48-L104 HydrophobicContact CD2-CD2 4.35Å; L48-L104 HydrophobicContact CG-CD2 4.1Å
49	M	86.8	Confident	86.7	Confident	14 Å²	14	73.7 Å²	73.7	7%	0.069	40%	0.397	C	S	.	.	H	α-helix	trans	-134.8	-11.3	-171.3	-60.7	171	-73.8	0	0	113.8	L45 L104 L116 M120 I124 I151	L45-M49 HydrophobicContact CB-CE 4.23Å; L45-M49 HydrophobicContact CD2-CE 3.5Å; L45-M49 VanDerWaalsContact CD2-CE 3.5Å; L45-M49 HydrophobicContact CG-CE 4.43Å; L45-M49 PolarHBondContact O-N 3.46Å; M49-L104 HydrophobicContact CG-CD2 3.71Å; M49-L104 HydrophobicContact SD-CD2 4.26Å; M49-L116 HydrophobicContact CE-CD1 4.03Å; M49-M120 HydrophobicContact CE-CE 3.58Å; M49-M120 HydrophobicContact SD-CE 4.4Å; M49-I124 HydrophobicContact CG-CG2 4.11Å; M49-I124 HydrophobicContact SD-CG2 3.32Å; M49-I124 WeakPolarHBondContact SD-CG2 3.25Å; M49-I151 HydrophobicContact SD-CD1 4.47Å
50	G	80.9	Confident	87.4	Confident	15 Å²	15	70.5 Å²	70.5	16%	0.155	38%	0.381	C	S	.	.	S	Bend	trans	-76	178.8	178.6	0	0	0	0	0	113.2	L45 D46 T52 S53	L45-G50 PolarHBondContact O-N 2.95Å; D46-G50 CarbonylContact O-C 3.52Å; D46-G50 WeakPolarHBondContact O-CA 3.2Å; D46-G50 PolarHBondContact O-N 3.45Å; G50-T52 PolarHBondContact O-N 3.23Å; G50-S53 VanDerWaalsContact O-CB 3.3Å; G50-S53 WeakPolarHBondContact O-CB 3.4Å; G50-S53 PolarHBondContact O-N 3.3Å; G50-S53 PolarHBondContact O-OG 2.93Å
51	R	76.4	Confident	88	Confident	260 Å²	260	68.3 Å²	68.3	98%	0.981	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.8	-170.3	-63.8	-178.8	-178.5	176.9	1.2	115
52	T	78.9	Confident	88.5	Confident	127 Å²	127	67.9 Å²	67.9	78%	0.779	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.4	178.8	44.4	0	0	0	0	113.6	D46 G50	D46-T52 PolarHBondContact O-OG1 2.96Å; G50-T52 PolarHBondContact O-N 3.23Å
53	S	82.4	Confident	89	Confident	42 Å²	42	70 Å²	70	29%	0.294	36%	0.358	S	S	.	.	S	Bend	trans	-70.3	-29.6	-178.7	67	0	0	0	0	114.1	K47 G50 Y55	K47-S53 WeakPolarHBondContact O-CA 3.45Å; K47-S53 WeakPolarHBondContact O-CB 3.47Å; G50-S53 VanDerWaalsContact O-CB 3.3Å; G50-S53 WeakPolarHBondContact O-CB 3.4Å; G50-S53 PolarHBondContact O-N 3.3Å; G50-S53 PolarHBondContact O-OG 2.93Å; S53-Y55 WeakPolarHBondContact OG-CB 3.37Å; S53-Y55 PolarHBondContact OG-N 3.49Å
54	G	88	Confident	89.4	Confident	74 Å²	74	74.4 Å²	74.4	76%	0.763	37%	0.372	S	S	*	.			trans	75.3	6	-165.2	0	0	0	0	0	114.4
55	Y	93.9	Very high	89.8	Confident	30 Å²	30	75.9 Å²	75.9	12%	0.118	39%	0.389	C	S	.	.			trans	-67.5	138.7	174.1	-167.1	-83.9	0	0	0	111	S53 A57 D101 R103 L104 S123 W125	S53-Y55 WeakPolarHBondContact OG-CB 3.37Å; S53-Y55 PolarHBondContact OG-N 3.49Å; Y55-A57 HydrophobicContact CE1-CB 4.15Å; Y55-D101 WeakPolarHBondContact CE2-OD2 3.49Å; Y55-D101 PolarHBondContact OH-OD2 2.94Å; Y55-R103 HydrophobicContact CD2-CB 3.75Å; Y55-R103 HydrophobicContact CE2-CB 3.79Å; Y55-R103 PolarHBondContact OH-NH2 2.87Å; Y55-L104 HydrophobicContact CD2-CD2 3.94Å; Y55-L104 HydrophobicContact CE2-CD1 4.32Å; Y55-L104 HydrophobicContact CE2-CD2 3.56Å; Y55-L104 HydrophobicContact CE2-CG 3.81Å; Y55-S123 WeakPolarHBondContact CE1-O 3.28Å; Y55-W125 PolarHBondContact OH-N 3.28Å
56	D	93.5	Very high	90.3	Very high	40 Å²	40	78.3 Å²	78.3	21%	0.214	41%	0.407	C	S	.	.			trans	-131.8	108.9	173.4	-170.7	-19.1	0	0	0	109.4	R58 I59 R103	D56-R58 PolarHBondContact O-N 2.91Å; D56-R58 VanDerWaalsContact O-N 3.14Å; D56-R58 VanDerWaalsContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CB 3.42Å; D56-R58 WeakPolarHBondContact OD1-CG 3.45Å; D56-R58 IonicContact OD1-CZ 2.88Å; D56-R58 PolarHBondContact OD1-N 3.44Å; D56-R58 IonicContact OD1-NE 2.77Å; D56-R58 PolarHBondContact OD1-NE 2.92Å; D56-R58 IonicContact OD1-NH2 3.79Å; D56-R58 IonicContact OD2-CZ 3.36Å; D56-R58 IonicContact OD2-NE 3.97Å; D56-R58 PolarHBondContact OD2-NE 3.27Å; D56-R58 IonicContact OD2-NH2 2.99Å; D56-R58 PolarHBondContact OD2-NH2 3.42Å; D56-I59 HydrophobicContact CB-CD1 4.04Å; D56-I59 HydrophobicContact CB-CG1 4.12Å; D56-I59 PolarHBondContact O-N 3.05Å; D56-R103 PolarHBondContact O-NH1 3.44Å
57	A	93.8	Very high	90.9	Very high	30 Å²	30	75.3 Å²	75.3	25%	0.248	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.4	179.5	0	0	0	0	0	114	Y55 I59 W125	Y55-A57 HydrophobicContact CE1-CB 4.15Å; A57-I59 VanDerWaalsContact C-N 3.3Å; A57-W125 WeakPolarHBondContact O-CA 3.31Å; A57-W125 WeakPolarHBondContact O-CB 3.25Å
58	R	93.7	Very high	91.4	Very high	203 Å²	203	70.7 Å²	70.7	77%	0.766	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.6	176.8	-54.4	169.1	-64.5	179.2	4.8	112.4	D56	D56-R58 PolarHBondContact O-N 2.91Å; D56-R58 VanDerWaalsContact O-N 3.14Å; D56-R58 VanDerWaalsContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CB 3.42Å; D56-R58 WeakPolarHBondContact OD1-CG 3.45Å; D56-R58 IonicContact OD1-CZ 2.88Å; D56-R58 PolarHBondContact OD1-N 3.44Å; D56-R58 IonicContact OD1-NE 2.77Å; D56-R58 PolarHBondContact OD1-NE 2.92Å; D56-R58 IonicContact OD1-NH2 3.79Å; D56-R58 IonicContact OD2-CZ 3.36Å; D56-R58 IonicContact OD2-NE 3.97Å; D56-R58 PolarHBondContact OD2-NE 3.27Å; D56-R58 IonicContact OD2-NH2 2.99Å; D56-R58 PolarHBondContact OD2-NH2 3.42Å
59	I	95.8	Very high	92	Very high	66 Å²	66	73.3 Å²	73.3	34%	0.338	39%	0.387	S	S	.	.	S	Bend	trans	-104.6	124	-177.7	-57.1	-179.4	0	0	0	108.8	D56 A57 F63 R103	D56-I59 HydrophobicContact CB-CD1 4.04Å; D56-I59 HydrophobicContact CB-CG1 4.12Å; D56-I59 PolarHBondContact O-N 3.05Å; A57-I59 VanDerWaalsContact C-N 3.3Å; I59-F63 HydrophobicContact CG2-CB 3.66Å; I59-F63 HydrophobicContact CG2-CD1 4.12Å; I59-F63 HydrophobicContact CG2-CD2 4.43Å; I59-F63 HydrophobicContact CG2-CG 3.83Å; I59-R103 PolarHBondContact O-NH1 3.16Å; I59-R103 PolarHBondContact O-NH2 3.38Å
60	R	96.8	Very high	92.5	Very high	10 Å²	10	72.6 Å²	72.6	4%	0.038	38%	0.384	C	S	.	.			trans	-62.7	152.3	177.9	70.9	166.7	-176.7	92	-16.6	112.4	N62 F63 G65 P66 W125 Y192 D196	R60-N62 PolarHBondContact NH1-O 3.33Å; R60-N62 VanDerWaalsContact NH1-O 3.09Å; R60-F63 HydrophobicContact CG-CB 4.42Å; R60-F63 HydrophobicContact CG-CD2 4.39Å; R60-F63 PolarHBondContact O-N 3.2Å; R60-G65 PolarHBondContact NH2-O 2.92Å; R60-G65 VanDerWaalsContact NH2-O 3.1Å; R60-P66 PolarHBondContact NH1-O 3.01Å; R60-P66 PolarHBondContact NH2-O 2.92Å; R60-W125 HydrophobicContact CB-CD2 4.47Å; R60-W125 HydrophobicContact CB-CZ2 3.97Å; R60-Y192 HydrophobicContact CB-CE1 4.22Å; R60-D196 IonicContact CZ-OD1 3.63Å; R60-D196 IonicContact NE-OD1 2.74Å; R60-D196 PolarHBondContact NE-OD1 3.44Å; R60-D196 IonicContact NH2-OD1 2.71Å; R60-D196 PolarHBondContact NH2-OD1 3.38Å
61	P	97.4	Very high	93.3	Very high	0 Å²	0	74 Å²	74	0%	0	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	144.4	164.7	-25.1	31.8	0	0	0	111.9	F63 V68 N100 D101 W125	P61-F63 PolarHBondContact O-N 2.92Å; P61-V68 HydrophobicContact CB-CG2 3.91Å; P61-V68 HydrophobicContact CG-CG2 4.22Å; P61-V68 WeakPolarHBondContact O-CG2 3.46Å; P61-N100 WeakPolarHBondContact CB-O 3.34Å; P61-D101 HydrophobicContact CB-CB 4.29Å; P61-D101 HydrophobicContact CG-CB 3.8Å; P61-W125 VanDerWaalsContact CD-CD2 3.41Å; P61-W125 HydrophobicContact CG-CD2 4.32Å; P61-W125 HydrophobicContact CG-CE3 3.81Å; P61-W125 HydrophobicContact CG-CZ3 4.09Å
62	N	95.6	Very high	94.4	Very high	76 Å²	76	61.6 Å²	61.6	41%	0.406	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	36.1	177.5	-57.4	-38.7	0	0	0	114.4	R60 K64 G65	R60-N62 PolarHBondContact NH1-O 3.33Å; R60-N62 VanDerWaalsContact NH1-O 3.09Å; N62-K64 PolarHBondContact O-N 3.39Å; N62-G65 CarbonylContact O-C 3.57Å; N62-G65 WeakPolarHBondContact O-CA 3.27Å; N62-G65 PolarHBondContact O-N 3.48Å
63	F	95.1	Very high	95.3	Very high	126 Å²	126	55.7 Å²	55.7	55%	0.553	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	134.9	178.1	-179.1	-117	0	0	0	112.7	I59 R60 P61 G65	I59-F63 HydrophobicContact CG2-CB 3.66Å; I59-F63 HydrophobicContact CG2-CD1 4.12Å; I59-F63 HydrophobicContact CG2-CD2 4.43Å; I59-F63 HydrophobicContact CG2-CG 3.83Å; R60-F63 HydrophobicContact CG-CB 4.42Å; R60-F63 HydrophobicContact CG-CD2 4.39Å; R60-F63 PolarHBondContact O-N 3.2Å; P61-F63 PolarHBondContact O-N 2.92Å; F63-G65 PolarHBondContact O-N 3.48Å
64	K	94.5	Very high	96	Very high	188 Å²	188	53.7 Å²	53.7	82%	0.817	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-4.5	-166.5	-54.5	177.7	179	177.5	0	116.1	N62	N62-K64 PolarHBondContact O-N 3.39Å
65	G	95.7	Very high	96.5	Very high	35 Å²	35	52.2 Å²	52.2	36%	0.361	27%	0.267	S	S	.	.	S	Bend	trans	-95.3	-160.7	167.9	0	0	0	0	0	112.2	R60 N62 F63	R60-G65 PolarHBondContact NH2-O 2.92Å; R60-G65 VanDerWaalsContact NH2-O 3.1Å; N62-G65 CarbonylContact O-C 3.57Å; N62-G65 WeakPolarHBondContact O-CA 3.27Å; N62-G65 PolarHBondContact O-N 3.48Å; F63-G65 PolarHBondContact O-N 3.48Å
66	P	97.6	Very high	96.7	Very high	88 Å²	88	50.8 Å²	50.8	57%	0.571	26%	0.261	S	S	*	.	S	Bend	trans	-59.7	164.8	-177.6	27.1	-36.1	0	0	0	112.8	R60	R60-P66 PolarHBondContact NH1-O 3.01Å; R60-P66 PolarHBondContact NH2-O 2.92Å
67	P	97.8	Very high	96.8	Very high	36 Å²	36	51.8 Å²	51.8	23%	0.234	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57.1	155.7	169.8	24.5	-34.2	0	0	0	111.7	D196 I198	P67-D196 WeakPolarHBondContact CA-O 3.45Å; P67-I198 HydrophobicContact CB-CD1 4.08Å; P67-I198 HydrophobicContact CB-CG1 3.99Å; P67-I198 HydrophobicContact CG-CD1 3.68Å; P67-I198 HydrophobicContact CG-CG1 4.18Å
68	V	98.4	Very high	97	Very high	5 Å²	5	53 Å²	53	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.1	168.2	-176.3	0	0	0	0	108	P61 V70 W99 W125 D196 L197 I198	P61-V68 HydrophobicContact CB-CG2 3.91Å; P61-V68 HydrophobicContact CG-CG2 4.22Å; P61-V68 WeakPolarHBondContact O-CG2 3.46Å; V68-V70 HydrophobicContact CG1-CG2 4.27Å; V68-W99 HydrophobicContact CG1-CB 3.96Å; V68-W99 HydrophobicContact CG1-CG 4.43Å; V68-W125 HydrophobicContact CB-CH2 4.39Å; V68-W125 HydrophobicContact CG1-CH2 4.16Å; V68-W125 HydrophobicContact CG1-CZ3 4.26Å; V68-W125 HydrophobicContact CG2-CH2 4.49Å; V68-D196 PolarHBondContact N-O 2.95Å; V68-L197 HydrophobicContact CB-CD1 3.94Å; V68-L197 HydrophobicContact CG1-CD1 4.39Å; V68-I198 PolarHBondContact O-N 3.35Å
69	N	98.2	Very high	97.1	Very high	74 Å²	74	43.7 Å²	43.7	40%	0.396	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.1	167.8	-71.6	38.1	0	0	0	108.7	I198 E200	N69-I198 WeakPolarHBondContact CA-O 3.31Å; N69-E200 PolarHBondContact ND2-OE1 3.23Å; N69-E200 PolarHBondContact ND2-OE2 3.38Å
70	V	98.5	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.4	174.5	-171.6	0	0	0	0	108.4	V68 Q97 Q98 W99 P127 L197 I198 F199 E200	V68-V70 HydrophobicContact CG1-CG2 4.27Å; V70-Q97 HydrophobicContact CG1-CB 3.98Å; V70-Q97 HydrophobicContact CG1-CG 4.37Å; V70-Q98 CarbonylContact C-O 3.53Å; V70-Q98 VanDerWaalsContact CA-O 3.32Å; V70-Q98 WeakPolarHBondContact CA-O 3.46Å; V70-W99 HydrophobicContact CG2-CB 4.2Å; V70-P127 HydrophobicContact CG1-CG 4.12Å; V70-P127 HydrophobicContact CG2-CB 4.31Å; V70-P127 HydrophobicContact CG2-CG 3.78Å; V70-L197 HydrophobicContact CG2-CD1 3.6Å; V70-I198 PolarHBondContact N-O 2.96Å; V70-F199 HydrophobicContact CB-CD1 3.89Å; V70-F199 HydrophobicContact CB-CE1 4.23Å; V70-F199 HydrophobicContact CG2-CD1 4.19Å; V70-F199 HydrophobicContact CG2-CE1 4.16Å; V70-F199 WeakPolarHBondContact O-CA 3.38Å; V70-E200 PolarHBondContact O-N 3.44Å
71	S	98.2	Very high	97	Very high	44 Å²	44	44.3 Å²	44.3	31%	0.308	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.1	173.2	-52.6	0	0	0	0	109.7	Q98 E200	S71-Q98 PolarHBondContact N-O 2.86Å; S71-Q98 PolarHBondContact O-N 3.43Å; S71-E200 CarbonylContact C-O 3.5Å; S71-E200 WeakPolarHBondContact CA-O 3.37Å
72	C	98.3	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.4	-178.4	-66.3	0	0	0	0	111.9	R96 E200 W201 Q202 I241	C72-R96 WeakPolarHBondContact CA-O 3.43Å; C72-E200 PolarHBondContact N-O 2.63Å; C72-W201 HydrophobicContact CB-CE3 4.36Å; C72-W201 HydrophobicContact CB-CZ3 4.38Å; C72-Q202 WeakPolarHBondContact O-CB 3.47Å; C72-Q202 PolarHBondContact O-N 3.05Å; C72-I241 HydrophobicContact CB-CD1 3.64Å
73	N	97.6	Very high	97	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.011	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.1	170.6	155.9	-116.4	0	0	0	109.4	R96 Q202 G205 P206 Q208	N73-R96 HydrophobicContact CB-CB 4.27Å; N73-R96 PolarHBondContact N-O 2.99Å; N73-R96 PolarHBondContact O-N 2.95Å; N73-R96 VanDerWaalsContact OD1-CD 3.3Å; N73-R96 WeakPolarHBondContact OD1-CD 3.38Å; N73-R96 PolarHBondContact OD1-NH1 3.06Å; N73-Q202 HydrophobicContact CB-CB 4.29Å; N73-G205 PolarHBondContact ND2-O 2.96Å; N73-P206 CarbonylContact C-O 3.59Å; N73-P206 VanDerWaalsContact CA-O 3.29Å; N73-P206 WeakPolarHBondContact CA-O 3.5Å; N73-P206 PolarHBondContact ND2-O 3.33Å; N73-Q208 PolarHBondContact ND2-NE2 3.05Å; N73-Q208 VanDerWaalsContact ND2-NE2 3.11Å
74	I	98.1	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.7	172.4	60.7	173.4	0	0	0	111.4	I93 F94 L95 M185 W201 P206 V207 Q208 V243 F245	I74-I93 HydrophobicContact CG2-CD1 4.22Å; I74-F94 WeakPolarHBondContact CA-O 3.35Å; I74-L95 HydrophobicContact CG2-CD1 4.08Å; I74-M185 HydrophobicContact CD1-CE 4.33Å; I74-M185 HydrophobicContact CD1-SD 4.02Å; I74-W201 HydrophobicContact CG1-CZ3 4.48Å; I74-W201 HydrophobicContact CG2-CZ3 4.49Å; I74-P206 PolarHBondContact N-O 3Å; I74-V207 HydrophobicContact CD1-CG1 4.36Å; I74-V207 HydrophobicContact CD1-CG2 4.31Å; I74-V207 HydrophobicContact CG1-CB 4.42Å; I74-V207 HydrophobicContact CG1-CG1 4.27Å; I74-V207 HydrophobicContact CG1-CG2 4.15Å; I74-Q208 PolarHBondContact O-N 3.16Å; I74-V243 HydrophobicContact CD1-CG1 3.98Å; I74-F245 HydrophobicContact CD1-CZ 4.06Å
75	F	97.9	Very high	97	Very high	44 Å²	44	32.6 Å²	32.6	19%	0.193	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.9	165.8	178.4	-83.7	0	0	0	109.3	N77 I93 F94 Q208 A210	F75-N77 HydrophobicContact CD1-CB 4.13Å; F75-N77 HydrophobicContact CE1-CB 4Å; F75-N77 PolarHBondContact O-N 3.32Å; F75-I93 CarbonylContact O-C 3.57Å; F75-I93 WeakPolarHBondContact O-CA 3.29Å; F75-F94 HydrophobicContact CB-CB 4.25Å; F75-F94 HydrophobicContact CB-CD2 3.98Å; F75-F94 AromaticContact CD1-CD2 3.39Å; F75-F94 HydrophobicContact CD1-CD2 3.39Å; F75-F94 AromaticContact CD1-CE2 3.6Å; F75-F94 HydrophobicContact CD1-CE2 3.6Å; F75-F94 HydrophobicContact CD1-CG 4.42Å; F75-F94 HydrophobicContact CE1-CD2 4.16Å; F75-F94 AromaticContact CE1-CE2 3.9Å; F75-F94 HydrophobicContact CE1-CE2 3.9Å; F75-F94 AromaticContact CG-CD2 3.93Å; F75-F94 HydrophobicContact CG-CD2 3.93Å; F75-F94 HydrophobicContact CG-CE2 4.48Å; F75-F94 PolarHBondContact N-O 3.23Å; F75-F94 PolarHBondContact O-N 3.41Å; F75-Q208 CarbonylContact C-O 3.57Å; F75-Q208 WeakPolarHBondContact CA-O 3.4Å; F75-Q208 HydrophobicContact CB-CB 4.33Å; F75-Q208 HydrophobicContact CD2-CB 3.62Å; F75-Q208 HydrophobicContact CE2-CB 4.42Å; F75-Q208 HydrophobicContact CG-CB 4.38Å; F75-A210 HydrophobicContact CE1-CB 4.1Å; F75-A210 HydrophobicContact CZ-CB 3.85Å
76	I	97.9	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	97.5	-179.5	-56.3	-179.7	0	0	0	108.8	F79 I93 V207 Q208 V209 A210 L213 F245	I76-F79 HydrophobicContact CG2-CB 4.11Å; I76-F79 HydrophobicContact CG2-CD2 4.21Å; I76-I93 HydrophobicContact CG1-CG2 4.29Å; I76-V207 HydrophobicContact CD1-CG1 4.22Å; I76-Q208 PolarHBondContact N-O 3.3Å; I76-V209 HydrophobicContact CD1-CG2 4.45Å; I76-A210 WeakPolarHBondContact O-CB 3.41Å; I76-A210 PolarHBondContact O-N 2.8Å; I76-L213 HydrophobicContact CG2-CD2 3.95Å; I76-F245 HydrophobicContact CD1-CD1 4.26Å; I76-F245 HydrophobicContact CD1-CE1 3.45Å; I76-F245 VanDerWaalsContact CD1-CE1 3.45Å; I76-F245 HydrophobicContact CD1-CZ 3.76Å
77	N	96.8	Very high	96.9	Very high	60 Å²	60	32.9 Å²	32.9	32%	0.321	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-27.1	177	-178	63.8	0	0	0	112.3	F75 N92 F94	F75-N77 HydrophobicContact CD1-CB 4.13Å; F75-N77 HydrophobicContact CE1-CB 4Å; F75-N77 PolarHBondContact O-N 3.32Å; N77-N92 WeakPolarHBondContact CB-O 3.44Å; N77-N92 PolarHBondContact N-O 2.97Å; N77-N92 PolarHBondContact ND2-OD1 3.07Å; N77-F94 HydrophobicContact CB-CE2 4.35Å; N77-F94 HydrophobicContact CB-CZ 4.28Å
78	S	96.6	Very high	96.9	Very high	56 Å²	56	32.2 Å²	32.2	39%	0.392	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	147.2	169.6	-168.6	0	0	0	0	111	V91 N92	S78-V91 CarbonylContact O-C 3.2Å; S78-V91 WeakPolarHBondContact O-CA 3.29Å; S78-N92 PolarHBondContact N-O 2.87Å; S78-N92 PolarHBondContact O-N 2.85Å
79	F	97.1	Very high	96.9	Very high	7 Å²	7	32 Å²	32	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.7	172.9	-159.4	-66.6	0	0	0	106.6	I76 I82 Y89 V91 L213 L215 F245 L247	I76-F79 HydrophobicContact CG2-CB 4.11Å; I76-F79 HydrophobicContact CG2-CD2 4.21Å; F79-I82 HydrophobicContact CD1-CD1 4.38Å; F79-I82 HydrophobicContact CE1-CD1 4.04Å; F79-I82 HydrophobicContact CE1-CG1 4.19Å; F79-Y89 HydrophobicContact CD1-CD2 4.3Å; F79-Y89 AromaticContact CE1-CD2 3.5Å; F79-Y89 HydrophobicContact CE1-CD2 3.5Å; F79-Y89 HydrophobicContact CE1-CE2 4.07Å; F79-Y89 HydrophobicContact CE1-CG 4.33Å; F79-Y89 AromaticContact CE2-CD2 3.95Å; F79-Y89 HydrophobicContact CE2-CD2 3.95Å; F79-Y89 AromaticContact CE2-CE2 3.67Å; F79-Y89 HydrophobicContact CE2-CE2 3.67Å; F79-Y89 AromaticContact CZ-CD2 3.3Å; F79-Y89 HydrophobicContact CZ-CD2 3.3Å; F79-Y89 AromaticContact CZ-CE2 3.36Å; F79-Y89 HydrophobicContact CZ-CE2 3.36Å; F79-Y89 HydrophobicContact CZ-CG 4.32Å; F79-V91 HydrophobicContact CD2-CG1 3.58Å; F79-V91 HydrophobicContact CE2-CG1 3.87Å; F79-V91 HydrophobicContact CG-CG1 3.97Å; F79-V91 HydrophobicContact CZ-CG1 4.48Å; F79-L213 HydrophobicContact CB-CD2 3.97Å; F79-L215 HydrophobicContact CB-CD2 4.27Å; F79-L215 HydrophobicContact CD1-CD1 4.11Å; F79-L215 HydrophobicContact CD1-CD2 3.99Å; F79-L215 WeakPolarHBondContact O-CD2 3.33Å; F79-F245 HydrophobicContact CE2-CB 4.13Å; F79-F245 HydrophobicContact CE2-CD1 4.32Å; F79-F245 AromaticContact CE2-CD2 3.91Å; F79-F245 HydrophobicContact CE2-CD2 3.91Å; F79-F245 HydrophobicContact CE2-CE2 4.44Å; F79-F245 AromaticContact CE2-CG 3.83Å; F79-F245 HydrophobicContact CE2-CG 3.83Å; F79-F245 HydrophobicContact CZ-CB 4.19Å; F79-F245 HydrophobicContact CZ-CD2 4.38Å; F79-F245 HydrophobicContact CZ-CG 4.33Å; F79-L247 HydrophobicContact CE1-CD1 3.91Å; F79-L247 HydrophobicContact CE1-CD2 3.95Å; F79-L247 HydrophobicContact CZ-CD1 4Å; F79-L247 HydrophobicContact CZ-CD2 4.11Å
80	G	94.8	Very high	96.9	Very high	18 Å²	18	34.3 Å²	34.3	19%	0.186	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-160.1	-179.6	0	0	0	0	0	113.4	I82 R90	G80-I82 PolarHBondContact O-N 2.81Å; G80-R90 PolarHBondContact N-O 2.97Å; G80-R90 PolarHBondContact O-N 3.42Å
81	S	94.5	Very high	96.9	Very high	72 Å²	72	34.4 Å²	34.4	50%	0.503	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.6	34.6	-177.2	-54.1	0	0	0	0	113.4	A83 R90	S81-A83 PolarHBondContact O-N 3.1Å; S81-R90 PolarHBondContact OG-NE 3.15Å; S81-R90 PolarHBondContact OG-NH2 3.38Å
82	I	96.8	Very high	96.9	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.087	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.7	174	-57.6	157.9	0	0	0	107.1	F79 G80 M171 L215 F218 L247	F79-I82 HydrophobicContact CD1-CD1 4.38Å; F79-I82 HydrophobicContact CE1-CD1 4.04Å; F79-I82 HydrophobicContact CE1-CG1 4.19Å; G80-I82 PolarHBondContact O-N 2.81Å; I82-M171 HydrophobicContact CG2-CE 3.69Å; I82-L215 HydrophobicContact CD1-CD1 4.32Å; I82-F218 HydrophobicContact CB-CE2 4.03Å; I82-F218 HydrophobicContact CD1-CD2 3.45Å; I82-F218 VanDerWaalsContact CD1-CD2 3.45Å; I82-F218 HydrophobicContact CD1-CE2 3.79Å; I82-F218 HydrophobicContact CD1-CG 4.13Å; I82-F218 HydrophobicContact CG2-CE2 3.7Å; I82-F218 HydrophobicContact CG2-CZ 4.03Å; I82-L247 HydrophobicContact CD1-CD1 4.06Å
83	A	96.1	Very high	96.9	Very high	26 Å²	26	32.9 Å²	32.9	22%	0.215	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	109.8	-174.4	0	0	0	0	0	110.8	S81 T85 T86 M87 D88	S81-A83 PolarHBondContact O-N 3.1Å; A83-T85 VanDerWaalsContact C-N 3.28Å; A83-T85 PolarHBondContact O-N 3.2Å; A83-T86 VanDerWaalsContact CB-OG1 3.24Å; A83-T86 WeakPolarHBondContact CB-OG1 3.3Å; A83-M87 WeakPolarHBondContact O-CA 3.32Å; A83-M87 PolarHBondContact O-N 3Å; A83-D88 PolarHBondContact N-O 2.98Å; A83-D88 PolarHBondContact O-N 3.15Å
84	E	95.1	Very high	96.9	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.075	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-34.1	179.9	-67.3	75.2	-174	0	0	112.1	M171 L173 R249 L305 P306	E84-M171 HydrophobicContact CB-SD 4.34Å; E84-M171 HydrophobicContact CG-SD 3.92Å; E84-L173 HydrophobicContact CG-CD2 4.45Å; E84-R249 IonicContact OE1-CZ 3.74Å; E84-R249 VanDerWaalsContact OE1-CZ 3.29Å; E84-R249 IonicContact OE1-NH1 2.83Å; E84-R249 PolarHBondContact OE1-NH1 2.77Å; E84-R249 IonicContact OE1-NH2 2.64Å; E84-R249 PolarHBondContact OE1-NH2 3.15Å; E84-L305 HydrophobicContact CB-CD2 4.26Å; E84-L305 HydrophobicContact CG-CD2 4.3Å; E84-P306 VanDerWaalsContact O-CD 3.31Å; E84-P306 WeakPolarHBondContact O-CD 3.41Å; E84-P306 WeakPolarHBondContact O-CG 3.3Å
85	T	94.6	Very high	96.9	Very high	84 Å²	84	35.8 Å²	35.8	52%	0.515	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.4	-175.7	49.6	0	0	0	0	113.3	A83 S304	A83-T85 VanDerWaalsContact C-N 3.28Å; A83-T85 PolarHBondContact O-N 3.2Å; T85-S304 WeakPolarHBondContact CG2-O 3.47Å
86	T	96	Very high	97	Very high	76 Å²	76	36.7 Å²	36.7	47%	0.466	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-13.8	177.8	43.6	0	0	0	0	113	A83 D88 K135	A83-T86 VanDerWaalsContact CB-OG1 3.24Å; A83-T86 WeakPolarHBondContact CB-OG1 3.3Å; T86-D88 WeakPolarHBondContact CB-OD1 3.22Å; T86-D88 WeakPolarHBondContact CB-OD2 3.39Å; T86-D88 PolarHBondContact OG1-OD1 3.27Å; T86-K135 PolarHBondContact O-NZ 3.46Å
87	M	96.5	Very high	97	Very high	53 Å²	53	37 Å²	37	26%	0.261	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	56.1	-174.7	-66.6	-174.1	174.4	0	0	111.7	A83 K135 C169 P306	A83-M87 WeakPolarHBondContact O-CA 3.32Å; A83-M87 PolarHBondContact O-N 3Å; M87-K135 PolarHBondContact O-NZ 3.12Å; M87-C169 CarbonylContact C-O 3.45Å; M87-C169 WeakPolarHBondContact CB-O 3.42Å; M87-C169 PolarHBondContact O-N 2.91Å; M87-P306 HydrophobicContact CE-CB 4.1Å; M87-P306 HydrophobicContact CE-CG 3.85Å
88	D	97.8	Very high	97	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.118	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	169.8	173.7	38.5	50.8	0	0	0	112.9	A83 T86 K135 T166 L167	A83-D88 PolarHBondContact N-O 2.98Å; A83-D88 PolarHBondContact O-N 3.15Å; T86-D88 WeakPolarHBondContact CB-OD1 3.22Å; T86-D88 WeakPolarHBondContact CB-OD2 3.39Å; T86-D88 PolarHBondContact OG1-OD1 3.27Å; D88-K135 HydrophobicContact CB-CD 4.03Å; D88-K135 VanDerWaalsContact OD2-CD 3.27Å; D88-K135 WeakPolarHBondContact OD2-CD 3.22Å; D88-K135 IonicContact OD2-NZ 3.07Å; D88-K135 PolarHBondContact OD2-NZ 3.32Å; D88-T166 HydrophobicContact CB-CG2 4.19Å; D88-L167 WeakPolarHBondContact CA-O 3.37Å; D88-L167 WeakPolarHBondContact CB-O 3.4Å
89	Y	98.1	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.1	173.4	70.2	-70.3	0	0	0	109.3	F79 V91 L167 C169 C183 I184 F245	F79-Y89 HydrophobicContact CD1-CD2 4.3Å; F79-Y89 AromaticContact CE1-CD2 3.5Å; F79-Y89 HydrophobicContact CE1-CD2 3.5Å; F79-Y89 HydrophobicContact CE1-CE2 4.07Å; F79-Y89 HydrophobicContact CE1-CG 4.33Å; F79-Y89 AromaticContact CE2-CD2 3.95Å; F79-Y89 HydrophobicContact CE2-CD2 3.95Å; F79-Y89 AromaticContact CE2-CE2 3.67Å; F79-Y89 HydrophobicContact CE2-CE2 3.67Å; F79-Y89 AromaticContact CZ-CD2 3.3Å; F79-Y89 HydrophobicContact CZ-CD2 3.3Å; F79-Y89 AromaticContact CZ-CE2 3.36Å; F79-Y89 HydrophobicContact CZ-CE2 3.36Å; F79-Y89 HydrophobicContact CZ-CG 4.32Å; Y89-V91 HydrophobicContact CD2-CG1 3.78Å; Y89-V91 HydrophobicContact CE2-CG1 3.6Å; Y89-L167 HydrophobicContact CD1-CB 4.01Å; Y89-L167 VanDerWaalsContact CD1-O 3.3Å; Y89-L167 WeakPolarHBondContact CD1-O 3.26Å; Y89-L167 HydrophobicContact CE1-CB 3.46Å; Y89-L167 VanDerWaalsContact CE1-CB 3.46Å; Y89-L167 HydrophobicContact CE1-CD1 4.33Å; Y89-L167 HydrophobicContact CE2-CD1 4.24Å; Y89-L167 PolarHBondContact N-O 3.4Å; Y89-L167 PolarHBondContact O-N 3.13Å; Y89-L167 WeakPolarHBondContact OH-CD1 3.39Å; Y89-C169 HydrophobicContact CD1-CB 3.69Å; Y89-C169 HydrophobicContact CE1-CB 3.97Å; Y89-C183 HydrophobicContact CD1-CB 4Å; Y89-C183 HydrophobicContact CE1-CB 3.64Å; Y89-I184 PolarHBondContact OH-O 3.09Å; Y89-F245 HydrophobicContact CE2-CD2 4.4Å
90	R	98.3	Very high	97.2	Very high	123 Å²	123	37.2 Å²	37.2	46%	0.464	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.2	-178.8	-163.9	173.9	57.5	150.1	0.6	111.3	G80 S81 T164 L165	G80-R90 PolarHBondContact N-O 2.97Å; G80-R90 PolarHBondContact O-N 3.42Å; S81-R90 PolarHBondContact OG-NE 3.15Å; S81-R90 PolarHBondContact OG-NH2 3.38Å; R90-T164 HydrophobicContact CG-CG2 3.86Å; R90-L165 VanDerWaalsContact CA-O 3.3Å; R90-L165 WeakPolarHBondContact CA-O 3.46Å; R90-L165 WeakPolarHBondContact CG-O 3.22Å
91	V	98.1	Very high	97.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.7	176.8	-62.8	0	0	0	0	111.1	S78 F79 Y89 I93 T164 L165 L167 M185	S78-V91 CarbonylContact O-C 3.2Å; S78-V91 WeakPolarHBondContact O-CA 3.29Å; F79-V91 HydrophobicContact CD2-CG1 3.58Å; F79-V91 HydrophobicContact CE2-CG1 3.87Å; F79-V91 HydrophobicContact CG-CG1 3.97Å; F79-V91 HydrophobicContact CZ-CG1 4.48Å; Y89-V91 HydrophobicContact CD2-CG1 3.78Å; Y89-V91 HydrophobicContact CE2-CG1 3.6Å; V91-I93 HydrophobicContact CB-CG2 4.14Å; V91-I93 HydrophobicContact CG2-CG2 3.96Å; V91-T164 CarbonylContact O-C 3.53Å; V91-T164 VanDerWaalsContact O-CA 3.31Å; V91-T164 WeakPolarHBondContact O-CA 3.46Å; V91-L165 HydrophobicContact CG2-CB 3.91Å; V91-L165 HydrophobicContact CG2-CD1 4.39Å; V91-L165 HydrophobicContact CG2-CG 4.49Å; V91-L165 PolarHBondContact N-O 2.92Å; V91-L165 PolarHBondContact O-N 3.16Å; V91-L167 HydrophobicContact CG2-CD1 4.08Å; V91-M185 HydrophobicContact CG2-CE 3.92Å
92	N	98.1	Very high	97.4	Very high	12 Å²	12	36 Å²	36	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.6	162.9	-170.1	-121	0	0	0	107.4	N77 S78 H140 R162 L163 T164	N77-N92 WeakPolarHBondContact CB-O 3.44Å; N77-N92 PolarHBondContact N-O 2.97Å; N77-N92 PolarHBondContact ND2-OD1 3.07Å; S78-N92 PolarHBondContact N-O 2.87Å; S78-N92 PolarHBondContact O-N 2.85Å; N92-H140 PolarHBondContact ND2-CE1 2.95Å; N92-H140 VanDerWaalsContact ND2-CE1 3.28Å; N92-H140 PolarHBondContact ND2-NE2 3.07Å; N92-H140 VanDerWaalsContact ND2-NE2 3.11Å; N92-R162 PolarHBondContact OD1-NE 3.24Å; N92-R162 PolarHBondContact OD1-NH2 3.19Å; N92-R162 VanDerWaalsContact OD1-NH2 3.17Å; N92-L163 CarbonylContact C-O 3.51Å; N92-L163 WeakPolarHBondContact CA-O 3.2Å; N92-L163 PolarHBondContact ND2-O 3.41Å; N92-T164 PolarHBondContact ND2-OG1 3.38Å
93	I	98.2	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.6	-176.2	64.9	171.4	0	0	0	111.6	I74 F75 I76 V91 L95 F131 R162 L163 L165 M185	I74-I93 HydrophobicContact CG2-CD1 4.22Å; F75-I93 CarbonylContact O-C 3.57Å; F75-I93 WeakPolarHBondContact O-CA 3.29Å; I76-I93 HydrophobicContact CG1-CG2 4.29Å; V91-I93 HydrophobicContact CB-CG2 4.14Å; V91-I93 HydrophobicContact CG2-CG2 3.96Å; I93-L95 HydrophobicContact CD1-CB 4.3Å; I93-F131 HydrophobicContact CD1-CE1 4.32Å; I93-F131 HydrophobicContact CD1-CZ 4.03Å; I93-R162 WeakPolarHBondContact O-CA 3.4Å; I93-L163 HydrophobicContact CG1-CB 4.11Å; I93-L163 PolarHBondContact N-O 3.03Å; I93-L163 PolarHBondContact O-N 3.35Å; I93-L165 HydrophobicContact CD1-CD1 3.74Å; I93-L165 HydrophobicContact CG1-CD1 4.32Å; I93-M185 HydrophobicContact CD1-CE 4.33Å; I93-M185 HydrophobicContact CD1-SD 4.35Å; I93-M185 HydrophobicContact CG2-CE 4.27Å
94	F	98.3	Very high	97.3	Very high	58 Å²	58	37.8 Å²	37.8	25%	0.254	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.4	151.3	-47.8	-49.3	0	0	0	107.5	I74 F75 N77 I161 R162	I74-F94 WeakPolarHBondContact CA-O 3.35Å; F75-F94 HydrophobicContact CB-CB 4.25Å; F75-F94 HydrophobicContact CB-CD2 3.98Å; F75-F94 AromaticContact CD1-CD2 3.39Å; F75-F94 HydrophobicContact CD1-CD2 3.39Å; F75-F94 AromaticContact CD1-CE2 3.6Å; F75-F94 HydrophobicContact CD1-CE2 3.6Å; F75-F94 HydrophobicContact CD1-CG 4.42Å; F75-F94 HydrophobicContact CE1-CD2 4.16Å; F75-F94 AromaticContact CE1-CE2 3.9Å; F75-F94 HydrophobicContact CE1-CE2 3.9Å; F75-F94 AromaticContact CG-CD2 3.93Å; F75-F94 HydrophobicContact CG-CD2 3.93Å; F75-F94 HydrophobicContact CG-CE2 4.48Å; F75-F94 PolarHBondContact N-O 3.23Å; F75-F94 PolarHBondContact O-N 3.41Å; N77-F94 HydrophobicContact CB-CE2 4.35Å; N77-F94 HydrophobicContact CB-CZ 4.28Å; F94-I161 WeakPolarHBondContact CA-O 3.5Å; F94-R162 HydrophobicContact CD1-CB 3.87Å; F94-R162 HydrophobicContact CD1-CG 3.83Å; F94-R162 HydrophobicContact CE1-CB 4.09Å; F94-R162 HydrophobicContact CE1-CG 3.74Å
95	L	98.4	Very high	97.3	Very high	5 Å²	5	39 Å²	39	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.2	169.6	170	65.1	0	0	0	107.9	I74 I93 Q97 L129 F131 S160 I161 L163 L187	I74-L95 HydrophobicContact CG2-CD1 4.08Å; I93-L95 HydrophobicContact CD1-CB 4.3Å; L95-Q97 HydrophobicContact CD1-CG 4.39Å; L95-Q97 HydrophobicContact CG-CG 4.27Å; L95-L129 HydrophobicContact CD1-CD1 4.42Å; L95-L129 HydrophobicContact CD2-CD1 4.31Å; L95-L129 HydrophobicContact CD2-CD2 3.86Å; L95-F131 HydrophobicContact CD2-CE2 4.43Å; L95-F131 HydrophobicContact CD2-CZ 4.16Å; L95-S160 CarbonylContact O-C 3.56Å; L95-S160 VanDerWaalsContact O-CA 3.29Å; L95-S160 WeakPolarHBondContact O-CA 3.36Å; L95-I161 HydrophobicContact CB-CG2 4.16Å; L95-I161 HydrophobicContact CD2-CG2 4.35Å; L95-I161 PolarHBondContact N-O 3.32Å; L95-I161 PolarHBondContact O-N 3.36Å; L95-L163 HydrophobicContact CB-CD1 4.26Å; L95-L163 HydrophobicContact CD2-CD1 4.17Å; L95-L187 HydrophobicContact CD1-CD2 3.76Å
96	R	98.4	Very high	97.2	Very high	63 Å²	63	35.7 Å²	35.7	24%	0.238	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.4	174.1	-50.7	-165.1	-174	114.1	-7	109.5	C72 N73 L158 Y159	C72-R96 WeakPolarHBondContact CA-O 3.43Å; N73-R96 HydrophobicContact CB-CB 4.27Å; N73-R96 PolarHBondContact N-O 2.99Å; N73-R96 PolarHBondContact O-N 2.95Å; N73-R96 VanDerWaalsContact OD1-CD 3.3Å; N73-R96 WeakPolarHBondContact OD1-CD 3.38Å; N73-R96 PolarHBondContact OD1-NH1 3.06Å; R96-L158 HydrophobicContact CB-CD1 4.38Å; R96-Y159 CarbonylContact C-O 3.5Å; R96-Y159 WeakPolarHBondContact CA-O 3.24Å
97	Q	98.3	Very high	97	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.023	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.9	177.6	-66.5	179.3	76.7	0	0	108.7	V70 L95 W99 L129 Y159	V70-Q97 HydrophobicContact CG1-CB 3.98Å; V70-Q97 HydrophobicContact CG1-CG 4.37Å; L95-Q97 HydrophobicContact CD1-CG 4.39Å; L95-Q97 HydrophobicContact CG-CG 4.27Å; Q97-W99 HydrophobicContact CB-CE3 4.37Å; Q97-W99 HydrophobicContact CB-CZ3 4.15Å; Q97-L129 HydrophobicContact CG-CD1 4.28Å; Q97-Y159 PolarHBondContact N-O 3.05Å; Q97-Y159 PolarHBondContact O-N 3.29Å
98	Q	98.1	Very high	96.5	Very high	66 Å²	66	38.3 Å²	38.3	31%	0.308	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.7	177.7	-66.3	-177.2	72.2	0	0	110.2	V70 S71 V157 L158	V70-Q98 CarbonylContact C-O 3.53Å; V70-Q98 VanDerWaalsContact CA-O 3.32Å; V70-Q98 WeakPolarHBondContact CA-O 3.46Å; S71-Q98 PolarHBondContact N-O 2.86Å; S71-Q98 PolarHBondContact O-N 3.43Å; Q98-V157 WeakPolarHBondContact CA-O 3.17Å; Q98-L158 HydrophobicContact CG-CB 4.43Å; Q98-L158 HydrophobicContact CG-CD1 3.68Å
