A0A077ZE11_TRITR Loading...

Fizzy protein

AlphaFold DB , UniProt , Accession A0A077ZE11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 488 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	40.9	Very low	41.3	Very low	242 Å²	242	163 Å²	163	100%	1.192	84%	0.844	S	S	*	*				0	77.6	0	-73.6	177.3	-178.5	0	0	105.5
2	A	44.1	Very low	41.2	Very low	83 Å²	83	167.8 Å²	167.8	69%	0.686	84%	0.843	S	S	*	*				74.7	121.3	89	0	0	0	0	0	110
3	D	38.6	Very low	41	Very low	158 Å²	158	171.6 Å²	171.6	85%	0.845	84%	0.844	S	S	*	*			cis	-160.2	152.8	-0.1	-88.1	-42.3	0	0	0	108.4
4	M	35.5	Very low	40.7	Very low	173 Å²	173	172.6 Å²	172.6	85%	0.852	85%	0.853	S	S	*	*			trans	-81.9	143.5	163.1	-85.7	-178.1	-81.4	0	0	109.2
5	E	41.8	Very low	40.5	Very low	194 Å²	194	165.3 Å²	165.3	91%	0.907	84%	0.839	S	S	*	*			trans	-152.2	121.1	156.5	-112.8	173.3	-165.1	0	0	111.8
6	F	39.5	Very low	40.6	Very low	196 Å²	196	163.4 Å²	163.4	86%	0.86	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-100.3	146	160.9	-80.8	-93.7	0	0	0	107.8
7	P	51.4	Low	40.5	Very low	128 Å²	128	163.4 Å²	163.4	83%	0.831	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-100	120.1	164.3	6.6	