99	W	98.2	Very high	95.8	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	172.8	174.1	70.1	92.4	0	0	0	110.6	V68 V70 Q97 I124 W125 K126 P127 N156 V157 Y159	V68-W99 HydrophobicContact CG1-CB 3.96Å; V68-W99 HydrophobicContact CG1-CG 4.43Å; V70-W99 HydrophobicContact CG2-CB 4.2Å; Q97-W99 HydrophobicContact CB-CE3 4.37Å; Q97-W99 HydrophobicContact CB-CZ3 4.15Å; W99-I124 HydrophobicContact CZ2-CD1 4.44Å; W99-W125 AromaticContact CD1-CZ3 3.89Å; W99-W125 HydrophobicContact CD2-CZ3 4.25Å; W99-W125 HydrophobicContact CG-CZ3 4.19Å; W99-W125 HydrophobicContact CZ2-CE3 4.44Å; W99-W125 WeakPolarHBondContact CZ2-O 3.26Å; W99-W125 AromaticContact NE1-CE3 3.77Å; W99-W125 AromaticContact NE1-CZ3 3.79Å; W99-K126 HydrophobicContact CH2-CB 4.39Å; W99-P127 HydrophobicContact CD2-CG 4.3Å; W99-P127 HydrophobicContact CE3-CG 3.88Å; W99-P127 HydrophobicContact CZ3-CG 4.05Å; W99-N156 CarbonylContact O-C 3.48Å; W99-N156 WeakPolarHBondContact O-CA 3.32Å; W99-V157 HydrophobicContact CD2-CB 4.17Å; W99-V157 HydrophobicContact CH2-CB 4.33Å; W99-V157 HydrophobicContact CH2-CG1 3.8Å; W99-V157 HydrophobicContact CZ2-CB 3.86Å; W99-V157 HydrophobicContact CZ2-CG1 3.63Å; W99-V157 HydrophobicContact CZ2-CG2 4.3Å; W99-V157 HydrophobicContact CZ3-CG1 4.4Å; W99-V157 PolarHBondContact N-O 2.95Å; W99-V157 PolarHBondContact O-N 3.25Å; W99-Y159 HydrophobicContact CH2-CD1 4.47Å; W99-Y159 HydrophobicContact CH2-CG 4.47Å; W99-Y159 HydrophobicContact CZ3-CD1 4.36Å; W99-Y159 HydrophobicContact CZ3-CG 4.48Å
100	N	98.3	Very high	95.2	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.3	172.1	-174	-95.4	0	0	0	110.9	P61 P102 N154 N156	P61-N100 WeakPolarHBondContact CB-O 3.34Å; N100-P102 VanDerWaalsContact OD1-CD 3.28Å; N100-P102 WeakPolarHBondContact OD1-CD 3.3Å; N100-P102 WeakPolarHBondContact OD1-CG 3.33Å; N100-N154 PolarHBondContact ND2-O 2.91Å; N100-N156 PolarHBondContact ND2-N 3.31Å; N100-N156 PolarHBondContact ND2-OD1 3.1Å
101	D	97.8	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.			trans	-119.6	100.2	166.1	-170.4	-12.3	0	0	0	109.2	Y55 P61 R103 L104 G155	Y55-D101 WeakPolarHBondContact CE2-OD2 3.49Å; Y55-D101 PolarHBondContact OH-OD2 2.94Å; P61-D101 HydrophobicContact CB-CB 4.29Å; P61-D101 HydrophobicContact CG-CB 3.8Å; D101-R103 PolarHBondContact O-N 3.29Å; D101-R103 VanDerWaalsContact OD1-CB 3.31Å; D101-R103 WeakPolarHBondContact OD1-CB 3.48Å; D101-R103 WeakPolarHBondContact OD1-CG 3.28Å; D101-R103 IonicContact OD1-CZ 2.94Å; D101-R103 PolarHBondContact OD1-N 2.95Å; D101-R103 VanDerWaalsContact OD1-N 3.15Å; D101-R103 IonicContact OD1-NE 2.59Å; D101-R103 PolarHBondContact OD1-NE 3.34Å; D101-R103 IonicContact OD1-NH2 2.68Å; D101-R103 IonicContact OD2-CZ 2.66Å; D101-R103 IonicContact OD2-NE 2.77Å; D101-R103 PolarHBondContact OD2-NE 3.48Å; D101-R103 IonicContact OD2-NH2 2.95Å; D101-R103 PolarHBondContact OD2-NH2 2.65Å; D101-L104 HydrophobicContact CB-CB 4.45Å; D101-L104 HydrophobicContact CB-CD1 3.98Å; D101-L104 HydrophobicContact CB-CG 4.15Å; D101-L104 PolarHBondContact O-N 2.92Å; D101-G155 PolarHBondContact N-O 3.22Å; D101-G155 WeakPolarHBondContact O-CA 3.4Å
102	P	96.3	Very high	94.5	Very high	63 Å²	63	47.4 Å²	47.4	41%	0.409	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.9	-18.6	-179	-26.7	35	0	0	0	114.6	N100 L104	N100-P102 VanDerWaalsContact OD1-CD 3.28Å; N100-P102 WeakPolarHBondContact OD1-CD 3.3Å; N100-P102 WeakPolarHBondContact OD1-CG 3.33Å; P102-L104 VanDerWaalsContact C-N 3.27Å
103	R	95.5	Very high	94.3	Very high	81 Å²	81	48.6 Å²	48.6	31%	0.306	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-73.7	-19.3	176.9	-55.6	171.5	-68.6	-177.8	1.2	112.9	Y55 D56 I59 D101	Y55-R103 HydrophobicContact CD2-CB 3.75Å; Y55-R103 HydrophobicContact CE2-CB 3.79Å; Y55-R103 PolarHBondContact OH-NH2 2.87Å; D56-R103 PolarHBondContact O-NH1 3.44Å; I59-R103 PolarHBondContact O-NH1 3.16Å; I59-R103 PolarHBondContact O-NH2 3.38Å; D101-R103 PolarHBondContact O-N 3.29Å; D101-R103 VanDerWaalsContact OD1-CB 3.31Å; D101-R103 WeakPolarHBondContact OD1-CB 3.48Å; D101-R103 WeakPolarHBondContact OD1-CG 3.28Å; D101-R103 IonicContact OD1-CZ 2.94Å; D101-R103 PolarHBondContact OD1-N 2.95Å; D101-R103 VanDerWaalsContact OD1-N 3.15Å; D101-R103 IonicContact OD1-NE 2.59Å; D101-R103 PolarHBondContact OD1-NE 3.34Å; D101-R103 IonicContact OD1-NH2 2.68Å; D101-R103 IonicContact OD2-CZ 2.66Å; D101-R103 IonicContact OD2-NE 2.77Å; D101-R103 PolarHBondContact OD2-NE 3.48Å; D101-R103 IonicContact OD2-NH2 2.95Å; D101-R103 PolarHBondContact OD2-NH2 2.65Å
104	L	95.2	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-100.3	4.7	-179.3	-59.7	177.4	0	0	0	112.7	L48 M49 Y55 D101 P102 I124 I151 V157	L48-L104 HydrophobicContact CD2-CD2 4.35Å; L48-L104 HydrophobicContact CG-CD2 4.1Å; M49-L104 HydrophobicContact CG-CD2 3.71Å; M49-L104 HydrophobicContact SD-CD2 4.26Å; Y55-L104 HydrophobicContact CD2-CD2 3.94Å; Y55-L104 HydrophobicContact CE2-CD1 4.32Å; Y55-L104 HydrophobicContact CE2-CD2 3.56Å; Y55-L104 HydrophobicContact CE2-CG 3.81Å; D101-L104 HydrophobicContact CB-CB 4.45Å; D101-L104 HydrophobicContact CB-CD1 3.98Å; D101-L104 HydrophobicContact CB-CG 4.15Å; D101-L104 PolarHBondContact O-N 2.92Å; P102-L104 VanDerWaalsContact C-N 3.27Å; L104-I124 HydrophobicContact CD1-CB 4.49Å; L104-I124 HydrophobicContact CD1-CG2 4.05Å; L104-I124 HydrophobicContact CD2-CG2 4.39Å; L104-I151 HydrophobicContact CB-CD1 4.32Å; L104-I151 HydrophobicContact CB-CG2 4.08Å; L104-I151 HydrophobicContact CD1-CD1 4.07Å; L104-I151 WeakPolarHBondContact O-CG2 3.47Å; L104-V157 HydrophobicContact CD1-CG2 3.87Å
105	A	95	Very high	93.8	Very high	43 Å²	43	52 Å²	52	36%	0.355	29%	0.289	S	S	.	.			trans	-69.3	143.9	173.3	0	0	0	0	0	111.3	K153	A105-K153 VanDerWaalsContact CA-O 3.3Å; A105-K153 WeakPolarHBondContact CA-O 3.35Å; A105-K153 WeakPolarHBondContact CB-O 3.45Å
106	Y	93.1	Very high	93.4	Very high	13 Å²	13	52.8 Å²	52.8	5%	0.051	29%	0.293	C	S	.	.			trans	-144	155.8	-174.7	66.6	-93.6	0	0	0	112.8	F44 D111 D112 S113 L114 I151 K153	F44-Y106 HydrophobicContact CE2-CG 4.37Å; F44-Y106 HydrophobicContact CZ-CD1 4.24Å; F44-Y106 HydrophobicContact CZ-CD2 4.21Å; F44-Y106 AromaticContact CZ-CG 3.76Å; F44-Y106 HydrophobicContact CZ-CG 3.76Å; Y106-D111 WeakPolarHBondContact CE2-O 3.38Å; Y106-D111 PolarHBondContact OH-O 2.85Å; Y106-D112 PolarHBondContact OH-O 3.32Å; Y106-S113 VanDerWaalsContact OH-CA 3.31Å; Y106-S113 WeakPolarHBondContact OH-CA 3.43Å; Y106-S113 PolarHBondContact OH-N 3.11Å; Y106-L114 HydrophobicContact CD1-CD1 4.37Å; Y106-L114 HydrophobicContact CE1-CD1 3.96Å; Y106-L114 HydrophobicContact CE1-CG 4.18Å; Y106-L114 HydrophobicContact CE2-CD1 4.18Å; Y106-L114 HydrophobicContact CE2-CG 4.32Å; Y106-I151 HydrophobicContact CE1-CG2 4.31Å; Y106-K153 HydrophobicContact CD2-CG 4.03Å; Y106-K153 HydrophobicContact CE1-CG 4.37Å; Y106-K153 HydrophobicContact CE2-CB 4.36Å; Y106-K153 HydrophobicContact CE2-CG 3.42Å; Y106-K153 VanDerWaalsContact CE2-CG 3.42Å; Y106-K153 PolarHBondContact N-O 2.9Å
107	A	91	Very high	93.1	Very high	92 Å²	92	54.6 Å²	54.6	76%	0.76	31%	0.307	S	S	*	.			trans	-133.8	-6.8	-178.9	0	0	0	0	0	113.7
108	E	86.5	Confident	92.7	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	32%	0.316	S	S	.	.	S	Bend	trans	-79.2	-25.4	-173.5	-65.4	85.9	161.1	0	0	113.5	F44 K47	F44-E108 HydrophobicContact CD2-CB 4.42Å; F44-E108 HydrophobicContact CE2-CB 4.38Å; K47-E108 IonicContact NZ-OE1 2.71Å; K47-E108 PolarHBondContact NZ-OE1 3Å
109	Y	83.4	Confident	92.2	Very high	34 Å²	34	56.8 Å²	56.8	13%	0.133	33%	0.33	C	S	.	.	S	Bend	trans	-101.2	139.9	176.8	-80.6	-91.5	0	0	0	111.8	M39 P41 F44 D111 L114 K153	M39-Y109 PolarHBondContact O-OH 3.44Å; P41-Y109 WeakPolarHBondContact CA-OH 3.38Å; F44-Y109 HydrophobicContact CB-CE2 3.71Å; F44-Y109 HydrophobicContact CD1-CD2 4.17Å; F44-Y109 AromaticContact CD1-CE2 3.81Å; F44-Y109 HydrophobicContact CD1-CE2 3.81Å; F44-Y109 AromaticContact CD2-CD2 3.86Å; F44-Y109 HydrophobicContact CD2-CD2 3.86Å; F44-Y109 AromaticContact CD2-CE2 3.65Å; F44-Y109 HydrophobicContact CD2-CE2 3.65Å; F44-Y109 HydrophobicContact CE1-CD2 4.28Å; F44-Y109 HydrophobicContact CE1-CE2 4.38Å; F44-Y109 AromaticContact CE2-CD2 3.96Å; F44-Y109 HydrophobicContact CE2-CD2 3.96Å; F44-Y109 HydrophobicContact CE2-CE2 4.22Å; F44-Y109 AromaticContact CG-CD2 3.97Å; F44-Y109 HydrophobicContact CG-CD2 3.97Å; F44-Y109 AromaticContact CG-CE2 3.42Å; F44-Y109 HydrophobicContact CG-CE2 3.42Å; F44-Y109 VanDerWaalsContact CG-CE2 3.42Å; F44-Y109 HydrophobicContact CZ-CD2 4.17Å; Y109-D111 PolarHBondContact O-N 3.44Å; Y109-L114 HydrophobicContact CG-CD2 4.47Å; Y109-K153 VanDerWaalsContact O-CE 3.3Å; Y109-K153 WeakPolarHBondContact O-CE 3.49Å
110	P	85.8	Confident	91.8	Very high	104 Å²	104	58.4 Å²	58.4	68%	0.675	34%	0.338	S	S	*	.	S	Bend	trans	-73.1	-16.5	176.9	32.8	-35.8	0	0	0	112.5	K153	P110-K153 WeakPolarHBondContact O-CE 3.44Å; P110-K153 PolarHBondContact O-NZ 3.14Å
111	D	90.1	Very high	91.4	Very high	85 Å²	85	56 Å²	56	46%	0.455	33%	0.325	S	S	.	.	S	Bend	trans	-80.6	126.2	-173.9	-49	-74.3	0	0	0	111.8	Y106 Y109 S113 L114 K153	Y106-D111 WeakPolarHBondContact CE2-O 3.38Å; Y106-D111 PolarHBondContact OH-O 2.85Å; Y109-D111 PolarHBondContact O-N 3.44Å; D111-S113 PolarHBondContact O-N 3.1Å; D111-L114 HydrophobicContact CB-CD2 4.49Å; D111-K153 VanDerWaalsContact O-CE 3.26Å; D111-K153 WeakPolarHBondContact O-CE 3.41Å
112	D	91.4	Very high	91	Very high	116 Å²	116	62 Å²	62	62%	0.62	36%	0.357	S	S	*	.	S	Bend	trans	-65.3	-20.8	-174.3	-68.7	-39	0	0	0	114.2	Y106 F152 K153	Y106-D112 PolarHBondContact OH-O 3.32Å; D112-F152 WeakPolarHBondContact O-CA 3.32Å; D112-K153 PolarHBondContact O-N 3.41Å; D112-K153 VanDerWaalsContact O-N 3.1Å; D112-K153 WeakPolarHBondContact OD1-CE 3.39Å; D112-K153 IonicContact OD1-NZ 2.69Å; D112-K153 PolarHBondContact OD1-NZ 3.46Å
113	S	93.7	Very high	90.8	Very high	37 Å²	37	61.3 Å²	61.3	26%	0.259	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.2	171.2	66.9	0	0	0	0	112.5	Y106 D111 I151	Y106-S113 VanDerWaalsContact OH-CA 3.31Å; Y106-S113 WeakPolarHBondContact OH-CA 3.43Å; Y106-S113 PolarHBondContact OH-N 3.11Å; D111-S113 PolarHBondContact O-N 3.1Å; S113-I151 CarbonylContact C-O 3.5Å; S113-I151 VanDerWaalsContact CA-O 3.24Å; S113-I151 WeakPolarHBondContact CA-O 3.38Å
114	L	92.1	Very high	90.7	Very high	31 Å²	31	57.5 Å²	57.5	16%	0.162	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.7	171.5	-60.5	172.4	0	0	0	109.5	F44 Y106 Y109 D111 L116 R150 I151	F44-L114 HydrophobicContact CD1-CD1 4.26Å; F44-L114 HydrophobicContact CE1-CD1 3.4Å; F44-L114 HydrophobicContact CZ-CD1 3.95Å; Y106-L114 HydrophobicContact CD1-CD1 4.37Å; Y106-L114 HydrophobicContact CE1-CD1 3.96Å; Y106-L114 HydrophobicContact CE1-CG 4.18Å; Y106-L114 HydrophobicContact CE2-CD1 4.18Å; Y106-L114 HydrophobicContact CE2-CG 4.32Å; Y109-L114 HydrophobicContact CG-CD2 4.47Å; D111-L114 HydrophobicContact CB-CD2 4.49Å; L114-L116 HydrophobicContact CB-CD2 4.18Å; L114-R150 WeakPolarHBondContact O-CA 3.45Å; L114-I151 PolarHBondContact N-O 3.41Å; L114-I151 PolarHBondContact O-N 2.98Å
115	D	93	Very high	90.8	Very high	99 Å²	99	57.7 Å²	57.7	53%	0.529	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.1	164.8	-79.7	-45	0	0	0	109.2	R150	D115-R150 IonicContact OD1-CZ 3.2Å; D115-R150 VanDerWaalsContact OD1-CZ 3.24Å; D115-R150 IonicContact OD1-NE 2.73Å; D115-R150 PolarHBondContact OD1-NE 3.46Å; D115-R150 IonicContact OD1-NH2 3Å; D115-R150 PolarHBondContact OD1-NH2 2.99Å; D115-R150 IonicContact OD2-CZ 2.67Å; D115-R150 IonicContact OD2-NE 2.66Å; D115-R150 IonicContact OD2-NH2 3.29Å; D115-R150 PolarHBondContact OD2-NH2 3.49Å
116	L	91.2	Very high	90.9	Very high	22 Å²	22	59 Å²	59	12%	0.115	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.4	-175	-58.5	-173.9	0	0	0	111.8	L45 M49 L114 L149 I151	L45-L116 HydrophobicContact CD1-CD2 4.4Å; L45-L116 HydrophobicContact CD2-CD1 4.25Å; L45-L116 HydrophobicContact CD2-CD2 3.6Å; M49-L116 HydrophobicContact CE-CD1 4.03Å; L114-L116 HydrophobicContact CB-CD2 4.18Å; L116-L149 HydrophobicContact CB-CB 4.31Å; L116-L149 HydrophobicContact CB-CD2 4Å; L116-L149 HydrophobicContact CB-CG 4.08Å; L116-L149 HydrophobicContact CD1-CD2 3.94Å; L116-L149 HydrophobicContact CD1-CG 4.26Å; L116-L149 PolarHBondContact N-O 3.02Å; L116-I151 HydrophobicContact CD1-CD1 3.52Å; L116-I151 HydrophobicContact CD1-CG1 3.9Å
117	D	90.3	Very high	91.1	Very high	100 Å²	100	58.9 Å²	58.9	54%	0.535	34%	0.339	S	S	.	.			trans	-64.1	138.2	175.9	-174.6	-88.6	0	0	0	111.5	S119 M120	D117-S119 PolarHBondContact O-N 2.97Å; D117-S119 VanDerWaalsContact OD1-CB 3.23Å; D117-S119 WeakPolarHBondContact OD1-CB 3.49Å; D117-S119 PolarHBondContact OD1-N 2.95Å; D117-S119 PolarHBondContact OD1-OG 3.42Å; D117-M120 WeakPolarHBondContact O-CB 3.23Å; D117-M120 PolarHBondContact O-N 3.13Å
118	P	90.3	Very high	91.4	Very high	32 Å²	32	56.6 Å²	56.6	21%	0.208	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-51.7	-28	178.2	-33.1	39.3	0	0	0	116.1	M120 L121 D145 K147	P118-M120 PolarHBondContact O-N 2.86Å; P118-L121 HydrophobicContact CB-CD1 4.46Å; P118-L121 VanDerWaalsContact O-CB 3.28Å; P118-L121 WeakPolarHBondContact O-CB 3.3Å; P118-L121 PolarHBondContact O-N 2.73Å; P118-L121 VanDerWaalsContact O-N 3.12Å; P118-D145 HydrophobicContact CB-CB 4.17Å; P118-K147 HydrophobicContact CB-CB 4.13Å; P118-K147 HydrophobicContact CG-CB 4.33Å
119	S	88.5	Confident	92	Very high	85 Å²	85	53.6 Å²	53.6	59%	0.594	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.9	176.9	60.1	0	0	0	0	113.5	D117 L121	D117-S119 PolarHBondContact O-N 2.97Å; D117-S119 VanDerWaalsContact OD1-CB 3.23Å; D117-S119 WeakPolarHBondContact OD1-CB 3.49Å; D117-S119 PolarHBondContact OD1-N 2.95Å; D117-S119 PolarHBondContact OD1-OG 3.42Å; S119-L121 PolarHBondContact O-N 2.68Å
120	M	88.4	Confident	92.7	Very high	43 Å²	43	55 Å²	55	21%	0.212	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-74.4	-10.7	177	-60.7	-60.3	-69	0	0	113.4	L45 M49 D117 P118 D122 S123 L149	L45-M120 HydrophobicContact CB-CE 4.3Å; M49-M120 HydrophobicContact CE-CE 3.58Å; M49-M120 HydrophobicContact SD-CE 4.4Å; D117-M120 WeakPolarHBondContact O-CB 3.23Å; D117-M120 PolarHBondContact O-N 3.13Å; P118-M120 PolarHBondContact O-N 2.86Å; M120-D122 PolarHBondContact O-N 2.84Å; M120-D122 VanDerWaalsContact O-N 3.17Å; M120-S123 WeakPolarHBondContact O-CB 3.37Å; M120-S123 PolarHBondContact O-N 2.76Å; M120-L149 HydrophobicContact CB-CD2 4.38Å
121	L	90.3	Very high	93.3	Very high	4 Å²	4	51 Å²	51	2%	0.021	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-64.2	-18.5	-178	-80.3	164.1	0	0	0	114.4	P118 S119 I124 K126 K147 L149 Y159	P118-L121 HydrophobicContact CB-CD1 4.46Å; P118-L121 VanDerWaalsContact O-CB 3.28Å; P118-L121 WeakPolarHBondContact O-CB 3.3Å; P118-L121 PolarHBondContact O-N 2.73Å; P118-L121 VanDerWaalsContact O-N 3.12Å; S119-L121 PolarHBondContact O-N 2.68Å; L121-I124 HydrophobicContact CD2-CD1 4.22Å; L121-K126 PolarHBondContact O-NZ 2.73Å; L121-K147 HydrophobicContact CD1-CB 3.73Å; L121-K147 HydrophobicContact CD1-CD 3.72Å; L121-K147 HydrophobicContact CD1-CG 4.23Å; L121-L149 HydrophobicContact CD2-CB 3.98Å; L121-L149 HydrophobicContact CD2-CD1 4.02Å; L121-L149 HydrophobicContact CD2-CD2 3.95Å; L121-L149 HydrophobicContact CD2-CG 4.2Å; L121-L149 HydrophobicContact CG-CB 4.19Å; L121-L149 HydrophobicContact CG-CD2 4.12Å; L121-Y159 HydrophobicContact CD1-CD2 4.28Å; L121-Y159 HydrophobicContact CD1-CE2 3.75Å; L121-Y159 HydrophobicContact CD2-CD2 3.67Å; L121-Y159 HydrophobicContact CD2-CE2 3.76Å; L121-Y159 HydrophobicContact CD2-CG 4.44Å; L121-Y159 HydrophobicContact CG-CE2 4.45Å
122	D	89.8	Confident	93.6	Very high	125 Å²	125	48.7 Å²	48.7	67%	0.668	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-92.6	-7.5	175.2	-69.5	-35.7	0	0	0	113.7	M120 K126	M120-D122 PolarHBondContact O-N 2.84Å; M120-D122 VanDerWaalsContact O-N 3.17Å; D122-K126 IonicContact OD1-NZ 3.19Å; D122-K126 PolarHBondContact OD1-NZ 2.93Å
123	S	92.1	Very high	93.9	Very high	49 Å²	49	44.1 Å²	44.1	34%	0.343	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.4	170.2	-59.5	0	0	0	0	113.3	Y55 M120	Y55-S123 WeakPolarHBondContact CE1-O 3.28Å; M120-S123 WeakPolarHBondContact O-CB 3.37Å; M120-S123 PolarHBondContact O-N 2.76Å
124	I	94.6	Very high	94.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.254	C	S	.	.	S	Bend	trans	-110.5	153.9	177.4	66.1	167.9	0	0	0	113.1	M49 W99 L104 L121 L149 V157	M49-I124 HydrophobicContact CG-CG2 4.11Å; M49-I124 HydrophobicContact SD-CG2 3.32Å; M49-I124 WeakPolarHBondContact SD-CG2 3.25Å; W99-I124 HydrophobicContact CZ2-CD1 4.44Å; L104-I124 HydrophobicContact CD1-CB 4.49Å; L104-I124 HydrophobicContact CD1-CG2 4.05Å; L104-I124 HydrophobicContact CD2-CG2 4.39Å; L121-I124 HydrophobicContact CD2-CD1 4.22Å; I124-L149 HydrophobicContact CD1-CD1 3.58Å; I124-L149 HydrophobicContact CD1-CD2 3.87Å; I124-L149 HydrophobicContact CD1-CG 4.4Å; I124-V157 HydrophobicContact CD1-CG1 4.42Å
125	W	97.1	Very high	94.3	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.015	27%	0.267	C	S	.	.			trans	-66	140.1	163.4	179.8	90.5	0	0	0	109.8	Y55 A57 R60 P61 V68 W99 P127 Y192 L197	Y55-W125 PolarHBondContact OH-N 3.28Å; A57-W125 WeakPolarHBondContact O-CA 3.31Å; A57-W125 WeakPolarHBondContact O-CB 3.25Å; R60-W125 HydrophobicContact CB-CD2 4.47Å; R60-W125 HydrophobicContact CB-CZ2 3.97Å; P61-W125 VanDerWaalsContact CD-CD2 3.41Å; P61-W125 HydrophobicContact CG-CD2 4.32Å; P61-W125 HydrophobicContact CG-CE3 3.81Å; P61-W125 HydrophobicContact CG-CZ3 4.09Å; V68-W125 HydrophobicContact CB-CH2 4.39Å; V68-W125 HydrophobicContact CG1-CH2 4.16Å; V68-W125 HydrophobicContact CG1-CZ3 4.26Å; V68-W125 HydrophobicContact CG2-CH2 4.49Å; W99-W125 AromaticContact CD1-CZ3 3.89Å; W99-W125 HydrophobicContact CD2-CZ3 4.25Å; W99-W125 HydrophobicContact CG-CZ3 4.19Å; W99-W125 HydrophobicContact CZ2-CE3 4.44Å; W99-W125 WeakPolarHBondContact CZ2-O 3.26Å; W99-W125 AromaticContact NE1-CE3 3.77Å; W99-W125 AromaticContact NE1-CZ3 3.79Å; W125-P127 HydrophobicContact CH2-CB 4.27Å; W125-P127 HydrophobicContact CH2-CG 3.84Å; W125-P127 HydrophobicContact CZ3-CG 3.83Å; W125-Y192 HydrophobicContact CZ2-CE2 4.38Å; W125-Y192 AromaticContact NE1-CZ 3.68Å; W125-Y192 PolarHBondContact NE1-OH 3.22Å; W125-L197 HydrophobicContact CH2-CD1 3.81Å; W125-L197 HydrophobicContact CZ2-CD1 4.28Å
126	K	96.6	Very high	94.5	Very high	70 Å²	70	45.7 Å²	45.7	30%	0.304	25%	0.251	S	S	.	.			trans	-140	144.6	177	48.2	-179.6	174.1	-73.1	0	110.2	W99 L121 D122	W99-K126 HydrophobicContact CH2-CB 4.39Å; L121-K126 PolarHBondContact O-NZ 2.73Å; D122-K126 IonicContact OD1-NZ 3.19Å; D122-K126 PolarHBondContact OD1-NZ 2.93Å
127	P	97.8	Very high	94.7	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.071	26%	0.263	C	S	.	.			trans	-60.9	147.3	176.3	-20.4	31	0	0	0	112.5	V70 W99 W125 L129 L197 F199	V70-P127 HydrophobicContact CG1-CG 4.12Å; V70-P127 HydrophobicContact CG2-CB 4.31Å; V70-P127 HydrophobicContact CG2-CG 3.78Å; W99-P127 HydrophobicContact CD2-CG 4.3Å; W99-P127 HydrophobicContact CE3-CG 3.88Å; W99-P127 HydrophobicContact CZ3-CG 4.05Å; W125-P127 HydrophobicContact CH2-CB 4.27Å; W125-P127 HydrophobicContact CH2-CG 3.84Å; W125-P127 HydrophobicContact CZ3-CG 3.83Å; P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 2.87Å; P127-L197 HydrophobicContact CB-CD2 4.4Å; P127-F199 HydrophobicContact CB-CE1 4.21Å; P127-F199 HydrophobicContact CB-CZ 4.48Å
128	D	97	Very high	95	Very high	44 Å²	44	47.7 Å²	47.7	24%	0.235	26%	0.264	C	S	.	.			trans	-91.9	41.4	-176.2	68.5	-21.9	0	0	0	113	F130 S189 F190 G191 Y192 L197	D128-F130 PolarHBondContact O-N 3.48Å; D128-S189 VanDerWaalsContact CG-OG 3.32Å; D128-S189 WeakPolarHBondContact OD1-CB 3.39Å; D128-S189 PolarHBondContact OD1-OG 3.49Å; D128-S189 PolarHBondContact OD2-OG 3Å; D128-F190 PolarHBondContact OD2-N 2.93Å; D128-G191 WeakPolarHBondContact OD2-CA 3.22Å; D128-G191 PolarHBondContact OD2-N 2.85Å; D128-Y192 HydrophobicContact CB-CD2 4.46Å; D128-Y192 HydrophobicContact CB-CE2 4.43Å; D128-Y192 WeakPolarHBondContact OD1-CD2 3.46Å; D128-Y192 WeakPolarHBondContact OD2-CD2 3.26Å; D128-L197 WeakPolarHBondContact OD1-CD2 3.2Å
129	L	98.4	Very high	95.2	Very high	28 Å²	28	52.4 Å²	52.4	15%	0.147	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	121.7	-175.4	-169.3	159.1	0	0	0	111.3	L95 Q97 P127 F131 L187 E188 F199	L95-L129 HydrophobicContact CD1-CD1 4.42Å; L95-L129 HydrophobicContact CD2-CD1 4.31Å; L95-L129 HydrophobicContact CD2-CD2 3.86Å; Q97-L129 HydrophobicContact CG-CD1 4.28Å; P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 2.87Å; L129-F131 HydrophobicContact CD2-CE2 4.04Å; L129-F131 HydrophobicContact CD2-CZ 4.1Å; L129-L187 HydrophobicContact CD1-CB 4.27Å; L129-L187 HydrophobicContact CD1-CD2 4.08Å; L129-L187 HydrophobicContact CD2-CB 4.08Å; L129-L187 HydrophobicContact CD2-CD2 4.19Å; L129-L187 HydrophobicContact CD2-CG 4.22Å; L129-L187 HydrophobicContact CG-CB 4.27Å; L129-E188 WeakPolarHBondContact CA-O 3.38Å; L129-F199 HydrophobicContact CB-CE2 3.92Å; L129-F199 HydrophobicContact CB-CZ 3.76Å; L129-F199 HydrophobicContact CD1-CD2 4.25Å; L129-F199 HydrophobicContact CD1-CE2 3.81Å; L129-F199 HydrophobicContact CD1-CZ 4.07Å; L129-F199 HydrophobicContact CG-CD2 4.43Å; L129-F199 HydrophobicContact CG-CE2 3.62Å; L129-F199 HydrophobicContact CG-CZ 3.97Å
130	F	98.1	Very high	95.6	Very high	65 Å²	65	50.5 Å²	50.5	29%	0.285	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	169.2	170.1	82.1	-76.1	0	0	0	111.4	D128 A132 E188 F190	D128-F130 PolarHBondContact O-N 3.48Å; F130-A132 HydrophobicContact CE2-CB 4.21Å; F130-A132 HydrophobicContact CZ-CB 4.47Å; F130-E188 HydrophobicContact CD1-CB 4.19Å; F130-E188 WeakPolarHBondContact CD1-O 3.35Å; F130-E188 HydrophobicContact CE1-CB 3.66Å; F130-E188 HydrophobicContact CE1-CG 3.68Å; F130-E188 HydrophobicContact CZ-CB 3.95Å; F130-E188 HydrophobicContact CZ-CG 3.91Å; F130-E188 PolarHBondContact N-O 3.35Å; F130-E188 PolarHBondContact O-N 3.45Å; F130-F190 HydrophobicContact CD1-CB 3.72Å; F130-F190 HydrophobicContact CD1-CD2 4.09Å; F130-F190 HydrophobicContact CD1-CG 4.43Å; F130-F190 HydrophobicContact CE1-CB 3.91Å; F130-F190 AromaticContact CE1-CD2 3.93Å; F130-F190 HydrophobicContact CE1-CD2 3.93Å; F130-F190 HydrophobicContact CE1-CG 4.43Å; F130-F190 HydrophobicContact CG-CD2 4.48Å; F130-F190 HydrophobicContact CZ-CD2 4.18Å
131	F	98.4	Very high	95.8	Very high	19 Å²	19	54.7 Å²	54.7	8%	0.083	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.6	-179.5	-68.8	-88.8	0	0	0	110.3	I93 L95 L129 N133 E134 L163 L165 L167 M185 Q186 L187	I93-F131 HydrophobicContact CD1-CE1 4.32Å; I93-F131 HydrophobicContact CD1-CZ 4.03Å; L95-F131 HydrophobicContact CD2-CE2 4.43Å; L95-F131 HydrophobicContact CD2-CZ 4.16Å; L129-F131 HydrophobicContact CD2-CE2 4.04Å; L129-F131 HydrophobicContact CD2-CZ 4.1Å; F131-N133 VanDerWaalsContact C-N 3.28Å; F131-N133 PolarHBondContact O-N 3.37Å; F131-E134 HydrophobicContact CB-CB 3.77Å; F131-E134 WeakPolarHBondContact O-CB 3.37Å; F131-E134 PolarHBondContact O-N 2.88Å; F131-L163 HydrophobicContact CE2-CD1 3.61Å; F131-L163 HydrophobicContact CZ-CD1 4.02Å; F131-L165 HydrophobicContact CD1-CD1 3.71Å; F131-L165 HydrophobicContact CD2-CD1 3.94Å; F131-L165 HydrophobicContact CD2-CD2 3.92Å; F131-L165 HydrophobicContact CE1-CD1 3.51Å; F131-L165 HydrophobicContact CE2-CD1 3.78Å; F131-L165 HydrophobicContact CE2-CD2 4.08Å; F131-L165 HydrophobicContact CG-CD1 3.92Å; F131-L165 HydrophobicContact CG-CD2 4.42Å; F131-L165 HydrophobicContact CZ-CD1 3.55Å; F131-L167 HydrophobicContact CB-CD2 4.33Å; F131-M185 HydrophobicContact CD1-CG 3.85Å; F131-M185 HydrophobicContact CD1-SD 4.32Å; F131-M185 HydrophobicContact CE1-CG 3.93Å; F131-M185 HydrophobicContact CE1-SD 3.79Å; F131-Q186 CarbonylContact C-O 3.39Å; F131-Q186 VanDerWaalsContact CA-O 3.29Å; F131-Q186 WeakPolarHBondContact CA-O 3.33Å; F131-L187 HydrophobicContact CD1-CD1 4.5Å; F131-L187 HydrophobicContact CD1-CG 4.14Å; F131-L187 HydrophobicContact CE1-CD1 4.12Å; F131-L187 HydrophobicContact CE1-CD2 4.17Å; F131-L187 HydrophobicContact CE1-CG 3.67Å; F131-L187 HydrophobicContact CZ-CD2 4.49Å; F131-L187 HydrophobicContact CZ-CG 4.35Å
132	A	97.4	Very high	95.8	Very high	37 Å²	37	60.4 Å²	60.4	31%	0.306	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.6	-167.6	0	0	0	0	0	114.8	F130 Q186 E188	F130-A132 HydrophobicContact CE2-CB 4.21Å; F130-A132 HydrophobicContact CZ-CB 4.47Å; A132-Q186 HydrophobicContact CB-CB 3.94Å; A132-Q186 PolarHBondContact N-O 2.86Å; A132-E188 HydrophobicContact CB-CB 4.17Å; A132-E188 WeakPolarHBondContact CB-OE2 3.31Å
133	N	97.2	Very high	95.9	Very high	20 Å²	20	60.9 Å²	60.9	11%	0.107	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	24.4	177.4	71.8	-60	0	0	0	113.5	F131 S168 I184 Q186	F131-N133 VanDerWaalsContact C-N 3.28Å; F131-N133 PolarHBondContact O-N 3.37Å; N133-S168 PolarHBondContact ND2-O 2.9Å; N133-S168 WeakPolarHBondContact O-CB 3.4Å; N133-S168 PolarHBondContact O-N 3Å; N133-I184 PolarHBondContact ND2-O 3.04Å; N133-Q186 PolarHBondContact OD1-N 3.38Å
134	E	97.6	Very high	95.9	Very high	81 Å²	81	63.4 Å²	63.4	38%	0.379	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	152.3	179.2	176.8	-90.2	174.6	0	0	113.5	F131 G136 A137 L167	F131-E134 HydrophobicContact CB-CB 3.77Å; F131-E134 WeakPolarHBondContact O-CB 3.37Å; F131-E134 PolarHBondContact O-N 2.88Å; E134-G136 WeakPolarHBondContact OE1-CA 3.5Å; E134-G136 PolarHBondContact OE1-N 3.36Å; E134-A137 HydrophobicContact CG-CB 4.01Å; E134-A137 WeakPolarHBondContact OE1-CB 3.41Å; E134-A137 PolarHBondContact OE1-N 3.39Å; E134-L167 HydrophobicContact CB-CD2 4.09Å
135	K	97.1	Very high	95.8	Very high	100 Å²	100	66.1 Å²	66.1	44%	0.435	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-17.3	174.6	-65.8	-179.9	178.2	170.6	0	113.3	T86 M87 D88 T166 S168	T86-K135 PolarHBondContact O-NZ 3.46Å; M87-K135 PolarHBondContact O-NZ 3.12Å; D88-K135 HydrophobicContact CB-CD 4.03Å; D88-K135 VanDerWaalsContact OD2-CD 3.27Å; D88-K135 WeakPolarHBondContact OD2-CD 3.22Å; D88-K135 IonicContact OD2-NZ 3.07Å; D88-K135 PolarHBondContact OD2-NZ 3.32Å; K135-T166 PolarHBondContact N-O 2.88Å; K135-S168 WeakPolarHBondContact CE-OG 3.2Å
136	G	96.2	Very high	95.6	Very high	19 Å²	19	68 Å²	68	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	111.1	179.7	0	0	0	0	0	112.3	E134 T166	E134-G136 WeakPolarHBondContact OE1-CA 3.5Å; E134-G136 PolarHBondContact OE1-N 3.36Å; G136-T166 WeakPolarHBondContact O-CB 3.31Å; G136-T166 PolarHBondContact O-N 3.43Å; G136-T166 PolarHBondContact O-OG1 3.38Å
137	A	96.9	Very high	95.6	Very high	45 Å²	45	67.9 Å²	67.9	37%	0.372	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.9	-179.4	0	0	0	0	0	112.2	E134 T164 L165	E134-A137 HydrophobicContact CG-CB 4.01Å; E134-A137 WeakPolarHBondContact OE1-CB 3.41Å; E134-A137 PolarHBondContact OE1-N 3.39Å; A137-T164 CarbonylContact C-O 3.55Å; A137-T164 WeakPolarHBondContact CA-O 3.33Å; A137-L165 HydrophobicContact CB-CD2 3.6Å
138	H	94.9	Very high	95.5	Very high	119 Å²	119	70.5 Å²	70.5	55%	0.551	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.4	179.2	-54.3	-46.3	0	0	0	111.3	T164	H138-T164 PolarHBondContact N-O 3.05Å; H138-T164 PolarHBondContact O-N 3.46Å
139	F	95.9	Very high	95.5	Very high	131 Å²	131	68.4 Å²	68.4	58%	0.575	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	167	166.2	-57.6	-68.4	0	0	0	110.7	I161 L163	F139-I161 HydrophobicContact CD1-CD1 3.63Å; F139-I161 HydrophobicContact CD1-CG1 4.48Å; F139-I161 HydrophobicContact CE1-CD1 3.81Å; F139-L163 HydrophobicContact CD1-CD2 3.41Å; F139-L163 VanDerWaalsContact CD1-CD2 3.41Å; F139-L163 HydrophobicContact CE1-CD2 3.52Å
140	H	95.1	Very high	95.4	Very high	45 Å²	45	70.5 Å²	70.5	21%	0.208	37%	0.37	C	S	.	.			trans	-121	114.4	178	-68.6	-114	0	0	0	108.7	N92 N146 R162 T164	N92-H140 PolarHBondContact ND2-CE1 2.95Å; N92-H140 VanDerWaalsContact ND2-CE1 3.28Å; N92-H140 PolarHBondContact ND2-NE2 3.07Å; N92-H140 VanDerWaalsContact ND2-NE2 3.11Å; H140-N146 HydrophobicContact CB-CB 3.76Å; H140-N146 VanDerWaalsContact O-CB 3.32Å; H140-N146 WeakPolarHBondContact O-CB 3.28Å; H140-N146 PolarHBondContact O-N 3.09Å; H140-N146 PolarHBondContact O-ND2 3.5Å; H140-R162 HydrophobicContact CB-CB 4.45Å; H140-R162 HydrophobicContact CB-CG 4.42Å; H140-T164 PolarHBondContact CE1-OG1 3Å; H140-T164 VanDerWaalsContact CE1-OG1 3.31Å; H140-T164 PolarHBondContact NE2-N 3.1Å; H140-T164 PolarHBondContact NE2-OG1 2.93Å
141	E	93.4	Very high	95.3	Very high	130 Å²	130	67.5 Å²	67.5	61%	0.607	36%	0.357	S	S	*	.			trans	-114.3	3.4	-170.9	-63.9	166.5	-168.7	0	0	112.2	T143 T144	E141-T143 CarbonylContact O-C 3.59Å; E141-T144 CarbonylContact C-O 3.51Å; E141-T144 CarbonylContact O-C 3.26Å; E141-T144 VanDerWaalsContact O-C 3.26Å; E141-T144 WeakPolarHBondContact O-CA 3.45Å; E141-T144 PolarHBondContact O-N 3.27Å
142	V	91.4	Very high	95.2	Very high	124 Å²	124	69.7 Å²	69.7	75%	0.752	37%	0.367	S	S	*	.	S	Bend	trans	-108.6	131.6	-176	-177.7	0	0	0	0	110.3	T144 N146	V142-T144 VanDerWaalsContact C-N 3.26Å; V142-T144 PolarHBondContact N-O 3.12Å; V142-N146 PolarHBondContact O-ND2 3.44Å
143	T	91.5	Very high	95.1	Very high	136 Å²	136	71.1 Å²	71.1	83%	0.834	37%	0.366	S	S	*	.	S	Bend	cis	-76.5	-10	-10.8	47.7	0	0	0	0	113.6	E141	E141-T143 CarbonylContact O-C 3.59Å
144	T	91.8	Very high	95.1	Very high	101 Å²	101	74.4 Å²	74.4	62%	0.62	38%	0.383	S	S	*	.	S	Bend	trans	-142.7	170.3	171.7	52.8	0	0	0	0	108.1	E141 V142 N146	E141-T144 CarbonylContact C-O 3.51Å; E141-T144 CarbonylContact O-C 3.26Å; E141-T144 VanDerWaalsContact O-C 3.26Å; E141-T144 WeakPolarHBondContact O-CA 3.45Å; E141-T144 PolarHBondContact O-N 3.27Å; V142-T144 VanDerWaalsContact C-N 3.26Å; V142-T144 PolarHBondContact N-O 3.12Å; T144-N146 PolarHBondContact O-N 2.91Å; T144-N146 VanDerWaalsContact O-N 3.1Å; T144-N146 PolarHBondContact O-ND2 3Å
145	D	92.1	Very high	95	Very high	60 Å²	60	70.5 Å²	70.5	32%	0.321	37%	0.365	S	S	.	.			trans	-46.6	117	169.6	-82	24.9	0	0	0	111.9	P118 K147	P118-D145 HydrophobicContact CB-CB 4.17Å; D145-K147 HydrophobicContact CB-CD 3.97Å; D145-K147 HydrophobicContact CB-CG 4.13Å; D145-K147 PolarHBondContact O-N 3.34Å; D145-K147 WeakPolarHBondContact OD2-CD 3.14Å; D145-K147 WeakPolarHBondContact OD2-CE 3.31Å; D145-K147 IonicContact OD2-NZ 2.7Å; D145-K147 PolarHBondContact OD2-NZ 3.45Å
146	N	93.9	Very high	95	Very high	44 Å²	44	68.6 Å²	68.6	24%	0.235	36%	0.36	C	S	.	.			trans	-78.5	59.5	176.7	-71.5	-142.3	0	0	0	109.6	H140 V142 T144 R162	H140-N146 HydrophobicContact CB-CB 3.76Å; H140-N146 VanDerWaalsContact O-CB 3.32Å; H140-N146 WeakPolarHBondContact O-CB 3.28Å; H140-N146 PolarHBondContact O-N 3.09Å; H140-N146 PolarHBondContact O-ND2 3.5Å; V142-N146 PolarHBondContact O-ND2 3.44Å; T144-N146 PolarHBondContact O-N 2.91Å; T144-N146 VanDerWaalsContact O-N 3.1Å; T144-N146 PolarHBondContact O-ND2 3Å; N146-R162 HydrophobicContact CB-CB 3.65Å; N146-R162 PolarHBondContact O-N 3.11Å; N146-R162 WeakPolarHBondContact OD1-CD 3.48Å; N146-R162 PolarHBondContact OD1-NH1 3.24Å; N146-R162 VanDerWaalsContact OD1-NH1 3.1Å
147	K	95.8	Very high	95.1	Very high	66 Å²	66	67.7 Å²	67.7	29%	0.287	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.6	179.9	-59.3	171.8	-174	164.4	0	108.5	P118 L121 D145 S160 I161	P118-K147 HydrophobicContact CB-CB 4.13Å; P118-K147 HydrophobicContact CG-CB 4.33Å; L121-K147 HydrophobicContact CD1-CB 3.73Å; L121-K147 HydrophobicContact CD1-CD 3.72Å; L121-K147 HydrophobicContact CD1-CG 4.23Å; D145-K147 HydrophobicContact CB-CD 3.97Å; D145-K147 HydrophobicContact CB-CG 4.13Å; D145-K147 PolarHBondContact O-N 3.34Å; D145-K147 WeakPolarHBondContact OD2-CD 3.14Å; D145-K147 WeakPolarHBondContact OD2-CE 3.31Å; D145-K147 IonicContact OD2-NZ 2.7Å; D145-K147 PolarHBondContact OD2-NZ 3.45Å; K147-S160 CarbonylContact C-O 3.58Å; K147-S160 WeakPolarHBondContact CA-O 3.33Å; K147-I161 HydrophobicContact CD-CD1 4.39Å; K147-I161 HydrophobicContact CG-CD1 3.9Å; K147-I161 HydrophobicContact CG-CG1 4.02Å
148	L	95.9	Very high	95.1	Very high	66 Å²	66	67 Å²	67	35%	0.346	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.8	173.5	175.1	157.4	0	0	0	108.2	R150 L158 Y159 S160	L148-R150 HydrophobicContact CD2-CB 4.2Å; L148-L158 HydrophobicContact CD2-CD2 4.4Å; L148-L158 HydrophobicContact CD2-CG 4.41Å; L148-Y159 WeakPolarHBondContact O-CA 3.45Å; L148-S160 PolarHBondContact N-O 3.38Å; L148-S160 PolarHBondContact O-N 3.45Å
149	L	96.4	Very high	95.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.5	173.4	175.7	58.9	0	0	0	108.9	L116 M120 L121 I124 I151 V157	L116-L149 HydrophobicContact CB-CB 4.31Å; L116-L149 HydrophobicContact CB-CD2 4Å; L116-L149 HydrophobicContact CB-CG 4.08Å; L116-L149 HydrophobicContact CD1-CD2 3.94Å; L116-L149 HydrophobicContact CD1-CG 4.26Å; L116-L149 PolarHBondContact N-O 3.02Å; M120-L149 HydrophobicContact CB-CD2 4.38Å; L121-L149 HydrophobicContact CD2-CB 3.98Å; L121-L149 HydrophobicContact CD2-CD1 4.02Å; L121-L149 HydrophobicContact CD2-CD2 3.95Å; L121-L149 HydrophobicContact CD2-CG 4.2Å; L121-L149 HydrophobicContact CG-CB 4.19Å; L121-L149 HydrophobicContact CG-CD2 4.12Å; I124-L149 HydrophobicContact CD1-CD1 3.58Å; I124-L149 HydrophobicContact CD1-CD2 3.87Å; I124-L149 HydrophobicContact CD1-CG 4.4Å; L149-I151 HydrophobicContact CD1-CG1 4.49Å; L149-V157 HydrophobicContact CD1-CG1 3.56Å
150	R	96.6	Very high	95.3	Very high	73 Å²	73	57 Å²	57	28%	0.275	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129	174.2	178.4	176.6	-65.6	-177.8	-3.2	110.1	L114 D115 L148 F152 V157 L158	L114-R150 WeakPolarHBondContact O-CA 3.45Å; D115-R150 IonicContact OD1-CZ 3.2Å; D115-R150 VanDerWaalsContact OD1-CZ 3.24Å; D115-R150 IonicContact OD1-NE 2.73Å; D115-R150 PolarHBondContact OD1-NE 3.46Å; D115-R150 IonicContact OD1-NH2 3Å; D115-R150 PolarHBondContact OD1-NH2 2.99Å; D115-R150 IonicContact OD2-CZ 2.67Å; D115-R150 IonicContact OD2-NE 2.66Å; D115-R150 IonicContact OD2-NH2 3.29Å; D115-R150 PolarHBondContact OD2-NH2 3.49Å; L148-R150 HydrophobicContact CD2-CB 4.2Å; R150-F152 HydrophobicContact CG-CE2 4.09Å; R150-F152 HydrophobicContact CG-CZ 4.26Å; R150-V157 WeakPolarHBondContact O-CA 3.13Å; R150-L158 HydrophobicContact CB-CB 4.29Å; R150-L158 PolarHBondContact N-O 2.95Å; R150-L158 PolarHBondContact O-N 3.42Å
151	I	96.1	Very high	95.4	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.2	175.7	-54.7	-176.7	0	0	0	108.5	M49 L104 Y106 S113 L114 L116 L149 V157	M49-I151 HydrophobicContact SD-CD1 4.47Å; L104-I151 HydrophobicContact CB-CD1 4.32Å; L104-I151 HydrophobicContact CB-CG2 4.08Å; L104-I151 HydrophobicContact CD1-CD1 4.07Å; L104-I151 WeakPolarHBondContact O-CG2 3.47Å; Y106-I151 HydrophobicContact CE1-CG2 4.31Å; S113-I151 CarbonylContact C-O 3.5Å; S113-I151 VanDerWaalsContact CA-O 3.24Å; S113-I151 WeakPolarHBondContact CA-O 3.38Å; L114-I151 PolarHBondContact N-O 3.41Å; L114-I151 PolarHBondContact O-N 2.98Å; L116-I151 HydrophobicContact CD1-CD1 3.52Å; L116-I151 HydrophobicContact CD1-CG1 3.9Å; L149-I151 HydrophobicContact CD1-CG1 4.49Å; I151-V157 HydrophobicContact CG1-CG2 4.47Å
152	F	96.9	Very high	95.7	Very high	65 Å²	65	52.2 Å²	52.2	29%	0.285	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	154	175.6	-63.3	-97.2	0	0	0	110.9	D112 R150 N154 G155 N156 L158	D112-F152 WeakPolarHBondContact O-CA 3.32Å; R150-F152 HydrophobicContact CG-CE2 4.09Å; R150-F152 HydrophobicContact CG-CZ 4.26Å; F152-N154 WeakPolarHBondContact CB-OD1 3.36Å; F152-N154 PolarHBondContact O-N 3.15Å; F152-G155 PolarHBondContact O-N 2.77Å; F152-N156 HydrophobicContact CB-CB 4.18Å; F152-N156 HydrophobicContact CD2-CB 4.04Å; F152-N156 WeakPolarHBondContact CD2-O 3.24Å; F152-N156 HydrophobicContact CG-CB 4.43Å; F152-N156 PolarHBondContact N-O 2.88Å; F152-L158 HydrophobicContact CE2-CB 4.05Å
153	K	95.4	Very high	96	Very high	66 Å²	66	46.8 Å²	46.8	29%	0.287	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-36.9	-179.5	-78.1	176	-179.5	157.8	0	114.9	A105 Y106 Y109 P110 D111 D112 G155	A105-K153 VanDerWaalsContact CA-O 3.3Å; A105-K153 WeakPolarHBondContact CA-O 3.35Å; A105-K153 WeakPolarHBondContact CB-O 3.45Å; Y106-K153 HydrophobicContact CD2-CG 4.03Å; Y106-K153 HydrophobicContact CE1-CG 4.37Å; Y106-K153 HydrophobicContact CE2-CB 4.36Å; Y106-K153 HydrophobicContact CE2-CG 3.42Å; Y106-K153 VanDerWaalsContact CE2-CG 3.42Å; Y106-K153 PolarHBondContact N-O 2.9Å; Y109-K153 VanDerWaalsContact O-CE 3.3Å; Y109-K153 WeakPolarHBondContact O-CE 3.49Å; P110-K153 WeakPolarHBondContact O-CE 3.44Å; P110-K153 PolarHBondContact O-NZ 3.14Å; D111-K153 VanDerWaalsContact O-CE 3.26Å; D111-K153 WeakPolarHBondContact O-CE 3.41Å; D112-K153 PolarHBondContact O-N 3.41Å; D112-K153 VanDerWaalsContact O-N 3.1Å; D112-K153 WeakPolarHBondContact OD1-CE 3.39Å; D112-K153 IonicContact OD1-NZ 2.69Å; D112-K153 PolarHBondContact OD1-NZ 3.46Å; K153-G155 PolarHBondContact O-N 2.85Å
154	N	95.6	Very high	96.3	Very high	89 Å²	89	41.4 Å²	41.4	48%	0.476	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	6.5	-177.9	71	-19.6	0	0	0	114.7	N100 F152 N156	N100-N154 PolarHBondContact ND2-O 2.91Å; F152-N154 WeakPolarHBondContact CB-OD1 3.36Å; F152-N154 PolarHBondContact O-N 3.15Å; N154-N156 VanDerWaalsContact C-N 3.32Å; N154-N156 VanDerWaalsContact ND2-CG 3.33Å; N154-N156 PolarHBondContact ND2-ND2 3.13Å; N154-N156 VanDerWaalsContact ND2-ND2 3.17Å; N154-N156 PolarHBondContact ND2-OD1 3Å; N154-N156 VanDerWaalsContact OD1-CB 3.28Å; N154-N156 WeakPolarHBondContact OD1-CB 3.42Å; N154-N156 PolarHBondContact OD1-N 3.37Å
155	G	95.6	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	80.4	6.1	-175.7	0	0	0	0	0	114.2	D101 F152 K153	D101-G155 PolarHBondContact N-O 3.22Å; D101-G155 WeakPolarHBondContact O-CA 3.4Å; F152-G155 PolarHBondContact O-N 2.77Å; K153-G155 PolarHBondContact O-N 2.85Å
156	N	97.6	Very high	96.9	Very high	59 Å²	59	35.4 Å²	35.4	32%	0.316	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.6	167.9	-72.8	-1.3	0	0	0	109.5	W99 N100 F152 N154	W99-N156 CarbonylContact O-C 3.48Å; W99-N156 WeakPolarHBondContact O-CA 3.32Å; N100-N156 PolarHBondContact ND2-N 3.31Å; N100-N156 PolarHBondContact ND2-OD1 3.1Å; F152-N156 HydrophobicContact CB-CB 4.18Å; F152-N156 HydrophobicContact CD2-CB 4.04Å; F152-N156 WeakPolarHBondContact CD2-O 3.24Å; F152-N156 HydrophobicContact CG-CB 4.43Å; F152-N156 PolarHBondContact N-O 2.88Å; N154-N156 VanDerWaalsContact C-N 3.32Å; N154-N156 VanDerWaalsContact ND2-CG 3.33Å; N154-N156 PolarHBondContact ND2-ND2 3.13Å; N154-N156 VanDerWaalsContact ND2-ND2 3.17Å; N154-N156 PolarHBondContact ND2-OD1 3Å; N154-N156 VanDerWaalsContact OD1-CB 3.28Å; N154-N156 WeakPolarHBondContact OD1-CB 3.42Å; N154-N156 PolarHBondContact OD1-N 3.37Å
157	V	97.8	Very high	97.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127	175.7	-175.1	0	0	0	0	108.3	Q98 W99 L104 I124 L149 R150 I151	Q98-V157 WeakPolarHBondContact CA-O 3.17Å; W99-V157 HydrophobicContact CD2-CB 4.17Å; W99-V157 HydrophobicContact CH2-CB 4.33Å; W99-V157 HydrophobicContact CH2-CG1 3.8Å; W99-V157 HydrophobicContact CZ2-CB 3.86Å; W99-V157 HydrophobicContact CZ2-CG1 3.63Å; W99-V157 HydrophobicContact CZ2-CG2 4.3Å; W99-V157 HydrophobicContact CZ3-CG1 4.4Å; W99-V157 PolarHBondContact N-O 2.95Å; W99-V157 PolarHBondContact O-N 3.25Å; L104-V157 HydrophobicContact CD1-CG2 3.87Å; I124-V157 HydrophobicContact CD1-CG1 4.42Å; L149-V157 HydrophobicContact CD1-CG1 3.56Å; R150-V157 WeakPolarHBondContact O-CA 3.13Å; I151-V157 HydrophobicContact CG1-CG2 4.47Å
158	L	97.8	Very high	97.2	Very high	29 Å²	29	32 Å²	32	15%	0.152	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116	165	168.7	66.2	0	0	0	108.2	R96 Q98 L148 R150 F152	R96-L158 HydrophobicContact CB-CD1 4.38Å; Q98-L158 HydrophobicContact CG-CB 4.43Å; Q98-L158 HydrophobicContact CG-CD1 3.68Å; L148-L158 HydrophobicContact CD2-CD2 4.4Å; L148-L158 HydrophobicContact CD2-CG 4.41Å; R150-L158 HydrophobicContact CB-CB 4.29Å; R150-L158 PolarHBondContact N-O 2.95Å; R150-L158 PolarHBondContact O-N 3.42Å; F152-L158 HydrophobicContact CE2-CB 4.05Å
159	Y	97.6	Very high	97.3	Very high	23 Å²	23	29 Å²	29	9%	0.09	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.9	171.3	172.7	-136.9	0	0	0	109	R96 Q97 W99 L121 L148 I161	R96-Y159 CarbonylContact C-O 3.5Å; R96-Y159 WeakPolarHBondContact CA-O 3.24Å; Q97-Y159 PolarHBondContact N-O 3.05Å; Q97-Y159 PolarHBondContact O-N 3.29Å; W99-Y159 HydrophobicContact CH2-CD1 4.47Å; W99-Y159 HydrophobicContact CH2-CG 4.47Å; W99-Y159 HydrophobicContact CZ3-CD1 4.36Å; W99-Y159 HydrophobicContact CZ3-CG 4.48Å; L121-Y159 HydrophobicContact CD1-CD2 4.28Å; L121-Y159 HydrophobicContact CD1-CE2 3.75Å; L121-Y159 HydrophobicContact CD2-CD2 3.67Å; L121-Y159 HydrophobicContact CD2-CE2 3.76Å; L121-Y159 HydrophobicContact CD2-CG 4.44Å; L121-Y159 HydrophobicContact CG-CE2 4.45Å; L148-Y159 WeakPolarHBondContact O-CA 3.45Å; Y159-I161 HydrophobicContact CE1-CG2 4.39Å; Y159-I161 HydrophobicContact CE2-CB 4.19Å; Y159-I161 WeakPolarHBondContact OH-CD1 3.3Å
160	S	97.9	Very high	97.3	Very high	18 Å²	18	33.8 Å²	33.8	13%	0.126	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	175.5	175	0	0	0	0	110.3	L95 K147 L148	L95-S160 CarbonylContact O-C 3.56Å; L95-S160 VanDerWaalsContact O-CA 3.29Å; L95-S160 WeakPolarHBondContact O-CA 3.36Å; K147-S160 CarbonylContact C-O 3.58Å; K147-S160 WeakPolarHBondContact CA-O 3.33Å; L148-S160 PolarHBondContact N-O 3.38Å; L148-S160 PolarHBondContact O-N 3.45Å
161	I	97.4	Very high	97.2	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.041	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139	179.9	-174.5	164.4	0	0	0	111.7	F94 L95 F139 K147 Y159 L163	F94-I161 WeakPolarHBondContact CA-O 3.5Å; L95-I161 HydrophobicContact CB-CG2 4.16Å; L95-I161 HydrophobicContact CD2-CG2 4.35Å; L95-I161 PolarHBondContact N-O 3.32Å; L95-I161 PolarHBondContact O-N 3.36Å; F139-I161 HydrophobicContact CD1-CD1 3.63Å; F139-I161 HydrophobicContact CD1-CG1 4.48Å; F139-I161 HydrophobicContact CE1-CD1 3.81Å; K147-I161 HydrophobicContact CD-CD1 4.39Å; K147-I161 HydrophobicContact CG-CD1 3.9Å; K147-I161 HydrophobicContact CG-CG1 4.02Å; Y159-I161 HydrophobicContact CE1-CG2 4.39Å; Y159-I161 HydrophobicContact CE2-CB 4.19Å; Y159-I161 WeakPolarHBondContact OH-CD1 3.3Å; I161-L163 HydrophobicContact CD1-CD2 4.18Å; I161-L163 HydrophobicContact CG1-CD2 4.08Å; I161-L163 HydrophobicContact CG2-CD1 4.4Å; I161-L163 HydrophobicContact CG2-CD2 4.41Å; I161-L163 HydrophobicContact CG2-CG 4.28Å
162	R	97.9	Very high	97.1	Very high	66 Å²	66	34.1 Å²	34.1	25%	0.249	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.5	173.2	-170	-176.1	-171.4	-170.9	-1.7	111.4	N92 I93 F94 H140 N146	N92-R162 PolarHBondContact OD1-NE 3.24Å; N92-R162 PolarHBondContact OD1-NH2 3.19Å; N92-R162 VanDerWaalsContact OD1-NH2 3.17Å; I93-R162 WeakPolarHBondContact O-CA 3.4Å; F94-R162 HydrophobicContact CD1-CB 3.87Å; F94-R162 HydrophobicContact CD1-CG 3.83Å; F94-R162 HydrophobicContact CE1-CB 4.09Å; F94-R162 HydrophobicContact CE1-CG 3.74Å; H140-R162 HydrophobicContact CB-CB 4.45Å; H140-R162 HydrophobicContact CB-CG 4.42Å; N146-R162 HydrophobicContact CB-CB 3.65Å; N146-R162 PolarHBondContact O-N 3.11Å; N146-R162 WeakPolarHBondContact OD1-CD 3.48Å; N146-R162 PolarHBondContact OD1-NH1 3.24Å; N146-R162 VanDerWaalsContact OD1-NH1 3.1Å
163	L	97.7	Very high	97.1	Very high	11 Å²	11	31.1 Å²	31.1	6%	0.058	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.5	179.8	-56.9	175.5	0	0	0	110.4	N92 I93 L95 F131 F139 I161 L165	N92-L163 CarbonylContact C-O 3.51Å; N92-L163 WeakPolarHBondContact CA-O 3.2Å; N92-L163 PolarHBondContact ND2-O 3.41Å; I93-L163 HydrophobicContact CG1-CB 4.11Å; I93-L163 PolarHBondContact N-O 3.03Å; I93-L163 PolarHBondContact O-N 3.35Å; L95-L163 HydrophobicContact CB-CD1 4.26Å; L95-L163 HydrophobicContact CD2-CD1 4.17Å; F131-L163 HydrophobicContact CE2-CD1 3.61Å; F131-L163 HydrophobicContact CZ-CD1 4.02Å; F139-L163 HydrophobicContact CD1-CD2 3.41Å; F139-L163 VanDerWaalsContact CD1-CD2 3.41Å; F139-L163 HydrophobicContact CE1-CD2 3.52Å; I161-L163 HydrophobicContact CD1-CD2 4.18Å; I161-L163 HydrophobicContact CG1-CD2 4.08Å; I161-L163 HydrophobicContact CG2-CD1 4.4Å; I161-L163 HydrophobicContact CG2-CD2 4.41Å; I161-L163 HydrophobicContact CG2-CG 4.28Å; L163-L165 HydrophobicContact CB-CD2 4.11Å; L163-L165 HydrophobicContact CB-CG 4.17Å; L163-L165 HydrophobicContact CD1-CD2 4.38Å
164	T	98.4	Very high	97	Very high	22 Å²	22	33 Å²	33	14%	0.135	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127	155	-67	0	0	0	0	108.1	R90 V91 N92 A137 H138 H140	R90-T164 HydrophobicContact CG-CG2 3.86Å; V91-T164 CarbonylContact O-C 3.53Å; V91-T164 VanDerWaalsContact O-CA 3.31Å; V91-T164 WeakPolarHBondContact O-CA 3.46Å; N92-T164 PolarHBondContact ND2-OG1 3.38Å; A137-T164 CarbonylContact C-O 3.55Å; A137-T164 WeakPolarHBondContact CA-O 3.33Å; H138-T164 PolarHBondContact N-O 3.05Å; H138-T164 PolarHBondContact O-N 3.46Å; H140-T164 PolarHBondContact CE1-OG1 3Å; H140-T164 VanDerWaalsContact CE1-OG1 3.31Å; H140-T164 PolarHBondContact NE2-N 3.1Å; H140-T164 PolarHBondContact NE2-OG1 2.93Å
165	L	98.3	Very high	96.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.3	-179.2	-55	173.2	0	0	0	109.9	R90 V91 I93 F131 A137 L163 L167	R90-L165 VanDerWaalsContact CA-O 3.3Å; R90-L165 WeakPolarHBondContact CA-O 3.46Å; R90-L165 WeakPolarHBondContact CG-O 3.22Å; V91-L165 HydrophobicContact CG2-CB 3.91Å; V91-L165 HydrophobicContact CG2-CD1 4.39Å; V91-L165 HydrophobicContact CG2-CG 4.49Å; V91-L165 PolarHBondContact N-O 2.92Å; V91-L165 PolarHBondContact O-N 3.16Å; I93-L165 HydrophobicContact CD1-CD1 3.74Å; I93-L165 HydrophobicContact CG1-CD1 4.32Å; F131-L165 HydrophobicContact CD1-CD1 3.71Å; F131-L165 HydrophobicContact CD2-CD1 3.94Å; F131-L165 HydrophobicContact CD2-CD2 3.92Å; F131-L165 HydrophobicContact CE1-CD1 3.51Å; F131-L165 HydrophobicContact CE2-CD1 3.78Å; F131-L165 HydrophobicContact CE2-CD2 4.08Å; F131-L165 HydrophobicContact CG-CD1 3.92Å; F131-L165 HydrophobicContact CG-CD2 4.42Å; F131-L165 HydrophobicContact CZ-CD1 3.55Å; A137-L165 HydrophobicContact CB-CD2 3.6Å; L163-L165 HydrophobicContact CB-CD2 4.11Å; L163-L165 HydrophobicContact CB-CG 4.17Å; L163-L165 HydrophobicContact CD1-CD2 4.38Å; L165-L167 HydrophobicContact CB-CD1 4.33Å; L165-L167 HydrophobicContact CB-CD2 4.23Å; L165-L167 HydrophobicContact CB-CG 3.98Å; L165-L167 HydrophobicContact CD1-CD1 4.47Å
166	T	98.4	Very high	96.9	Very high	34 Å²	34	30.1 Å²	30.1	21%	0.209	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.6	165	-47.6	0	0	0	0	107.4	D88 K135 G136	D88-T166 HydrophobicContact CB-CG2 4.19Å; K135-T166 PolarHBondContact N-O 2.88Å; G136-T166 WeakPolarHBondContact O-CB 3.31Å; G136-T166 PolarHBondContact O-N 3.43Å; G136-T166 PolarHBondContact O-OG1 3.38Å
167	L	98.4	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136	-169.3	-67	172.3	0	0	0	110.5	D88 Y89 V91 F131 E134 L165 C169 M185	D88-L167 WeakPolarHBondContact CA-O 3.37Å; D88-L167 WeakPolarHBondContact CB-O 3.4Å; Y89-L167 HydrophobicContact CD1-CB 4.01Å; Y89-L167 VanDerWaalsContact CD1-O 3.3Å; Y89-L167 WeakPolarHBondContact CD1-O 3.26Å; Y89-L167 HydrophobicContact CE1-CB 3.46Å; Y89-L167 VanDerWaalsContact CE1-CB 3.46Å; Y89-L167 HydrophobicContact CE1-CD1 4.33Å; Y89-L167 HydrophobicContact CE2-CD1 4.24Å; Y89-L167 PolarHBondContact N-O 3.4Å; Y89-L167 PolarHBondContact O-N 3.13Å; Y89-L167 WeakPolarHBondContact OH-CD1 3.39Å; V91-L167 HydrophobicContact CG2-CD1 4.08Å; F131-L167 HydrophobicContact CB-CD2 4.33Å; E134-L167 HydrophobicContact CB-CD2 4.09Å; L165-L167 HydrophobicContact CB-CD1 4.33Å; L165-L167 HydrophobicContact CB-CD2 4.23Å; L165-L167 HydrophobicContact CB-CG 3.98Å; L165-L167 HydrophobicContact CD1-CD1 4.47Å; L167-C169 PolarHBondContact O-N 3.11Å; L167-M185 HydrophobicContact CD1-CB 3.95Å; L167-M185 HydrophobicContact CD1-CE 3.71Å; L167-M185 HydrophobicContact CD1-CG 3.79Å
168	S	98.1	Very high	96.6	Very high	40 Å²	40	27.8 Å²	27.8	28%	0.28	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126	176.8	-162.3	0	0	0	0	110.5	N133 K135	N133-S168 PolarHBondContact ND2-O 2.9Å; N133-S168 WeakPolarHBondContact O-CB 3.4Å; N133-S168 PolarHBondContact O-N 3Å; K135-S168 WeakPolarHBondContact CE-OG 3.2Å
169	C	97.7	Very high	96.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.143	C	C	.	.			trans	-131	98.5	175.8	177.9	0	0	0	0	109.3	M87 Y89 L167 M171 C183	M87-C169 CarbonylContact C-O 3.45Å; M87-C169 WeakPolarHBondContact CB-O 3.42Å; M87-C169 PolarHBondContact O-N 2.91Å; Y89-C169 HydrophobicContact CD1-CB 3.69Å; Y89-C169 HydrophobicContact CE1-CB 3.97Å; L167-C169 PolarHBondContact O-N 3.11Å; C169-M171 HydrophobicContact CB-CE 4.5Å; C169-M171 PolarHBondContact O-N 3.32Å; C169-C183 HydrophobicContact CB-CB 3.76Å; C169-C183 WeakPolarHBondContact CB-SG 3.42Å; C169-C183 WeakPolarHBondContact SG-CA 3.28Å; C169-C183 WeakPolarHBondContact SG-CB 3.34Å; C169-C183 CovalentContact SG-SG 2.04Å; C169-C183 PolarHBondContact SG-SG 2.97Å
170	P	96.2	Very high	96.2	Very high	102 Å²	102	27.1 Å²	27.1	66%	0.662	15%	0.148	S	C	*	.			trans	-71.8	112.4	176.5	28.7	-32.5	0	0	0	110.2
171	M	95.3	Very high	96.1	Very high	11 Å²	11	26.6 Å²	26.6	5%	0.054	14%	0.143	C	C	.	.			trans	-93.8	141.7	-172.5	-63.8	173.9	-163.6	0	0	112.7	I82 E84 C169 L173 Q181	I82-M171 HydrophobicContact CG2-CE 3.69Å; E84-M171 HydrophobicContact CB-SD 4.34Å; E84-M171 HydrophobicContact CG-SD 3.92Å; C169-M171 HydrophobicContact CB-CE 4.5Å; C169-M171 PolarHBondContact O-N 3.32Å; M171-L173 HydrophobicContact CB-CD2 4.18Å; M171-L173 HydrophobicContact CB-CG 4.36Å; M171-Q181 VanDerWaalsContact CA-OE1 3.24Å; M171-Q181 HydrophobicContact CB-CG 4.47Å; M171-Q181 VanDerWaalsContact CB-OE1 3.29Å; M171-Q181 HydrophobicContact CG-CG 4.17Å
172	D	94.1	Very high	96	Very high	71 Å²	71	29 Å²	29	38%	0.38	16%	0.158	S	C	.	.			trans	-98.5	111.6	168.3	-166.9	-18.6	0	0	0	110.1	K174 Q181	D172-K174 WeakPolarHBondContact OD1-CD 3.47Å; D172-K174 WeakPolarHBondContact OD1-CE 3.48Å; D172-K174 WeakPolarHBondContact OD1-CG 3.25Å; D172-K174 PolarHBondContact OD1-N 3.05Å; D172-K174 VanDerWaalsContact OD1-N 3.15Å; D172-K174 IonicContact OD1-NZ 2.65Å; D172-K174 WeakPolarHBondContact OD2-CD 3.42Å; D172-K174 VanDerWaalsContact OD2-CE 3.23Å; D172-K174 WeakPolarHBondContact OD2-CE 3.24Å; D172-K174 IonicContact OD2-NZ 3.38Å; D172-K174 PolarHBondContact OD2-NZ 3.43Å; D172-Q181 PolarHBondContact O-NE2 3.48Å
173	L	95.3	Very high	95.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.147	C	C	.	.			trans	-101.6	9.5	-172.8	-59.8	176.2	0	0	0	113.2	E84 M171 N175 F176 P306 Y310 K312	E84-L173 HydrophobicContact CG-CD2 4.45Å; M171-L173 HydrophobicContact CB-CD2 4.18Å; M171-L173 HydrophobicContact CB-CG 4.36Å; L173-N175 VanDerWaalsContact C-N 3.25Å; L173-N175 PolarHBondContact O-N 3.12Å; L173-F176 HydrophobicContact CB-CB 4.19Å; L173-F176 HydrophobicContact CD2-CD2 4.31Å; L173-F176 WeakPolarHBondContact O-CB 3.48Å; L173-F176 PolarHBondContact O-N 3.34Å; L173-P306 HydrophobicContact CD1-CG 3.49Å; L173-P306 VanDerWaalsContact CD1-CG 3.49Å; L173-Y310 HydrophobicContact CB-CE2 4.18Å; L173-Y310 PolarHBondContact N-OH 3.46Å; L173-K312 HydrophobicContact CB-CD 3.99Å; L173-K312 HydrophobicContact CB-CG 4.47Å; L173-K312 VanDerWaalsContact O-CG 3.3Å; L173-K312 WeakPolarHBondContact O-CG 3.49Å
174	K	93.4	Very high	95.9	Very high	105 Å²	105	27.1 Å²	27.1	46%	0.457	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-45.4	179.3	-71.6	159.3	-162.7	155.2	0	112.4	D172 F176 Y310 K312 A313	D172-K174 WeakPolarHBondContact OD1-CD 3.47Å; D172-K174 WeakPolarHBondContact OD1-CE 3.48Å; D172-K174 WeakPolarHBondContact OD1-CG 3.25Å; D172-K174 PolarHBondContact OD1-N 3.05Å; D172-K174 VanDerWaalsContact OD1-N 3.15Å; D172-K174 IonicContact OD1-NZ 2.65Å; D172-K174 WeakPolarHBondContact OD2-CD 3.42Å; D172-K174 VanDerWaalsContact OD2-CE 3.23Å; D172-K174 WeakPolarHBondContact OD2-CE 3.24Å; D172-K174 IonicContact OD2-NZ 3.38Å; D172-K174 PolarHBondContact OD2-NZ 3.43Å; K174-F176 VanDerWaalsContact C-N 3.35Å; K174-Y310 HydrophobicContact CG-CD2 3.96Å; K174-Y310 HydrophobicContact CG-CE2 4.04Å; K174-K312 CarbonylContact O-C 3.59Å; K174-K312 VanDerWaalsContact O-CA 3.28Å; K174-K312 WeakPolarHBondContact O-CA 3.44Å; K174-A313 PolarHBondContact O-N 2.92Å
175	N	94.3	Very high	95.9	Very high	29 Å²	29	26.1 Å²	26.1	16%	0.155	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.1	-177	-69.9	-17.7	0	0	0	113.5	L173 M178 Y443 D450	L173-N175 VanDerWaalsContact C-N 3.25Å; L173-N175 PolarHBondContact O-N 3.12Å; N175-M178 CarbonylContact O-C 3.45Å; N175-M178 WeakPolarHBondContact O-CA 3.45Å; N175-M178 PolarHBondContact O-N 3.47Å; N175-Y443 WeakPolarHBondContact OD1-CE1 3.26Å; N175-D450 PolarHBondContact ND2-OD2 3.5Å
176	F	94.8	Very high	95.9	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	129.3	-177.7	175.2	-84.7	0	0	0	112.8	L173 K174 D179 Y254 L305 A313 I314	L173-F176 HydrophobicContact CB-CB 4.19Å; L173-F176 HydrophobicContact CD2-CD2 4.31Å; L173-F176 WeakPolarHBondContact O-CB 3.48Å; L173-F176 PolarHBondContact O-N 3.34Å; K174-F176 VanDerWaalsContact C-N 3.35Å; F176-D179 WeakPolarHBondContact CA-OD1 3.49Å; F176-Y254 HydrophobicContact CE1-CE1 4.38Å; F176-Y254 HydrophobicContact CE2-CE1 4.08Å; F176-Y254 HydrophobicContact CZ-CD1 4.18Å; F176-Y254 AromaticContact CZ-CE1 3.52Å; F176-Y254 HydrophobicContact CZ-CE1 3.52Å; F176-L305 HydrophobicContact CD1-CD1 3.97Å; F176-L305 HydrophobicContact CD2-CD2 4.33Å; F176-L305 HydrophobicContact CE1-CD1 3.64Å; F176-L305 HydrophobicContact CE1-CD2 4.28Å; F176-L305 HydrophobicContact CE1-CG 4.49Å; F176-L305 HydrophobicContact CE2-CD2 3.8Å; F176-L305 HydrophobicContact CZ-CD1 3.97Å; F176-L305 HydrophobicContact CZ-CD2 3.77Å; F176-L305 HydrophobicContact CZ-CG 4.35Å; F176-A313 WeakPolarHBondContact O-CB 3.47Å; F176-I314 HydrophobicContact CD1-CB 4.17Å; F176-I314 HydrophobicContact CD1-CG2 3.68Å; F176-I314 HydrophobicContact CE1-CB 4.44Å; F176-I314 HydrophobicContact CE1-CG2 4.05Å; F176-I314 PolarHBondContact O-N 3Å
177	P	94.8	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	cis	-104.2	30	12.7	37.5	-28.8	0	0	0	114.5	D179 R249 M251 Y254 Y259	P177-D179 WeakPolarHBondContact CA-OD1 3.21Å; P177-R249 WeakPolarHBondContact O-CD 3.23Å; P177-M251 HydrophobicContact CB-SD 4.38Å; P177-M251 HydrophobicContact CG-CE 3.99Å; P177-M251 HydrophobicContact CG-SD 3.87Å; P177-Y254 HydrophobicContact CB-CD1 3.8Å; P177-Y254 HydrophobicContact CB-CD2 3.61Å; P177-Y254 HydrophobicContact CB-CE1 4.1Å; P177-Y254 HydrophobicContact CB-CE2 3.91Å; P177-Y254 HydrophobicContact CB-CG 3.54Å; P177-Y254 HydrophobicContact CG-CD1 4.11Å; P177-Y254 HydrophobicContact CG-CD2 4.16Å; P177-Y254 HydrophobicContact CG-CG 3.72Å; P177-Y259 WeakPolarHBondContact CD-OH 3.19Å; P177-Y259 HydrophobicContact CG-CE2 3.99Å
178	M	93.9	Very high	95.9	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.054	14%	0.143	C	C	.	.	S	Bend	trans	-107.5	25.6	176.7	-66.2	173.2	-80.4	0	0	111.7	N175 M251 A313 Y439 W440 Y443	N175-M178 CarbonylContact O-C 3.45Å; N175-M178 WeakPolarHBondContact O-CA 3.45Å; N175-M178 PolarHBondContact O-N 3.47Å; M178-M251 HydrophobicContact CG-CE 3.87Å; M178-M251 HydrophobicContact CG-SD 3.64Å; M178-M251 HydrophobicContact SD-CE 4.15Å; M178-A313 HydrophobicContact CE-CB 4.42Å; M178-Y439 HydrophobicContact CE-CE1 3.9Å; M178-W440 HydrophobicContact CE-CZ3 4.27Å; M178-W440 HydrophobicContact SD-CE3 4.14Å; M178-W440 HydrophobicContact SD-CZ3 3.72Å; M178-Y443 VanDerWaalsContact CE-CB 3.42Å; M178-Y443 HydrophobicContact CE-CD1 4.4Å; M178-Y443 HydrophobicContact CE-CD2 4.08Å; M178-Y443 HydrophobicContact CE-CG 3.71Å
179	D	93.9	Very high	95.9	Very high	5 Å²	5	24 Å²	24	3%	0.027	13%	0.13	C	C	.	.			trans	-81.7	152.8	-177	52.7	-60.1	0	0	0	114.1	F176 P177 Q181 R249	F176-D179 WeakPolarHBondContact CA-OD1 3.49Å; P177-D179 WeakPolarHBondContact CA-OD1 3.21Å; D179-Q181 PolarHBondContact OD2-NE2 2.95Å; D179-R249 WeakPolarHBondContact O-CB 3.36Å; D179-R249 PolarHBondContact O-N 3.04Å; D179-R249 VanDerWaalsContact O-N 3.09Å; D179-R249 VanDerWaalsContact OD1-CD 3.3Å; D179-R249 WeakPolarHBondContact OD1-CD 3.15Å; D179-R249 IonicContact OD1-CZ 3.68Å; D179-R249 IonicContact OD1-NE 2.87Å; D179-R249 PolarHBondContact OD1-NE 2.78Å; D179-R249 IonicContact OD1-NH2 3.27Å; D179-R249 IonicContact OD2-CZ 3.39Å; D179-R249 IonicContact OD2-NE 2.69Å; D179-R249 PolarHBondContact OD2-NE 3.43Å; D179-R249 IonicContact OD2-NH2 3.7Å; D179-R249 PolarHBondContact OD2-NH2 2.93Å
180	V	93.8	Very high	95.8	Very high	33 Å²	33	31.4 Å²	31.4	20%	0.2	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.7	164.5	-179.6	0	0	0	0	106.8	L247 E248 V451	V180-L247 WeakPolarHBondContact CA-O 3.42Å; V180-E248 HydrophobicContact CG2-CB 4.21Å; V180-E248 HydrophobicContact CG2-CG 4.14Å; V180-V451 HydrophobicContact CG2-CG2 3.85Å
181	Q	95.1	Very high	95.8	Very high	6 Å²	6	29 Å²	29	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.8	177.4	-59.4	-56.7	-30	0	0	110.2	M171 D172 D179 F218 L247	M171-Q181 VanDerWaalsContact CA-OE1 3.24Å; M171-Q181 HydrophobicContact CB-CG 4.47Å; M171-Q181 VanDerWaalsContact CB-OE1 3.29Å; M171-Q181 HydrophobicContact CG-CG 4.17Å; D172-Q181 PolarHBondContact O-NE2 3.48Å; D179-Q181 PolarHBondContact OD2-NE2 2.95Å; Q181-F218 HydrophobicContact CG-CE1 4.41Å; Q181-L247 HydrophobicContact CB-CB 4.42Å; Q181-L247 PolarHBondContact N-O 3Å; Q181-L247 PolarHBondContact O-N 3.32Å
182	T	95.6	Very high	95.9	Very high	58 Å²	58	31.2 Å²	31.2	36%	0.356	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	96	176.1	-61.2	0	0	0	0	108.3	R244 F245 H246	T182-R244 HydrophobicContact CG2-CB 3.84Å; T182-R244 HydrophobicContact CG2-CG 4.47Å; T182-F245 WeakPolarHBondContact CA-O 3.2Å; T182-H246 PolarHBondContact OG1-ND1 3.16Å
183	C	97.2	Very high	96.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.8	180	-67.1	0	0	0	0	110.7	Y89 C169 F245 L247	Y89-C183 HydrophobicContact CD1-CB 4Å; Y89-C183 HydrophobicContact CE1-CB 3.64Å; C169-C183 HydrophobicContact CB-CB 3.76Å; C169-C183 WeakPolarHBondContact CB-SG 3.42Å; C169-C183 WeakPolarHBondContact SG-CA 3.28Å; C169-C183 WeakPolarHBondContact SG-CB 3.34Å; C169-C183 CovalentContact SG-SG 2.04Å; C169-C183 PolarHBondContact SG-SG 2.97Å; C183-F245 PolarHBondContact N-O 3.32Å; C183-F245 WeakPolarHBondContact O-CD2 3.24Å; C183-F245 PolarHBondContact O-N 2.88Å; C183-L247 HydrophobicContact CB-CD1 4.19Å
184	I	97.4	Very high	96.2	Very high	38 Å²	38	31.6 Å²	31.6	20%	0.195	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.8	-174	68.7	178.5	0	0	0	112	Y89 N133 Q186 E242 V243 R244	Y89-I184 PolarHBondContact OH-O 3.09Å; N133-I184 PolarHBondContact ND2-O 3.04Å; I184-Q186 HydrophobicContact CD1-CG 4.35Å; I184-E242 HydrophobicContact CB-CG 4.16Å; I184-E242 HydrophobicContact CG2-CG 4.48Å; I184-V243 WeakPolarHBondContact CA-O 3.41Å; I184-R244 HydrophobicContact CG2-CB 4.37Å; I184-R244 HydrophobicContact CG2-CG 3.99Å
185	M	98.2	Very high	96.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.7	166.6	178.5	-164.4	-66.1	0	0	107.9	I74 V91 I93 F131 L167 L187 E242 V243 F245	I74-M185 HydrophobicContact CD1-CE 4.33Å; I74-M185 HydrophobicContact CD1-SD 4.02Å; V91-M185 HydrophobicContact CG2-CE 3.92Å; I93-M185 HydrophobicContact CD1-CE 4.33Å; I93-M185 HydrophobicContact CD1-SD 4.35Å; I93-M185 HydrophobicContact CG2-CE 4.27Å; F131-M185 HydrophobicContact CD1-CG 3.85Å; F131-M185 HydrophobicContact CD1-SD 4.32Å; F131-M185 HydrophobicContact CE1-CG 3.93Å; F131-M185 HydrophobicContact CE1-SD 3.79Å; L167-M185 HydrophobicContact CD1-CB 3.95Å; L167-M185 HydrophobicContact CD1-CE 3.71Å; L167-M185 HydrophobicContact CD1-CG 3.79Å; M185-L187 HydrophobicContact CG-CD1 3.87Å; M185-L187 HydrophobicContact SD-CD1 3.97Å; M185-E242 WeakPolarHBondContact O-CA 3.32Å; M185-V243 HydrophobicContact CB-CG1 3.81Å; M185-V243 HydrophobicContact CG-CG1 4.48Å; M185-V243 PolarHBondContact N-O 3Å; M185-V243 PolarHBondContact O-N 3.1Å; M185-V243 VanDerWaalsContact O-N 3.08Å; M185-V243 HydrophobicContact SD-CG1 4.31Å; M185-F245 HydrophobicContact CB-CE2 4.06Å; M185-F245 HydrophobicContact CE-CE2 4.18Å; M185-F245 HydrophobicContact CE-CZ 4.38Å
186	Q	98.2	Very high	96.5	Very high	29 Å²	29	33.7 Å²	33.7	14%	0.136	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.3	178.6	-69.6	-177.7	-9.3	0	0	110.3	F131 A132 N133 I184 C229 E242	F131-Q186 CarbonylContact C-O 3.39Å; F131-Q186 VanDerWaalsContact CA-O 3.29Å; F131-Q186 WeakPolarHBondContact CA-O 3.33Å; A132-Q186 HydrophobicContact CB-CB 3.94Å; A132-Q186 PolarHBondContact N-O 2.86Å; N133-Q186 PolarHBondContact OD1-N 3.38Å; I184-Q186 HydrophobicContact CD1-CG 4.35Å; Q186-C229 HydrophobicContact CG-CB 4.47Å; Q186-E242 HydrophobicContact CG-CB 4.27Å; Q186-E242 HydrophobicContact CG-CG 4.07Å; Q186-E242 WeakPolarHBondContact CG-OE2 3.26Å; Q186-E242 PolarHBondContact NE2-OE2 3.43Å
187	L	98.5	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.8	177.4	-63.7	75.6	0	0	0	107.9	L95 L129 F131 M185 W201 C240 I241	L95-L187 HydrophobicContact CD1-CD2 3.76Å; L129-L187 HydrophobicContact CD1-CB 4.27Å; L129-L187 HydrophobicContact CD1-CD2 4.08Å; L129-L187 HydrophobicContact CD2-CB 4.08Å; L129-L187 HydrophobicContact CD2-CD2 4.19Å; L129-L187 HydrophobicContact CD2-CG 4.22Å; L129-L187 HydrophobicContact CG-CB 4.27Å; F131-L187 HydrophobicContact CD1-CD1 4.5Å; F131-L187 HydrophobicContact CD1-CG 4.14Å; F131-L187 HydrophobicContact CE1-CD1 4.12Å; F131-L187 HydrophobicContact CE1-CD2 4.17Å; F131-L187 HydrophobicContact CE1-CG 3.67Å; F131-L187 HydrophobicContact CZ-CD2 4.49Å; F131-L187 HydrophobicContact CZ-CG 4.35Å; M185-L187 HydrophobicContact CG-CD1 3.87Å; M185-L187 HydrophobicContact SD-CD1 3.97Å; L187-W201 HydrophobicContact CD1-CH2 3.83Å; L187-W201 HydrophobicContact CD1-CZ2 4.16Å; L187-W201 HydrophobicContact CD2-CH2 4.31Å; L187-C240 CarbonylContact O-C 3.57Å; L187-C240 VanDerWaalsContact O-CA 3.27Å; L187-C240 WeakPolarHBondContact O-CA 3.37Å; L187-I241 HydrophobicContact CB-CG1 3.93Å; L187-I241 PolarHBondContact N-O 3.14Å; L187-I241 PolarHBondContact O-N 3.01Å
188	E	98.3	Very high	96.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.3	-166	-171.2	172.5	143.6	0	0	111.2	L129 F130 A132 F199 K231 Y233 T239 C240	L129-E188 WeakPolarHBondContact CA-O 3.38Å; F130-E188 HydrophobicContact CD1-CB 4.19Å; F130-E188 WeakPolarHBondContact CD1-O 3.35Å; F130-E188 HydrophobicContact CE1-CB 3.66Å; F130-E188 HydrophobicContact CE1-CG 3.68Å; F130-E188 HydrophobicContact CZ-CB 3.95Å; F130-E188 HydrophobicContact CZ-CG 3.91Å; F130-E188 PolarHBondContact N-O 3.35Å; F130-E188 PolarHBondContact O-N 3.45Å; A132-E188 HydrophobicContact CB-CB 4.17Å; A132-E188 WeakPolarHBondContact CB-OE2 3.31Å; E188-F199 VanDerWaalsContact C-CE2 3.48Å; E188-K231 VanDerWaalsContact CD-CG 3.44Å; E188-K231 HydrophobicContact CG-CG 4.45Å; E188-K231 WeakPolarHBondContact OE1-CG 3.28Å; E188-K231 WeakPolarHBondContact OE2-CG 3.31Å; E188-K231 IonicContact OE2-NZ 2.92Å; E188-K231 PolarHBondContact OE2-NZ 3.25Å; E188-Y233 VanDerWaalsContact OE1-CE2 3.3Å; E188-Y233 WeakPolarHBondContact OE1-CE2 3.27Å; E188-Y233 PolarHBondContact OE1-OH 3.03Å; E188-T239 WeakPolarHBondContact CA-O 3.3Å; E188-T239 WeakPolarHBondContact CG-O 3.39Å; E188-C240 HydrophobicContact CB-CB 4.31Å; E188-C240 HydrophobicContact CG-CB 4.11Å
189	S	98.2	Very high	97.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136	171.3	173.8	0	0	0	0	110.5	D128 Y192 F238 T239	D128-S189 VanDerWaalsContact CG-OG 3.32Å; D128-S189 WeakPolarHBondContact OD1-CB 3.39Å; D128-S189 PolarHBondContact OD1-OG 3.49Å; D128-S189 PolarHBondContact OD2-OG 3Å; S189-Y192 PolarHBondContact OG-N 3.22Å; S189-Y192 PolarHBondContact OG-O 2.65Å; S189-F238 WeakPolarHBondContact O-CD1 3.47Å; S189-T239 PolarHBondContact N-O 2.85Å; S189-T239 VanDerWaalsContact N-O 3.17Å
190	F	96.3	Very high	97.3	Very high	156 Å²	156	37.6 Å²	37.6	68%	0.684	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	-41.5	-174.4	-169.6	-92.6	0	0	0	113.5	D128 F130 F238	D128-F190 PolarHBondContact OD2-N 2.93Å; F130-F190 HydrophobicContact CD1-CB 3.72Å; F130-F190 HydrophobicContact CD1-CD2 4.09Å; F130-F190 HydrophobicContact CD1-CG 4.43Å; F130-F190 HydrophobicContact CE1-CB 3.91Å; F130-F190 AromaticContact CE1-CD2 3.93Å; F130-F190 HydrophobicContact CE1-CD2 3.93Å; F130-F190 HydrophobicContact CE1-CG 4.43Å; F130-F190 HydrophobicContact CG-CD2 4.48Å; F130-F190 HydrophobicContact CZ-CD2 4.18Å; F190-F238 WeakPolarHBondContact O-CE1 3.35Å
191	G	95.4	Very high	97.5	Very high	53 Å²	53	37.3 Å²	37.3	55%	0.546	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-23	-170.9	0	0	0	0	0	115.1	D128	D128-G191 WeakPolarHBondContact OD2-CA 3.22Å; D128-G191 PolarHBondContact OD2-N 2.85Å
192	Y	97.6	Very high	97.5	Very high	57 Å²	57	39.4 Å²	39.4	22%	0.224	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.4	178.1	-62.2	-88.2	0	0	0	111.8	R60 W125 D128 S189 D196 L197 F238	R60-Y192 HydrophobicContact CB-CE1 4.22Å; W125-Y192 HydrophobicContact CZ2-CE2 4.38Å; W125-Y192 AromaticContact NE1-CZ 3.68Å; W125-Y192 PolarHBondContact NE1-OH 3.22Å; D128-Y192 HydrophobicContact CB-CD2 4.46Å; D128-Y192 HydrophobicContact CB-CE2 4.43Å; D128-Y192 WeakPolarHBondContact OD1-CD2 3.46Å; D128-Y192 WeakPolarHBondContact OD2-CD2 3.26Å; S189-Y192 PolarHBondContact OG-N 3.22Å; S189-Y192 PolarHBondContact OG-O 2.65Å; Y192-D196 HydrophobicContact CD1-CB 3.96Å; Y192-L197 VanDerWaalsContact CB-CB 3.48Å; Y192-L197 HydrophobicContact CD2-CD2 3.88Å; Y192-L197 HydrophobicContact CG-CB 4.17Å; Y192-L197 HydrophobicContact CG-CD2 4.1Å; Y192-F238 VanDerWaalsContact O-CD1 3.3Å; Y192-F238 WeakPolarHBondContact O-CD1 3.41Å
193	T	98	Very high	97.3	Very high	34 Å²	34	45.4 Å²	45.4	21%	0.209	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	165.7	173.9	74.7	0	0	0	0	111.4	N195 D196 L197 K237 F238	T193-N195 PolarHBondContact O-N 3.2Å; T193-N195 PolarHBondContact OG1-N 2.9Å; T193-D196 PolarHBondContact O-N 3.22Å; T193-L197 PolarHBondContact O-N 3.4Å; T193-K237 WeakPolarHBondContact CA-O 3.46Å; T193-K237 WeakPolarHBondContact CB-O 3.42Å; T193-F238 HydrophobicContact CG2-CE1 4.45Å; T193-F238 HydrophobicContact CG2-CZ 4.36Å
194	M	97.4	Very high	97	Very high	46 Å²	46	51.3 Å²	51.3	23%	0.227	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-18.1	172.2	-74.7	-68.4	-54.5	0	0	115	I198 T230 K237 T239	M194-I198 HydrophobicContact CE-CD1 4.17Å; M194-I198 HydrophobicContact CE-CG1 3.97Å; M194-I198 HydrophobicContact CE-CG2 4.42Å; M194-T230 HydrophobicContact CG-CG2 4.14Å; M194-T230 HydrophobicContact SD-CG2 3.88Å; M194-K237 HydrophobicContact CG-CB 4.45Å; M194-K237 HydrophobicContact CG-CD 4.14Å; M194-K237 HydrophobicContact CG-CG 3.87Å; M194-K237 PolarHBondContact N-O 3.48Å; M194-T239 WeakPolarHBondContact SD-CA 3.28Å; M194-T239 WeakPolarHBondContact SD-CB 3.38Å
195	N	97.2	Very high	96.7	Very high	126 Å²	126	51.2 Å²	51.2	67%	0.674	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.2	177.3	-60	-26.6	0	0	0	113	T193	T193-N195 PolarHBondContact O-N 3.2Å; T193-N195 PolarHBondContact OG1-N 2.9Å
196	D	97.8	Very high	96.5	Very high	51 Å²	51	52.1 Å²	52.1	27%	0.273	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-27.8	-174.4	-71.4	-70.5	0	0	0	113.5	R60 P67 V68 Y192 T193	R60-D196 IonicContact CZ-OD1 3.63Å; R60-D196 IonicContact NE-OD1 2.74Å; R60-D196 PolarHBondContact NE-OD1 3.44Å; R60-D196 IonicContact NH2-OD1 2.71Å; R60-D196 PolarHBondContact NH2-OD1 3.38Å; P67-D196 WeakPolarHBondContact CA-O 3.45Å; V68-D196 PolarHBondContact N-O 2.95Å; Y192-D196 HydrophobicContact CD1-CB 3.96Å; T193-D196 PolarHBondContact O-N 3.22Å
197	L	98.3	Very high	96.4	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	133.2	-176.8	-166.9	64.3	0	0	0	110.8	V68 V70 W125 P127 D128 Y192 T193 F199	V68-L197 HydrophobicContact CB-CD1 3.94Å; V68-L197 HydrophobicContact CG1-CD1 4.39Å; V70-L197 HydrophobicContact CG2-CD1 3.6Å; W125-L197 HydrophobicContact CH2-CD1 3.81Å; W125-L197 HydrophobicContact CZ2-CD1 4.28Å; P127-L197 HydrophobicContact CB-CD2 4.4Å; D128-L197 WeakPolarHBondContact OD1-CD2 3.2Å; Y192-L197 VanDerWaalsContact CB-CB 3.48Å; Y192-L197 HydrophobicContact CD2-CD2 3.88Å; Y192-L197 HydrophobicContact CG-CB 4.17Å; Y192-L197 HydrophobicContact CG-CD2 4.1Å; T193-L197 PolarHBondContact O-N 3.4Å; L197-F199 HydrophobicContact CD1-CE1 4.28Å; L197-F199 HydrophobicContact CD2-CE1 3.66Å; L197-F199 HydrophobicContact CD2-CZ 4.05Å; L197-F199 HydrophobicContact CG-CD1 4.29Å; L197-F199 HydrophobicContact CG-CE1 3.78Å
198	I	98.5	Very high	96.3	Very high	35 Å²	35	54.9 Å²	54.9	18%	0.179	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.8	176.6	-60.7	178.6	0	0	0	108.7	P67 V68 N69 V70 M194 E200	P67-I198 HydrophobicContact CB-CD1 4.08Å; P67-I198 HydrophobicContact CB-CG1 3.99Å; P67-I198 HydrophobicContact CG-CD1 3.68Å; P67-I198 HydrophobicContact CG-CG1 4.18Å; V68-I198 PolarHBondContact O-N 3.35Å; N69-I198 WeakPolarHBondContact CA-O 3.31Å; V70-I198 PolarHBondContact N-O 2.96Å; M194-I198 HydrophobicContact CE-CD1 4.17Å; M194-I198 HydrophobicContact CE-CG1 3.97Å; M194-I198 HydrophobicContact CE-CG2 4.42Å; I198-E200 HydrophobicContact CG2-CG 3.98Å
199	F	98.6	Very high	96.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.6	172.5	-65	-11.6	0	0	0	110.3	V70 P127 L129 E188 L197 T239 I241	V70-F199 HydrophobicContact CB-CD1 3.89Å; V70-F199 HydrophobicContact CB-CE1 4.23Å; V70-F199 HydrophobicContact CG2-CD1 4.19Å; V70-F199 HydrophobicContact CG2-CE1 4.16Å; V70-F199 WeakPolarHBondContact O-CA 3.38Å; P127-F199 HydrophobicContact CB-CE1 4.21Å; P127-F199 HydrophobicContact CB-CZ 4.48Å; L129-F199 HydrophobicContact CB-CE2 3.92Å; L129-F199 HydrophobicContact CB-CZ 3.76Å; L129-F199 HydrophobicContact CD1-CD2 4.25Å; L129-F199 HydrophobicContact CD1-CE2 3.81Å; L129-F199 HydrophobicContact CD1-CZ 4.07Å; L129-F199 HydrophobicContact CG-CD2 4.43Å; L129-F199 HydrophobicContact CG-CE2 3.62Å; L129-F199 HydrophobicContact CG-CZ 3.97Å; E188-F199 VanDerWaalsContact C-CE2 3.48Å; L197-F199 HydrophobicContact CD1-CE1 4.28Å; L197-F199 HydrophobicContact CD2-CE1 3.66Å; L197-F199 HydrophobicContact CD2-CZ 4.05Å; L197-F199 HydrophobicContact CG-CD1 4.29Å; L197-F199 HydrophobicContact CG-CE1 3.78Å; F199-T239 HydrophobicContact CB-CG2 4.04Å; F199-T239 HydrophobicContact CD1-CG2 3.85Å; F199-T239 HydrophobicContact CD2-CG2 3.8Å; F199-T239 HydrophobicContact CE1-CG2 4.26Å; F199-T239 HydrophobicContact CE2-CG2 4.2Å; F199-T239 HydrophobicContact CG-CG2 3.6Å; F199-T239 HydrophobicContact CZ-CG2 4.42Å; F199-T239 PolarHBondContact N-OG1 3.49Å; F199-I241 HydrophobicContact CB-CD1 4.1Å; F199-I241 HydrophobicContact CB-CG1 4.23Å; F199-I241 HydrophobicContact CB-CG2 4.1Å; F199-I241 VanDerWaalsContact O-CG2 3.23Å; F199-I241 WeakPolarHBondContact O-CG2 3.35Å
200	E	98.1	Very high	96.1	Very high	64 Å²	64	59 Å²	59	30%	0.299	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.7	-179.1	-60.7	179.8	134.9	0	0	109.2	N69 V70 S71 C72 I198	N69-E200 PolarHBondContact ND2-OE1 3.23Å; N69-E200 PolarHBondContact ND2-OE2 3.38Å; V70-E200 PolarHBondContact O-N 3.44Å; S71-E200 CarbonylContact C-O 3.5Å; S71-E200 WeakPolarHBondContact CA-O 3.37Å; C72-E200 PolarHBondContact N-O 2.63Å; I198-E200 HydrophobicContact CG2-CG 3.98Å
201	W	97.8	Very high	95.9	Very high	27 Å²	27	61 Å²	61	10%	0.102	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.3	171.4	-75.3	121.4	0	0	0	110	C72 I74 L187 E203 P206 L226 I241 E242 V243	C72-W201 HydrophobicContact CB-CE3 4.36Å; C72-W201 HydrophobicContact CB-CZ3 4.38Å; I74-W201 HydrophobicContact CG1-CZ3 4.48Å; I74-W201 HydrophobicContact CG2-CZ3 4.49Å; L187-W201 HydrophobicContact CD1-CH2 3.83Å; L187-W201 HydrophobicContact CD1-CZ2 4.16Å; L187-W201 HydrophobicContact CD2-CH2 4.31Å; W201-E203 PolarHBondContact O-N 3.18Å; W201-P206 HydrophobicContact CB-CB 4.03Å; W201-P206 HydrophobicContact CD2-CB 4.39Å; W201-P206 HydrophobicContact CE3-CB 3.98Å; W201-P206 HydrophobicContact CG-CB 4.46Å; W201-L226 HydrophobicContact CD2-CD2 4.14Å; W201-L226 HydrophobicContact CG-CD2 4.25Å; W201-L226 HydrophobicContact CZ2-CD2 4.47Å; W201-I241 HydrophobicContact CD2-CD1 3.84Å; W201-I241 HydrophobicContact CE3-CD1 4.05Å; W201-I241 HydrophobicContact CG-CD1 4.33Å; W201-I241 HydrophobicContact CH2-CD1 4.27Å; W201-I241 HydrophobicContact CZ2-CB 4.34Å; W201-I241 HydrophobicContact CZ2-CD1 4.08Å; W201-I241 HydrophobicContact CZ2-CG1 4.05Å; W201-I241 HydrophobicContact CZ3-CD1 4.26Å; W201-E242 PolarHBondContact NE1-O 2.93Å; W201-V243 HydrophobicContact CH2-CB 4.17Å; W201-V243 HydrophobicContact CH2-CG1 4Å; W201-V243 HydrophobicContact CZ2-CB 3.75Å; W201-V243 HydrophobicContact CZ2-CG1 3.95Å
202	Q	95.9	Very high	95.7	Very high	50 Å²	50	61.8 Å²	61.8	23%	0.234	34%	0.339	C	S	.	.			trans	-61.7	123.2	174.6	177.4	179	-35	0	0	110.8	C72 N73 N204 P206	C72-Q202 WeakPolarHBondContact O-CB 3.47Å; C72-Q202 PolarHBondContact O-N 3.05Å; N73-Q202 HydrophobicContact CB-CB 4.29Å; Q202-N204 VanDerWaalsContact C-N 3.29Å; Q202-N204 PolarHBondContact NE2-O 3.39Å; Q202-N204 PolarHBondContact O-N 3.36Å; Q202-P206 WeakPolarHBondContact O-CB 3.34Å; Q202-P206 WeakPolarHBondContact O-CD 3.3Å; Q202-P206 WeakPolarHBondContact O-CG 3.14Å
203	E	90.8	Very high	95.6	Very high	184 Å²	184	61.5 Å²	61.5	86%	0.86	34%	0.341	S	S	*	.	S	Bend	trans	-51.1	-45.2	-175.3	-59.4	-179.2	151.8	0	0	113.7	W201	W201-E203 PolarHBondContact O-N 3.18Å
204	N	91.4	Very high	95.4	Very high	125 Å²	125	65.7 Å²	65.7	67%	0.668	37%	0.366	S	S	*	.	S	Bend	trans	-96.5	106.2	-176.7	-71.7	-68.9	0	0	0	111	Q202	Q202-N204 VanDerWaalsContact C-N 3.29Å; Q202-N204 PolarHBondContact NE2-O 3.39Å; Q202-N204 PolarHBondContact O-N 3.36Å
205	G	90.3	Very high	95.3	Very high	37 Å²	37	64.2 Å²	64.2	38%	0.381	36%	0.359	S	S	.	.			trans	62.3	53.5	176	0	0	0	0	0	114.7	N73 V207 Q208	N73-G205 PolarHBondContact ND2-O 2.96Å; G205-V207 PolarHBondContact O-N 3.41Å; G205-Q208 PolarHBondContact O-NE2 3.48Å
206	P	94.6	Very high	95.1	Very high	19 Å²	19	64.2 Å²	64.2	12%	0.123	37%	0.366	C	S	.	.	S	Bend	trans	-61.8	-32	-177.7	22.6	-30.8	0	0	0	113	N73 I74 W201 Q202 L226	N73-P206 CarbonylContact C-O 3.59Å; N73-P206 VanDerWaalsContact CA-O 3.29Å; N73-P206 WeakPolarHBondContact CA-O 3.5Å; N73-P206 PolarHBondContact ND2-O 3.33Å; I74-P206 PolarHBondContact N-O 3Å; W201-P206 HydrophobicContact CB-CB 4.03Å; W201-P206 HydrophobicContact CD2-CB 4.39Å; W201-P206 HydrophobicContact CE3-CB 3.98Å; W201-P206 HydrophobicContact CG-CB 4.46Å; Q202-P206 WeakPolarHBondContact O-CB 3.34Å; Q202-P206 WeakPolarHBondContact O-CD 3.3Å; Q202-P206 WeakPolarHBondContact O-CG 3.14Å; P206-L226 HydrophobicContact CB-CD1 4.2Å; P206-L226 HydrophobicContact CG-CD1 3.41Å; P206-L226 VanDerWaalsContact CG-CD1 3.41Å
207	V	96.6	Very high	94.9	Very high	26 Å²	26	65.5 Å²	65.5	16%	0.158	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.6	174	-176.7	0	0	0	0	107.5	I74 I76 G205 L226 V243 F245	I74-V207 HydrophobicContact CD1-CG1 4.36Å; I74-V207 HydrophobicContact CD1-CG2 4.31Å; I74-V207 HydrophobicContact CG1-CB 4.42Å; I74-V207 HydrophobicContact CG1-CG1 4.27Å; I74-V207 HydrophobicContact CG1-CG2 4.15Å; I76-V207 HydrophobicContact CD1-CG1 4.22Å; G205-V207 PolarHBondContact O-N 3.41Å; V207-L226 HydrophobicContact CG2-CD2 3.88Å; V207-V243 HydrophobicContact CG2-CB 4.42Å; V207-V243 HydrophobicContact CG2-CG2 3.7Å; V207-F245 HydrophobicContact CG1-CE1 4.21Å
208	Q	95.7	Very high	94.8	Very high	61 Å²	61	65.7 Å²	65.7	29%	0.285	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.8	175.5	-67.1	156.6	28.9	0	0	108.4	N73 I74 F75 I76 G205	N73-Q208 PolarHBondContact ND2-NE2 3.05Å; N73-Q208 VanDerWaalsContact ND2-NE2 3.11Å; I74-Q208 PolarHBondContact O-N 3.16Å; F75-Q208 CarbonylContact C-O 3.57Å; F75-Q208 WeakPolarHBondContact CA-O 3.4Å; F75-Q208 HydrophobicContact CB-CB 4.33Å; F75-Q208 HydrophobicContact CD2-CB 3.62Å; F75-Q208 HydrophobicContact CE2-CB 4.42Å; F75-Q208 HydrophobicContact CG-CB 4.38Å; I76-Q208 PolarHBondContact N-O 3.3Å; G205-Q208 PolarHBondContact O-NE2 3.48Å
209	V	96.1	Very high	94.7	Very high	67 Å²	67	68.1 Å²	68.1	41%	0.406	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.1	-178.4	-174	0	0	0	0	108.8	I76 L213	I76-V209 HydrophobicContact CD1-CG2 4.45Å; V209-L213 HydrophobicContact CG1-CB 4.01Å; V209-L213 HydrophobicContact CG1-CD2 3.5Å; V209-L213 VanDerWaalsContact CG1-CD2 3.5Å; V209-L213 HydrophobicContact CG1-CG 4.36Å
210	A	95.7	Very high	94.5	Very high	20 Å²	20	69.9 Å²	69.9	17%	0.165	39%	0.393	C	S	.	.			trans	-62.8	135.6	176.3	0	0	0	0	0	111.9	F75 I76 G212 L213	F75-A210 HydrophobicContact CE1-CB 4.1Å; F75-A210 HydrophobicContact CZ-CB 3.85Å; I76-A210 WeakPolarHBondContact O-CB 3.41Å; I76-A210 PolarHBondContact O-N 2.8Å; A210-G212 PolarHBondContact O-N 2.64Å; A210-L213 VanDerWaalsContact O-CB 3.25Å; A210-L213 WeakPolarHBondContact O-CB 3.26Å; A210-L213 PolarHBondContact O-N 2.83Å; A210-L213 VanDerWaalsContact O-N 3.13Å
211	E	93.1	Very high	94.2	Very high	199 Å²	199	70.2 Å²	70.2	93%	0.93	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	134.6	176.8	-65.7	-176.8	-177.8	0	0	111.1	L213	E211-L213 VanDerWaalsContact C-N 3.26Å; E211-L213 PolarHBondContact O-N 2.84Å
212	G	91.4	Very high	93.6	Very high	70 Å²	70	76.9 Å²	76.9	72%	0.722	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	5.6	-177.8	0	0	0	0	0	115.6	A210 T214	A210-G212 PolarHBondContact O-N 2.64Å; G212-T214 PolarHBondContact O-N 3Å
213	L	93.9	Very high	93	Very high	51 Å²	51	82.5 Å²	82.5	27%	0.267	46%	0.458	S	S	.	.			trans	-59.3	121.2	173.1	-177.3	66.9	0	0	0	110.5	I76 F79 V209 A210 E211	I76-L213 HydrophobicContact CG2-CD2 3.95Å; F79-L213 HydrophobicContact CB-CD2 3.97Å; V209-L213 HydrophobicContact CG1-CB 4.01Å; V209-L213 HydrophobicContact CG1-CD2 3.5Å; V209-L213 VanDerWaalsContact CG1-CD2 3.5Å; V209-L213 HydrophobicContact CG1-CG 4.36Å; A210-L213 VanDerWaalsContact O-CB 3.25Å; A210-L213 WeakPolarHBondContact O-CB 3.26Å; A210-L213 PolarHBondContact O-N 2.83Å; A210-L213 VanDerWaalsContact O-N 3.13Å; E211-L213 VanDerWaalsContact C-N 3.26Å; E211-L213 PolarHBondContact O-N 2.84Å
214	T	93.9	Very high	92.8	Very high	121 Å²	121	75.8 Å²	75.8	74%	0.742	43%	0.431	S	S	*	.			trans	-134.8	149.9	-178.3	44.8	0	0	0	0	111	G212	G212-T214 PolarHBondContact O-N 3Å
215	L	95.3	Very high	92.9	Very high	15 Å²	15	72.2 Å²	72.2	8%	0.079	41%	0.412	C	S	.	.			trans	-115.5	129	-177.3	-69.3	172.7	0	0	0	110.1	F79 I82 Q217 F218 L220 L247 Q250	F79-L215 HydrophobicContact CB-CD2 4.27Å; F79-L215 HydrophobicContact CD1-CD1 4.11Å; F79-L215 HydrophobicContact CD1-CD2 3.99Å; F79-L215 WeakPolarHBondContact O-CD2 3.33Å; I82-L215 HydrophobicContact CD1-CD1 4.32Å; L215-Q217 VanDerWaalsContact C-N 3.29Å; L215-Q217 PolarHBondContact O-N 3.11Å; L215-F218 HydrophobicContact CB-CB 4.23Å; L215-F218 WeakPolarHBondContact CB-O 3.24Å; L215-F218 HydrophobicContact CD1-CB 4.12Å; L215-L220 HydrophobicContact CD1-CB 4.22Å; L215-L247 HydrophobicContact CD1-CD2 3.69Å; L215-Q250 PolarHBondContact O-NE2 3.22Å
216	P	93.6	Very high	93.1	Very high	126 Å²	126	73.9 Å²	73.9	82%	0.818	41%	0.411	S	S	*	.	S	Bend	trans	-68.4	-18.8	-176.4	-25	35.2	0	0	0	116.3
217	Q	94	Very high	93.1	Very high	79 Å²	79	77.3 Å²	77.3	37%	0.369	42%	0.422	S	S	.	.	S	Bend	trans	-119.9	-10.9	-176.6	-66.3	-166.1	92.2	0	0	113.8	L215 Q250	L215-Q217 VanDerWaalsContact C-N 3.29Å; L215-Q217 PolarHBondContact O-N 3.11Å; Q217-Q250 PolarHBondContact O-N 3.02Å
218	F	96.1	Very high	93.1	Very high	3 Å²	3	83.1 Å²	83.1	1%	0.013	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	169.6	-170.4	-66.9	-88.7	0	0	0	110.7	I82 Q181 L215 L247 E248 R249 Q250	I82-F218 HydrophobicContact CB-CE2 4.03Å; I82-F218 HydrophobicContact CD1-CD2 3.45Å; I82-F218 VanDerWaalsContact CD1-CD2 3.45Å; I82-F218 HydrophobicContact CD1-CE2 3.79Å; I82-F218 HydrophobicContact CD1-CG 4.13Å; I82-F218 HydrophobicContact CG2-CE2 3.7Å; I82-F218 HydrophobicContact CG2-CZ 4.03Å; Q181-F218 HydrophobicContact CG-CE1 4.41Å; L215-F218 HydrophobicContact CB-CB 4.23Å; L215-F218 WeakPolarHBondContact CB-O 3.24Å; L215-F218 HydrophobicContact CD1-CB 4.12Å; F218-L247 HydrophobicContact CB-CB 4.44Å; F218-L247 HydrophobicContact CD1-CB 3.9Å; F218-L247 HydrophobicContact CG-CB 4.35Å; F218-E248 CarbonylContact C-O 3.53Å; F218-E248 VanDerWaalsContact CA-O 3.23Å; F218-E248 WeakPolarHBondContact CA-O 3.49Å; F218-R249 HydrophobicContact CD1-CB 4.17Å; F218-R249 HydrophobicContact CE1-CB 4.09Å; F218-R249 HydrophobicContact CE1-CG 4.3Å; F218-Q250 PolarHBondContact O-NE2 2.77Å
219	I	95.1	Very high	93.2	Very high	86 Å²	86	81.2 Å²	81.2	44%	0.441	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.6	165.1	-61.2	171.8	0	0	0	105.8	L247 E248 Q250	I219-L247 WeakPolarHBondContact O-CA 3.48Å; I219-E248 PolarHBondContact N-O 2.75Å; I219-E248 PolarHBondContact O-N 3.17Å; I219-Q250 HydrophobicContact CD1-CG 4.34Å; I219-Q250 HydrophobicContact CG1-CG 3.95Å
220	L	94.6	Very high	93.3	Very high	38 Å²	38	80.2 Å²	80.2	20%	0.199	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.7	168.5	178.7	61.9	0	0	0	107.7	L215 F245 L247	L215-L220 HydrophobicContact CD1-CB 4.22Å; L220-F245 HydrophobicContact CD1-CB 3.91Å; L220-F245 HydrophobicContact CD1-CD1 4.28Å; L220-L247 HydrophobicContact CB-CD2 4.27Å; L220-L247 HydrophobicContact CD1-CD2 3.89Å
221	K	92	Very high	93.3	Very high	71 Å²	71	81.2 Å²	81.2	31%	0.309	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	144.7	171.1	-63.9	-69	176.3	-179	0	110.3	E223 H246 E248	K221-E223 VanDerWaalsContact C-N 3.3Å; K221-H246 HydrophobicContact CB-CB 4.1Å; K221-H246 HydrophobicContact CG-CB 3.82Å; K221-H246 PolarHBondContact N-O 2.9Å; K221-E248 VanDerWaalsContact CE-OE2 3.24Å; K221-E248 WeakPolarHBondContact CE-OE2 3.38Å; K221-E248 IonicContact NZ-OE2 2.63Å; K221-E248 PolarHBondContact NZ-OE2 2.83Å
222	D	85.2	Confident	93.5	Very high	166 Å²	166	78.3 Å²	78.3	89%	0.888	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	-33.5	177.3	-50.6	-69.3	0	0	0	111.7
223	E	83.9	Confident	93.7	Very high	169 Å²	169	80.2 Å²	80.2	79%	0.79	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.7	172	-66.8	177.1	179.9	0	0	110.1	K221	K221-E223 VanDerWaalsContact C-N 3.3Å
224	S	87	Confident	93.9	Very high	42 Å²	42	85.8 Å²	85.8	29%	0.294	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.9	175.3	55.1	0	0	0	0	110.2	R244	S224-R244 WeakPolarHBondContact CA-O 3.16Å; S224-R244 WeakPolarHBondContact CB-O 3.31Å
225	D	92.6	Very high	93.9	Very high	50 Å²	50	84.9 Å²	84.9	27%	0.267	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.8	-161.3	-154.6	42.9	0	0	0	109.8	R227 V243 R244	D225-R227 IonicContact OD2-CZ 3.82Å; D225-R227 IonicContact OD2-NE 2.78Å; D225-R227 PolarHBondContact OD2-NE 3.5Å; D225-R227 IonicContact OD2-NH2 3.91Å; D225-R227 PolarHBondContact OD2-NH2 2.96Å; D225-V243 CarbonylContact O-C 3.59Å; D225-V243 WeakPolarHBondContact O-CA 3.35Å; D225-R244 HydrophobicContact CB-CB 3.83Å; D225-R244 HydrophobicContact CB-CG 3.99Å; D225-R244 PolarHBondContact N-O 2.73Å; D225-R244 VanDerWaalsContact N-O 3.15Å; D225-R244 PolarHBondContact O-N 3.22Å
226	L	95.4	Very high	94	Very high	72 Å²	72	85.4 Å²	85.4	38%	0.377	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.8	-172.3	-57.5	174.4	0	0	0	110.1	W201 P206 V207 V243	W201-L226 HydrophobicContact CD2-CD2 4.14Å; W201-L226 HydrophobicContact CG-CD2 4.25Å; W201-L226 HydrophobicContact CZ2-CD2 4.47Å; P206-L226 HydrophobicContact CB-CD1 4.2Å; P206-L226 HydrophobicContact CG-CD1 3.41Å; P206-L226 VanDerWaalsContact CG-CD1 3.41Å; V207-L226 HydrophobicContact CG2-CD2 3.88Å; L226-V243 HydrophobicContact CD2-CB 3.99Å; L226-V243 HydrophobicContact CD2-CG2 3.96Å
227	R	94.8	Very high	94.2	Very high	91 Å²	91	84 Å²	84	34%	0.343	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.6	-177.3	-56.1	-168.2	-170.2	-160.4	5.2	110.9	D225 E242 P454	D225-R227 IonicContact OD2-CZ 3.82Å; D225-R227 IonicContact OD2-NE 2.78Å; D225-R227 PolarHBondContact OD2-NE 3.5Å; D225-R227 IonicContact OD2-NH2 3.91Å; D225-R227 PolarHBondContact OD2-NH2 2.96Å; R227-E242 PolarHBondContact N-O 3.04Å; R227-E242 WeakPolarHBondContact O-CA 3.3Å; R227-E242 WeakPolarHBondContact O-CB 3.43Å; R227-E242 PolarHBondContact O-N 2.94Å; R227-P454 PolarHBondContact NH1-OXT 3.21Å; R227-P454 PolarHBondContact NH2-OXT 2.85Å
228	Y	96.8	Very high	94.4	Very high	149 Å²	149	80.7 Å²	80.7	58%	0.584	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	136.3	169.7	-67.5	-82.8	0	0	0	109.8	I241	Y228-I241 HydrophobicContact CD1-CG2 3.82Å; Y228-I241 HydrophobicContact CE1-CG2 3.89Å
229	C	96.9	Very high	94.5	Very high	20 Å²	20	80.7 Å²	80.7	14%	0.135	40%	0.401	C	S	.	.			trans	-117.9	22	-176.1	51.5	0	0	0	0	113.4	Q186 K231 C240 I241 E242	Q186-C229 HydrophobicContact CG-CB 4.47Å; C229-K231 WeakPolarHBondContact O-CD 3.35Å; C229-K231 WeakPolarHBondContact O-CE 3.4Å; C229-K231 PolarHBondContact O-N 3.41Å; C229-C240 VanDerWaalsContact C-CB 3.5Å; C229-C240 HydrophobicContact CB-CB 4.03Å; C229-C240 WeakPolarHBondContact CB-SG 3.42Å; C229-C240 PolarHBondContact N-O 3.47Å; C229-C240 WeakPolarHBondContact O-CB 3.45Å; C229-C240 PolarHBondContact O-SG 2.93Å; C229-C240 WeakPolarHBondContact SG-CB 3.39Å; C229-C240 PolarHBondContact SG-O 3.11Å; C229-C240 CovalentContact SG-SG 2.04Å; C229-C240 PolarHBondContact SG-SG 2.68Å; C229-I241 PolarHBondContact SG-N 2.89Å; C229-I241 PolarHBondContact SG-O 3.47Å; C229-E242 HydrophobicContact CB-CB 4.06Å
230	T	97.5	Very high	94.7	Very high	46 Å²	46	76.6 Å²	76.6	28%	0.282	38%	0.38	S	S	.	.			trans	-40.9	116.9	-169.8	-43.6	0	0	0	0	114.1	M194 K237 F238	M194-T230 HydrophobicContact CG-CG2 4.14Å; M194-T230 HydrophobicContact SD-CG2 3.88Å; T230-K237 HydrophobicContact CG2-CD 4.34Å; T230-K237 HydrophobicContact CG2-CG 4.03Å; T230-F238 VanDerWaalsContact CG2-O 3.29Å; T230-F238 WeakPolarHBondContact CG2-O 3.35Å
231	K	95.9	Very high	94.9	Very high	41 Å²	41	74.8 Å²	74.8	18%	0.178	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.6	-172.1	-54.8	-62.5	173.1	65.9	0	112.4	E188 C229 Y233 K237 F238 C240	E188-K231 VanDerWaalsContact CD-CG 3.44Å; E188-K231 HydrophobicContact CG-CG 4.45Å; E188-K231 WeakPolarHBondContact OE1-CG 3.28Å; E188-K231 WeakPolarHBondContact OE2-CG 3.31Å; E188-K231 IonicContact OE2-NZ 2.92Å; E188-K231 PolarHBondContact OE2-NZ 3.25Å; C229-K231 WeakPolarHBondContact O-CD 3.35Å; C229-K231 WeakPolarHBondContact O-CE 3.4Å; C229-K231 PolarHBondContact O-N 3.41Å; K231-Y233 HydrophobicContact CB-CD2 4.45Å; K231-Y233 HydrophobicContact CB-CE1 4.26Å; K231-Y233 HydrophobicContact CB-CE2 3.75Å; K231-Y233 HydrophobicContact CG-CE2 4.42Å; K231-Y233 WeakPolarHBondContact CG-OH 3.46Å; K231-K237 WeakPolarHBondContact O-CA 3.29Å; K231-F238 PolarHBondContact N-O 2.97Å; K231-F238 VanDerWaalsContact N-O 3.11Å; K231-F238 PolarHBondContact O-N 2.94Å; K231-C240 HydrophobicContact CG-CB 4.26Å
232	H	97.4	Very high	95.1	Very high	138 Å²	138	71.9 Å²	71.9	64%	0.639	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	109	178	-77.4	-110.6	0	0	0	108.6	K237	H232-K237 VanDerWaalsContact NE2-CE 3.3Å; H232-K237 WeakPolarHBondContact NE2-CE 3.4Å
233	Y	96.4	Very high	95.7	Very high	110 Å²	110	64 Å²	64	43%	0.431	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	171.1	176.2	-54.5	-56.4	0	0	0	110.1	E188 K231 T235 G236 F238	E188-Y233 VanDerWaalsContact OE1-CE2 3.3Å; E188-Y233 WeakPolarHBondContact OE1-CE2 3.27Å; E188-Y233 PolarHBondContact OE1-OH 3.03Å; K231-Y233 HydrophobicContact CB-CD2 4.45Å; K231-Y233 HydrophobicContact CB-CE1 4.26Å; K231-Y233 HydrophobicContact CB-CE2 3.75Å; K231-Y233 HydrophobicContact CG-CE2 4.42Å; K231-Y233 WeakPolarHBondContact CG-OH 3.46Å; Y233-T235 PolarHBondContact O-N 3.41Å; Y233-G236 PolarHBondContact N-O 2.94Å; Y233-G236 PolarHBondContact O-N 2.98Å; Y233-G236 VanDerWaalsContact O-O 3.13Å; Y233-F238 AromaticContact CD2-CD2 3.54Å; Y233-F238 HydrophobicContact CD2-CD2 3.54Å; Y233-F238 AromaticContact CD2-CE2 3.88Å; Y233-F238 HydrophobicContact CD2-CE2 3.88Å; Y233-F238 HydrophobicContact CD2-CG 4.33Å; Y233-F238 HydrophobicContact CE2-CD2 4.13Å
234	N	96.6	Very high	96.3	Very high	168 Å²	168	59 Å²	59	90%	0.898	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23	171.9	61.5	-21.1	0	0	0	113.2
235	T	95.9	Very high	96.8	Very high	103 Å²	103	57.1 Å²	57.1	63%	0.632	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.7	175.6	48.5	0	0	0	0	114.1	Y233 F238	Y233-T235 PolarHBondContact O-N 3.41Å; T235-F238 WeakPolarHBondContact OG1-CE2 3.3Å
236	G	96.8	Very high	96.9	Very high	26 Å²	26	57 Å²	57	27%	0.268	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.8	-168	-178	0	0	0	0	0	114.8	Y233	Y233-G236 PolarHBondContact N-O 2.94Å; Y233-G236 PolarHBondContact O-N 2.98Å; Y233-G236 VanDerWaalsContact O-O 3.13Å
237	K	97.9	Very high	96.9	Very high	95 Å²	95	53.7 Å²	53.7	41%	0.413	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.6	176.3	-174.4	-177.1	178.7	172.2	0	109.5	T193 M194 T230 K231 H232	T193-K237 WeakPolarHBondContact CA-O 3.46Å; T193-K237 WeakPolarHBondContact CB-O 3.42Å; M194-K237 HydrophobicContact CG-CB 4.45Å; M194-K237 HydrophobicContact CG-CD 4.14Å; M194-K237 HydrophobicContact CG-CG 3.87Å; M194-K237 PolarHBondContact N-O 3.48Å; T230-K237 HydrophobicContact CG2-CD 4.34Å; T230-K237 HydrophobicContact CG2-CG 4.03Å; K231-K237 WeakPolarHBondContact O-CA 3.29Å; H232-K237 VanDerWaalsContact NE2-CE 3.3Å; H232-K237 WeakPolarHBondContact NE2-CE 3.4Å
238	F	98.3	Very high	96.9	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143	-169.5	-66.5	-96.6	0	0	0	111.3	S189 F190 Y192 T193 T230 K231 Y233 T235	S189-F238 WeakPolarHBondContact O-CD1 3.47Å; F190-F238 WeakPolarHBondContact O-CE1 3.35Å; Y192-F238 VanDerWaalsContact O-CD1 3.3Å; Y192-F238 WeakPolarHBondContact O-CD1 3.41Å; T193-F238 HydrophobicContact CG2-CE1 4.45Å; T193-F238 HydrophobicContact CG2-CZ 4.36Å; T230-F238 VanDerWaalsContact CG2-O 3.29Å; T230-F238 WeakPolarHBondContact CG2-O 3.35Å; K231-F238 PolarHBondContact N-O 2.97Å; K231-F238 VanDerWaalsContact N-O 3.11Å; K231-F238 PolarHBondContact O-N 2.94Å; Y233-F238 AromaticContact CD2-CD2 3.54Å; Y233-F238 HydrophobicContact CD2-CD2 3.54Å; Y233-F238 AromaticContact CD2-CE2 3.88Å; Y233-F238 HydrophobicContact CD2-CE2 3.88Å; Y233-F238 HydrophobicContact CD2-CG 4.33Å; Y233-F238 HydrophobicContact CE2-CD2 4.13Å; T235-F238 WeakPolarHBondContact OG1-CE2 3.3Å
239	T	98.4	Very high	96.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.1	179.9	-164.1	0	0	0	0	110.8	E188 S189 M194 F199	E188-T239 WeakPolarHBondContact CA-O 3.3Å; E188-T239 WeakPolarHBondContact CG-O 3.39Å; S189-T239 PolarHBondContact N-O 2.85Å; S189-T239 VanDerWaalsContact N-O 3.17Å; M194-T239 WeakPolarHBondContact SD-CA 3.28Å; M194-T239 WeakPolarHBondContact SD-CB 3.38Å; F199-T239 HydrophobicContact CB-CG2 4.04Å; F199-T239 HydrophobicContact CD1-CG2 3.85Å; F199-T239 HydrophobicContact CD2-CG2 3.8Å; F199-T239 HydrophobicContact CE1-CG2 4.26Å; F199-T239 HydrophobicContact CE2-CG2 4.2Å; F199-T239 HydrophobicContact CG-CG2 3.6Å; F199-T239 HydrophobicContact CZ-CG2 4.42Å; F199-T239 PolarHBondContact N-OG1 3.49Å
240	C	98.4	Very high	96.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	127.9	-177.8	-177.5	0	0	0	0	109.6	L187 E188 C229 K231	L187-C240 CarbonylContact O-C 3.57Å; L187-C240 VanDerWaalsContact O-CA 3.27Å; L187-C240 WeakPolarHBondContact O-CA 3.37Å; E188-C240 HydrophobicContact CB-CB 4.31Å; E188-C240 HydrophobicContact CG-CB 4.11Å; C229-C240 VanDerWaalsContact C-CB 3.5Å; C229-C240 HydrophobicContact CB-CB 4.03Å; C229-C240 WeakPolarHBondContact CB-SG 3.42Å; C229-C240 PolarHBondContact N-O 3.47Å; C229-C240 WeakPolarHBondContact O-CB 3.45Å; C229-C240 PolarHBondContact O-SG 2.93Å; C229-C240 WeakPolarHBondContact SG-CB 3.39Å; C229-C240 PolarHBondContact SG-O 3.11Å; C229-C240 CovalentContact SG-SG 2.04Å; C229-C240 PolarHBondContact SG-SG 2.68Å; K231-C240 HydrophobicContact CG-CB 4.26Å
241	I	98.3	Very high	96.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.7	172.2	60	177.9	0	0	0	110.7	C72 L187 F199 W201 Y228 C229	C72-I241 HydrophobicContact CB-CD1 3.64Å; L187-I241 HydrophobicContact CB-CG1 3.93Å; L187-I241 PolarHBondContact N-O 3.14Å; L187-I241 PolarHBondContact O-N 3.01Å; F199-I241 HydrophobicContact CB-CD1 4.1Å; F199-I241 HydrophobicContact CB-CG1 4.23Å; F199-I241 HydrophobicContact CB-CG2 4.1Å; F199-I241 VanDerWaalsContact O-CG2 3.23Å; F199-I241 WeakPolarHBondContact O-CG2 3.35Å; W201-I241 HydrophobicContact CD2-CD1 3.84Å; W201-I241 HydrophobicContact CE3-CD1 4.05Å; W201-I241 HydrophobicContact CG-CD1 4.33Å; W201-I241 HydrophobicContact CH2-CD1 4.27Å; W201-I241 HydrophobicContact CZ2-CB 4.34Å; W201-I241 HydrophobicContact CZ2-CD1 4.08Å; W201-I241 HydrophobicContact CZ2-CG1 4.05Å; W201-I241 HydrophobicContact CZ3-CD1 4.26Å; Y228-I241 HydrophobicContact CD1-CG2 3.82Å; Y228-I241 HydrophobicContact CE1-CG2 3.89Å; C229-I241 PolarHBondContact SG-N 2.89Å; C229-I241 PolarHBondContact SG-O 3.47Å
242	E	97.4	Very high	96.4	Very high	11 Å²	11	45.5 Å²	45.5	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.8	-175.8	-175.3	174	108.1	0	0	110.3	I184 M185 Q186 W201 R227 C229 R244	I184-E242 HydrophobicContact CB-CG 4.16Å; I184-E242 HydrophobicContact CG2-CG 4.48Å; M185-E242 WeakPolarHBondContact O-CA 3.32Å; Q186-E242 HydrophobicContact CG-CB 4.27Å; Q186-E242 HydrophobicContact CG-CG 4.07Å; Q186-E242 WeakPolarHBondContact CG-OE2 3.26Å; Q186-E242 PolarHBondContact NE2-OE2 3.43Å; W201-E242 PolarHBondContact NE1-O 2.93Å; R227-E242 PolarHBondContact N-O 3.04Å; R227-E242 WeakPolarHBondContact O-CA 3.3Å; R227-E242 WeakPolarHBondContact O-CB 3.43Å; R227-E242 PolarHBondContact O-N 2.94Å; C229-E242 HydrophobicContact CB-CB 4.06Å; E242-R244 HydrophobicContact CG-CG 4.43Å; E242-R244 IonicContact OE1-CZ 3.22Å; E242-R244 IonicContact OE1-NE 2.65Å; E242-R244 PolarHBondContact OE1-NE 3.34Å; E242-R244 IonicContact OE1-NH2 2.73Å; E242-R244 PolarHBondContact OE1-NH2 2.92Å
243	V	97.4	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.5	163.2	54.8	0	0	0	0	109	I74 I184 M185 W201 V207 D225 L226 F245	I74-V243 HydrophobicContact CD1-CG1 3.98Å; I184-V243 WeakPolarHBondContact CA-O 3.41Å; M185-V243 HydrophobicContact CB-CG1 3.81Å; M185-V243 HydrophobicContact CG-CG1 4.48Å; M185-V243 PolarHBondContact N-O 3Å; M185-V243 PolarHBondContact O-N 3.1Å; M185-V243 VanDerWaalsContact O-N 3.08Å; M185-V243 HydrophobicContact SD-CG1 4.31Å; W201-V243 HydrophobicContact CH2-CB 4.17Å; W201-V243 HydrophobicContact CH2-CG1 4Å; W201-V243 HydrophobicContact CZ2-CB 3.75Å; W201-V243 HydrophobicContact CZ2-CG1 3.95Å; V207-V243 HydrophobicContact CG2-CB 4.42Å; V207-V243 HydrophobicContact CG2-CG2 3.7Å; D225-V243 CarbonylContact O-C 3.59Å; D225-V243 WeakPolarHBondContact O-CA 3.35Å; L226-V243 HydrophobicContact CD2-CB 3.99Å; L226-V243 HydrophobicContact CD2-CG2 3.96Å; V243-F245 HydrophobicContact CB-CZ 4.32Å; V243-F245 HydrophobicContact CG1-CE1 4.46Å; V243-F245 HydrophobicContact CG1-CE2 3.89Å; V243-F245 HydrophobicContact CG1-CZ 3.61Å; V243-F245 HydrophobicContact CG2-CD1 4.38Å; V243-F245 HydrophobicContact CG2-CE1 3.7Å; V243-F245 HydrophobicContact CG2-CE2 4.34Å; V243-F245 HydrophobicContact CG2-CZ 3.68Å
244	R	96.8	Very high	96.3	Very high	65 Å²	65	39.7 Å²	39.7	25%	0.245	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.9	175.8	-39.8	-174.4	157.7	-169.9	-11.7	111.2	T182 I184 S224 D225 E242	T182-R244 HydrophobicContact CG2-CB 3.84Å; T182-R244 HydrophobicContact CG2-CG 4.47Å; I184-R244 HydrophobicContact CG2-CB 4.37Å; I184-R244 HydrophobicContact CG2-CG 3.99Å; S224-R244 WeakPolarHBondContact CA-O 3.16Å; S224-R244 WeakPolarHBondContact CB-O 3.31Å; D225-R244 HydrophobicContact CB-CB 3.83Å; D225-R244 HydrophobicContact CB-CG 3.99Å; D225-R244 PolarHBondContact N-O 2.73Å; D225-R244 VanDerWaalsContact N-O 3.15Å; D225-R244 PolarHBondContact O-N 3.22Å; E242-R244 HydrophobicContact CG-CG 4.43Å; E242-R244 IonicContact OE1-CZ 3.22Å; E242-R244 IonicContact OE1-NE 2.65Å; E242-R244 PolarHBondContact OE1-NE 3.34Å; E242-R244 IonicContact OE1-NH2 2.73Å; E242-R244 PolarHBondContact OE1-NH2 2.92Å
245	F	96.4	Very high	96.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.6	177	-54.4	-67.9	0	0	0	109.3	I74 I76 F79 Y89 T182 C183 M185 V207 L220 V243	I74-F245 HydrophobicContact CD1-CZ 4.06Å; I76-F245 HydrophobicContact CD1-CD1 4.26Å; I76-F245 HydrophobicContact CD1-CE1 3.45Å; I76-F245 VanDerWaalsContact CD1-CE1 3.45Å; I76-F245 HydrophobicContact CD1-CZ 3.76Å; F79-F245 HydrophobicContact CE2-CB 4.13Å; F79-F245 HydrophobicContact CE2-CD1 4.32Å; F79-F245 AromaticContact CE2-CD2 3.91Å; F79-F245 HydrophobicContact CE2-CD2 3.91Å; F79-F245 HydrophobicContact CE2-CE2 4.44Å; F79-F245 AromaticContact CE2-CG 3.83Å; F79-F245 HydrophobicContact CE2-CG 3.83Å; F79-F245 HydrophobicContact CZ-CB 4.19Å; F79-F245 HydrophobicContact CZ-CD2 4.38Å; F79-F245 HydrophobicContact CZ-CG 4.33Å; Y89-F245 HydrophobicContact CE2-CD2 4.4Å; T182-F245 WeakPolarHBondContact CA-O 3.2Å; C183-F245 PolarHBondContact N-O 3.32Å; C183-F245 WeakPolarHBondContact O-CD2 3.24Å; C183-F245 PolarHBondContact O-N 2.88Å; M185-F245 HydrophobicContact CB-CE2 4.06Å; M185-F245 HydrophobicContact CE-CE2 4.18Å; M185-F245 HydrophobicContact CE-CZ 4.38Å; V207-F245 HydrophobicContact CG1-CE1 4.21Å; L220-F245 HydrophobicContact CD1-CB 3.91Å; L220-F245 HydrophobicContact CD1-CD1 4.28Å; V243-F245 HydrophobicContact CB-CZ 4.32Å; V243-F245 HydrophobicContact CG1-CE1 4.46Å; V243-F245 HydrophobicContact CG1-CE2 3.89Å; V243-F245 HydrophobicContact CG1-CZ 3.61Å; V243-F245 HydrophobicContact CG2-CD1 4.38Å; V243-F245 HydrophobicContact CG2-CE1 3.7Å; V243-F245 HydrophobicContact CG2-CE2 4.34Å; V243-F245 HydrophobicContact CG2-CZ 3.68Å
246	H	95.3	Very high	96.2	Very high	48 Å²	48	35.4 Å²	35.4	22%	0.222	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.8	176	-57.6	-73.7	0	0	0	109.7	T182 K221	T182-H246 PolarHBondContact OG1-ND1 3.16Å; K221-H246 HydrophobicContact CB-CB 4.1Å; K221-H246 HydrophobicContact CG-CB 3.82Å; K221-H246 PolarHBondContact N-O 2.9Å
247	L	95.6	Very high	96	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	101.2	-171.9	-64.5	170.2	0	0	0	109.3	F79 I82 V180 Q181 C183 L215 F218 I219 L220	F79-L247 HydrophobicContact CE1-CD1 3.91Å; F79-L247 HydrophobicContact CE1-CD2 3.95Å; F79-L247 HydrophobicContact CZ-CD1 4Å; F79-L247 HydrophobicContact CZ-CD2 4.11Å; I82-L247 HydrophobicContact CD1-CD1 4.06Å; V180-L247 WeakPolarHBondContact CA-O 3.42Å; Q181-L247 HydrophobicContact CB-CB 4.42Å; Q181-L247 PolarHBondContact N-O 3Å; Q181-L247 PolarHBondContact O-N 3.32Å; C183-L247 HydrophobicContact CB-CD1 4.19Å; L215-L247 HydrophobicContact CD1-CD2 3.69Å; F218-L247 HydrophobicContact CB-CB 4.44Å; F218-L247 HydrophobicContact CD1-CB 3.9Å; F218-L247 HydrophobicContact CG-CB 4.35Å; I219-L247 WeakPolarHBondContact O-CA 3.48Å; L220-L247 HydrophobicContact CB-CD2 4.27Å; L220-L247 HydrophobicContact CD1-CD2 3.89Å
248	E	94.2	Very high	95.8	Very high	24 Å²	24	35.5 Å²	35.5	11%	0.112	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.2	179.5	179	167.7	-156.1	0	0	110.8	V180 F218 I219 K221 R447	V180-E248 HydrophobicContact CG2-CB 4.21Å; V180-E248 HydrophobicContact CG2-CG 4.14Å; F218-E248 CarbonylContact C-O 3.53Å; F218-E248 VanDerWaalsContact CA-O 3.23Å; F218-E248 WeakPolarHBondContact CA-O 3.49Å; I219-E248 PolarHBondContact N-O 2.75Å; I219-E248 PolarHBondContact O-N 3.17Å; K221-E248 VanDerWaalsContact CE-OE2 3.24Å; K221-E248 WeakPolarHBondContact CE-OE2 3.38Å; K221-E248 IonicContact NZ-OE2 2.63Å; K221-E248 PolarHBondContact NZ-OE2 2.83Å; E248-R447 IonicContact OE1-CZ 3.55Å; E248-R447 IonicContact OE1-NE 2.76Å; E248-R447 PolarHBondContact OE1-NE 3.3Å; E248-R447 IonicContact OE1-NH2 3.24Å; E248-R447 PolarHBondContact OE1-NH2 2.81Å
249	R	95.4	Very high	95.7	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136	-175.2	-168.5	178.3	-63.5	-84.1	-3	112.8	E84 P177 D179 F218 M251 Y254	E84-R249 IonicContact OE1-CZ 3.74Å; E84-R249 VanDerWaalsContact OE1-CZ 3.29Å; E84-R249 IonicContact OE1-NH1 2.83Å; E84-R249 PolarHBondContact OE1-NH1 2.77Å; E84-R249 IonicContact OE1-NH2 2.64Å; E84-R249 PolarHBondContact OE1-NH2 3.15Å; P177-R249 WeakPolarHBondContact O-CD 3.23Å; D179-R249 WeakPolarHBondContact O-CB 3.36Å; D179-R249 PolarHBondContact O-N 3.04Å; D179-R249 VanDerWaalsContact O-N 3.09Å; D179-R249 VanDerWaalsContact OD1-CD 3.3Å; D179-R249 WeakPolarHBondContact OD1-CD 3.15Å; D179-R249 IonicContact OD1-CZ 3.68Å; D179-R249 IonicContact OD1-NE 2.87Å; D179-R249 PolarHBondContact OD1-NE 2.78Å; D179-R249 IonicContact OD1-NH2 3.27Å; D179-R249 IonicContact OD2-CZ 3.39Å; D179-R249 IonicContact OD2-NE 2.69Å; D179-R249 PolarHBondContact OD2-NE 3.43Å; D179-R249 IonicContact OD2-NH2 3.7Å; D179-R249 PolarHBondContact OD2-NH2 2.93Å; F218-R249 HydrophobicContact CD1-CB 4.17Å; F218-R249 HydrophobicContact CE1-CB 4.09Å; F218-R249 HydrophobicContact CE1-CG 4.3Å; R249-M251 PolarHBondContact O-N 2.85Å; R249-Y254 HydrophobicContact CG-CE2 3.89Å; R249-Y254 PolarHBondContact NH1-OH 2.99Å; R249-Y254 VanDerWaalsContact NH1-OH 3.1Å
250	Q	94.8	Very high	95.7	Very high	84 Å²	84	39.4 Å²	39.4	39%	0.393	19%	0.194	S	C	.	.			trans	-79.5	114.5	175.6	-67.2	-166.2	19.2	0	0	111.7	L215 Q217 F218 I219 G252	L215-Q250 PolarHBondContact O-NE2 3.22Å; Q217-Q250 PolarHBondContact O-N 3.02Å; F218-Q250 PolarHBondContact O-NE2 2.77Å; I219-Q250 HydrophobicContact CD1-CG 4.34Å; I219-Q250 HydrophobicContact CG1-CG 3.95Å; Q250-G252 PolarHBondContact O-N 2.66Å
251	M	93.1	Very high	95.6	Very high	26 Å²	26	41.6 Å²	41.6	13%	0.128	21%	0.208	C	C	.	.			trans	-75.3	-21.2	-171.4	-167.9	58.3	-175.2	0	0	114.7	P177 M178 R249 Y253 Y254 L255 Y259 W440	P177-M251 HydrophobicContact CB-SD 4.38Å; P177-M251 HydrophobicContact CG-CE 3.99Å; P177-M251 HydrophobicContact CG-SD 3.87Å; M178-M251 HydrophobicContact CG-CE 3.87Å; M178-M251 HydrophobicContact CG-SD 3.64Å; M178-M251 HydrophobicContact SD-CE 4.15Å; R249-M251 PolarHBondContact O-N 2.85Å; M251-Y253 PolarHBondContact O-N 3.04Å; M251-Y254 PolarHBondContact O-N 2.85Å; M251-L255 HydrophobicContact CE-CD2 4.14Å; M251-L255 HydrophobicContact CE-CG 4.38Å; M251-L255 HydrophobicContact CG-CD1 4.16Å; M251-L255 HydrophobicContact CG-CG 4.03Å; M251-L255 PolarHBondContact O-N 3.06Å; M251-L255 VanDerWaalsContact O-N 3.1Å; M251-Y259 HydrophobicContact CE-CD2 3.93Å; M251-Y259 HydrophobicContact CE-CE2 3.32Å; M251-W440 HydrophobicContact CE-CH2 3.66Å; M251-W440 HydrophobicContact CE-CZ3 3.76Å
252	G	94.3	Very high	95.6	Very high	40 Å²	40	41.6 Å²	41.6	41%	0.412	21%	0.208	S	C	.	.	H	α-helix	trans	-58.9	-41.3	-169.3	0	0	0	0	0	114.7	Q250 L255 I256	Q250-G252 PolarHBondContact O-N 2.66Å; G252-L255 PolarHBondContact O-N 3.36Å; G252-I256 WeakPolarHBondContact O-CG1 3.13Å; G252-I256 PolarHBondContact O-N 3.45Å
253	Y	95.1	Very high	95.6	Very high	114 Å²	114	43.7 Å²	43.7	45%	0.447	22%	0.219	S	C	.	.	H	α-helix	trans	-59.2	-48.1	176.4	168.4	-99	0	0	0	112	M251 L255 I256 Q257	M251-Y253 PolarHBondContact O-N 3.04Å; Y253-L255 PolarHBondContact O-N 3.22Å; Y253-I256 PolarHBondContact O-N 2.99Å; Y253-Q257 HydrophobicContact CD2-CG 4.28Å; Y253-Q257 HydrophobicContact CE2-CG 3.91Å; Y253-Q257 VanDerWaalsContact CE2-OE1 3.25Å; Y253-Q257 VanDerWaalsContact CZ-OE1 3.26Å; Y253-Q257 PolarHBondContact O-N 3.46Å; Y253-Q257 PolarHBondContact OH-OE1 2.96Å
254	Y	95.1	Very high	95.6	Very high	11 Å²	11	48.4 Å²	48.4	4%	0.043	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-34.9	-177.6	-55.7	-79.5	0	0	0	112.2	F176 P177 R249 M251 I256 M258 Y259	F176-Y254 HydrophobicContact CE1-CE1 4.38Å; F176-Y254 HydrophobicContact CE2-CE1 4.08Å; F176-Y254 HydrophobicContact CZ-CD1 4.18Å; F176-Y254 AromaticContact CZ-CE1 3.52Å; F176-Y254 HydrophobicContact CZ-CE1 3.52Å; P177-Y254 HydrophobicContact CB-CD1 3.8Å; P177-Y254 HydrophobicContact CB-CD2 3.61Å; P177-Y254 HydrophobicContact CB-CE1 4.1Å; P177-Y254 HydrophobicContact CB-CE2 3.91Å; P177-Y254 HydrophobicContact CB-CG 3.54Å; P177-Y254 HydrophobicContact CG-CD1 4.11Å; P177-Y254 HydrophobicContact CG-CD2 4.16Å; P177-Y254 HydrophobicContact CG-CG 3.72Å; R249-Y254 HydrophobicContact CG-CE2 3.89Å; R249-Y254 PolarHBondContact NH1-OH 2.99Å; R249-Y254 VanDerWaalsContact NH1-OH 3.1Å; M251-Y254 PolarHBondContact O-N 2.85Å; Y254-I256 VanDerWaalsContact C-N 3.34Å; Y254-I256 PolarHBondContact O-N 3.33Å; Y254-M258 HydrophobicContact CD1-CE 3.91Å; Y254-M258 HydrophobicContact CD1-SD 3.97Å; Y254-M258 HydrophobicContact CE1-CE 4.25Å; Y254-M258 WeakPolarHBondContact O-CA 3.43Å; Y254-M258 WeakPolarHBondContact O-CB 3.23Å; Y254-M258 PolarHBondContact O-N 3.22Å; Y254-Y259 WeakPolarHBondContact O-CD2 3.09Å; Y254-Y259 PolarHBondContact O-N 3.32Å; Y254-Y259 VanDerWaalsContact O-N 3.14Å
255	L	95.3	Very high	95.6	Very high	63 Å²	63	46.5 Å²	46.5	33%	0.33	24%	0.238	S	C	.	.	I	π-helix	trans	-57.5	-47.7	172.7	-72.1	173	0	0	0	111.6	M251 G252 Y253 Y259 I260 W440	M251-L255 HydrophobicContact CE-CD2 4.14Å; M251-L255 HydrophobicContact CE-CG 4.38Å; M251-L255 HydrophobicContact CG-CD1 4.16Å; M251-L255 HydrophobicContact CG-CG 4.03Å; M251-L255 PolarHBondContact O-N 3.06Å; M251-L255 VanDerWaalsContact O-N 3.1Å; G252-L255 PolarHBondContact O-N 3.36Å; Y253-L255 PolarHBondContact O-N 3.22Å; L255-Y259 HydrophobicContact CD2-CD2 4.22Å; L255-Y259 HydrophobicContact CD2-CG 4.3Å; L255-I260 WeakPolarHBondContact O-CB 3.29Å; L255-I260 WeakPolarHBondContact O-CG1 3.39Å; L255-I260 PolarHBondContact O-N 3.39Å; L255-W440 HydrophobicContact CD2-CH2 3.68Å; L255-W440 HydrophobicContact CD2-CZ2 4.15Å
256	I	95.7	Very high	95.7	Very high	118 Å²	118	46.4 Å²	46.4	61%	0.605	24%	0.238	S	C	*	.	I	π-helix	trans	-73.5	-42.3	-176.5	-63.4	172.1	0	0	0	111.9	G252 Y253 Y254 P261	G252-I256 WeakPolarHBondContact O-CG1 3.13Å; G252-I256 PolarHBondContact O-N 3.45Å; Y253-I256 PolarHBondContact O-N 2.99Å; Y254-I256 VanDerWaalsContact C-N 3.34Å; Y254-I256 PolarHBondContact O-N 3.33Å; I256-P261 VanDerWaalsContact O-CD 3.26Å; I256-P261 WeakPolarHBondContact O-CD 3.06Å; I256-P261 WeakPolarHBondContact O-CG 3.15Å
257	Q	93	Very high	95.7	Very high	110 Å²	110	47.4 Å²	47.4	51%	0.514	24%	0.244	S	C	.	.	I	π-helix	trans	-92.5	-22.5	-174.2	-60.8	-154.7	-2.9	0	0	115	Y253	Y253-Q257 HydrophobicContact CD2-CG 4.28Å; Y253-Q257 HydrophobicContact CE2-CG 3.91Å; Y253-Q257 VanDerWaalsContact CE2-OE1 3.25Å; Y253-Q257 VanDerWaalsContact CZ-OE1 3.26Å; Y253-Q257 PolarHBondContact O-N 3.46Å; Y253-Q257 PolarHBondContact OH-OE1 2.96Å
258	M	94.1	Very high	95.8	Very high	13 Å²	13	51.6 Å²	51.6	6%	0.064	27%	0.266	C	S	.	.	I	π-helix	trans	-116.6	-59.6	-176.1	-55.2	-170.8	-177.1	0	0	112.8	Y254 S262 Q297 I314	Y254-M258 HydrophobicContact CD1-CE 3.91Å; Y254-M258 HydrophobicContact CD1-SD 3.97Å; Y254-M258 HydrophobicContact CE1-CE 4.25Å; Y254-M258 WeakPolarHBondContact O-CA 3.43Å; Y254-M258 WeakPolarHBondContact O-CB 3.23Å; Y254-M258 PolarHBondContact O-N 3.22Å; M258-S262 WeakPolarHBondContact O-CB 3.06Å; M258-S262 PolarHBondContact O-N 3.43Å; M258-S262 PolarHBondContact O-OG 3.05Å; M258-Q297 PolarHBondContact O-NE2 2.87Å; M258-Q297 VanDerWaalsContact O-NE2 3.09Å; M258-I314 HydrophobicContact CB-CD1 4.33Å; M258-I314 HydrophobicContact SD-CD1 4.11Å; M258-I314 HydrophobicContact SD-CG1 4.18Å
259	Y	96.5	Very high	95.9	Very high	6 Å²	6	50.5 Å²	50.5	2%	0.024	26%	0.261	C	S	.	.	I	π-helix	trans	-70.2	-48.5	-171.7	-69.4	-91.9	0	0	0	113.1	P177 M251 Y254 L255 S262 L263 I314 W317 Y439 W440	P177-Y259 WeakPolarHBondContact CD-OH 3.19Å; P177-Y259 HydrophobicContact CG-CE2 3.99Å; M251-Y259 HydrophobicContact CE-CD2 3.93Å; M251-Y259 HydrophobicContact CE-CE2 3.32Å; Y254-Y259 WeakPolarHBondContact O-CD2 3.09Å; Y254-Y259 PolarHBondContact O-N 3.32Å; Y254-Y259 VanDerWaalsContact O-N 3.14Å; L255-Y259 HydrophobicContact CD2-CD2 4.22Å; L255-Y259 HydrophobicContact CD2-CG 4.3Å; Y259-S262 PolarHBondContact O-OG 3.06Å; Y259-S262 VanDerWaalsContact O-OG 3.06Å; Y259-L263 VanDerWaalsContact O-CB 3.24Å; Y259-L263 WeakPolarHBondContact O-CB 3.34Å; Y259-L263 PolarHBondContact O-N 3.02Å; Y259-I314 HydrophobicContact CE2-CD1 4.15Å; Y259-W317 AromaticContact CD1-CD2 3.53Å; Y259-W317 HydrophobicContact CD1-CD2 3.53Å; Y259-W317 AromaticContact CD1-CE2 3.44Å; Y259-W317 VanDerWaalsContact CD1-CE2 3.44Å; Y259-W317 AromaticContact CD1-CE3 3.9Å; Y259-W317 HydrophobicContact CD1-CE3 3.9Å; Y259-W317 AromaticContact CD1-CG 3.96Å; Y259-W317 HydrophobicContact CD1-CG 3.96Å; Y259-W317 HydrophobicContact CD1-CH2 4.13Å; Y259-W317 AromaticContact CD1-CZ2 3.78Å; Y259-W317 HydrophobicContact CD1-CZ2 3.78Å; Y259-W317 HydrophobicContact CD1-CZ3 4.18Å; Y259-W317 AromaticContact CD1-NE1 3.78Å; Y259-W317 HydrophobicContact CE1-CB 4.18Å; Y259-W317 AromaticContact CE1-CD2 3.57Å; Y259-W317 HydrophobicContact CE1-CD2 3.57Å; Y259-W317 AromaticContact CE1-CE2 4Å; Y259-W317 AromaticContact CE1-CE3 3.87Å; Y259-W317 HydrophobicContact CE1-CE3 3.87Å; Y259-W317 AromaticContact CE1-CG 3.68Å; Y259-W317 HydrophobicContact CE1-CG 3.68Å; Y259-Y439 AromaticContact CE1-CE1 3.72Å; Y259-Y439 HydrophobicContact CE1-CE1 3.72Å; Y259-Y439 PolarHBondContact OH-OH 2.81Å; Y259-W440 AromaticContact CD1-CH2 3.72Å; Y259-W440 HydrophobicContact CD1-CH2 3.72Å; Y259-W440 AromaticContact CD1-CZ2 3.5Å; Y259-W440 HydrophobicContact CD1-CZ2 3.5Å; Y259-W440 HydrophobicContact CD2-CH2 4.32Å; Y259-W440 AromaticContact CE1-CH2 3.69Å; Y259-W440 HydrophobicContact CE1-CH2 3.69Å; Y259-W440 AromaticContact CE1-CZ2 3.8Å; Y259-W440 HydrophobicContact CE1-CZ2 3.8Å; Y259-W440 HydrophobicContact CE2-CH2 4.3Å; Y259-W440 HydrophobicContact CG-CH2 4.05Å; Y259-W440 HydrophobicContact CG-CZ2 4.04Å; Y259-W440 AromaticContact CZ-CH2 4Å
260	I	97.1	Very high	95.9	Very high	90 Å²	90	52.4 Å²	52.4	46%	0.462	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-48.6	-179.4	-70.8	167.7	0	0	0	111.8	L255 S262 L263 L264	L255-I260 WeakPolarHBondContact O-CB 3.29Å; L255-I260 WeakPolarHBondContact O-CG1 3.39Å; L255-I260 PolarHBondContact O-N 3.39Å; I260-S262 PolarHBondContact O-N 2.85Å; I260-L263 PolarHBondContact O-N 3.23Å; I260-L264 HydrophobicContact CG2-CD1 4.08Å; I260-L264 WeakPolarHBondContact O-CG 3.46Å; I260-L264 PolarHBondContact O-N 2.94Å
261	P	97.4	Very high	95.9	Very high	45 Å²	45	51.8 Å²	51.8	29%	0.292	27%	0.27	S	S	.	.	H	α-helix	trans	-67.1	-35.8	-179.5	-22.3	34.9	0	0	0	113.5	I256 L264 I265	I256-P261 VanDerWaalsContact O-CD 3.26Å; I256-P261 WeakPolarHBondContact O-CD 3.06Å; I256-P261 WeakPolarHBondContact O-CG 3.15Å; P261-L264 PolarHBondContact O-N 3.33Å; P261-I265 VanDerWaalsContact O-CG1 3.31Å; P261-I265 WeakPolarHBondContact O-CG1 3.41Å; P261-I265 PolarHBondContact O-N 3.49Å
262	S	97.4	Very high	95.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.7	-40	175.9	51.8	0	0	0	0	111.9	M258 Y259 I260 L264 I265 V266 Q297 W317	M258-S262 WeakPolarHBondContact O-CB 3.06Å; M258-S262 PolarHBondContact O-N 3.43Å; M258-S262 PolarHBondContact O-OG 3.05Å; Y259-S262 PolarHBondContact O-OG 3.06Å; Y259-S262 VanDerWaalsContact O-OG 3.06Å; I260-S262 PolarHBondContact O-N 2.85Å; S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 3.37Å; S262-I265 PolarHBondContact O-N 2.78Å; S262-V266 WeakPolarHBondContact O-CG2 3.38Å; S262-V266 PolarHBondContact O-N 3.39Å; S262-Q297 VanDerWaalsContact CB-OE1 3.31Å; S262-W317 PolarHBondContact OG-NE1 3.08Å
263	L	97	Very high	95.9	Very high	56 Å²	56	48.8 Å²	48.8	29%	0.293	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-39.5	171.9	178.1	145.1	0	0	0	111.9	Y259 I260 V266 I267 W317 F432	Y259-L263 VanDerWaalsContact O-CB 3.24Å; Y259-L263 WeakPolarHBondContact O-CB 3.34Å; Y259-L263 PolarHBondContact O-N 3.02Å; I260-L263 PolarHBondContact O-N 3.23Å; L263-V266 PolarHBondContact O-N 3.15Å; L263-I267 HydrophobicContact CD2-CD1 3.58Å; L263-I267 HydrophobicContact CD2-CG1 4.48Å; L263-I267 HydrophobicContact CG-CD1 4.35Å; L263-I267 WeakPolarHBondContact O-CG1 3.39Å; L263-I267 PolarHBondContact O-N 3.32Å; L263-W317 HydrophobicContact CB-CZ2 4.4Å; L263-F432 HydrophobicContact CD1-CE1 4.24Å; L263-F432 HydrophobicContact CG-CE1 4.26Å
264	L	97.2	Very high	95.8	Very high	99 Å²	99	51.5 Å²	51.5	52%	0.518	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-37.6	174.2	-71.1	172.5	0	0	0	112.6	I260 P261 S262 I267 L268	I260-L264 HydrophobicContact CG2-CD1 4.08Å; I260-L264 WeakPolarHBondContact O-CG 3.46Å; I260-L264 PolarHBondContact O-N 2.94Å; P261-L264 PolarHBondContact O-N 3.33Å; S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 3.37Å; L264-I267 PolarHBondContact O-N 2.94Å; L264-L268 WeakPolarHBondContact O-CB 3.48Å; L264-L268 PolarHBondContact O-N 2.88Å
265	I	97.7	Very high	95.7	Very high	24 Å²	24	53.1 Å²	53.1	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-40.8	174.1	-66.1	160.3	0	0	0	111	P261 S262 L268 S269 T290 T293 M294 V325	P261-I265 VanDerWaalsContact O-CG1 3.31Å; P261-I265 WeakPolarHBondContact O-CG1 3.41Å; P261-I265 PolarHBondContact O-N 3.49Å; S262-I265 PolarHBondContact O-N 2.78Å; I265-L268 PolarHBondContact O-N 3.33Å; I265-S269 PolarHBondContact O-N 3.19Å; I265-T290 HydrophobicContact CG2-CG2 4.18Å; I265-T293 HydrophobicContact CD1-CG2 3.57Å; I265-T293 HydrophobicContact CG1-CG2 4.24Å; I265-M294 HydrophobicContact CG2-CB 4.22Å; I265-V325 HydrophobicContact CG2-CG2 4.31Å
266	V	97.9	Very high	95.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-47.7	174.1	174.4	0	0	0	0	110.8	S262 L263 L268 S269 W270 C321 F324 V325 F432	S262-V266 WeakPolarHBondContact O-CG2 3.38Å; S262-V266 PolarHBondContact O-N 3.39Å; L263-V266 PolarHBondContact O-N 3.15Å; V266-L268 VanDerWaalsContact C-N 3.32Å; V266-L268 PolarHBondContact O-N 3Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 2.75Å; V266-S269 PolarHBondContact O-OG 3.46Å; V266-W270 HydrophobicContact CG1-CZ2 3.62Å; V266-W270 VanDerWaalsContact O-CD1 3.31Å; V266-W270 PolarHBondContact O-N 3.48Å; V266-W270 PolarHBondContact O-NE1 3.41Å; V266-C321 HydrophobicContact CG2-CB 3.75Å; V266-F324 HydrophobicContact CG1-CB 4.36Å; V266-V325 HydrophobicContact CB-CG2 4.49Å; V266-V325 HydrophobicContact CG2-CG2 3.96Å; V266-F432 HydrophobicContact CB-CE1 4.38Å; V266-F432 HydrophobicContact CB-CZ 4.21Å; V266-F432 HydrophobicContact CG1-CD1 4.06Å; V266-F432 HydrophobicContact CG1-CD2 4.08Å; V266-F432 HydrophobicContact CG1-CE1 3.99Å; V266-F432 HydrophobicContact CG1-CE2 4.03Å; V266-F432 HydrophobicContact CG1-CG 4.1Å; V266-F432 HydrophobicContact CG1-CZ 3.98Å; V266-F432 HydrophobicContact CG2-CE2 4.21Å; V266-F432 HydrophobicContact CG2-CZ 4.09Å
267	I	96.7	Very high	94.9	Very high	70 Å²	70	52 Å²	52	36%	0.359	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-41.4	175.7	-69	171.7	0	0	0	111.5	L263 L264 S269 W270	L263-I267 HydrophobicContact CD2-CD1 3.58Å; L263-I267 HydrophobicContact CD2-CG1 4.48Å; L263-I267 HydrophobicContact CG-CD1 4.35Å; L263-I267 WeakPolarHBondContact O-CG1 3.39Å; L263-I267 PolarHBondContact O-N 3.32Å; L264-I267 PolarHBondContact O-N 2.94Å; I267-S269 VanDerWaalsContact C-N 3.27Å; I267-S269 PolarHBondContact O-N 3.46Å; I267-W270 HydrophobicContact CB-CE3 4.36Å; I267-W270 HydrophobicContact CG1-CE3 4.06Å; I267-W270 HydrophobicContact CG1-CH2 4.13Å; I267-W270 HydrophobicContact CG1-CZ3 3.73Å; I267-W270 HydrophobicContact CG2-CE3 4.48Å; I267-W270 WeakPolarHBondContact O-CB 3.44Å; I267-W270 PolarHBondContact O-N 2.94Å
268	L	96.1	Very high	94.5	Very high	89 Å²	89	52.1 Å²	52.1	47%	0.466	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-36.8	178.5	-162.1	152.3	0	0	0	111.2	L264 I265 V266 W270 V271 L286 T290	L264-L268 WeakPolarHBondContact O-CB 3.48Å; L264-L268 PolarHBondContact O-N 2.88Å; I265-L268 PolarHBondContact O-N 3.33Å; V266-L268 VanDerWaalsContact C-N 3.32Å; V266-L268 PolarHBondContact O-N 3Å; L268-W270 PolarHBondContact O-N 3.48Å; L268-V271 WeakPolarHBondContact O-CB 3.47Å; L268-V271 PolarHBondContact O-N 2.75Å; L268-V271 VanDerWaalsContact O-N 3.16Å; L268-L286 HydrophobicContact CD2-CD1 4.19Å; L268-L286 HydrophobicContact CD2-CD2 4.17Å; L268-L286 HydrophobicContact CD2-CG 3.82Å; L268-T290 HydrophobicContact CB-CG2 4.33Å; L268-T290 HydrophobicContact CD2-CG2 3.49Å; L268-T290 VanDerWaalsContact CD2-CG2 3.49Å; L268-T290 HydrophobicContact CG-CG2 4.47Å
269	S	96.5	Very high	94.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-34.9	174	81.9	0	0	0	0	112.9	I265 V266 I267 V271 S272	I265-S269 PolarHBondContact O-N 3.19Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 2.75Å; V266-S269 PolarHBondContact O-OG 3.46Å; I267-S269 VanDerWaalsContact C-N 3.27Å; I267-S269 PolarHBondContact O-N 3.46Å; S269-V271 VanDerWaalsContact C-N 3.27Å; S269-V271 PolarHBondContact O-N 3.41Å; S269-S272 WeakPolarHBondContact O-CB 3.16Å; S269-S272 PolarHBondContact O-N 2.66Å
270	W	95.6	Very high	94	Very high	41 Å²	41	54.3 Å²	54.3	16%	0.155	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-20.4	-180	-51.9	-18.7	0	0	0	113.4	V266 I267 L268 S272 F273 P429 F432	V266-W270 HydrophobicContact CG1-CZ2 3.62Å; V266-W270 VanDerWaalsContact O-CD1 3.31Å; V266-W270 PolarHBondContact O-N 3.48Å; V266-W270 PolarHBondContact O-NE1 3.41Å; I267-W270 HydrophobicContact CB-CE3 4.36Å; I267-W270 HydrophobicContact CG1-CE3 4.06Å; I267-W270 HydrophobicContact CG1-CH2 4.13Å; I267-W270 HydrophobicContact CG1-CZ3 3.73Å; I267-W270 HydrophobicContact CG2-CE3 4.48Å; I267-W270 WeakPolarHBondContact O-CB 3.44Å; I267-W270 PolarHBondContact O-N 2.94Å; L268-W270 PolarHBondContact O-N 3.48Å; W270-S272 PolarHBondContact O-N 3.19Å; W270-F273 HydrophobicContact CB-CD2 4.01Å; W270-F273 HydrophobicContact CB-CE2 3.99Å; W270-F273 AromaticContact CD1-CE2 3.87Å; W270-F273 HydrophobicContact CG-CE2 4.17Å; W270-F273 WeakPolarHBondContact O-CD2 3.16Å; W270-F273 PolarHBondContact O-N 2.77Å; W270-F273 VanDerWaalsContact O-N 3.11Å; W270-P429 HydrophobicContact CD2-CG 4.02Å; W270-P429 HydrophobicContact CE3-CB 4.25Å; W270-P429 HydrophobicContact CE3-CG 3.74Å; W270-P429 HydrophobicContact CH2-CB 3.96Å; W270-P429 HydrophobicContact CH2-CG 4.26Å; W270-P429 HydrophobicContact CZ2-CB 4.46Å; W270-P429 HydrophobicContact CZ3-CB 3.83Å; W270-P429 HydrophobicContact CZ3-CG 3.87Å; W270-F432 HydrophobicContact CH2-CB 4.27Å; W270-F432 AromaticContact CH2-CD1 3.92Å; W270-F432 HydrophobicContact CH2-CD1 3.92Å; W270-F432 HydrophobicContact CH2-CG 4.44Å; W270-F432 HydrophobicContact CZ2-CB 3.76Å; W270-F432 AromaticContact CZ2-CD1 3.8Å; W270-F432 HydrophobicContact CZ2-CD1 3.8Å; W270-F432 AromaticContact CZ2-CG 3.95Å; W270-F432 HydrophobicContact CZ2-CG 3.95Å
271	V	94.4	Very high	93.8	Very high	71 Å²	71	55.1 Å²	55.1	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-28.3	173.4	-177	0	0	0	0	110.6	L268 S269 F273 W274 I275 L286	L268-V271 WeakPolarHBondContact O-CB 3.47Å; L268-V271 PolarHBondContact O-N 2.75Å; L268-V271 VanDerWaalsContact O-N 3.16Å; S269-V271 VanDerWaalsContact C-N 3.27Å; S269-V271 PolarHBondContact O-N 3.41Å; V271-F273 VanDerWaalsContact C-N 3.25Å; V271-F273 PolarHBondContact O-N 3.09Å; V271-W274 PolarHBondContact O-N 2.82Å; V271-I275 PolarHBondContact O-N 2.88Å; V271-L286 HydrophobicContact CB-CD1 4.28Å
272	S	93.3	Very high	93.6	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-50.4	-43.2	172	-171.1	0	0	0	0	112.6	S269 W270 W274 I275 R283	S269-S272 WeakPolarHBondContact O-CB 3.16Å; S269-S272 PolarHBondContact O-N 2.66Å; W270-S272 PolarHBondContact O-N 3.19Å; S272-W274 PolarHBondContact O-N 2.8Å; S272-W274 VanDerWaalsContact O-N 3.1Å; S272-I275 PolarHBondContact O-N 2.99Å; S272-R283 PolarHBondContact O-NE 2.95Å; S272-R283 PolarHBondContact O-NH1 3.2Å; S272-R283 PolarHBondContact OG-NE 3.29Å; S272-R283 VanDerWaalsContact OG-NE 3.12Å
273	F	93.8	Very high	93.5	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.5	-15	-176.9	-47.5	-44	0	0	0	113.5	W270 V271 A328 E331 R425 F428	W270-F273 HydrophobicContact CB-CD2 4.01Å; W270-F273 HydrophobicContact CB-CE2 3.99Å; W270-F273 AromaticContact CD1-CE2 3.87Å; W270-F273 HydrophobicContact CG-CE2 4.17Å; W270-F273 WeakPolarHBondContact O-CD2 3.16Å; W270-F273 PolarHBondContact O-N 2.77Å; W270-F273 VanDerWaalsContact O-N 3.11Å; V271-F273 VanDerWaalsContact C-N 3.25Å; V271-F273 PolarHBondContact O-N 3.09Å; F273-A328 HydrophobicContact CE1-CB 4.06Å; F273-A328 HydrophobicContact CZ-CB 3.78Å; F273-E331 VanDerWaalsContact CD1-CD 3.49Å; F273-E331 HydrophobicContact CD1-CG 4.28Å; F273-E331 WeakPolarHBondContact CD1-OE2 3.44Å; F273-E331 HydrophobicContact CE1-CB 4.08Å; F273-E331 VanDerWaalsContact CE1-CD 3.5Å; F273-E331 HydrophobicContact CE1-CG 3.8Å; F273-E331 WeakPolarHBondContact CE1-OE2 3.22Å; F273-R425 HydrophobicContact CB-CG 3.72Å; F273-R425 PolarHBondContact O-NE 2.85Å; F273-R425 PolarHBondContact O-NH2 3.2Å; F273-F428 HydrophobicContact CE1-CE2 4.43Å; F273-F428 HydrophobicContact CE2-CB 3.86Å; F273-F428 HydrophobicContact CE2-CD1 4.15Å; F273-F428 AromaticContact CE2-CD2 3.96Å; F273-F428 HydrophobicContact CE2-CD2 3.96Å; F273-F428 AromaticContact CE2-CG 3.75Å; F273-F428 HydrophobicContact CE2-CG 3.75Å; F273-F428 HydrophobicContact CZ-CB 4.33Å; F273-F428 AromaticContact CZ-CD1 3.8Å; F273-F428 HydrophobicContact CZ-CD1 3.8Å; F273-F428 AromaticContact CZ-CD2 3.73Å; F273-F428 HydrophobicContact CZ-CD2 3.73Å; F273-F428 AromaticContact CZ-CE1 3.92Å; F273-F428 HydrophobicContact CZ-CE1 3.92Å; F273-F428 AromaticContact CZ-CE2 3.85Å; F273-F428 HydrophobicContact CZ-CE2 3.85Å; F273-F428 AromaticContact CZ-CG 3.7Å; F273-F428 HydrophobicContact CZ-CG 3.7Å; F273-F428 AromaticContact CZ-CZ 3.95Å; F273-F428 HydrophobicContact CZ-CZ 3.95Å
274	W	93.6	Very high	93.4	Very high	172 Å²	172	55 Å²	55	65%	0.652	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-95.9	-16.3	176.2	-64.2	89.7	0	0	0	112.9	V271 S272 R425	V271-W274 PolarHBondContact O-N 2.82Å; S272-W274 PolarHBondContact O-N 2.8Å; S272-W274 VanDerWaalsContact O-N 3.1Å; W274-R425 HydrophobicContact CZ2-CG 4.2Å
275	I	92.8	Very high	93.3	Very high	45 Å²	45	52.8 Å²	52.8	23%	0.231	30%	0.297	C	S	.	.	S	Bend	trans	-78.2	133.6	177.1	-61.6	172.4	0	0	0	109.8	V271 S272 M277 A279 A282 R283 L286	V271-I275 PolarHBondContact O-N 2.88Å; S272-I275 PolarHBondContact O-N 2.99Å; I275-M277 PolarHBondContact O-N 2.77Å; I275-A279 HydrophobicContact CG2-CB 3.92Å; I275-A282 HydrophobicContact CG2-CB 4.28Å; I275-R283 HydrophobicContact CB-CG 3.78Å; I275-R283 HydrophobicContact CD1-CG 4.43Å; I275-R283 HydrophobicContact CG2-CG 3.72Å; I275-R283 PolarHBondContact O-NH1 3.33Å; I275-L286 HydrophobicContact CD1-CD1 4.03Å
276	N	89.6	Confident	93.1	Very high	131 Å²	131	53 Å²	53	70%	0.701	30%	0.298	S	S	*	.			trans	-54.3	132.4	178.1	-72.7	-46.4	0	0	0	112.1	D278 A279	N276-D278 PolarHBondContact O-N 3.14Å; N276-D278 VanDerWaalsContact O-N 3.09Å; N276-A279 WeakPolarHBondContact O-CB 3.44Å; N276-A279 PolarHBondContact O-N 2.92Å
277	M	84.6	Confident	93	Very high	27 Å²	27	53.2 Å²	53.2	13%	0.133	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22	-175.7	63	178.7	63	0	0	115.2	I275 V335 A417 K418 D421	I275-M277 PolarHBondContact O-N 2.77Å; M277-V335 HydrophobicContact CB-CG1 3.84Å; M277-V335 HydrophobicContact CE-CG1 4.02Å; M277-V335 HydrophobicContact SD-CG1 4.43Å; M277-A417 HydrophobicContact CE-CB 3.71Å; M277-A417 HydrophobicContact SD-CB 4.09Å; M277-K418 HydrophobicContact CE-CG 4.06Å; M277-D421 WeakPolarHBondContact CE-OD2 3.3Å
278	D	85.1	Confident	93	Very high	112 Å²	112	54.4 Å²	54.4	60%	0.599	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.5	174	-72.6	-69.3	0	0	0	113.3	N276 A280 K343	N276-D278 PolarHBondContact O-N 3.14Å; N276-D278 VanDerWaalsContact O-N 3.09Å; D278-A280 PolarHBondContact O-N 2.86Å; D278-K343 IonicContact OD1-NZ 3.2Å; D278-K343 PolarHBondContact OD1-NZ 3.09Å
279	A	91.3	Very high	93	Very high	39 Å²	39	54 Å²	54	32%	0.322	31%	0.308	S	S	.	.			trans	-80.3	51.2	176	0	0	0	0	0	111.9	I275 N276 P281 A282 R283	I275-A279 HydrophobicContact CG2-CB 3.92Å; N276-A279 WeakPolarHBondContact O-CB 3.44Å; N276-A279 PolarHBondContact O-N 2.92Å; A279-P281 VanDerWaalsContact C-CD 3.44Å; A279-A282 PolarHBondContact O-N 3.47Å; A279-R283 PolarHBondContact O-N 3.26Å
280	A	88.4	Confident	93	Very high	26 Å²	26	54.2 Å²	54.2	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-50.1	-42.8	-172.6	0	0	0	0	0	115.1	D278 A282 V284 Y332	D278-A280 PolarHBondContact O-N 2.86Å; A280-A282 VanDerWaalsContact C-N 3.29Å; A280-A282 PolarHBondContact O-N 2.9Å; A280-V284 WeakPolarHBondContact O-CB 3.32Å; A280-V284 VanDerWaalsContact O-CG2 3.28Å; A280-V284 WeakPolarHBondContact O-CG2 3.27Å; A280-V284 PolarHBondContact O-N 3.43Å; A280-V284 VanDerWaalsContact O-N 3.12Å; A280-Y332 VanDerWaalsContact CA-OH 3.31Å; A280-Y332 WeakPolarHBondContact CA-OH 3.5Å; A280-Y332 WeakPolarHBondContact CB-OH 3.4Å
281	P	92.8	Very high	93.1	Very high	106 Å²	106	53.7 Å²	53.7	69%	0.688	31%	0.31	S	S	*	.	H	α-helix	trans	-60.7	-36.7	178.6	-24.2	35.5	0	0	0	113.2	A279 A285	A279-P281 VanDerWaalsContact C-CD 3.44Å; P281-A285 WeakPolarHBondContact O-CB 3.42Å; P281-A285 PolarHBondContact O-N 3.4Å
282	A	94.3	Very high	93.2	Very high	45 Å²	45	55.5 Å²	55.5	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-70.1	-46.9	-177.5	0	0	0	0	0	112.1	I275 A279 A280 A285 L286	I275-A282 HydrophobicContact CG2-CB 4.28Å; A279-A282 PolarHBondContact O-N 3.47Å; A280-A282 VanDerWaalsContact C-N 3.29Å; A280-A282 PolarHBondContact O-N 2.9Å; A282-A285 PolarHBondContact O-N 2.7Å; A282-L286 VanDerWaalsContact O-CB 3.26Å; A282-L286 WeakPolarHBondContact O-CB 3.36Å; A282-L286 PolarHBondContact O-N 2.67Å
283	R	94.4	Very high	93.4	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-67.1	-37	178.1	-69.1	-177.2	76.3	161.4	-9.1	112.2	S272 I275 A279 G287 E331 Y332 D421	S272-R283 PolarHBondContact O-NE 2.95Å; S272-R283 PolarHBondContact O-NH1 3.2Å; S272-R283 PolarHBondContact OG-NE 3.29Å; S272-R283 VanDerWaalsContact OG-NE 3.12Å; I275-R283 HydrophobicContact CB-CG 3.78Å; I275-R283 HydrophobicContact CD1-CG 4.43Å; I275-R283 HydrophobicContact CG2-CG 3.72Å; I275-R283 PolarHBondContact O-NH1 3.33Å; A279-R283 PolarHBondContact O-N 3.26Å; R283-G287 PolarHBondContact O-N 2.66Å; R283-E331 IonicContact NH2-OE1 2.78Å; R283-E331 IonicContact NH2-OE2 2.79Å; R283-E331 PolarHBondContact NH2-OE2 2.91Å; R283-Y332 HydrophobicContact CB-CD1 4.25Å; R283-Y332 HydrophobicContact CB-CD2 3.56Å; R283-Y332 HydrophobicContact CB-CE1 4.45Å; R283-Y332 HydrophobicContact CB-CE2 3.77Å; R283-Y332 HydrophobicContact CB-CG 3.81Å; R283-Y332 HydrophobicContact CG-CD2 4.13Å; R283-Y332 HydrophobicContact CG-CE2 4.42Å; R283-D421 IonicContact CZ-OD1 3.4Å; R283-D421 VanDerWaalsContact CZ-OD1 3.22Å; R283-D421 IonicContact NH1-OD1 2.82Å; R283-D421 PolarHBondContact NH1-OD1 3.06Å; R283-D421 IonicContact NH1-OD2 3.62Å; R283-D421 IonicContact NH2-OD1 3.56Å; R283-D421 PolarHBondContact NH2-OD1 3.1Å
284	V	94.4	Very high	93.6	Very high	53 Å²	53	58.4 Å²	58.4	32%	0.321	34%	0.335	S	S	.	.	H	α-helix	trans	-65.1	-50.7	173.5	173.8	0	0	0	0	111.5	A280 L286 G287 I288 Y332	A280-V284 WeakPolarHBondContact O-CB 3.32Å; A280-V284 VanDerWaalsContact O-CG2 3.28Å; A280-V284 WeakPolarHBondContact O-CG2 3.27Å; A280-V284 PolarHBondContact O-N 3.43Å; A280-V284 VanDerWaalsContact O-N 3.12Å; V284-L286 PolarHBondContact O-N 3.16Å; V284-G287 PolarHBondContact O-N 2.73Å; V284-I288 HydrophobicContact CG1-CD1 3.61Å; V284-I288 HydrophobicContact CG1-CG1 4.32Å; V284-I288 WeakPolarHBondContact O-CG1 3.34Å; V284-I288 PolarHBondContact O-N 2.97Å; V284-Y332 HydrophobicContact CG2-CD1 4.21Å; V284-Y332 HydrophobicContact CG2-CE1 3.39Å
285	A	95.4	Very high	93.7	Very high	53 Å²	53	53.4 Å²	53.4	44%	0.438	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-41.9	-177.5	0	0	0	0	0	112	P281 A282 T289	P281-A285 WeakPolarHBondContact O-CB 3.42Å; P281-A285 PolarHBondContact O-N 3.4Å; A282-A285 PolarHBondContact O-N 2.7Å; A285-T289 WeakPolarHBondContact O-CB 3.47Å; A285-T289 PolarHBondContact O-N 2.9Å; A285-T289 PolarHBondContact O-OG1 3.41Å
286	L	95.1	Very high	93.8	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.147	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-46.8	176.1	-176.5	161.8	0	0	0	111.5	L268 V271 I275 A282 V284 T289 T290	L268-L286 HydrophobicContact CD2-CD1 4.19Å; L268-L286 HydrophobicContact CD2-CD2 4.17Å; L268-L286 HydrophobicContact CD2-CG 3.82Å; V271-L286 HydrophobicContact CB-CD1 4.28Å; I275-L286 HydrophobicContact CD1-CD1 4.03Å; A282-L286 VanDerWaalsContact O-CB 3.26Å; A282-L286 WeakPolarHBondContact O-CB 3.36Å; A282-L286 PolarHBondContact O-N 2.67Å; V284-L286 PolarHBondContact O-N 3.16Å; L286-T289 PolarHBondContact O-N 2.8Å; L286-T290 HydrophobicContact CD2-CG2 4.35Å; L286-T290 WeakPolarHBondContact O-CB 3.24Å; L286-T290 WeakPolarHBondContact O-CG2 3.47Å; L286-T290 PolarHBondContact O-N 2.87Å; L286-T290 PolarHBondContact O-OG1 3.18Å
287	G	94.7	Very high	94.1	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-44.3	178.5	0	0	0	0	0	113.4	R283 V284 T290 V291	R283-G287 PolarHBondContact O-N 2.66Å; V284-G287 PolarHBondContact O-N 2.73Å; G287-T290 PolarHBondContact O-OG1 3.31Å; G287-T290 VanDerWaalsContact O-OG1 3.11Å; G287-V291 WeakPolarHBondContact O-CG2 3.46Å; G287-V291 PolarHBondContact O-N 3.02Å; G287-V291 VanDerWaalsContact O-N 3.11Å
288	I	96.2	Very high	94.5	Very high	94 Å²	94	50.6 Å²	50.6	48%	0.482	31%	0.313	S	S	.	.	H	α-helix	trans	-66.5	-45.1	176.6	-67.1	175.1	0	0	0	110.9	V284 T290 V291 L292	V284-I288 HydrophobicContact CG1-CD1 3.61Å; V284-I288 HydrophobicContact CG1-CG1 4.32Å; V284-I288 WeakPolarHBondContact O-CG1 3.34Å; V284-I288 PolarHBondContact O-N 2.97Å; I288-T290 PolarHBondContact O-N 3.43Å; I288-V291 PolarHBondContact O-N 2.04Å; I288-L292 WeakPolarHBondContact O-CB 3.18Å; I288-L292 PolarHBondContact O-N 3.44Å
289	T	96.9	Very high	94.9	Very high	81 Å²	81	48.7 Å²	48.7	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-47	179.1	-57.8	0	0	0	0	111.1	A285 L286 L292 T293	A285-T289 WeakPolarHBondContact O-CB 3.47Å; A285-T289 PolarHBondContact O-N 2.9Å; A285-T289 PolarHBondContact O-OG1 3.41Å; L286-T289 PolarHBondContact O-N 2.8Å; T289-L292 PolarHBondContact O-N 3.33Å; T289-T293 PolarHBondContact O-N 2.78Å; T289-T293 PolarHBondContact O-OG1 2.9Å
290	T	97.1	Very high	94.9	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-42.4	179.4	47.1	0	0	0	0	112.7	I265 L268 L286 G287 I288 L292 M294 V325	I265-T290 HydrophobicContact CG2-CG2 4.18Å; L268-T290 HydrophobicContact CB-CG2 4.33Å; L268-T290 HydrophobicContact CD2-CG2 3.49Å; L268-T290 VanDerWaalsContact CD2-CG2 3.49Å; L268-T290 HydrophobicContact CG-CG2 4.47Å; L286-T290 HydrophobicContact CD2-CG2 4.35Å; L286-T290 WeakPolarHBondContact O-CB 3.24Å; L286-T290 WeakPolarHBondContact O-CG2 3.47Å; L286-T290 PolarHBondContact O-N 2.87Å; L286-T290 PolarHBondContact O-OG1 3.18Å; G287-T290 PolarHBondContact O-OG1 3.31Å; G287-T290 VanDerWaalsContact O-OG1 3.11Å; I288-T290 PolarHBondContact O-N 3.43Å; T290-L292 VanDerWaalsContact C-N 3.34Å; T290-L292 PolarHBondContact O-N 3.42Å; T290-M294 WeakPolarHBondContact O-CB 3.23Å; T290-M294 PolarHBondContact O-N 3.1Å; T290-V325 WeakPolarHBondContact OG1-CG1 3.46Å
291	V	97.4	Very high	95	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-44.3	173.4	171.1	0	0	0	0	111.1	G287 I288 T295 L322 V325 F326 L329	G287-V291 WeakPolarHBondContact O-CG2 3.46Å; G287-V291 PolarHBondContact O-N 3.02Å; G287-V291 VanDerWaalsContact O-N 3.11Å; I288-V291 PolarHBondContact O-N 2.04Å; V291-T295 WeakPolarHBondContact O-CB 3.48Å; V291-T295 PolarHBondContact O-N 3Å; V291-T295 PolarHBondContact O-OG1 3.49Å; V291-L322 HydrophobicContact CG1-CD1 4.34Å; V291-V325 HydrophobicContact CB-CG1 4.47Å; V291-V325 HydrophobicContact CG2-CG1 3.8Å; V291-F326 HydrophobicContact CG2-CB 4.47Å; V291-F326 HydrophobicContact CG2-CD2 4.43Å; V291-L329 HydrophobicContact CG2-CD2 4.33Å
292	L	97	Very high	94.9	Very high	108 Å²	108	48.5 Å²	48.5	57%	0.565	29%	0.294	S	S	*	.	H	α-helix	trans	-66.1	-48.8	-179.7	-179.7	60.1	0	0	0	111.9	I288 T289 T290 M294 T295 T296	I288-L292 WeakPolarHBondContact O-CB 3.18Å; I288-L292 PolarHBondContact O-N 3.44Å; T289-L292 PolarHBondContact O-N 3.33Å; T290-L292 VanDerWaalsContact C-N 3.34Å; T290-L292 PolarHBondContact O-N 3.42Å; L292-M294 VanDerWaalsContact C-N 3.32Å; L292-M294 PolarHBondContact O-N 3.5Å; L292-T295 PolarHBondContact O-N 2.69Å; L292-T296 PolarHBondContact O-N 3.25Å; L292-T296 PolarHBondContact O-OG1 2.9Å; L292-T296 VanDerWaalsContact O-OG1 3.11Å
293	T	97.3	Very high	94.6	Very high	65 Å²	65	51.8 Å²	51.8	40%	0.399	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-42.6	177.4	-52.3	0	0	0	0	111.2	I265 T289 T295 T296 Q297	I265-T293 HydrophobicContact CD1-CG2 3.57Å; I265-T293 HydrophobicContact CG1-CG2 4.24Å; T289-T293 PolarHBondContact O-N 2.78Å; T289-T293 PolarHBondContact O-OG1 2.9Å; T293-T295 VanDerWaalsContact C-N 3.34Å; T293-T295 PolarHBondContact O-N 3.1Å; T293-T296 PolarHBondContact O-N 3.44Å; T293-Q297 WeakPolarHBondContact O-CB 3.47Å; T293-Q297 PolarHBondContact O-N 2.97Å
294	M	96.4	Very high	94.1	Very high	0 Å²	0	55 Å²	55	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-38.7	177.3	-169.5	63.2	-152.9	0	0	112.2	I265 T290 L292 Q297 S298 M318 C321 L322	I265-M294 HydrophobicContact CG2-CB 4.22Å; T290-M294 WeakPolarHBondContact O-CB 3.23Å; T290-M294 PolarHBondContact O-N 3.1Å; L292-M294 VanDerWaalsContact C-N 3.32Å; L292-M294 PolarHBondContact O-N 3.5Å; M294-Q297 PolarHBondContact O-N 2.73Å; M294-S298 VanDerWaalsContact O-CB 3.28Å; M294-S298 WeakPolarHBondContact O-CB 3.37Å; M294-S298 PolarHBondContact O-N 2.04Å; M294-M318 HydrophobicContact CE-CB 4.06Å; M294-M318 HydrophobicContact CE-CE 3.48Å; M294-M318 VanDerWaalsContact CE-CE 3.48Å; M294-M318 HydrophobicContact CE-CG 4.42Å; M294-M318 VanDerWaalsContact CE-O 3.27Å; M294-M318 WeakPolarHBondContact CE-O 3.42Å; M294-M318 HydrophobicContact CE-SD 3.54Å; M294-M318 VanDerWaalsContact CE-SD 3.54Å; M294-M318 HydrophobicContact SD-CE 4.38Å; M294-C321 HydrophobicContact CE-CB 3.35Å; M294-C321 HydrophobicContact SD-CB 4.03Å; M294-L322 HydrophobicContact CB-CD1 4.03Å; M294-L322 HydrophobicContact CG-CB 3.99Å; M294-L322 HydrophobicContact CG-CD1 3.93Å
295	T	95.9	Very high	94	Very high	67 Å²	67	53.2 Å²	53.2	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-44.6	175.1	-57	0	0	0	0	111.4	V291 L292 T293 S298 S299	V291-T295 WeakPolarHBondContact O-CB 3.48Å; V291-T295 PolarHBondContact O-N 3Å; V291-T295 PolarHBondContact O-OG1 3.49Å; L292-T295 PolarHBondContact O-N 2.69Å; T293-T295 VanDerWaalsContact C-N 3.34Å; T293-T295 PolarHBondContact O-N 3.1Å; T295-S298 PolarHBondContact O-N 3.28Å; T295-S299 PolarHBondContact O-N 3.11Å
296	T	96.2	Very high	93.9	Very high	89 Å²	89	51.8 Å²	51.8	55%	0.546	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-45.5	175.2	-61.8	0	0	0	0	111.6	L292 T293 S298 S299 G300	L292-T296 PolarHBondContact O-N 3.25Å; L292-T296 PolarHBondContact O-OG1 2.9Å; L292-T296 VanDerWaalsContact O-OG1 3.11Å; T293-T296 PolarHBondContact O-N 3.44Å; T296-S298 PolarHBondContact O-N 2.91Å; T296-S299 WeakPolarHBondContact O-CB 3.47Å; T296-S299 PolarHBondContact O-N 2.97Å; T296-S299 VanDerWaalsContact O-N 3.15Å; T296-G300 PolarHBondContact O-N 3.49Å
297	Q	94.9	Very high	93.7	Very high	34 Å²	34	60.9 Å²	60.9	16%	0.159	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-39.4	177.6	-162.5	-171	7.8	0	0	111.8	M258 S262 T293 M294 S299 G300 S301 M318	M258-Q297 PolarHBondContact O-NE2 2.87Å; M258-Q297 VanDerWaalsContact O-NE2 3.09Å; S262-Q297 VanDerWaalsContact CB-OE1 3.31Å; T293-Q297 WeakPolarHBondContact O-CB 3.47Å; T293-Q297 PolarHBondContact O-N 2.97Å; M294-Q297 PolarHBondContact O-N 2.73Å; Q297-S299 VanDerWaalsContact C-N 3.26Å; Q297-S299 PolarHBondContact O-N 2.71Å; Q297-G300 PolarHBondContact O-N 2.99Å; Q297-S301 PolarHBondContact O-N 3.29Å; Q297-S301 PolarHBondContact O-OG 2.7Å; Q297-M318 VanDerWaalsContact C-CE 3.47Å; Q297-M318 HydrophobicContact CB-CE 3.72Å; Q297-M318 HydrophobicContact CG-CE 3.64Å
298	S	93.6	Very high	93.7	Very high	21 Å²	21	62.4 Å²	62.4	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-26.9	174.1	177.1	0	0	0	0	112.9	M294 T295 T296 S301 R302 M318	M294-S298 VanDerWaalsContact O-CB 3.28Å; M294-S298 WeakPolarHBondContact O-CB 3.37Å; M294-S298 PolarHBondContact O-N 2.04Å; T295-S298 PolarHBondContact O-N 3.28Å; T296-S298 PolarHBondContact O-N 2.91Å; S298-S301 PolarHBondContact O-OG 2.89Å; S298-R302 VanDerWaalsContact O-CZ 3.28Å; S298-R302 PolarHBondContact O-NE 2.96Å; S298-R302 PolarHBondContact O-NH2 2.62Å; S298-M318 VanDerWaalsContact N-CE 3.33Å
299	S	92.6	Very high	93.6	Very high	71 Å²	71	64 Å²	64	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-74	-49.8	169.2	-161.6	0	0	0	0	110.9	T295 T296 Q297 S301 R302 T303	T295-S299 PolarHBondContact O-N 3.11Å; T296-S299 WeakPolarHBondContact O-CB 3.47Å; T296-S299 PolarHBondContact O-N 2.97Å; T296-S299 VanDerWaalsContact O-N 3.15Å; Q297-S299 VanDerWaalsContact C-N 3.26Å; Q297-S299 PolarHBondContact O-N 2.71Å; S299-S301 VanDerWaalsContact C-N 3.34Å; S299-S301 PolarHBondContact O-N 2.62Å; S299-R302 PolarHBondContact O-N 2.77Å; S299-T303 PolarHBondContact O-N 2.98Å; S299-T303 PolarHBondContact O-OG1 2.78Å
300	G	92.1	Very high	93.5	Very high	41 Å²	41	63.7 Å²	63.7	42%	0.423	36%	0.363	S	S	.	.	H	α-helix	trans	-59	-38.4	-178.2	0	0	0	0	0	114.2	T296 Q297 R302 T303	T296-G300 PolarHBondContact O-N 3.49Å; Q297-G300 PolarHBondContact O-N 2.99Å; G300-R302 PolarHBondContact O-N 3.4Å; G300-T303 PolarHBondContact O-N 3.37Å; G300-T303 VanDerWaalsContact O-N 3.16Å; G300-T303 PolarHBondContact O-OG1 2.81Å
301	S	90.2	Very high	93.4	Very high	5 Å²	5	68 Å²	68	4%	0.035	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.2	177.4	66.8	0	0	0	0	114.6	Q297 S298 S299	Q297-S301 PolarHBondContact O-N 3.29Å; Q297-S301 PolarHBondContact O-OG 2.7Å; S298-S301 PolarHBondContact O-OG 2.89Å; S299-S301 VanDerWaalsContact C-N 3.34Å; S299-S301 PolarHBondContact O-N 2.62Å
302	R	90	Very high	93.3	Very high	122 Å²	122	67.1 Å²	67.1	46%	0.46	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-7.1	176.4	-70.2	176	-73	158.1	-2.9	113.4	S298 S299 G300 S304 L305	S298-R302 VanDerWaalsContact O-CZ 3.28Å; S298-R302 PolarHBondContact O-NE 2.96Å; S298-R302 PolarHBondContact O-NH2 2.62Å; S299-R302 PolarHBondContact O-N 2.77Å; G300-R302 PolarHBondContact O-N 3.4Å; R302-S304 VanDerWaalsContact C-N 3.35Å; R302-S304 PolarHBondContact O-N 3.15Å; R302-L305 PolarHBondContact O-N 2.97Å
303	T	88.9	Confident	93.2	Very high	113 Å²	113	62 Å²	62	69%	0.693	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.5	-175.6	-52.1	0	0	0	0	113.2	S299 G300	S299-T303 PolarHBondContact O-N 2.98Å; S299-T303 PolarHBondContact O-OG1 2.78Å; G300-T303 PolarHBondContact O-N 3.37Å; G300-T303 VanDerWaalsContact O-N 3.16Å; G300-T303 PolarHBondContact O-OG1 2.81Å
304	S	84.6	Confident	93.1	Very high	70 Å²	70	58.9 Å²	58.9	49%	0.49	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	14	178.5	55.3	0	0	0	0	114.2	T85 R302	T85-S304 WeakPolarHBondContact CG2-O 3.47Å; R302-S304 VanDerWaalsContact C-N 3.35Å; R302-S304 PolarHBondContact O-N 3.15Å
305	L	91.6	Very high	93	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.073	35%	0.346	C	S	.	.	S	Bend	trans	-120.6	152.3	-175.1	-65.7	179.6	0	0	0	112.3	E84 F176 R302 K312	E84-L305 HydrophobicContact CB-CD2 4.26Å; E84-L305 HydrophobicContact CG-CD2 4.3Å; F176-L305 HydrophobicContact CD1-CD1 3.97Å; F176-L305 HydrophobicContact CD2-CD2 4.33Å; F176-L305 HydrophobicContact CE1-CD1 3.64Å; F176-L305 HydrophobicContact CE1-CD2 4.28Å; F176-L305 HydrophobicContact CE1-CG 4.49Å; F176-L305 HydrophobicContact CE2-CD2 3.8Å; F176-L305 HydrophobicContact CZ-CD1 3.97Å; F176-L305 HydrophobicContact CZ-CD2 3.77Å; F176-L305 HydrophobicContact CZ-CG 4.35Å; R302-L305 PolarHBondContact O-N 2.97Å; L305-K312 HydrophobicContact CD1-CD 4.45Å
306	P	92.9	Very high	93.1	Very high	23 Å²	23	60.4 Å²	60.4	15%	0.149	34%	0.342	C	S	.	.			trans	-65.7	151.7	172	30	-35.7	0	0	0	110.5	E84 M87 L173 V308	E84-P306 VanDerWaalsContact O-CD 3.31Å; E84-P306 WeakPolarHBondContact O-CD 3.41Å; E84-P306 WeakPolarHBondContact O-CG 3.3Å; M87-P306 HydrophobicContact CE-CB 4.1Å; M87-P306 HydrophobicContact CE-CG 3.85Å; L173-P306 HydrophobicContact CD1-CG 3.49Å; L173-P306 VanDerWaalsContact CD1-CG 3.49Å; P306-V308 HydrophobicContact CG-CG1 4.18Å; P306-V308 PolarHBondContact O-N 3.01Å
307	K	92	Very high	93.1	Very high	220 Å²	220	56.2 Å²	56.2	96%	0.957	32%	0.316	S	S	*	.			trans	-77.7	66.1	-178.6	-65.1	179.7	-178.2	174.5	0	111.7
308	V	93.8	Very high	93.2	Very high	37 Å²	37	54.6 Å²	54.6	22%	0.224	31%	0.309	C	S	.	.			trans	-70.8	147.7	174.5	-62	0	0	0	0	111.6	P306 Y310 K312	P306-V308 HydrophobicContact CG-CG1 4.18Å; P306-V308 PolarHBondContact O-N 3.01Å; V308-Y310 HydrophobicContact CB-CD1 4.24Å; V308-Y310 HydrophobicContact CB-CD2 4.45Å; V308-Y310 HydrophobicContact CB-CE1 3.91Å; V308-Y310 HydrophobicContact CB-CE2 4.11Å; V308-Y310 HydrophobicContact CG1-CE1 4.04Å; V308-Y310 HydrophobicContact CG1-CE2 4.41Å; V308-Y310 HydrophobicContact CG2-CD2 4.2Å; V308-Y310 HydrophobicContact CG2-CE2 3.91Å; V308-K312 HydrophobicContact CG2-CD 3.91Å; V308-K312 HydrophobicContact CG2-CG 4.26Å
309	S	94.4	Very high	93.4	Very high	128 Å²	128	56.3 Å²	56.3	90%	0.895	32%	0.324	S	S	*	.	S	Bend	trans	-88.4	-16.7	-179	52.5	0	0	0	0	114.2
310	Y	94.8	Very high	93.6	Very high	74 Å²	74	54.4 Å²	54.4	29%	0.29	31%	0.309	S	S	.	.	S	Bend	trans	-89.5	155.3	179.1	54.6	-104.2	0	0	0	112.5	L173 K174 V308 K312	L173-Y310 HydrophobicContact CB-CE2 4.18Å; L173-Y310 PolarHBondContact N-OH 3.46Å; K174-Y310 HydrophobicContact CG-CD2 3.96Å; K174-Y310 HydrophobicContact CG-CE2 4.04Å; V308-Y310 HydrophobicContact CB-CD1 4.24Å; V308-Y310 HydrophobicContact CB-CD2 4.45Å; V308-Y310 HydrophobicContact CB-CE1 3.91Å; V308-Y310 HydrophobicContact CB-CE2 4.11Å; V308-Y310 HydrophobicContact CG1-CE1 4.04Å; V308-Y310 HydrophobicContact CG1-CE2 4.41Å; V308-Y310 HydrophobicContact CG2-CD2 4.2Å; V308-Y310 HydrophobicContact CG2-CE2 3.91Å; Y310-K312 HydrophobicContact CD2-CG 4.32Å; Y310-K312 HydrophobicContact CE2-CG 4.22Å
311	V	94.8	Very high	93.9	Very high	95 Å²	95	52.5 Å²	52.5	58%	0.576	29%	0.289	S	S	*	.			trans	-74.1	135.5	176.6	-178	0	0	0	0	110.1	D315 I316	V311-D315 HydrophobicContact CG1-CB 4.18Å; V311-I316 HydrophobicContact CG1-CD1 4.05Å; V311-I316 HydrophobicContact CG1-CG1 3.55Å
312	K	94.9	Very high	94.2	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.052	30%	0.3	C	S	.	.			trans	-107.2	158.7	176.8	-53.5	176.3	-60.1	-52.2	0	111.2	L173 K174 L305 V308 Y310 I314 D315 I316	L173-K312 HydrophobicContact CB-CD 3.99Å; L173-K312 HydrophobicContact CB-CG 4.47Å; L173-K312 VanDerWaalsContact O-CG 3.3Å; L173-K312 WeakPolarHBondContact O-CG 3.49Å; K174-K312 CarbonylContact O-C 3.59Å; K174-K312 VanDerWaalsContact O-CA 3.28Å; K174-K312 WeakPolarHBondContact O-CA 3.44Å; L305-K312 HydrophobicContact CD1-CD 4.45Å; V308-K312 HydrophobicContact CG2-CD 3.91Å; V308-K312 HydrophobicContact CG2-CG 4.26Å; Y310-K312 HydrophobicContact CD2-CG 4.32Å; Y310-K312 HydrophobicContact CE2-CG 4.22Å; K312-I314 HydrophobicContact CB-CG2 4.2Å; K312-I314 PolarHBondContact O-N 3.03Å; K312-D315 WeakPolarHBondContact CB-OD2 3.27Å; K312-D315 PolarHBondContact N-OD2 2.88Å; K312-D315 IonicContact NZ-OD1 2.69Å; K312-D315 PolarHBondContact NZ-OD1 3.37Å; K312-D315 IonicContact NZ-OD2 3.29Å; K312-D315 PolarHBondContact NZ-OD2 3.39Å; K312-D315 WeakPolarHBondContact O-CB 3.47Å; K312-D315 PolarHBondContact O-N 2.8Å; K312-I316 PolarHBondContact O-N 2.85Å
313	A	95.1	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.6	-36.8	178.2	0	0	0	0	0	113.3	K174 F176 M178 W317 Y439 Y443	K174-A313 PolarHBondContact O-N 2.92Å; F176-A313 WeakPolarHBondContact O-CB 3.47Å; M178-A313 HydrophobicContact CE-CB 4.42Å; A313-W317 PolarHBondContact O-N 2.82Å; A313-Y439 VanDerWaalsContact C-OH 3.3Å; A313-Y439 WeakPolarHBondContact O-CE2 3.3Å; A313-Y439 PolarHBondContact O-OH 3.47Å; A313-Y443 HydrophobicContact CB-CD1 3.87Å; A313-Y443 HydrophobicContact CB-CD2 4.2Å; A313-Y443 HydrophobicContact CB-CE1 3.42Å; A313-Y443 VanDerWaalsContact CB-CE1 3.42Å; A313-Y443 HydrophobicContact CB-CE2 3.76Å; A313-Y443 HydrophobicContact CB-CG 4.25Å
314	I	95.3	Very high	95	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-35.1	172.9	-165.3	55.6	0	0	0	113.2	F176 M258 Y259 K312 I316 W317 M318	F176-I314 HydrophobicContact CD1-CB 4.17Å; F176-I314 HydrophobicContact CD1-CG2 3.68Å; F176-I314 HydrophobicContact CE1-CB 4.44Å; F176-I314 HydrophobicContact CE1-CG2 4.05Å; F176-I314 PolarHBondContact O-N 3Å; M258-I314 HydrophobicContact CB-CD1 4.33Å; M258-I314 HydrophobicContact SD-CD1 4.11Å; M258-I314 HydrophobicContact SD-CG1 4.18Å; Y259-I314 HydrophobicContact CE2-CD1 4.15Å; K312-I314 HydrophobicContact CB-CG2 4.2Å; K312-I314 PolarHBondContact O-N 3.03Å; I314-I316 VanDerWaalsContact C-N 3.34Å; I314-W317 PolarHBondContact O-N 2.93Å; I314-M318 HydrophobicContact CD1-CG 4.29Å; I314-M318 HydrophobicContact CG1-CG 4.31Å; I314-M318 VanDerWaalsContact O-CG 3.28Å; I314-M318 WeakPolarHBondContact O-CG 3.44Å; I314-M318 PolarHBondContact O-N 2.87Å
315	D	95.4	Very high	95.6	Very high	34 Å²	34	46.5 Å²	46.5	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-39.2	179.9	-53.6	-43.3	0	0	0	110.2	V311 K312 M318 A319	V311-D315 HydrophobicContact CG1-CB 4.18Å; K312-D315 WeakPolarHBondContact CB-OD2 3.27Å; K312-D315 PolarHBondContact N-OD2 2.88Å; K312-D315 IonicContact NZ-OD1 2.69Å; K312-D315 PolarHBondContact NZ-OD1 3.37Å; K312-D315 IonicContact NZ-OD2 3.29Å; K312-D315 PolarHBondContact NZ-OD2 3.39Å; K312-D315 WeakPolarHBondContact O-CB 3.47Å; K312-D315 PolarHBondContact O-N 2.8Å; D315-M318 PolarHBondContact O-N 2.94Å; D315-A319 WeakPolarHBondContact O-CB 3.3Å; D315-A319 PolarHBondContact O-N 3.26Å
316	I	96.4	Very high	95.9	Very high	65 Å²	65	50.4 Å²	50.4	33%	0.333	27%	0.271	S	S	.	.	H	α-helix	trans	-63.1	-46.3	175.6	-61	-174.4	0	0	0	110.6	V311 K312 I314 A319 V320	V311-I316 HydrophobicContact CG1-CD1 4.05Å; V311-I316 HydrophobicContact CG1-CG1 3.55Å; K312-I316 PolarHBondContact O-N 2.85Å; I314-I316 VanDerWaalsContact C-N 3.34Å; I316-A319 PolarHBondContact O-N 2.91Å; I316-V320 HydrophobicContact CG2-CG2 4.41Å; I316-V320 WeakPolarHBondContact O-CG2 3.41Å; I316-V320 PolarHBondContact O-N 3.17Å
317	W	97.3	Very high	96.1	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-50.9	175.6	175	-90.8	0	0	0	111.6	Y259 S262 L263 A313 I314 A319 V320 C321 F432 F435 N436 Y439	Y259-W317 AromaticContact CD1-CD2 3.53Å; Y259-W317 HydrophobicContact CD1-CD2 3.53Å; Y259-W317 AromaticContact CD1-CE2 3.44Å; Y259-W317 VanDerWaalsContact CD1-CE2 3.44Å; Y259-W317 AromaticContact CD1-CE3 3.9Å; Y259-W317 HydrophobicContact CD1-CE3 3.9Å; Y259-W317 AromaticContact CD1-CG 3.96Å; Y259-W317 HydrophobicContact CD1-CG 3.96Å; Y259-W317 HydrophobicContact CD1-CH2 4.13Å; Y259-W317 AromaticContact CD1-CZ2 3.78Å; Y259-W317 HydrophobicContact CD1-CZ2 3.78Å; Y259-W317 HydrophobicContact CD1-CZ3 4.18Å; Y259-W317 AromaticContact CD1-NE1 3.78Å; Y259-W317 HydrophobicContact CE1-CB 4.18Å; Y259-W317 AromaticContact CE1-CD2 3.57Å; Y259-W317 HydrophobicContact CE1-CD2 3.57Å; Y259-W317 AromaticContact CE1-CE2 4Å; Y259-W317 AromaticContact CE1-CE3 3.87Å; Y259-W317 HydrophobicContact CE1-CE3 3.87Å; Y259-W317 AromaticContact CE1-CG 3.68Å; Y259-W317 HydrophobicContact CE1-CG 3.68Å; S262-W317 PolarHBondContact OG-NE1 3.08Å; L263-W317 HydrophobicContact CB-CZ2 4.4Å; A313-W317 PolarHBondContact O-N 2.82Å; I314-W317 PolarHBondContact O-N 2.93Å; W317-A319 PolarHBondContact O-N 2.94Å; W317-V320 PolarHBondContact O-N 2.93Å; W317-C321 WeakPolarHBondContact O-CB 3.29Å; W317-C321 PolarHBondContact O-N 3.07Å; W317-C321 PolarHBondContact O-SG 2.91Å; W317-C321 VanDerWaalsContact O-SG 3.35Å; W317-F432 HydrophobicContact CH2-CZ 4.27Å; W317-F432 HydrophobicContact CZ2-CZ 4.49Å; W317-F435 HydrophobicContact CD2-CE1 4.48Å; W317-F435 AromaticContact CE3-CE1 3.71Å; W317-F435 HydrophobicContact CE3-CE1 3.71Å; W317-F435 HydrophobicContact CE3-CZ 4.04Å; W317-F435 AromaticContact CZ3-CE1 3.89Å; W317-F435 HydrophobicContact CZ3-CE1 3.89Å; W317-N436 VanDerWaalsContact CH2-OD1 3.26Å; W317-N436 WeakPolarHBondContact CH2-OD1 3.33Å; W317-N436 WeakPolarHBondContact CZ3-OD1 3.39Å; W317-Y439 HydrophobicContact CB-CE2 3.91Å; W317-Y439 AromaticContact CE3-CD1 3.95Å; W317-Y439 HydrophobicContact CE3-CD1 3.95Å; W317-Y439 HydrophobicContact CE3-CD2 4.45Å; W317-Y439 AromaticContact CE3-CE1 3.99Å; W317-Y439 HydrophobicContact CE3-CE1 3.99Å; W317-Y439 HydrophobicContact CE3-CE2 4.47Å; W317-Y439 HydrophobicContact CE3-CG 4.2Å; W317-Y439 HydrophobicContact CZ3-CD1 4.35Å
318	M	96.6	Very high	96.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-34.4	-178.4	-62.6	-58.3	-81.5	0	0	112.4	M294 Q297 S298 I314 D315 L322	M294-M318 HydrophobicContact CE-CB 4.06Å; M294-M318 HydrophobicContact CE-CE 3.48Å; M294-M318 VanDerWaalsContact CE-CE 3.48Å; M294-M318 HydrophobicContact CE-CG 4.42Å; M294-M318 VanDerWaalsContact CE-O 3.27Å; M294-M318 WeakPolarHBondContact CE-O 3.42Å; M294-M318 HydrophobicContact CE-SD 3.54Å; M294-M318 VanDerWaalsContact CE-SD 3.54Å; M294-M318 HydrophobicContact SD-CE 4.38Å; Q297-M318 VanDerWaalsContact C-CE 3.47Å; Q297-M318 HydrophobicContact CB-CE 3.72Å; Q297-M318 HydrophobicContact CG-CE 3.64Å; S298-M318 VanDerWaalsContact N-CE 3.33Å; I314-M318 HydrophobicContact CD1-CG 4.29Å; I314-M318 HydrophobicContact CG1-CG 4.31Å; I314-M318 VanDerWaalsContact O-CG 3.28Å; I314-M318 WeakPolarHBondContact O-CG 3.44Å; I314-M318 PolarHBondContact O-N 2.87Å; D315-M318 PolarHBondContact O-N 2.94Å; M318-L322 VanDerWaalsContact O-CB 3.24Å; M318-L322 WeakPolarHBondContact O-CB 3.46Å; M318-L322 PolarHBondContact O-N 3.02Å
319	A	97	Very high	96.3	Very high	56 Å²	56	41 Å²	41	46%	0.463	23%	0.232	S	C	.	.	H	α-helix	trans	-68.7	-42.9	175.8	0	0	0	0	0	112.6	D315 I316 W317 L322 L323	D315-A319 WeakPolarHBondContact O-CB 3.3Å; D315-A319 PolarHBondContact O-N 3.26Å; I316-A319 PolarHBondContact O-N 2.91Å; W317-A319 PolarHBondContact O-N 2.94Å; A319-L322 PolarHBondContact O-N 3.28Å; A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 PolarHBondContact O-N 2.73Å
320	V	97.6	Very high	96.3	Very high	32 Å²	32	39.4 Å²	39.4	19%	0.194	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-45.1	177.4	174.1	0	0	0	0	110.8	I316 W317 L322 L323 F324 F435	I316-V320 HydrophobicContact CG2-CG2 4.41Å; I316-V320 WeakPolarHBondContact O-CG2 3.41Å; I316-V320 PolarHBondContact O-N 3.17Å; W317-V320 PolarHBondContact O-N 2.93Å; V320-L322 VanDerWaalsContact C-N 3.3Å; V320-L322 PolarHBondContact O-N 3.02Å; V320-L323 WeakPolarHBondContact O-CB 3.49Å; V320-L323 PolarHBondContact O-N 3.05Å; V320-L323 VanDerWaalsContact O-N 3.1Å; V320-F324 HydrophobicContact CG1-CD2 3.76Å; V320-F324 HydrophobicContact CG1-CE2 3.76Å; V320-F324 WeakPolarHBondContact O-CD2 3.37Å; V320-F324 PolarHBondContact O-N 3.02Å; V320-F435 HydrophobicContact CB-CD2 4.47Å; V320-F435 HydrophobicContact CB-CE1 4.04Å; V320-F435 HydrophobicContact CB-CE2 3.95Å; V320-F435 HydrophobicContact CB-CZ 3.71Å; V320-F435 HydrophobicContact CG1-CD1 3.73Å; V320-F435 HydrophobicContact CG1-CD2 3.84Å; V320-F435 HydrophobicContact CG1-CE1 3.69Å; V320-F435 HydrophobicContact CG1-CE2 3.81Å; V320-F435 HydrophobicContact CG1-CG 3.8Å; V320-F435 HydrophobicContact CG1-CZ 3.74Å; V320-F435 HydrophobicContact CG2-CD2 4.4Å; V320-F435 HydrophobicContact CG2-CE2 3.82Å; V320-F435 HydrophobicContact CG2-CZ 4.04Å
321	C	97.9	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-40.3	174.7	-72.7	0	0	0	0	112	V266 M294 W317 F324 V325	V266-C321 HydrophobicContact CG2-CB 3.75Å; M294-C321 HydrophobicContact CE-CB 3.35Å; M294-C321 HydrophobicContact SD-CB 4.03Å; W317-C321 WeakPolarHBondContact O-CB 3.29Å; W317-C321 PolarHBondContact O-N 3.07Å; W317-C321 PolarHBondContact O-SG 2.91Å; W317-C321 VanDerWaalsContact O-SG 3.35Å; C321-F324 PolarHBondContact O-N 3.29Å; C321-V325 VanDerWaalsContact O-CG2 3.31Å; C321-V325 WeakPolarHBondContact O-CG2 3.44Å; C321-V325 PolarHBondContact O-N 2.87Å; C321-V325 VanDerWaalsContact O-N 3.13Å
322	L	97.2	Very high	96.2	Very high	48 Å²	48	32.4 Å²	32.4	25%	0.251	18%	0.176	S	C	.	.	H	α-helix	trans	-63.4	-41.4	172.7	-177	64.9	0	0	0	112.4	V291 M294 M318 A319 V320 V325 F326	V291-L322 HydrophobicContact CG1-CD1 4.34Å; M294-L322 HydrophobicContact CB-CD1 4.03Å; M294-L322 HydrophobicContact CG-CB 3.99Å; M294-L322 HydrophobicContact CG-CD1 3.93Å; M318-L322 VanDerWaalsContact O-CB 3.24Å; M318-L322 WeakPolarHBondContact O-CB 3.46Å; M318-L322 PolarHBondContact O-N 3.02Å; A319-L322 PolarHBondContact O-N 3.28Å; V320-L322 VanDerWaalsContact C-N 3.3Å; V320-L322 PolarHBondContact O-N 3.02Å; L322-V325 PolarHBondContact O-N 2.8Å; L322-F326 VanDerWaalsContact O-CB 3.3Å; L322-F326 WeakPolarHBondContact O-CB 3.42Å; L322-F326 PolarHBondContact O-N 2.89Å
323	L	97.7	Very high	96.1	Very high	106 Å²	106	34.1 Å²	34.1	56%	0.555	19%	0.192	S	C	*	.	H	α-helix	trans	-62.2	-42.7	176.6	179.9	63.5	0	0	0	112.2	A319 V320 S327	A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 PolarHBondContact O-N 2.73Å; V320-L323 WeakPolarHBondContact O-CB 3.49Å; V320-L323 PolarHBondContact O-N 3.05Å; V320-L323 VanDerWaalsContact O-N 3.1Å; L323-S327 VanDerWaalsContact O-CB 3.26Å; L323-S327 WeakPolarHBondContact O-CB 3.15Å; L323-S327 PolarHBondContact O-N 3.39Å; L323-S327 PolarHBondContact O-OG 2.96Å
324	F	97.6	Very high	95.9	Very high	31 Å²	31	36.3 Å²	36.3	14%	0.136	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-46.7	175.4	-92	-89.7	0	0	0	111.8	V266 V320 C321 S327 A328 F428 A431 F432	V266-F324 HydrophobicContact CG1-CB 4.36Å; V320-F324 HydrophobicContact CG1-CD2 3.76Å; V320-F324 HydrophobicContact CG1-CE2 3.76Å; V320-F324 WeakPolarHBondContact O-CD2 3.37Å; V320-F324 PolarHBondContact O-N 3.02Å; C321-F324 PolarHBondContact O-N 3.29Å; F324-S327 PolarHBondContact O-N 3.25Å; F324-A328 PolarHBondContact O-N 3.33Å; F324-F428 HydrophobicContact CD1-CD1 4.05Å; F324-A431 HydrophobicContact CE1-CB 3.97Å; F324-A431 HydrophobicContact CZ-CB 3.86Å; F324-F432 HydrophobicContact CD1-CB 4.21Å; F324-F432 HydrophobicContact CD1-CD2 4.29Å; F324-F432 AromaticContact CD2-CD2 3.81Å; F324-F432 HydrophobicContact CD2-CD2 3.81Å; F324-F432 HydrophobicContact CD2-CE2 4.44Å; F324-F432 HydrophobicContact CE1-CB 3.79Å; F324-F432 HydrophobicContact CE1-CD2 4.36Å; F324-F432 AromaticContact CE2-CD2 3.89Å; F324-F432 HydrophobicContact CE2-CD2 3.89Å; F324-F432 HydrophobicContact CG-CD2 4.02Å; F324-F432 HydrophobicContact CZ-CB 3.97Å; F324-F432 HydrophobicContact CZ-CD2 4.17Å
325	V	97.6	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-42.4	179.7	173.5	0	0	0	0	111.5	I265 V266 T290 V291 C321 L322 S327 A328 L329	I265-V325 HydrophobicContact CG2-CG2 4.31Å; V266-V325 HydrophobicContact CB-CG2 4.49Å; V266-V325 HydrophobicContact CG2-CG2 3.96Å; T290-V325 WeakPolarHBondContact OG1-CG1 3.46Å; V291-V325 HydrophobicContact CB-CG1 4.47Å; V291-V325 HydrophobicContact CG2-CG1 3.8Å; C321-V325 VanDerWaalsContact O-CG2 3.31Å; C321-V325 WeakPolarHBondContact O-CG2 3.44Å; C321-V325 PolarHBondContact O-N 2.87Å; C321-V325 VanDerWaalsContact O-N 3.13Å; L322-V325 PolarHBondContact O-N 2.8Å; V325-S327 VanDerWaalsContact C-N 3.35Å; V325-A328 PolarHBondContact O-N 3.31Å; V325-L329 PolarHBondContact O-N 2.99Å
326	F	97.3	Very high	95.4	Very high	95 Å²	95	36.4 Å²	36.4	42%	0.417	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-38.5	174.2	-175.5	-110.1	0	0	0	112.1	V291 L322 A328 L329 L330	V291-F326 HydrophobicContact CG2-CB 4.47Å; V291-F326 HydrophobicContact CG2-CD2 4.43Å; L322-F326 VanDerWaalsContact O-CB 3.3Å; L322-F326 WeakPolarHBondContact O-CB 3.42Å; L322-F326 PolarHBondContact O-N 2.89Å; F326-A328 VanDerWaalsContact C-N 3.29Å; F326-A328 PolarHBondContact O-N 2.83Å; F326-L329 WeakPolarHBondContact O-CB 3.36Å; F326-L329 PolarHBondContact O-N 2.95Å; F326-L329 VanDerWaalsContact O-N 3.12Å; F326-L330 HydrophobicContact CD1-CD1 3.95Å; F326-L330 HydrophobicContact CD1-CG 4.29Å; F326-L330 HydrophobicContact CE1-CD1 3.65Å; F326-L330 HydrophobicContact CE1-CD2 4.33Å; F326-L330 HydrophobicContact CE1-CG 4.02Å; F326-L330 HydrophobicContact CZ-CD1 4.37Å; F326-L330 HydrophobicContact CZ-CD2 4.24Å; F326-L330 HydrophobicContact CZ-CG 4.33Å; F326-L330 PolarHBondContact O-N 2.79Å
327	S	96.6	Very high	95	Very high	40 Å²	40	39.1 Å²	39.1	28%	0.28	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-32.2	175.4	-61.2	0	0	0	0	112.5	L323 F324 V325 L329 L330 E331	L323-S327 VanDerWaalsContact O-CB 3.26Å; L323-S327 WeakPolarHBondContact O-CB 3.15Å; L323-S327 PolarHBondContact O-N 3.39Å; L323-S327 PolarHBondContact O-OG 2.96Å; F324-S327 PolarHBondContact O-N 3.25Å; V325-S327 VanDerWaalsContact C-N 3.35Å; S327-L329 VanDerWaalsContact C-N 3.34Å; S327-L330 PolarHBondContact O-N 3.25Å; S327-E331 WeakPolarHBondContact O-CB 3.2Å; S327-E331 PolarHBondContact O-N 2.94Å
328	A	95.4	Very high	94.4	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-69.2	-29.8	173.4	0	0	0	0	0	112.8	F273 F324 V325 F326 Y332 F428	F273-A328 HydrophobicContact CE1-CB 4.06Å; F273-A328 HydrophobicContact CZ-CB 3.78Å; F324-A328 PolarHBondContact O-N 3.33Å; V325-A328 PolarHBondContact O-N 3.31Å; F326-A328 VanDerWaalsContact C-N 3.29Å; F326-A328 PolarHBondContact O-N 2.83Å; A328-Y332 PolarHBondContact O-N 3.45Å; A328-F428 HydrophobicContact CB-CE1 4.15Å
329	L	94.5	Very high	93.6	Very high	40 Å²	40	41 Å²	41	21%	0.209	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-40.3	171.2	178.8	60.9	0	0	0	111.8	V291 V325 F326 S327 Y332 A333	V291-L329 HydrophobicContact CG2-CD2 4.33Å; V325-L329 PolarHBondContact O-N 2.99Å; F326-L329 WeakPolarHBondContact O-CB 3.36Å; F326-L329 PolarHBondContact O-N 2.95Å; F326-L329 VanDerWaalsContact O-N 3.12Å; S327-L329 VanDerWaalsContact C-N 3.34Å; L329-Y332 PolarHBondContact O-N 2.81Å; L329-A333 PolarHBondContact O-N 3.1Å
330	L	95.3	Very high	92.8	Very high	93 Å²	93	45.4 Å²	45.4	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-37.2	173.9	-68.6	-179.6	0	0	0	112.6	F326 S327 A333 A334	F326-L330 HydrophobicContact CD1-CD1 3.95Å; F326-L330 HydrophobicContact CD1-CG 4.29Å; F326-L330 HydrophobicContact CE1-CD1 3.65Å; F326-L330 HydrophobicContact CE1-CD2 4.33Å; F326-L330 HydrophobicContact CE1-CG 4.02Å; F326-L330 HydrophobicContact CZ-CD1 4.37Å; F326-L330 HydrophobicContact CZ-CD2 4.24Å; F326-L330 HydrophobicContact CZ-CG 4.33Å; F326-L330 PolarHBondContact O-N 2.79Å; S327-L330 PolarHBondContact O-N 3.25Å; L330-A333 WeakPolarHBondContact O-CB 3.35Å; L330-A333 PolarHBondContact O-N 2.8Å; L330-A334 PolarHBondContact O-N 3.39Å
331	E	95.6	Very high	91.8	Very high	15 Å²	15	49 Å²	49	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-56.6	-52	174.1	-172.8	-89.1	-176.5	0	0	111.1	F273 R283 S327 A333 A334 V335 I420 S424 F428	F273-E331 VanDerWaalsContact CD1-CD 3.49Å; F273-E331 HydrophobicContact CD1-CG 4.28Å; F273-E331 WeakPolarHBondContact CD1-OE2 3.44Å; F273-E331 HydrophobicContact CE1-CB 4.08Å; F273-E331 VanDerWaalsContact CE1-CD 3.5Å; F273-E331 HydrophobicContact CE1-CG 3.8Å; F273-E331 WeakPolarHBondContact CE1-OE2 3.22Å; R283-E331 IonicContact NH2-OE1 2.78Å; R283-E331 IonicContact NH2-OE2 2.79Å; R283-E331 PolarHBondContact NH2-OE2 2.91Å; S327-E331 WeakPolarHBondContact O-CB 3.2Å; S327-E331 PolarHBondContact O-N 2.94Å; E331-A333 VanDerWaalsContact C-N 3.31Å; E331-A333 PolarHBondContact O-N 3.04Å; E331-A334 WeakPolarHBondContact O-CB 3.2Å; E331-A334 PolarHBondContact O-N 2.78Å; E331-A334 VanDerWaalsContact O-N 3.16Å; E331-V335 WeakPolarHBondContact O-CG2 3.17Å; E331-V335 PolarHBondContact O-N 2.89Å; E331-I420 HydrophobicContact CG-CG2 4.14Å; E331-S424 VanDerWaalsContact CG-OG 3.22Å; E331-S424 WeakPolarHBondContact CG-OG 3.47Å; E331-S424 VanDerWaalsContact OE1-CB 3.31Å; E331-S424 WeakPolarHBondContact OE1-CB 3.49Å; E331-S424 PolarHBondContact OE1-OG 3.02Å; E331-F428 HydrophobicContact CB-CZ 4.4Å
332	Y	92.8	Very high	90.3	Very high	8 Å²	8	49.8 Å²	49.8	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-37.6	176.8	165.6	-100.3	0	0	0	111.9	A280 R283 V284 A328 L329 A334 V335 N336	A280-Y332 VanDerWaalsContact CA-OH 3.31Å; A280-Y332 WeakPolarHBondContact CA-OH 3.5Å; A280-Y332 WeakPolarHBondContact CB-OH 3.4Å; R283-Y332 HydrophobicContact CB-CD1 4.25Å; R283-Y332 HydrophobicContact CB-CD2 3.56Å; R283-Y332 HydrophobicContact CB-CE1 4.45Å; R283-Y332 HydrophobicContact CB-CE2 3.77Å; R283-Y332 HydrophobicContact CB-CG 3.81Å; R283-Y332 HydrophobicContact CG-CD2 4.13Å; R283-Y332 HydrophobicContact CG-CE2 4.42Å; V284-Y332 HydrophobicContact CG2-CD1 4.21Å; V284-Y332 HydrophobicContact CG2-CE1 3.39Å; A328-Y332 PolarHBondContact O-N 3.45Å; L329-Y332 PolarHBondContact O-N 2.81Å; Y332-A334 VanDerWaalsContact C-N 3.32Å; Y332-A334 PolarHBondContact O-N 3.31Å; Y332-V335 PolarHBondContact O-N 3.23Å; Y332-N336 HydrophobicContact CE1-CB 4.33Å; Y332-N336 HydrophobicContact CE2-CB 4.04Å; Y332-N336 VanDerWaalsContact O-CB 3.23Å; Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 2.83Å; Y332-N336 PolarHBondContact OH-ND2 2.94Å
333	A	92.3	Very high	89	Confident	47 Å²	47	52.1 Å²	52.1	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-41.7	175.3	0	0	0	0	0	111.8	L329 L330 E331 F337	L329-A333 PolarHBondContact O-N 3.1Å; L330-A333 WeakPolarHBondContact O-CB 3.35Å; L330-A333 PolarHBondContact O-N 2.8Å; E331-A333 VanDerWaalsContact C-N 3.31Å; E331-A333 PolarHBondContact O-N 3.04Å; A333-F337 WeakPolarHBondContact O-CB 3.47Å; A333-F337 PolarHBondContact O-N 2.79Å
334	A	90.9	Very high	87.6	Confident	46 Å²	46	52.3 Å²	52.3	38%	0.38	26%	0.262	S	S	.	.	H	α-helix	trans	-66.5	-45.1	174.8	0	0	0	0	0	112.5	L330 E331 Y332 N336 F337 V338	L330-A334 PolarHBondContact O-N 3.39Å; E331-A334 WeakPolarHBondContact O-CB 3.2Å; E331-A334 PolarHBondContact O-N 2.78Å; E331-A334 VanDerWaalsContact O-N 3.16Å; Y332-A334 VanDerWaalsContact C-N 3.32Å; Y332-A334 PolarHBondContact O-N 3.31Å; A334-N336 PolarHBondContact O-N 2.59Å; A334-F337 PolarHBondContact O-N 3.29Å; A334-V338 WeakPolarHBondContact O-CG2 3.47Å; A334-V338 PolarHBondContact O-N 2.89Å
335	V	89.6	Confident	86.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-46.7	175.9	170.7	0	0	0	0	111.2	M277 E331 Y332 S339 I420	M277-V335 HydrophobicContact CB-CG1 3.84Å; M277-V335 HydrophobicContact CE-CG1 4.02Å; M277-V335 HydrophobicContact SD-CG1 4.43Å; E331-V335 WeakPolarHBondContact O-CG2 3.17Å; E331-V335 PolarHBondContact O-N 2.89Å; Y332-V335 PolarHBondContact O-N 3.23Å; V335-S339 VanDerWaalsContact O-CB 3.3Å; V335-S339 WeakPolarHBondContact O-CB 3.37Å; V335-S339 PolarHBondContact O-N 3.32Å; V335-I420 HydrophobicContact CG2-CB 3.96Å; V335-I420 HydrophobicContact CG2-CD1 4.43Å; V335-I420 HydrophobicContact CG2-CG2 3.7Å
336	N	89.1	Confident	84.6	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.193	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-41.3	176.9	-180	25.7	0	0	0	111.8	Y332 A334 S339 R340	Y332-N336 HydrophobicContact CE1-CB 4.33Å; Y332-N336 HydrophobicContact CE2-CB 4.04Å; Y332-N336 VanDerWaalsContact O-CB 3.23Å; Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 2.83Å; Y332-N336 PolarHBondContact OH-ND2 2.94Å; A334-N336 PolarHBondContact O-N 2.59Å; N336-S339 PolarHBondContact O-N 3.16Å; N336-R340 VanDerWaalsContact O-CB 3.3Å; N336-R340 WeakPolarHBondContact O-CB 3.32Å; N336-R340 VanDerWaalsContact O-CG 3.28Å; N336-R340 WeakPolarHBondContact O-CG 3.3Å; N336-R340 PolarHBondContact O-N 3.2Å; N336-R340 WeakPolarHBondContact OD1-CD 3.48Å; N336-R340 PolarHBondContact OD1-NE 2.92Å
337	F	88.3	Confident	83.3	Confident	122 Å²	122	60.4 Å²	60.4	54%	0.535	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-48.8	176.1	179.5	-98.1	0	0	0	112.3	A333 A334 S339 R340 Q341	A333-F337 WeakPolarHBondContact O-CB 3.47Å; A333-F337 PolarHBondContact O-N 2.79Å; A334-F337 PolarHBondContact O-N 3.29Å; F337-S339 VanDerWaalsContact C-N 3.32Å; F337-S339 PolarHBondContact O-N 2.85Å; F337-R340 PolarHBondContact O-N 2.71Å; F337-R340 VanDerWaalsContact O-N 3.16Å; F337-Q341 HydrophobicContact CD1-CG 4.4Å; F337-Q341 VanDerWaalsContact CE1-CD 3.49Å; F337-Q341 HydrophobicContact CE1-CG 3.92Å; F337-Q341 HydrophobicContact CE2-CG 4.26Å; F337-Q341 HydrophobicContact CZ-CG 3.84Å; F337-Q341 PolarHBondContact O-N 2.95Å
338	V	85.2	Confident	81.9	Confident	29 Å²	29	64.8 Å²	64.8	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-40.8	177.1	173.2	0	0	0	0	111.1	A334 H342 F413 A417	A334-V338 WeakPolarHBondContact O-CG2 3.47Å; A334-V338 PolarHBondContact O-N 2.89Å; V338-H342 PolarHBondContact O-N 2.9Å; V338-F413 HydrophobicContact CG1-CD1 4.33Å; V338-A417 HydrophobicContact CG1-CB 4.35Å
339	S	80.6	Confident	80.4	Confident	14 Å²	14	70.8 Å²	70.8	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-37	175	-172.9	0	0	0	0	112.9	V335 N336 F337 K343	V335-S339 VanDerWaalsContact O-CB 3.3Å; V335-S339 WeakPolarHBondContact O-CB 3.37Å; V335-S339 PolarHBondContact O-N 3.32Å; N336-S339 PolarHBondContact O-N 3.16Å; F337-S339 VanDerWaalsContact C-N 3.32Å; F337-S339 PolarHBondContact O-N 2.85Å; S339-K343 WeakPolarHBondContact O-CG 3.12Å; S339-K343 PolarHBondContact O-N 3.44Å; S339-K343 VanDerWaalsContact O-N 3.15Å
340	R	79.9	Confident	79.1	Confident	148 Å²	148	77.6 Å²	77.6	56%	0.558	36%	0.356	S	S	*	.	H	α-helix	trans	-74.6	-45	179.5	-79	-179.9	178.7	-130.6	-1.4	113.9	N336 F337 H342 K343 E344	N336-R340 VanDerWaalsContact O-CB 3.3Å; N336-R340 WeakPolarHBondContact O-CB 3.32Å; N336-R340 VanDerWaalsContact O-CG 3.28Å; N336-R340 WeakPolarHBondContact O-CG 3.3Å; N336-R340 PolarHBondContact O-N 3.2Å; N336-R340 WeakPolarHBondContact OD1-CD 3.48Å; N336-R340 PolarHBondContact OD1-NE 2.92Å; F337-R340 PolarHBondContact O-N 2.71Å; F337-R340 VanDerWaalsContact O-N 3.16Å; R340-H342 PolarHBondContact O-N 3.31Å; R340-K343 WeakPolarHBondContact O-CA 3.48Å; R340-K343 PolarHBondContact O-N 3.18Å; R340-E344 PolarHBondContact O-N 2.85Å
341	Q	75.6	Confident	77.7	Confident	107 Å²	107	79.1 Å²	79.1	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-52.9	-41.3	174.3	-79.6	-161	-38.5	0	0	111.1	F337 E344 L345	F337-Q341 HydrophobicContact CD1-CG 4.4Å; F337-Q341 VanDerWaalsContact CE1-CD 3.49Å; F337-Q341 HydrophobicContact CE1-CG 3.92Å; F337-Q341 HydrophobicContact CE2-CG 4.26Å; F337-Q341 HydrophobicContact CZ-CG 3.84Å; F337-Q341 PolarHBondContact O-N 2.95Å; Q341-E344 PolarHBondContact O-N 2.88Å; Q341-L345 WeakPolarHBondContact O-CB 3.46Å; Q341-L345 PolarHBondContact O-N 2.98Å
342	H	68	Low	76.2	Confident	17 Å²	17	84.9 Å²	84.9	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-65.1	-42.9	174.4	163.3	-102.9	0	0	0	113.2	V338 R340 E344 L345 L346 R410 F413	V338-H342 PolarHBondContact O-N 2.9Å; R340-H342 PolarHBondContact O-N 3.31Å; H342-E344 VanDerWaalsContact C-N 3.29Å; H342-E344 PolarHBondContact O-N 2.89Å; H342-L345 PolarHBondContact O-N 2.79Å; H342-L346 VanDerWaalsContact NE2-CD1 3.29Å; H342-L346 WeakPolarHBondContact NE2-CD1 3.41Å; H342-L346 WeakPolarHBondContact O-CG 3.29Å; H342-L346 PolarHBondContact O-N 3.05Å; H342-R410 WeakPolarHBondContact NE2-CA 3.49Å; H342-R410 WeakPolarHBondContact NE2-CB 3.32Å; H342-R410 WeakPolarHBondContact NE2-CG 3.29Å; H342-F413 HydrophobicContact CB-CB 4.22Å
343	K	68.4	Low	74.7	Confident	96 Å²	96	91.6 Å²	91.6	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-33.9	175.7	-75.3	174.3	-177.9	174.8	0	112.4	D278 S339 R340 R347	D278-K343 IonicContact OD1-NZ 3.2Å; D278-K343 PolarHBondContact OD1-NZ 3.09Å; S339-K343 WeakPolarHBondContact O-CG 3.12Å; S339-K343 PolarHBondContact O-N 3.44Å; S339-K343 VanDerWaalsContact O-N 3.15Å; R340-K343 WeakPolarHBondContact O-CA 3.48Å; R340-K343 PolarHBondContact O-N 3.18Å; K343-R347 WeakPolarHBondContact O-CG 3.33Å; K343-R347 PolarHBondContact O-N 3.44Å
344	E	69.8	Low	73.3	Confident	111 Å²	111	92.2 Å²	92.2	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-79.4	-43.8	176.3	-66.2	-169.6	157.1	0	0	113.1	R340 Q341 H342 L346 R347 F348	R340-E344 PolarHBondContact O-N 2.85Å; Q341-E344 PolarHBondContact O-N 2.88Å; H342-E344 VanDerWaalsContact C-N 3.29Å; H342-E344 PolarHBondContact O-N 2.89Å; E344-L346 PolarHBondContact O-N 2.84Å; E344-R347 WeakPolarHBondContact O-CA 3.37Å; E344-R347 WeakPolarHBondContact O-CB 3.45Å; E344-R347 PolarHBondContact O-N 2.95Å; E344-F348 VanDerWaalsContact O-CD2 3.3Å; E344-F348 WeakPolarHBondContact O-CD2 3.04Å; E344-F348 PolarHBondContact O-N 2.88Å
345	L	65.7	Low	71.9	Confident	83 Å²	83	96.9 Å²	96.9	44%	0.435	43%	0.43	S	S	.	.	H	α-helix	trans	-56.6	-37.1	174.7	-176.7	63.6	0	0	0	111.9	Q341 H342 R349	Q341-L345 WeakPolarHBondContact O-CB 3.46Å; Q341-L345 PolarHBondContact O-N 2.98Å; H342-L345 PolarHBondContact O-N 2.79Å; L345-R349 WeakPolarHBondContact O-CG 3.25Å; L345-R349 PolarHBondContact O-N 3.46Å
346	L	65.4	Low	70.5	Confident	37 Å²	37	100.3 Å²	100.3	19%	0.194	45%	0.451	C	S	.	.	H	α-helix	trans	-68.8	-36.2	171.8	-75.6	-176.3	0	0	0	113.6	H342 E344 R350	H342-L346 VanDerWaalsContact NE2-CD1 3.29Å; H342-L346 WeakPolarHBondContact NE2-CD1 3.41Å; H342-L346 WeakPolarHBondContact O-CG 3.29Å; H342-L346 PolarHBondContact O-N 3.05Å; E344-L346 PolarHBondContact O-N 2.84Å; L346-R350 WeakPolarHBondContact O-CB 3.32Å; L346-R350 VanDerWaalsContact O-CG 3.3Å; L346-R350 WeakPolarHBondContact O-CG 3.45Å; L346-R350 PolarHBondContact O-N 3.18Å
347	R	69.6	Low	69.1	Low	175 Å²	175	104.4 Å²	104.4	66%	0.66	47%	0.467	S	S	*	.	H	α-helix	trans	-63.9	-50.2	176.8	-79.3	171.8	170.6	-169.9	-4.7	111	K343 E344 R349 R350 Q351	K343-R347 WeakPolarHBondContact O-CG 3.33Å; K343-R347 PolarHBondContact O-N 3.44Å; E344-R347 WeakPolarHBondContact O-CA 3.37Å; E344-R347 WeakPolarHBondContact O-CB 3.45Å; E344-R347 PolarHBondContact O-N 2.95Å; R347-R349 PolarHBondContact O-N 3.09Å; R347-R350 PolarHBondContact O-N 2.79Å; R347-Q351 PolarHBondContact O-N 3.13Å
348	F	68.3	Low	67.6	Low	133 Å²	133	104.1 Å²	104.1	58%	0.583	47%	0.467	S	S	*	.	H	α-helix	trans	-60.4	-45	177.8	-73	-67	0	0	0	112.3	E344 R350 Q351 H352	E344-F348 VanDerWaalsContact O-CD2 3.3Å; E344-F348 WeakPolarHBondContact O-CD2 3.04Å; E344-F348 PolarHBondContact O-N 2.88Å; F348-R350 VanDerWaalsContact C-N 3.34Å; F348-R350 PolarHBondContact O-N 2.89Å; F348-Q351 PolarHBondContact O-N 3.19Å; F348-H352 PolarHBondContact O-N 3.36Å
349	R	63.4	Low	66.4	Low	129 Å²	129	106.9 Å²	106.9	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-69.2	-29	178.1	-65.5	-176.3	97.7	174.7	5	113.1	L345 R347 K353	L345-R349 WeakPolarHBondContact O-CG 3.25Å; L345-R349 PolarHBondContact O-N 3.46Å; R347-R349 PolarHBondContact O-N 3.09Å; R349-K353 WeakPolarHBondContact O-CB 3.43Å; R349-K353 PolarHBondContact O-N 3.18Å
350	R	66.7	Low	65.1	Low	184 Å²	184	111.8 Å²	111.8	69%	0.694	51%	0.506	S	S	*	.	H	α-helix	trans	-68.8	-44.1	169.9	-80.6	178.7	172.9	-170.4	-3.9	112.2	L346 R347 F348 H352 K353 S354	L346-R350 WeakPolarHBondContact O-CB 3.32Å; L346-R350 VanDerWaalsContact O-CG 3.3Å; L346-R350 WeakPolarHBondContact O-CG 3.45Å; L346-R350 PolarHBondContact O-N 3.18Å; R347-R350 PolarHBondContact O-N 2.79Å; F348-R350 VanDerWaalsContact C-N 3.34Å; F348-R350 PolarHBondContact O-N 2.89Å; R350-H352 PolarHBondContact O-N 3.32Å; R350-K353 PolarHBondContact O-N 2.91Å; R350-S354 PolarHBondContact O-N 2.95Å
351	Q	66.3	Low	64.1	Low	124 Å²	124	110.4 Å²	110.4	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-60.7	-43.6	174.8	-77.2	179	-39	0	0	111.7	R347 F348 S354 K355	R347-Q351 PolarHBondContact O-N 3.13Å; F348-Q351 PolarHBondContact O-N 3.19Å; Q351-S354 WeakPolarHBondContact O-CB 3.39Å; Q351-S354 PolarHBondContact O-N 2.88Å; Q351-K355 PolarHBondContact O-N 2.93Å
352	H	63.8	Low	63	Low	136 Å²	136	113.1 Å²	113.1	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-59.4	-48.5	173.7	-109.4	-80.8	0	0	0	112.2	F348 R350 S354 K355 T356	F348-H352 PolarHBondContact O-N 3.36Å; R350-H352 PolarHBondContact O-N 3.32Å; H352-S354 PolarHBondContact O-N 3.04Å; H352-K355 PolarHBondContact O-N 2.91Å; H352-T356 PolarHBondContact O-N 3.44Å; H352-T356 PolarHBondContact O-OG1 2.91Å
353	K	62.6	Low	62.3	Low	149 Å²	149	120.2 Å²	120.2	65%	0.648	55%	0.554	S	S	*	*	H	α-helix	trans	-68.3	-21.7	180	-159.4	170.7	-173.3	176.5	0	113.3	R349 R350 K357	R349-K353 WeakPolarHBondContact O-CB 3.43Å; R349-K353 PolarHBondContact O-N 3.18Å; R350-K353 PolarHBondContact O-N 2.91Å; K353-K357 PolarHBondContact O-N 2.84Å
354	S	62	Low	61.2	Low	60 Å²	60	119.9 Å²	119.9	42%	0.42	56%	0.564	S	S	.	*	H	α-helix	trans	-70.6	-53.6	168.4	-158	0	0	0	0	110.6	R350 Q351 H352 T356 K357 E358	R350-S354 PolarHBondContact O-N 2.95Å; Q351-S354 WeakPolarHBondContact O-CB 3.39Å; Q351-S354 PolarHBondContact O-N 2.88Å; H352-S354 PolarHBondContact O-N 3.04Å; S354-T356 VanDerWaalsContact C-N 3.34Å; S354-T356 PolarHBondContact O-N 2.98Å; S354-K357 WeakPolarHBondContact O-CB 3.2Å; S354-K357 PolarHBondContact O-N 3.39Å; S354-E358 PolarHBondContact O-N 3.31Å
355	K	61.2	Low	59.8	Low	145 Å²	145	124.5 Å²	124.5	63%	0.63	58%	0.577	S	S	*	*	H	α-helix	trans	-58.9	-40.9	179.9	-73.9	-171.4	172	-169.1	0	113.1	Q351 H352 K357 E358 V359	Q351-K355 PolarHBondContact O-N 2.93Å; H352-K355 PolarHBondContact O-N 2.91Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 2.85Å; K355-E358 WeakPolarHBondContact CA-OE2 3.34Å; K355-E358 PolarHBondContact O-N 3.11Å; K355-V359 WeakPolarHBondContact O-CG2 3.31Å; K355-V359 PolarHBondContact O-N 2.83Å; K355-V359 VanDerWaalsContact O-N 3.1Å
356	T	60.7	Low	58.7	Low	72 Å²	72	126.2 Å²	126.2	44%	0.442	59%	0.593	S	S	.	*	H	α-helix	trans	-60.3	-42.9	174.8	-56.7	0	0	0	0	111.4	H352 S354 V359 E360	H352-T356 PolarHBondContact O-N 3.44Å; H352-T356 PolarHBondContact O-OG1 2.91Å; S354-T356 VanDerWaalsContact C-N 3.34Å; S354-T356 PolarHBondContact O-N 2.98Å; T356-V359 PolarHBondContact O-N 3.43Å; T356-E360 HydrophobicContact CG2-CG 4.49Å; T356-E360 WeakPolarHBondContact O-CG 3.38Å; T356-E360 PolarHBondContact O-N 2.86Å
357	K	59.3	Low	57.4	Low	122 Å²	122	130.1 Å²	130.1	53%	0.53	62%	0.618	S	S	.	*	H	α-helix	trans	-67.3	-36.6	176.7	-81.7	-165.1	163.1	-146.5	0	113.6	K353 S354 K355 V359 E360 I361	K353-K357 PolarHBondContact O-N 2.84Å; S354-K357 WeakPolarHBondContact O-CB 3.2Å; S354-K357 PolarHBondContact O-N 3.39Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 2.85Å; K357-V359 VanDerWaalsContact C-N 3.3Å; K357-E360 PolarHBondContact O-N 3.15Å; K357-I361 WeakPolarHBondContact O-CB 3.28Å; K357-I361 WeakPolarHBondContact O-CD1 3.3Å; K357-I361 WeakPolarHBondContact O-CG1 3.34Å; K357-I361 PolarHBondContact O-N 2.82Å
358	E	57.8	Low	55.8	Low	115 Å²	115	127.8 Å²	127.8	54%	0.537	63%	0.628	S	S	.	*	H	α-helix	trans	-63.1	-38.9	175.8	-71.2	166.4	145.9	0	0	110.9	S354 K355 Q362	S354-E358 PolarHBondContact O-N 3.31Å; K355-E358 WeakPolarHBondContact CA-OE2 3.34Å; K355-E358 PolarHBondContact O-N 3.11Å; E358-Q362 WeakPolarHBondContact O-CB 3.45Å; E358-Q362 PolarHBondContact O-N 2.83Å
359	V	58.8	Low	54.3	Low	88 Å²	88	127.4 Å²	127.4	53%	0.533	64%	0.637	S	S	.	*	H	α-helix	trans	-68.5	-48.1	173.8	175.3	0	0	0	0	112	K355 T356 K357 I361 Q362 E363	K355-V359 WeakPolarHBondContact O-CG2 3.31Å; K355-V359 PolarHBondContact O-N 2.83Å; K355-V359 VanDerWaalsContact O-N 3.1Å; T356-V359 PolarHBondContact O-N 3.43Å; K357-V359 VanDerWaalsContact C-N 3.3Å; V359-I361 VanDerWaalsContact C-N 3.28Å; V359-I361 PolarHBondContact O-N 3.22Å; V359-Q362 PolarHBondContact O-N 2.96Å; V359-E363 PolarHBondContact O-N 2.74Å; V359-E363 VanDerWaalsContact O-N 3.13Å
360	E	54.7	Low	52.8	Low	116 Å²	116	126.2 Å²	126.2	54%	0.542	66%	0.655	S	S	.	*	H	α-helix	trans	-56.4	-40.1	177.4	-73.8	171.3	154.8	0	0	112.4	T356 K357 Q362 S364	T356-E360 HydrophobicContact CG2-CG 4.49Å; T356-E360 WeakPolarHBondContact O-CG 3.38Å; T356-E360 PolarHBondContact O-N 2.86Å; K357-E360 PolarHBondContact O-N 3.15Å; E360-Q362 VanDerWaalsContact C-N 3.32Å; E360-S364 PolarHBondContact O-N 2.82Å
361	I	57.3	Low	51.1	Low	119 Å²	119	122.3 Å²	122.3	61%	0.61	66%	0.662	S	S	*	*	H	α-helix	trans	-70.2	-29.5	177.6	-69.7	165.9	0	0	0	111.7	K357 V359 S364	K357-I361 WeakPolarHBondContact O-CB 3.28Å; K357-I361 WeakPolarHBondContact O-CD1 3.3Å; K357-I361 WeakPolarHBondContact O-CG1 3.34Å; K357-I361 PolarHBondContact O-N 2.82Å; V359-I361 VanDerWaalsContact C-N 3.28Å; V359-I361 PolarHBondContact O-N 3.22Å; I361-S364 PolarHBondContact O-OG 2.93Å; I361-S364 VanDerWaalsContact O-OG 3.07Å
362	Q	53.8	Low	49.4	Very low	165 Å²	165	123.4 Å²	123.4	77%	0.771	68%	0.677	S	S	*	*	H	α-helix	trans	-79.6	-29.7	-178.6	-168.6	164	-6.2	0	0	112.9	E358 V359 E360	E358-Q362 WeakPolarHBondContact O-CB 3.45Å; E358-Q362 PolarHBondContact O-N 2.83Å; V359-Q362 PolarHBondContact O-N 2.96Å; E360-Q362 VanDerWaalsContact C-N 3.32Å
363	E	52.5	Low	48	Very low	166 Å²	166	123.1 Å²	123.1	78%	0.776	69%	0.685	S	S	*	*	H	α-helix	trans	-73.3	-26.3	171.7	-73.6	-170.2	127.5	0	0	113.1	V359 R365	V359-E363 PolarHBondContact O-N 2.74Å; V359-E363 VanDerWaalsContact O-N 3.13Å; E363-R365 PolarHBondContact O-N 2.82Å
364	S	46.2	Very low	46.4	Very low	89 Å²	89	120.9 Å²	120.9	62%	0.622	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	15.3	-173.3	73	0	0	0	0	115.8	E360 I361 P366	E360-S364 PolarHBondContact O-N 2.82Å; I361-S364 PolarHBondContact O-OG 2.93Å; I361-S364 VanDerWaalsContact O-OG 3.07Å; S364-P366 WeakPolarHBondContact O-CD 3.41Å
365	R	40	Very low	44.8	Very low	208 Å²	208	124 Å²	124	79%	0.785	71%	0.705	S	S	*	*			trans	-107	101.5	-173.3	-164.9	174.8	-170.2	170.6	3	111.9	E363 T367	E363-R365 PolarHBondContact O-N 2.82Å; R365-T367 PolarHBondContact O-N 2.93Å
366	P	41.5	Very low	44	Very low	119 Å²	119	122.2 Å²	122.2	77%	0.773	71%	0.708	S	S	*	*			trans	-66.5	128.7	-178.5	27.5	-34.2	0	0	0	110.9	S364	S364-P366 WeakPolarHBondContact O-CD 3.41Å
367	T	39.5	Very low	42.4	Very low	119 Å²	119	124 Å²	124	73%	0.73	72%	0.724	S	S	*	*			trans	-108.3	98.2	179.6	-59.5	0	0	0	0	109.7	R365 T369	R365-T367 PolarHBondContact O-N 2.93Å; T367-T369 HydrophobicContact CG2-CG2 4.22Å
368	S	34.4	Very low	40.9	Very low	125 Å²	125	122.9 Å²	122.9	87%	0.874	73%	0.731	S	S	*	*			trans	-101	114.8	169.6	-66	0	0	0	0	109.7
369	T	37.1	Very low	39.5	Very low	125 Å²	125	122.7 Å²	122.7	77%	0.767	74%	0.738	S	S	*	*			trans	-106.2	137.4	-179.2	37.1	0	0	0	0	111.8	T367	T367-T369 HydrophobicContact CG2-CG2 4.22Å
370	A	33.6	Very low	38.1	Very low	105 Å²	105	127.1 Å²	127.1	87%	0.868	75%	0.75	S	S	*	*			trans	-170.1	110.9	147.7	0	0	0	0	0	112.3
371	A	29.7	Very low	36.8	Very low	102 Å²	102	126.9 Å²	126.9	84%	0.843	75%	0.752	S	S	*	*			trans	-149.4	124.1	148.8	0	0	0	0	0	107
372	V	31.9	Very low	35.5	Very low	146 Å²	146	125.9 Å²	125.9	89%	0.885	75%	0.752	S	S	*	*			trans	-72.7	147.1	-159.5	174.6	0	0	0	0	113.8
373	T	33.4	Very low	34.3	Very low	131 Å²	131	126.7 Å²	126.7	80%	0.804	75%	0.753	S	S	*	*			trans	-119.3	141.5	160	-54.3	0	0	0	0	109.8
374	S	28.9	Very low	33.2	Very low	102 Å²	102	124.3 Å²	124.3	71%	0.713	75%	0.75	S	S	*	*			trans	-94.9	109.5	179.3	54.4	0	0	0	0	113.6
375	T	28.1	Very low	32.5	Very low	126 Å²	126	126.3 Å²	126.3	77%	0.773	75%	0.753	S	S	*	*			trans	-1.2	162.2	140	46.4	0	0	0	0	121.3
376	P	44	Very low	32	Very low	106 Å²	106	120.2 Å²	120.2	69%	0.688	75%	0.747	S	S	*	*			cis	-146.9	-172.6	-19.2	38.3	-17.9	0	0	0	116.7
377	S	27.5	Very low	31.6	Very low	111 Å²	111	120.8 Å²	120.8	78%	0.776	74%	0.744	S	S	*	*			trans	77.7	154.9	155.6	82	0	0	0	0	116.8
378	S	27.2	Very low	31.2	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	75%	0.745	S	S	*	*			cis	-165.2	159.2	10.6	-138.3	0	0	0	0	109.4
379	T	28.8	Very low	31	Very low	111 Å²	111	119.8 Å²	119.8	68%	0.681	74%	0.736	S	S	*	*			cis	-168	162.2	-8.4	0.1	0	0	0	0	110.4
380	K	29.4	Very low	30.5	Very low	182 Å²	182	121.2 Å²	121.2	79%	0.791	74%	0.744	S	S	*	*			trans	69.7	151.4	149.9	-76	-172.9	168.3	-167.9	0	119.5
381	D	27.4	Very low	30.3	Very low	111 Å²	111	119.3 Å²	119.3	59%	0.594	73%	0.734	S	S	*	*			cis	-155.7	152.6	-8.5	-133.6	-45.8	0	0	0	112.8
382	T	29.6	Very low	30.5	Very low	98 Å²	98	119.6 Å²	119.6	60%	0.601	74%	0.737	S	S	*	*			trans	50.6	137.9	139.1	-77.3	0	0	0	0	122.4
383	K	29.9	Very low	30.2	Very low	181 Å²	181	118.7 Å²	118.7	79%	0.787	73%	0.731	S	S	*	*			cis	-165.6	-175.9	-10.7	-94.4	170.1	-159.1	157	0	105.7
384	V	29.6	Very low	30.2	Very low	117 Å²	117	118.3 Å²	118.3	71%	0.709	73%	0.734	S	S	*	*			cis	-154.3	169.8	9.7	91.7	0	0	0	0	112
385	N	30.2	Very low	30.2	Very low	130 Å²	130	119.4 Å²	119.4	70%	0.695	73%	0.731	S	S	*	*			trans	-18.7	167.7	161.5	-51.2	-0.9	0	0	0	120.6
386	A	30.6	Very low	30.6	Very low	80 Å²	80	118.6 Å²	118.6	66%	0.661	73%	0.73	S	S	*	*			cis	-150.2	145	19.6	0	0	0	0	0	112.6
387	N	31.9	Very low	29.9	Very low	131 Å²	131	121.4 Å²	121.4	70%	0.701	73%	0.734	S	S	*	*				64.9	136.2	92.2	-56.8	8.9	0	0	0	113.8
388	N	31.5	Very low	30.3	Very low	141 Å²	141	123.7 Å²	123.7	75%	0.754	74%	0.737	S	S	*	*			cis	-147	147.2	8	-96.8	-19.1	0	0	0	107.9
389	A	30	Very low	30.3	Very low	82 Å²	82	123.2 Å²	123.2	68%	0.678	74%	0.739	S	S	*	*				81.4	149.9	61.6	0	0	0	0	0	114.8
390	V	28.2	Very low	30.5	Very low	156 Å²	156	124 Å²	124	95%	0.945	75%	0.746	S	S	*	*			trans	71.4	138.6	-168.9	-167.2	0	0	0	0	113.2
391	G	27.4	Very low	30.9	Very low	64 Å²	64	119.3 Å²	119.3	66%	0.66	75%	0.749	S	S	*	*			cis	179.7	150.3	-6.3	0	0	0	0	0	109.9
392	A	35.6	Very low	31.4	Very low	108 Å²	108	117.5 Å²	117.5	89%	0.893	76%	0.758	S	S	*	*			trans	-80.5	135.5	-168.1	0	0	0	0	0	114.2
393	V	25.5	Very low	32	Very low	127 Å²	127	116.3 Å²	116.3	77%	0.77	76%	0.764	S	S	*	*			trans	-135.2	123.9	159.6	-178.6	0	0	0	0	108.6	I395	V393-I395 HydrophobicContact CG1-CG1 4.27Å; V393-I395 PolarHBondContact O-N 2.98Å
394	S	33.3	Very low	33.1	Very low	123 Å²	123	115.1 Å²	115.1	86%	0.86	76%	0.755	S	S	*	*			trans	-81.3	100.2	176.1	38.3	0	0	0	0	110.9
395	I	27.6	Very low	34.8	Very low	126 Å²	126	112 Å²	112	65%	0.646	74%	0.738	S	S	*	*			trans	-92.8	110.1	170.8	-67	177.8	0	0	0	109.4	V393 Q397	V393-I395 HydrophobicContact CG1-CG1 4.27Å; V393-I395 PolarHBondContact O-N 2.98Å; I395-Q397 HydrophobicContact CG2-CB 4.49Å; I395-Q397 HydrophobicContact CG2-CG 3.82Å; I395-Q397 PolarHBondContact O-N 3.23Å
396	S	37	Very low	36.3	Very low	108 Å²	108	108.7 Å²	108.7	76%	0.755	72%	0.723	S	S	*	*			trans	-69.9	113.4	161.3	-179.5	0	0	0	0	108.9
397	Q	28.6	Very low	38	Very low	166 Å²	166	110.7 Å²	110.7	78%	0.776	72%	0.719	S	S	*	*			trans	-116.6	100.9	169.8	-98	177.9	12.1	0	0	110.4	I395 A399	I395-Q397 HydrophobicContact CG2-CB 4.49Å; I395-Q397 HydrophobicContact CG2-CG 3.82Å; I395-Q397 PolarHBondContact O-N 3.23Å; Q397-A399 VanDerWaalsContact C-N 3.34Å; Q397-A399 PolarHBondContact O-N 2.75Å
398	N	36.2	Very low	39.9	Very low	158 Å²	158	109.4 Å²	109.4	85%	0.845	71%	0.708	S	S	*	*			trans	-63.5	92.7	162.8	-79.3	-32.9	0	0	0	109.4
399	A	28.7	Very low	41.5	Very low	87 Å²	87	105.5 Å²	105.5	72%	0.719	69%	0.686	S	S	*	*			trans	-73.6	128.9	165.1	0	0	0	0	0	109.3	Q397 G401	Q397-A399 VanDerWaalsContact C-N 3.34Å; Q397-A399 PolarHBondContact O-N 2.75Å; A399-G401 PolarHBondContact O-N 2.87Å
400	P	32.6	Very low	43.3	Very low	127 Å²	127	107 Å²	107	83%	0.825	67%	0.674	S	S	*	*			trans	-67.9	122.8	-175.3	25.9	-33.6	0	0	0	111.4	G402	P400-G402 PolarHBondContact O-N 3.29Å
401	G	37.3	Very low	45.5	Very low	84 Å²	84	106.2 Å²	106.2	87%	0.866	66%	0.658	S	S	*	*			trans	-71.1	62.5	-179.8	0	0	0	0	0	114.4	A399 G403	A399-G401 PolarHBondContact O-N 2.87Å; G401-G403 VanDerWaalsContact C-N 3.3Å; G401-G403 PolarHBondContact O-N 3.27Å
402	G	38	Very low	47.7	Very low	74 Å²	74	107 Å²	107	76%	0.763	65%	0.647	S	S	*	*			trans	-80.8	-1.4	178.6	0	0	0	0	0	115.3	P400 R404	P400-G402 PolarHBondContact O-N 3.29Å; G402-R404 PolarHBondContact O-N 2.71Å
403	G	43.1	Very low	49.5	Very low	72 Å²	72	104.5 Å²	104.5	74%	0.742	62%	0.616	S	S	*	*	S	Bend	trans	-77.5	98.6	178.8	0	0	0	0	0	112	G401 S405	G401-G403 VanDerWaalsContact C-N 3.3Å; G401-G403 PolarHBondContact O-N 3.27Å; G403-S405 PolarHBondContact O-N 2.93Å
404	R	52.8	Low	51.8	Low	156 Å²	156	100.8 Å²	100.8	59%	0.589	59%	0.591	S	S	*	*			trans	-39.4	131.1	174.5	-80.1	-177.4	174.3	157.8	-0.1	112	G402 E408 M409	G402-R404 PolarHBondContact O-N 2.71Å; R404-E408 WeakPolarHBondContact CA-OE2 3.31Å; R404-M409 HydrophobicContact CB-CG 3.85Å; R404-M409 HydrophobicContact CB-SD 3.9Å; R404-M409 HydrophobicContact CG-SD 4.48Å
405	S	64.8	Low	54.1	Low	51 Å²	51	98.7 Å²	98.7	36%	0.357	57%	0.571	S	S	.	*			trans	-57.7	150.4	-176.7	126.3	0	0	0	0	111.1	G403 E407 E408 M409	G403-S405 PolarHBondContact O-N 2.93Å; S405-E407 PolarHBondContact O-N 2.92Å; S405-E407 PolarHBondContact OG-N 3.04Å; S405-E408 PolarHBondContact N-OE2 3.02Å; S405-E408 PolarHBondContact O-N 2.97Å; S405-E408 VanDerWaalsContact O-N 3.1Å; S405-E408 PolarHBondContact OG-N 2.91Å; S405-M409 PolarHBondContact O-N 3.17Å
406	T	61.3	Low	56.7	Low	62 Å²	62	100.8 Å²	100.8	38%	0.38	57%	0.57	S	S	.	*	H	α-helix	trans	-59.9	-18.9	175.2	44.9	0	0	0	0	112.9	R410	T406-R410 VanDerWaalsContact O-CB 3.31Å; T406-R410 WeakPolarHBondContact O-CB 3.4Å; T406-R410 PolarHBondContact O-N 3.04Å
407	E	65.9	Low	58.8	Low	122 Å²	122	95.7 Å²	95.7	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-89.9	-33.5	175.4	-54.8	-150	129.4	0	0	112.9	S405 R410 K411	S405-E407 PolarHBondContact O-N 2.92Å; S405-E407 PolarHBondContact OG-N 3.04Å; E407-R410 WeakPolarHBondContact O-CB 3.48Å; E407-R410 PolarHBondContact O-N 3.14Å; E407-K411 WeakPolarHBondContact O-CG 3.44Å; E407-K411 PolarHBondContact O-N 2.95Å
408	E	71.7	Confident	61.4	Low	104 Å²	104	92.7 Å²	92.7	49%	0.486	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-46	173.2	-64.2	177.2	138.1	0	0	110.9	R404 S405 R410 K411 L412	R404-E408 WeakPolarHBondContact CA-OE2 3.31Å; S405-E408 PolarHBondContact N-OE2 3.02Å; S405-E408 PolarHBondContact O-N 2.97Å; S405-E408 VanDerWaalsContact O-N 3.1Å; S405-E408 PolarHBondContact OG-N 2.91Å; E408-R410 VanDerWaalsContact C-N 3.28Å; E408-R410 PolarHBondContact O-N 3.11Å; E408-K411 PolarHBondContact O-N 3.28Å; E408-L412 WeakPolarHBondContact O-CB 3.49Å; E408-L412 WeakPolarHBondContact O-CG 3.42Å; E408-L412 PolarHBondContact O-N 2.69Å
409	M	66.5	Low	64	Low	58 Å²	58	92.2 Å²	92.2	29%	0.286	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-38.5	173.8	-66.7	-67.3	-80.8	0	0	111.2	R404 S405 L412 F413	R404-M409 HydrophobicContact CB-CG 3.85Å; R404-M409 HydrophobicContact CB-SD 3.9Å; R404-M409 HydrophobicContact CG-SD 4.48Å; S405-M409 PolarHBondContact O-N 3.17Å; M409-L412 PolarHBondContact O-N 3.27Å; M409-L412 HydrophobicContact SD-CD1 4.32Å; M409-F413 HydrophobicContact CE-CE2 4.09Å; M409-F413 VanDerWaalsContact O-CD2 3.27Å; M409-F413 WeakPolarHBondContact O-CD2 3.34Å; M409-F413 PolarHBondContact O-N 2.87Å
410	R	66.7	Low	66.9	Low	113 Å²	113	90.6 Å²	90.6	43%	0.426	49%	0.488	S	S	.	.	H	α-helix	trans	-61.2	-46.6	174.3	166.3	171.4	-171.5	-157.4	1.4	112.4	H342 T406 E407 E408 I414	H342-R410 WeakPolarHBondContact NE2-CA 3.49Å; H342-R410 WeakPolarHBondContact NE2-CB 3.32Å; H342-R410 WeakPolarHBondContact NE2-CG 3.29Å; T406-R410 VanDerWaalsContact O-CB 3.31Å; T406-R410 WeakPolarHBondContact O-CB 3.4Å; T406-R410 PolarHBondContact O-N 3.04Å; E407-R410 WeakPolarHBondContact O-CB 3.48Å; E407-R410 PolarHBondContact O-N 3.14Å; E408-R410 VanDerWaalsContact C-N 3.28Å; E408-R410 PolarHBondContact O-N 3.11Å; R410-I414 HydrophobicContact CG-CD1 3.79Å; R410-I414 WeakPolarHBondContact O-CB 3.35Å; R410-I414 WeakPolarHBondContact O-CD1 3.41Å; R410-I414 VanDerWaalsContact O-CG1 3.29Å; R410-I414 WeakPolarHBondContact O-CG1 3.16Å; R410-I414 PolarHBondContact O-N 3.47Å; R410-I414 VanDerWaalsContact O-N 3.15Å
411	K	74.5	Confident	69.7	Low	141 Å²	141	85 Å²	85	61%	0.613	45%	0.451	S	S	*	.	H	α-helix	trans	-59.3	-54.1	174.4	-73.1	175.6	179.5	177.9	0	110.2	E407 E408 F413 I414 D415	E407-K411 WeakPolarHBondContact O-CG 3.44Å; E407-K411 PolarHBondContact O-N 2.95Å; E408-K411 PolarHBondContact O-N 3.28Å; K411-F413 VanDerWaalsContact C-N 3.34Å; K411-F413 PolarHBondContact O-N 2.74Å; K411-I414 PolarHBondContact O-N 2.69Å; K411-I414 VanDerWaalsContact O-N 3.1Å; K411-D415 WeakPolarHBondContact O-CB 3.39Å; K411-D415 VanDerWaalsContact O-CG 3.24Å; K411-D415 PolarHBondContact O-N 3.17Å; K411-D415 VanDerWaalsContact O-OD2 3.13Å
412	L	75	Confident	72.3	Confident	79 Å²	79	85 Å²	85	41%	0.414	44%	0.435	S	S	.	.	H	α-helix	trans	-52.3	-43.1	-179.6	-75.6	165.7	0	0	0	114.1	E408 M409 R416	E408-L412 WeakPolarHBondContact O-CB 3.49Å; E408-L412 WeakPolarHBondContact O-CG 3.42Å; E408-L412 PolarHBondContact O-N 2.69Å; M409-L412 PolarHBondContact O-N 3.27Å; M409-L412 HydrophobicContact SD-CD1 4.32Å; L412-R416 VanDerWaalsContact O-CB 3.26Å; L412-R416 WeakPolarHBondContact O-CB 3.37Å; L412-R416 PolarHBondContact O-N 2.89Å
413	F	71.8	Confident	75	Confident	57 Å²	57	85.8 Å²	85.8	25%	0.25	43%	0.425	C	S	.	.	H	α-helix	trans	-75.2	-37.6	178.1	-80	-71.2	0	0	0	113.6	V338 H342 M409 K411 R416 A417	V338-F413 HydrophobicContact CG1-CD1 4.33Å; H342-F413 HydrophobicContact CB-CB 4.22Å; M409-F413 HydrophobicContact CE-CE2 4.09Å; M409-F413 VanDerWaalsContact O-CD2 3.27Å; M409-F413 WeakPolarHBondContact O-CD2 3.34Å; M409-F413 PolarHBondContact O-N 2.87Å; K411-F413 VanDerWaalsContact C-N 3.34Å; K411-F413 PolarHBondContact O-N 2.74Å; F413-R416 PolarHBondContact O-N 2.94Å; F413-A417 PolarHBondContact O-N 2.98Å
414	I	75.1	Confident	77.4	Confident	49 Å²	49	82.8 Å²	82.8	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-42.9	174.9	-70.6	170.1	0	0	0	110.4	R410 K411 R416 A417 K418	R410-I414 HydrophobicContact CG-CD1 3.79Å; R410-I414 WeakPolarHBondContact O-CB 3.35Å; R410-I414 WeakPolarHBondContact O-CD1 3.41Å; R410-I414 VanDerWaalsContact O-CG1 3.29Å; R410-I414 WeakPolarHBondContact O-CG1 3.16Å; R410-I414 PolarHBondContact O-N 3.47Å; R410-I414 VanDerWaalsContact O-N 3.15Å; K411-I414 PolarHBondContact O-N 2.69Å; K411-I414 VanDerWaalsContact O-N 3.1Å; I414-R416 VanDerWaalsContact C-N 3.34Å; I414-A417 PolarHBondContact O-N 2.83Å; I414-K418 HydrophobicContact CG2-CD 4.24Å; I414-K418 WeakPolarHBondContact O-CG 3.25Å; I414-K418 PolarHBondContact O-N 3.02Å
415	D	81.4	Confident	79.4	Confident	79 Å²	79	79.4 Å²	79.4	42%	0.422	38%	0.379	S	S	.	.	H	α-helix	trans	-72.5	-29.4	179.6	-60.7	-31.8	0	0	0	111.3	K411 K418 K419	K411-D415 WeakPolarHBondContact O-CB 3.39Å; K411-D415 VanDerWaalsContact O-CG 3.24Å; K411-D415 PolarHBondContact O-N 3.17Å; K411-D415 VanDerWaalsContact O-OD2 3.13Å; D415-K418 IonicContact OD1-NZ 2.7Å; D415-K418 PolarHBondContact OD1-NZ 3.34Å; D415-K419 WeakPolarHBondContact O-CB 3.16Å; D415-K419 PolarHBondContact O-N 3.04Å
416	R	82.4	Confident	80.8	Confident	169 Å²	169	79.5 Å²	79.5	64%	0.638	38%	0.383	S	S	*	.	H	α-helix	trans	-65.2	-42.6	168.2	-164.6	177.7	-160.8	175.7	5.6	112.2	L412 F413 I414 K419 I420	L412-R416 VanDerWaalsContact O-CB 3.26Å; L412-R416 WeakPolarHBondContact O-CB 3.37Å; L412-R416 PolarHBondContact O-N 2.89Å; F413-R416 PolarHBondContact O-N 2.94Å; I414-R416 VanDerWaalsContact C-N 3.34Å; R416-K419 PolarHBondContact O-N 3.03Å; R416-I420 PolarHBondContact O-N 3.12Å
417	A	79.9	Confident	82.5	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.008	38%	0.382	C	S	.	.	H	α-helix	trans	-64.6	-48	175.8	0	0	0	0	0	111.5	M277 V338 F413 I414 K419 I420 D421	M277-A417 HydrophobicContact CE-CB 3.71Å; M277-A417 HydrophobicContact SD-CB 4.09Å; V338-A417 HydrophobicContact CG1-CB 4.35Å; F413-A417 PolarHBondContact O-N 2.98Å; I414-A417 PolarHBondContact O-N 2.83Å; A417-K419 VanDerWaalsContact C-N 3.27Å; A417-K419 PolarHBondContact O-N 3.17Å; A417-I420 WeakPolarHBondContact O-CB 3.36Å; A417-I420 PolarHBondContact O-N 3.23Å; A417-I420 VanDerWaalsContact O-N 3.07Å; A417-D421 PolarHBondContact O-N 2.91Å
418	K	84.9	Confident	83.9	Confident	104 Å²	104	74.1 Å²	74.1	45%	0.452	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-37.8	173.3	-70.2	171.4	-176.8	167.6	0	112.5	M277 I414 D415 I420 D421 T422	M277-K418 HydrophobicContact CE-CG 4.06Å; I414-K418 HydrophobicContact CG2-CD 4.24Å; I414-K418 WeakPolarHBondContact O-CG 3.25Å; I414-K418 PolarHBondContact O-N 3.02Å; D415-K418 IonicContact OD1-NZ 2.7Å; D415-K418 PolarHBondContact OD1-NZ 3.34Å; K418-I420 VanDerWaalsContact C-N 3.25Å; K418-I420 PolarHBondContact O-N 2.83Å; K418-D421 PolarHBondContact O-N 2.79Å; K418-T422 WeakPolarHBondContact O-CB 3.39Å; K418-T422 PolarHBondContact O-N 3.1Å; K418-T422 PolarHBondContact O-OG1 2.93Å
419	K	89.9	Confident	85.1	Confident	148 Å²	148	71 Å²	71	64%	0.643	35%	0.351	S	S	*	.	H	α-helix	trans	-64.7	-29.5	177.7	-172.9	171.4	-177	175.5	0	112.2	D415 R416 A417 V423	D415-K419 WeakPolarHBondContact O-CB 3.16Å; D415-K419 PolarHBondContact O-N 3.04Å; R416-K419 PolarHBondContact O-N 3.03Å; A417-K419 VanDerWaalsContact C-N 3.27Å; A417-K419 PolarHBondContact O-N 3.17Å; K419-V423 WeakPolarHBondContact O-CB 3.44Å; K419-V423 VanDerWaalsContact O-CG2 3.28Å; K419-V423 WeakPolarHBondContact O-CG2 3.28Å; K419-V423 PolarHBondContact O-N 3.35Å; K419-V423 VanDerWaalsContact O-N 3.07Å
420	I	89.8	Confident	86.6	Confident	52 Å²	52	73.8 Å²	73.8	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-59.5	169.7	-61.3	165.4	0	0	0	108.6	E331 V335 R416 A417 K418 T422 V423 S424	E331-I420 HydrophobicContact CG-CG2 4.14Å; V335-I420 HydrophobicContact CG2-CB 3.96Å; V335-I420 HydrophobicContact CG2-CD1 4.43Å; V335-I420 HydrophobicContact CG2-CG2 3.7Å; R416-I420 PolarHBondContact O-N 3.12Å; A417-I420 WeakPolarHBondContact O-CB 3.36Å; A417-I420 PolarHBondContact O-N 3.23Å; A417-I420 VanDerWaalsContact O-N 3.07Å; K418-I420 VanDerWaalsContact C-N 3.25Å; K418-I420 PolarHBondContact O-N 2.83Å; I420-T422 PolarHBondContact O-N 2.89Å; I420-T422 VanDerWaalsContact O-N 3.13Å; I420-V423 PolarHBondContact O-N 2.82Å; I420-S424 PolarHBondContact O-N 3.49Å; I420-S424 PolarHBondContact O-OG 3.23Å
421	D	90.8	Very high	88	Confident	9 Å²	9	70.7 Å²	70.7	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-49.3	-44.5	177.5	-70.4	-64.1	0	0	0	112.1	M277 R283 A417 K418 S424 R425	M277-D421 WeakPolarHBondContact CE-OD2 3.3Å; R283-D421 IonicContact CZ-OD1 3.4Å; R283-D421 VanDerWaalsContact CZ-OD1 3.22Å; R283-D421 IonicContact NH1-OD1 2.82Å; R283-D421 PolarHBondContact NH1-OD1 3.06Å; R283-D421 IonicContact NH1-OD2 3.62Å; R283-D421 IonicContact NH2-OD1 3.56Å; R283-D421 PolarHBondContact NH2-OD1 3.1Å; A417-D421 PolarHBondContact O-N 2.91Å; K418-D421 PolarHBondContact O-N 2.79Å; D421-S424 PolarHBondContact O-N 2.63Å; D421-R425 VanDerWaalsContact O-CG 3.25Å; D421-R425 WeakPolarHBondContact O-CG 3.45Å; D421-R425 PolarHBondContact O-N 2.97Å; D421-R425 VanDerWaalsContact O-N 3.11Å
422	T	91.8	Very high	89.1	Confident	86 Å²	86	64.3 Å²	64.3	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-39.8	179.4	-59.2	0	0	0	0	113.1	K418 I420	K418-T422 WeakPolarHBondContact O-CB 3.39Å; K418-T422 PolarHBondContact O-N 3.1Å; K418-T422 PolarHBondContact O-OG1 2.93Å; I420-T422 PolarHBondContact O-N 2.89Å; I420-T422 VanDerWaalsContact O-N 3.13Å
423	V	94.4	Very high	90.2	Very high	90 Å²	90	65.3 Å²	65.3	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-73.3	-41.5	176	170.7	0	0	0	0	110.4	K419 I420 R425 A426 G427	K419-V423 WeakPolarHBondContact O-CB 3.44Å; K419-V423 VanDerWaalsContact O-CG2 3.28Å; K419-V423 WeakPolarHBondContact O-CG2 3.28Å; K419-V423 PolarHBondContact O-N 3.35Å; K419-V423 VanDerWaalsContact O-N 3.07Å; I420-V423 PolarHBondContact O-N 2.82Å; V423-R425 VanDerWaalsContact C-N 3.3Å; V423-R425 PolarHBondContact O-N 3.1Å; V423-A426 PolarHBondContact O-N 3.36Å; V423-A426 VanDerWaalsContact O-N 3.13Å; V423-G427 PolarHBondContact O-N 2.71Å
424	S	94.8	Very high	91.4	Very high	8 Å²	8	69.6 Å²	69.6	6%	0.056	36%	0.362	C	S	.	.	H	α-helix	trans	-55.3	-43.7	178.3	-54.9	0	0	0	0	112.3	E331 I420 D421 A426 G427 F428	E331-S424 VanDerWaalsContact CG-OG 3.22Å; E331-S424 WeakPolarHBondContact CG-OG 3.47Å; E331-S424 VanDerWaalsContact OE1-CB 3.31Å; E331-S424 WeakPolarHBondContact OE1-CB 3.49Å; E331-S424 PolarHBondContact OE1-OG 3.02Å; I420-S424 PolarHBondContact O-N 3.49Å; I420-S424 PolarHBondContact O-OG 3.23Å; D421-S424 PolarHBondContact O-N 2.63Å; S424-A426 PolarHBondContact O-N 3.4Å; S424-A426 VanDerWaalsContact O-N 3.15Å; S424-G427 PolarHBondContact O-N 2.74Å; S424-F428 PolarHBondContact O-N 3.29Å; S424-F428 VanDerWaalsContact O-N 3.1Å
425	R	94.6	Very high	92.4	Very high	86 Å²	86	68.7 Å²	68.7	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-55.8	-28.4	178.1	-74.1	168.4	-163.2	-176.2	4.4	114.8	F273 W274 D421 V423 P429	F273-R425 HydrophobicContact CB-CG 3.72Å; F273-R425 PolarHBondContact O-NE 2.85Å; F273-R425 PolarHBondContact O-NH2 3.2Å; W274-R425 HydrophobicContact CZ2-CG 4.2Å; D421-R425 VanDerWaalsContact O-CG 3.25Å; D421-R425 WeakPolarHBondContact O-CG 3.45Å; D421-R425 PolarHBondContact O-N 2.97Å; D421-R425 VanDerWaalsContact O-N 3.11Å; V423-R425 VanDerWaalsContact C-N 3.3Å; V423-R425 PolarHBondContact O-N 3.1Å; R425-P429 WeakPolarHBondContact O-CD 3.41Å; R425-P429 WeakPolarHBondContact O-CG 3.32Å
426	A	94.6	Very high	93.1	Very high	52 Å²	52	65.9 Å²	65.9	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-102.6	-42.6	177.5	0	0	0	0	0	112.1	V423 S424 P429 L430	V423-A426 PolarHBondContact O-N 3.36Å; V423-A426 VanDerWaalsContact O-N 3.13Å; S424-A426 PolarHBondContact O-N 3.4Å; S424-A426 VanDerWaalsContact O-N 3.15Å; A426-P429 WeakPolarHBondContact O-CD 3.19Å; A426-L430 WeakPolarHBondContact O-CB 3.28Å; A426-L430 WeakPolarHBondContact O-CD1 3.32Å; A426-L430 VanDerWaalsContact O-CG 3.24Å; A426-L430 WeakPolarHBondContact O-CG 3.48Å; A426-L430 PolarHBondContact O-N 2.97Å; A426-L430 VanDerWaalsContact O-N 3.14Å
427	G	95.9	Very high	93.8	Very high	36 Å²	36	62.6 Å²	62.6	37%	0.371	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-43.7	-175.5	0	0	0	0	0	113.7	V423 S424 A431	V423-G427 PolarHBondContact O-N 2.71Å; S424-G427 PolarHBondContact O-N 2.74Å; G427-A431 VanDerWaalsContact O-CB 3.25Å; G427-A431 WeakPolarHBondContact O-CB 3.39Å; G427-A431 PolarHBondContact O-N 2.62Å
428	F	96.8	Very high	94.6	Very high	35 Å²	35	68.6 Å²	68.6	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-51	-179.4	-82.2	-111.2	0	0	0	112.2	F273 F324 A328 E331 S424 L430 A431 F432	F273-F428 HydrophobicContact CE1-CE2 4.43Å; F273-F428 HydrophobicContact CE2-CB 3.86Å; F273-F428 HydrophobicContact CE2-CD1 4.15Å; F273-F428 AromaticContact CE2-CD2 3.96Å; F273-F428 HydrophobicContact CE2-CD2 3.96Å; F273-F428 AromaticContact CE2-CG 3.75Å; F273-F428 HydrophobicContact CE2-CG 3.75Å; F273-F428 HydrophobicContact CZ-CB 4.33Å; F273-F428 AromaticContact CZ-CD1 3.8Å; F273-F428 HydrophobicContact CZ-CD1 3.8Å; F273-F428 AromaticContact CZ-CD2 3.73Å; F273-F428 HydrophobicContact CZ-CD2 3.73Å; F273-F428 AromaticContact CZ-CE1 3.92Å; F273-F428 HydrophobicContact CZ-CE1 3.92Å; F273-F428 AromaticContact CZ-CE2 3.85Å; F273-F428 HydrophobicContact CZ-CE2 3.85Å; F273-F428 AromaticContact CZ-CG 3.7Å; F273-F428 HydrophobicContact CZ-CG 3.7Å; F273-F428 AromaticContact CZ-CZ 3.95Å; F273-F428 HydrophobicContact CZ-CZ 3.95Å; F324-F428 HydrophobicContact CD1-CD1 4.05Å; A328-F428 HydrophobicContact CB-CE1 4.15Å; E331-F428 HydrophobicContact CB-CZ 4.4Å; S424-F428 PolarHBondContact O-N 3.29Å; S424-F428 VanDerWaalsContact O-N 3.1Å; F428-L430 PolarHBondContact O-N 2.88Å; F428-A431 PolarHBondContact O-N 3.02Å; F428-F432 WeakPolarHBondContact O-CB 3.41Å; F428-F432 PolarHBondContact O-N 2.93Å
429	P	96.8	Very high	95.1	Very high	39 Å²	39	63.9 Å²	63.9	25%	0.253	34%	0.341	S	S	.	.	H	α-helix	trans	-61.3	-41.3	176.4	-25.8	35.3	0	0	0	114	W270 R425 A426 F432 L433	W270-P429 HydrophobicContact CD2-CG 4.02Å; W270-P429 HydrophobicContact CE3-CB 4.25Å; W270-P429 HydrophobicContact CE3-CG 3.74Å; W270-P429 HydrophobicContact CH2-CB 3.96Å; W270-P429 HydrophobicContact CH2-CG 4.26Å; W270-P429 HydrophobicContact CZ2-CB 4.46Å; W270-P429 HydrophobicContact CZ3-CB 3.83Å; W270-P429 HydrophobicContact CZ3-CG 3.87Å; R425-P429 WeakPolarHBondContact O-CD 3.41Å; R425-P429 WeakPolarHBondContact O-CG 3.32Å; A426-P429 WeakPolarHBondContact O-CD 3.19Å; P429-F432 PolarHBondContact O-N 2.94Å; P429-L433 VanDerWaalsContact O-CB 3.32Å; P429-L433 WeakPolarHBondContact O-CB 3.48Å; P429-L433 PolarHBondContact O-N 2.82Å
430	L	96.6	Very high	95.3	Very high	117 Å²	117	60.6 Å²	60.6	61%	0.613	32%	0.324	S	S	*	.	H	α-helix	trans	-67.3	-42.5	-179.8	-71.2	171.7	0	0	0	112.2	A426 F428 L433 F434	A426-L430 WeakPolarHBondContact O-CB 3.28Å; A426-L430 WeakPolarHBondContact O-CD1 3.32Å; A426-L430 VanDerWaalsContact O-CG 3.24Å; A426-L430 WeakPolarHBondContact O-CG 3.48Å; A426-L430 PolarHBondContact O-N 2.97Å; A426-L430 VanDerWaalsContact O-N 3.14Å; F428-L430 PolarHBondContact O-N 2.88Å; L430-L433 PolarHBondContact O-N 3.01Å; L430-F434 PolarHBondContact O-N 3.41Å
431	A	97.3	Very high	95.5	Very high	48 Å²	48	62 Å²	62	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-66	-38.1	175.8	0	0	0	0	0	112	F324 G427 F428 F434 F435	F324-A431 HydrophobicContact CE1-CB 3.97Å; F324-A431 HydrophobicContact CZ-CB 3.86Å; G427-A431 VanDerWaalsContact O-CB 3.25Å; G427-A431 WeakPolarHBondContact O-CB 3.39Å; G427-A431 PolarHBondContact O-N 2.62Å; F428-A431 PolarHBondContact O-N 3.02Å; A431-F434 PolarHBondContact O-N 2.89Å; A431-F435 PolarHBondContact O-N 2.58Å
432	F	97.4	Very high	95.6	Very high	7 Å²	7	64.8 Å²	64.8	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-70.5	-35.4	176.7	-167.9	-112.3	0	0	0	112.5	L263 V266 W270 W317 F324 F428 P429 F435 N436	L263-F432 HydrophobicContact CD1-CE1 4.24Å; L263-F432 HydrophobicContact CG-CE1 4.26Å; V266-F432 HydrophobicContact CB-CE1 4.38Å; V266-F432 HydrophobicContact CB-CZ 4.21Å; V266-F432 HydrophobicContact CG1-CD1 4.06Å; V266-F432 HydrophobicContact CG1-CD2 4.08Å; V266-F432 HydrophobicContact CG1-CE1 3.99Å; V266-F432 HydrophobicContact CG1-CE2 4.03Å; V266-F432 HydrophobicContact CG1-CG 4.1Å; V266-F432 HydrophobicContact CG1-CZ 3.98Å; V266-F432 HydrophobicContact CG2-CE2 4.21Å; V266-F432 HydrophobicContact CG2-CZ 4.09Å; W270-F432 HydrophobicContact CH2-CB 4.27Å; W270-F432 AromaticContact CH2-CD1 3.92Å; W270-F432 HydrophobicContact CH2-CD1 3.92Å; W270-F432 HydrophobicContact CH2-CG 4.44Å; W270-F432 HydrophobicContact CZ2-CB 3.76Å; W270-F432 AromaticContact CZ2-CD1 3.8Å; W270-F432 HydrophobicContact CZ2-CD1 3.8Å; W270-F432 AromaticContact CZ2-CG 3.95Å; W270-F432 HydrophobicContact CZ2-CG 3.95Å; W317-F432 HydrophobicContact CH2-CZ 4.27Å; W317-F432 HydrophobicContact CZ2-CZ 4.49Å; F324-F432 HydrophobicContact CD1-CB 4.21Å; F324-F432 HydrophobicContact CD1-CD2 4.29Å; F324-F432 AromaticContact CD2-CD2 3.81Å; F324-F432 HydrophobicContact CD2-CD2 3.81Å; F324-F432 HydrophobicContact CD2-CE2 4.44Å; F324-F432 HydrophobicContact CE1-CB 3.79Å; F324-F432 HydrophobicContact CE1-CD2 4.36Å; F324-F432 AromaticContact CE2-CD2 3.89Å; F324-F432 HydrophobicContact CE2-CD2 3.89Å; F324-F432 HydrophobicContact CG-CD2 4.02Å; F324-F432 HydrophobicContact CZ-CB 3.97Å; F324-F432 HydrophobicContact CZ-CD2 4.17Å; F428-F432 WeakPolarHBondContact O-CB 3.41Å; F428-F432 PolarHBondContact O-N 2.93Å; P429-F432 PolarHBondContact O-N 2.94Å; F432-F435 HydrophobicContact CD2-CD1 4.07Å; F432-F435 AromaticContact CE2-CD1 3.92Å; F432-F435 HydrophobicContact CE2-CD1 3.92Å; F432-F435 HydrophobicContact CE2-CE1 4.25Å; F432-F435 PolarHBondContact O-N 2.68Å; F432-N436 WeakPolarHBondContact CD1-ND2 3.31Å; F432-N436 WeakPolarHBondContact CE1-ND2 3.24Å; F432-N436 WeakPolarHBondContact CZ-ND2 3.45Å; F432-N436 PolarHBondContact O-N 3.41Å; F432-N436 PolarHBondContact O-ND2 2.59Å
433	L	96.9	Very high	95.6	Very high	99 Å²	99	61.8 Å²	61.8	52%	0.518	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-44.8	172.3	178.8	61.5	0	0	0	111.4	P429 L430 F435 N436 I437	P429-L433 VanDerWaalsContact O-CB 3.32Å; P429-L433 WeakPolarHBondContact O-CB 3.48Å; P429-L433 PolarHBondContact O-N 2.82Å; L430-L433 PolarHBondContact O-N 3.01Å; L433-F435 PolarHBondContact O-N 2.74Å; L433-N436 WeakPolarHBondContact O-CB 3.3Å; L433-N436 PolarHBondContact O-N 2.74Å; L433-I437 HydrophobicContact CD1-CD1 4.3Å; L433-I437 HydrophobicContact CG-CD1 4.17Å; L433-I437 WeakPolarHBondContact O-CG1 3.03Å; L433-I437 PolarHBondContact O-N 3.29Å
434	F	97.1	Very high	95.3	Very high	148 Å²	148	65.2 Å²	65.2	65%	0.649	34%	0.336	S	S	*	.	H	α-helix	trans	-60	-45.4	174.9	-179.4	-95.1	0	0	0	111.8	L430 A431 N436 I437 F438	L430-F434 PolarHBondContact O-N 3.41Å; A431-F434 PolarHBondContact O-N 2.89Å; F434-N436 PolarHBondContact O-N 3Å; F434-I437 PolarHBondContact O-N 2.85Å; F434-F438 PolarHBondContact O-N 3.06Å
435	F	97.1	Very high	94.9	Very high	29 Å²	29	69.2 Å²	69.2	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-57.3	-45.5	173.1	165.8	-109.1	0	0	0	112.3	W317 V320 A431 F432 L433 I437 F438 Y439	W317-F435 HydrophobicContact CD2-CE1 4.48Å; W317-F435 AromaticContact CE3-CE1 3.71Å; W317-F435 HydrophobicContact CE3-CE1 3.71Å; W317-F435 HydrophobicContact CE3-CZ 4.04Å; W317-F435 AromaticContact CZ3-CE1 3.89Å; W317-F435 HydrophobicContact CZ3-CE1 3.89Å; V320-F435 HydrophobicContact CB-CD2 4.47Å; V320-F435 HydrophobicContact CB-CE1 4.04Å; V320-F435 HydrophobicContact CB-CE2 3.95Å; V320-F435 HydrophobicContact CB-CZ 3.71Å; V320-F435 HydrophobicContact CG1-CD1 3.73Å; V320-F435 HydrophobicContact CG1-CD2 3.84Å; V320-F435 HydrophobicContact CG1-CE1 3.69Å; V320-F435 HydrophobicContact CG1-CE2 3.81Å; V320-F435 HydrophobicContact CG1-CG 3.8Å; V320-F435 HydrophobicContact CG1-CZ 3.74Å; V320-F435 HydrophobicContact CG2-CD2 4.4Å; V320-F435 HydrophobicContact CG2-CE2 3.82Å; V320-F435 HydrophobicContact CG2-CZ 4.04Å; A431-F435 PolarHBondContact O-N 2.58Å; F432-F435 HydrophobicContact CD2-CD1 4.07Å; F432-F435 AromaticContact CE2-CD1 3.92Å; F432-F435 HydrophobicContact CE2-CD1 3.92Å; F432-F435 HydrophobicContact CE2-CE1 4.25Å; F432-F435 PolarHBondContact O-N 2.68Å; L433-F435 PolarHBondContact O-N 2.74Å; F435-I437 PolarHBondContact O-N 2.89Å; F435-F438 PolarHBondContact O-N 3.2Å; F435-Y439 HydrophobicContact CE2-CD2 4.09Å; F435-Y439 HydrophobicContact CE2-CG 4.48Å; F435-Y439 AromaticContact CZ-CD2 3.88Å; F435-Y439 HydrophobicContact CZ-CD2 3.88Å; F435-Y439 HydrophobicContact CZ-CG 4.23Å; F435-Y439 VanDerWaalsContact O-CB 3.25Å; F435-Y439 WeakPolarHBondContact O-CB 3.41Å; F435-Y439 PolarHBondContact O-N 3.43Å
436	N	96.7	Very high	94.2	Very high	21 Å²	21	67.3 Å²	67.3	11%	0.112	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-48.5	177.9	-90.5	-98.2	0	0	0	111.8	W317 F432 L433 F434 F438 Y439 W440	W317-N436 VanDerWaalsContact CH2-OD1 3.26Å; W317-N436 WeakPolarHBondContact CH2-OD1 3.33Å; W317-N436 WeakPolarHBondContact CZ3-OD1 3.39Å; F432-N436 WeakPolarHBondContact CD1-ND2 3.31Å; F432-N436 WeakPolarHBondContact CE1-ND2 3.24Å; F432-N436 WeakPolarHBondContact CZ-ND2 3.45Å; F432-N436 PolarHBondContact O-N 3.41Å; F432-N436 PolarHBondContact O-ND2 2.59Å; L433-N436 WeakPolarHBondContact O-CB 3.3Å; L433-N436 PolarHBondContact O-N 2.74Å; F434-N436 PolarHBondContact O-N 3Å; N436-F438 VanDerWaalsContact C-N 3.35Å; N436-F438 PolarHBondContact O-N 3.2Å; N436-Y439 PolarHBondContact O-N 2.91Å; N436-W440 WeakPolarHBondContact O-CB 3.33Å; N436-W440 PolarHBondContact O-N 3Å
437	I	96	Very high	93.4	Very high	100 Å²	100	68.2 Å²	68.2	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-48.6	178.7	-66.4	165.6	0	0	0	110.1	L433 F434 F435 V441	L433-I437 HydrophobicContact CD1-CD1 4.3Å; L433-I437 HydrophobicContact CG-CD1 4.17Å; L433-I437 WeakPolarHBondContact O-CG1 3.03Å; L433-I437 PolarHBondContact O-N 3.29Å; F434-I437 PolarHBondContact O-N 2.85Å; F435-I437 PolarHBondContact O-N 2.89Å; I437-V441 HydrophobicContact CG2-CG2 4.41Å; I437-V441 VanDerWaalsContact O-CB 3.31Å; I437-V441 WeakPolarHBondContact O-CB 3.08Å; I437-V441 VanDerWaalsContact O-CG2 3.22Å; I437-V441 WeakPolarHBondContact O-CG2 3.43Å; I437-V441 PolarHBondContact O-N 2.96Å
438	F	96.2	Very high	92.6	Very high	126 Å²	126	72.2 Å²	72.2	55%	0.553	35%	0.353	S	S	*	.	H	α-helix	trans	-62.6	-46.1	179.9	-171	-95.4	0	0	0	112.3	F434 F435 N436 L442	F434-F438 PolarHBondContact O-N 3.06Å; F435-F438 PolarHBondContact O-N 3.2Å; N436-F438 VanDerWaalsContact C-N 3.35Å; N436-F438 PolarHBondContact O-N 3.2Å; F438-L442 HydrophobicContact CE1-CD2 4Å; F438-L442 WeakPolarHBondContact O-CB 3.23Å; F438-L442 PolarHBondContact O-N 3.17Å
439	Y	96.2	Very high	91.7	Very high	5 Å²	5	74.9 Å²	74.9	2%	0.02	37%	0.366	C	S	.	.	H	α-helix	trans	-59.7	-52.5	179.2	-177.9	-88.3	0	0	0	112.1	M178 Y259 A313 W317 F435 N436 L442 Y443	M178-Y439 HydrophobicContact CE-CE1 3.9Å; Y259-Y439 AromaticContact CE1-CE1 3.72Å; Y259-Y439 HydrophobicContact CE1-CE1 3.72Å; Y259-Y439 PolarHBondContact OH-OH 2.81Å; A313-Y439 VanDerWaalsContact C-OH 3.3Å; A313-Y439 WeakPolarHBondContact O-CE2 3.3Å; A313-Y439 PolarHBondContact O-OH 3.47Å; W317-Y439 HydrophobicContact CB-CE2 3.91Å; W317-Y439 AromaticContact CE3-CD1 3.95Å; W317-Y439 HydrophobicContact CE3-CD1 3.95Å; W317-Y439 HydrophobicContact CE3-CD2 4.45Å; W317-Y439 AromaticContact CE3-CE1 3.99Å; W317-Y439 HydrophobicContact CE3-CE1 3.99Å; W317-Y439 HydrophobicContact CE3-CE2 4.47Å; W317-Y439 HydrophobicContact CE3-CG 4.2Å; W317-Y439 HydrophobicContact CZ3-CD1 4.35Å; F435-Y439 HydrophobicContact CE2-CD2 4.09Å; F435-Y439 HydrophobicContact CE2-CG 4.48Å; F435-Y439 AromaticContact CZ-CD2 3.88Å; F435-Y439 HydrophobicContact CZ-CD2 3.88Å; F435-Y439 HydrophobicContact CZ-CG 4.23Å; F435-Y439 VanDerWaalsContact O-CB 3.25Å; F435-Y439 WeakPolarHBondContact O-CB 3.41Å; F435-Y439 PolarHBondContact O-N 3.43Å; N436-Y439 PolarHBondContact O-N 2.91Å; Y439-L442 PolarHBondContact O-N 3.18Å; Y439-Y443 HydrophobicContact CD1-CD2 4.31Å; Y439-Y443 AromaticContact CD2-CD2 3.93Å; Y439-Y443 HydrophobicContact CD2-CD2 3.93Å; Y439-Y443 AromaticContact CD2-CE2 3.81Å; Y439-Y443 HydrophobicContact CD2-CE2 3.81Å; Y439-Y443 HydrophobicContact CE1-CD2 4.12Å; Y439-Y443 AromaticContact CE2-CD2 3.74Å; Y439-Y443 HydrophobicContact CE2-CD2 3.74Å; Y439-Y443 AromaticContact CE2-CE2 3.5Å; Y439-Y443 HydrophobicContact CE2-CE2 3.5Å; Y439-Y443 HydrophobicContact CG-CD2 4.21Å; Y439-Y443 AromaticContact CZ-CD2 3.83Å; Y439-Y443 AromaticContact CZ-CE2 3.99Å; Y439-Y443 WeakPolarHBondContact O-CD2 3.46Å; Y439-Y443 PolarHBondContact O-N 2.92Å; Y439-Y443 VanDerWaalsContact O-N 3.09Å
440	W	94.9	Very high	90.5	Very high	80 Å²	80	75.8 Å²	75.8	30%	0.303	37%	0.369	S	S	.	.	H	α-helix	trans	-69.8	-34.9	-176.8	-71.1	117.3	0	0	0	112.9	M178 M251 L255 Y259 N436 K444	M178-W440 HydrophobicContact CE-CZ3 4.27Å; M178-W440 HydrophobicContact SD-CE3 4.14Å; M178-W440 HydrophobicContact SD-CZ3 3.72Å; M251-W440 HydrophobicContact CE-CH2 3.66Å; M251-W440 HydrophobicContact CE-CZ3 3.76Å; L255-W440 HydrophobicContact CD2-CH2 3.68Å; L255-W440 HydrophobicContact CD2-CZ2 4.15Å; Y259-W440 AromaticContact CD1-CH2 3.72Å; Y259-W440 HydrophobicContact CD1-CH2 3.72Å; Y259-W440 AromaticContact CD1-CZ2 3.5Å; Y259-W440 HydrophobicContact CD1-CZ2 3.5Å; Y259-W440 HydrophobicContact CD2-CH2 4.32Å; Y259-W440 AromaticContact CE1-CH2 3.69Å; Y259-W440 HydrophobicContact CE1-CH2 3.69Å; Y259-W440 AromaticContact CE1-CZ2 3.8Å; Y259-W440 HydrophobicContact CE1-CZ2 3.8Å; Y259-W440 HydrophobicContact CE2-CH2 4.3Å; Y259-W440 HydrophobicContact CG-CH2 4.05Å; Y259-W440 HydrophobicContact CG-CZ2 4.04Å; Y259-W440 AromaticContact CZ-CH2 4Å; N436-W440 WeakPolarHBondContact O-CB 3.33Å; N436-W440 PolarHBondContact O-N 3Å; W440-K444 WeakPolarHBondContact O-CB 3.47Å; W440-K444 PolarHBondContact O-N 3.36Å; W440-K444 VanDerWaalsContact O-N 3.17Å
441	V	93.9	Very high	89.1	Confident	80 Å²	80	73.2 Å²	73.2	49%	0.485	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-48.7	174.5	170.9	0	0	0	0	110.8	I437 K444 I445	I437-V441 HydrophobicContact CG2-CG2 4.41Å; I437-V441 VanDerWaalsContact O-CB 3.31Å; I437-V441 WeakPolarHBondContact O-CB 3.08Å; I437-V441 VanDerWaalsContact O-CG2 3.22Å; I437-V441 WeakPolarHBondContact O-CG2 3.43Å; I437-V441 PolarHBondContact O-N 2.96Å; V441-K444 PolarHBondContact O-N 3.25Å; V441-I445 HydrophobicContact CG1-CD1 3.7Å; V441-I445 WeakPolarHBondContact O-CG1 3.45Å; V441-I445 PolarHBondContact O-N 2.71Å
442	L	92.7	Very high	87.5	Confident	69 Å²	69	77 Å²	77	36%	0.361	37%	0.367	S	S	.	.	H	α-helix	trans	-58.7	-52.5	-178.6	-179.8	64.2	0	0	0	111.8	F438 Y439 K444 I445 L446	F438-L442 HydrophobicContact CE1-CD2 4Å; F438-L442 WeakPolarHBondContact O-CB 3.23Å; F438-L442 PolarHBondContact O-N 3.17Å; Y439-L442 PolarHBondContact O-N 3.18Å; L442-K444 VanDerWaalsContact C-N 3.34Å; L442-K444 PolarHBondContact O-N 3.12Å; L442-I445 PolarHBondContact O-N 2.83Å; L442-L446 HydrophobicContact CD1-CD1 4.25Å; L442-L446 HydrophobicContact CD1-CG 4.45Å; L442-L446 HydrophobicContact CG-CD1 4.04Å; L442-L446 WeakPolarHBondContact O-CG 3.23Å; L442-L446 PolarHBondContact O-N 3.43Å
443	Y	90.9	Very high	85.5	Confident	23 Å²	23	82 Å²	82	9%	0.09	39%	0.389	C	S	.	.	H	α-helix	trans	-72.1	-25	-178	-76.4	-66.7	0	0	0	113.9	N175 M178 A313 Y439 L446 R447	N175-Y443 WeakPolarHBondContact OD1-CE1 3.26Å; M178-Y443 VanDerWaalsContact CE-CB 3.42Å; M178-Y443 HydrophobicContact CE-CD1 4.4Å; M178-Y443 HydrophobicContact CE-CD2 4.08Å; M178-Y443 HydrophobicContact CE-CG 3.71Å; A313-Y443 HydrophobicContact CB-CD1 3.87Å; A313-Y443 HydrophobicContact CB-CD2 4.2Å; A313-Y443 HydrophobicContact CB-CE1 3.42Å; A313-Y443 VanDerWaalsContact CB-CE1 3.42Å; A313-Y443 HydrophobicContact CB-CE2 3.76Å; A313-Y443 HydrophobicContact CB-CG 4.25Å; Y439-Y443 HydrophobicContact CD1-CD2 4.31Å; Y439-Y443 AromaticContact CD2-CD2 3.93Å; Y439-Y443 HydrophobicContact CD2-CD2 3.93Å; Y439-Y443 AromaticContact CD2-CE2 3.81Å; Y439-Y443 HydrophobicContact CD2-CE2 3.81Å; Y439-Y443 HydrophobicContact CE1-CD2 4.12Å; Y439-Y443 AromaticContact CE2-CD2 3.74Å; Y439-Y443 HydrophobicContact CE2-CD2 3.74Å; Y439-Y443 AromaticContact CE2-CE2 3.5Å; Y439-Y443 HydrophobicContact CE2-CE2 3.5Å; Y439-Y443 HydrophobicContact CG-CD2 4.21Å; Y439-Y443 AromaticContact CZ-CD2 3.83Å; Y439-Y443 AromaticContact CZ-CE2 3.99Å; Y439-Y443 WeakPolarHBondContact O-CD2 3.46Å; Y439-Y443 PolarHBondContact O-N 2.92Å; Y439-Y443 VanDerWaalsContact O-N 3.09Å; Y443-L446 HydrophobicContact CD1-CD1 3.87Å; Y443-L446 HydrophobicContact CE1-CD1 3.92Å; Y443-R447 VanDerWaalsContact O-CB 3.3Å; Y443-R447 WeakPolarHBondContact O-CB 3.3Å; Y443-R447 PolarHBondContact O-N 2.88Å
444	K	87.7	Confident	82.9	Confident	162 Å²	162	84.5 Å²	84.5	70%	0.704	41%	0.411	S	S	*	.	H	α-helix	trans	-69.6	-37.8	170.1	-173.4	178.8	178	-175.7	0	112	W440 V441 L442 H448	W440-K444 WeakPolarHBondContact O-CB 3.47Å; W440-K444 PolarHBondContact O-N 3.36Å; W440-K444 VanDerWaalsContact O-N 3.17Å; V441-K444 PolarHBondContact O-N 3.25Å; L442-K444 VanDerWaalsContact C-N 3.34Å; L442-K444 PolarHBondContact O-N 3.12Å; K444-H448 PolarHBondContact O-N 2.55Å; K444-H448 VanDerWaalsContact O-N 3.1Å
445	I	86.1	Confident	82.2	Confident	91 Å²	91	81.4 Å²	81.4	47%	0.467	40%	0.399	S	S	.	.	H	α-helix	trans	-68.4	-47.4	174.8	-67.7	167.3	0	0	0	110.3	V441 L442 R447 H448 E449	V441-I445 HydrophobicContact CG1-CD1 3.7Å; V441-I445 WeakPolarHBondContact O-CG1 3.45Å; V441-I445 PolarHBondContact O-N 2.71Å; L442-I445 PolarHBondContact O-N 2.83Å; I445-R447 PolarHBondContact O-N 2.95Å; I445-H448 WeakPolarHBondContact O-CA 3.41Å; I445-H448 WeakPolarHBondContact O-CB 3.43Å; I445-H448 PolarHBondContact O-N 3.07Å; I445-E449 PolarHBondContact O-N 3.35Å
446	L	80.1	Confident	81.4	Confident	47 Å²	47	84.1 Å²	84.1	25%	0.246	41%	0.414	C	S	.	.	H	α-helix	trans	-58.2	-47	177.2	-70.2	170.4	0	0	0	111.9	L442 Y443 H448 E449 D450	L442-L446 HydrophobicContact CD1-CD1 4.25Å; L442-L446 HydrophobicContact CD1-CG 4.45Å; L442-L446 HydrophobicContact CG-CD1 4.04Å; L442-L446 WeakPolarHBondContact O-CG 3.23Å; L442-L446 PolarHBondContact O-N 3.43Å; Y443-L446 HydrophobicContact CD1-CD1 3.87Å; Y443-L446 HydrophobicContact CE1-CD1 3.92Å; L446-H448 VanDerWaalsContact C-N 3.27Å; L446-H448 PolarHBondContact O-N 3.42Å; L446-E449 PolarHBondContact O-N 3.42Å; L446-E449 VanDerWaalsContact O-N 3.14Å; L446-D450 WeakPolarHBondContact O-CB 3.46Å; L446-D450 PolarHBondContact O-N 3.23Å
447	R	78.8	Confident	80.5	Confident	70 Å²	70	87.6 Å²	87.6	26%	0.264	43%	0.43	S	S	.	.	H	α-helix	trans	-59.3	-36.1	173.7	176.7	174.7	168.2	178.4	-1.7	112.6	E248 Y443 I445 V451	E248-R447 IonicContact OE1-CZ 3.55Å; E248-R447 IonicContact OE1-NE 2.76Å; E248-R447 PolarHBondContact OE1-NE 3.3Å; E248-R447 IonicContact OE1-NH2 3.24Å; E248-R447 PolarHBondContact OE1-NH2 2.81Å; Y443-R447 VanDerWaalsContact O-CB 3.3Å; Y443-R447 WeakPolarHBondContact O-CB 3.3Å; Y443-R447 PolarHBondContact O-N 2.88Å; I445-R447 PolarHBondContact O-N 2.95Å; R447-V451 VanDerWaalsContact O-CG2 3.29Å; R447-V451 WeakPolarHBondContact O-CG2 3.23Å; R447-V451 PolarHBondContact O-N 3.48Å
448	H	77.9	Confident	79.6	Confident	120 Å²	120	86.9 Å²	86.9	56%	0.556	43%	0.426	S	S	*	.	H	α-helix	trans	-66.8	-44.1	174.9	-170.5	-64.9	0	0	0	111.3	K444 I445 L446 V451 H452	K444-H448 PolarHBondContact O-N 2.55Å; K444-H448 VanDerWaalsContact O-N 3.1Å; I445-H448 WeakPolarHBondContact O-CA 3.41Å; I445-H448 WeakPolarHBondContact O-CB 3.43Å; I445-H448 PolarHBondContact O-N 3.07Å; L446-H448 VanDerWaalsContact C-N 3.27Å; L446-H448 PolarHBondContact O-N 3.42Å; H448-V451 PolarHBondContact O-N 3.03Å; H448-H452 AromaticContact CE1-CE1 3.19Å; H448-H452 PolarHBondContact CE1-CE1 3.48Å; H448-H452 AromaticContact CE1-ND1 3.46Å; H448-H452 PolarHBondContact CE1-ND1 3.5Å; H448-H452 AromaticContact CE1-NE2 3.73Å; H448-H452 AromaticContact ND1-CE1 3.59Å; H448-H452 AromaticContact ND1-ND1 3.41Å; H448-H452 PolarHBondContact ND1-ND1 3.4Å; H448-H452 AromaticContact NE2-CE1 3.61Å; H448-H452 PolarHBondContact O-N 3.43Å; H448-H452 PolarHBondContact O-ND1 3.37Å
449	E	77.8	Confident	78.6	Confident	91 Å²	91	84.4 Å²	84.4	43%	0.425	42%	0.418	S	S	.	.	H	α-helix	trans	-62.3	-43.3	175	-68.2	-172	-172	0	0	112.3	I445 L446 V451 H452 K453	I445-E449 PolarHBondContact O-N 3.35Å; L446-E449 PolarHBondContact O-N 3.42Å; L446-E449 VanDerWaalsContact O-N 3.14Å; E449-V451 PolarHBondContact O-N 3.44Å; E449-H452 CarbonylContact O-C 3.55Å; E449-H452 PolarHBondContact O-N 3.32Å; E449-K453 VanDerWaalsContact CB-NZ 3.31Å; E449-K453 WeakPolarHBondContact O-CG 3.37Å; E449-K453 PolarHBondContact O-N 3.47Å; E449-K453 VanDerWaalsContact O-N 3.16Å; E449-K453 WeakPolarHBondContact OE2-CE 3.23Å; E449-K453 IonicContact OE2-NZ 2.75Å; E449-K453 PolarHBondContact OE2-NZ 3.38Å
450	D	72.2	Confident	77.4	Confident	59 Å²	59	89.7 Å²	89.7	32%	0.316	44%	0.444	S	S	.	.	H	α-helix	trans	-67.7	-24.7	-176.5	-64.2	-14.3	0	0	0	112.7	N175 L446 H452 K453	N175-D450 PolarHBondContact ND2-OD2 3.5Å; L446-D450 WeakPolarHBondContact O-CB 3.46Å; L446-D450 PolarHBondContact O-N 3.23Å; D450-H452 VanDerWaalsContact C-N 3.34Å; D450-K453 IonicContact OD1-NZ 2.84Å; D450-K453 PolarHBondContact OD1-NZ 3.35Å
451	V	67.1	Low	76.1	Confident	63 Å²	63	90.4 Å²	90.4	38%	0.382	45%	0.454	S	S	.	.	H	α-helix	trans	-75.3	-19.9	169.6	169.4	0	0	0	0	112.8	V180 R447 H448 E449	V180-V451 HydrophobicContact CG2-CG2 3.85Å; R447-V451 VanDerWaalsContact O-CG2 3.29Å; R447-V451 WeakPolarHBondContact O-CG2 3.23Å; R447-V451 PolarHBondContact O-N 3.48Å; H448-V451 PolarHBondContact O-N 3.03Å; E449-V451 PolarHBondContact O-N 3.44Å
452	H	63.8	Low	74.8	Confident	126 Å²	126	91.2 Å²	91.2	58%	0.583	45%	0.452	S	S	*	.	S	Bend	trans	-115.9	15.8	-174	-63.6	80	0	0	0	113.6	H448 E449 D450	H448-H452 AromaticContact CE1-CE1 3.19Å; H448-H452 PolarHBondContact CE1-CE1 3.48Å; H448-H452 AromaticContact CE1-ND1 3.46Å; H448-H452 PolarHBondContact CE1-ND1 3.5Å; H448-H452 AromaticContact CE1-NE2 3.73Å; H448-H452 AromaticContact ND1-CE1 3.59Å; H448-H452 AromaticContact ND1-ND1 3.41Å; H448-H452 PolarHBondContact ND1-ND1 3.4Å; H448-H452 AromaticContact NE2-CE1 3.61Å; H448-H452 PolarHBondContact O-N 3.43Å; H448-H452 PolarHBondContact O-ND1 3.37Å; E449-H452 CarbonylContact O-C 3.55Å; E449-H452 PolarHBondContact O-N 3.32Å; D450-H452 VanDerWaalsContact C-N 3.34Å
453	K	55.1	Low	73.3	Confident	112 Å²	112	93.1 Å²	93.1	49%	0.487	46%	0.459	S	S	.	.			trans	-99.2	122.9	174.1	-77.9	161.7	-172	154.1	0	110.1	E449 D450	E449-K453 VanDerWaalsContact CB-NZ 3.31Å; E449-K453 WeakPolarHBondContact O-CG 3.37Å; E449-K453 PolarHBondContact O-N 3.47Å; E449-K453 VanDerWaalsContact O-N 3.16Å; E449-K453 WeakPolarHBondContact OE2-CE 3.23Å; E449-K453 IonicContact OE2-NZ 2.75Å; E449-K453 PolarHBondContact OE2-NZ 3.38Å; D450-K453 IonicContact OD1-NZ 2.84Å; D450-K453 PolarHBondContact OD1-NZ 3.35Å
454	P	41.9	Very low	71.7	Confident	153 Å²	153	99.5 Å²	99.5	99%	0.994	49%	0.493	S	S	*	.			trans	-85.9	0	-176.5	36	-37.7	0	0	0	115.3	R227	R227-P454 PolarHBondContact NH1-OXT 3.21Å; R227-P454 PolarHBondContact NH2-OXT 2.85Å

Retrieved 454 of 454 residues in 149.4 ms (Link to these results)

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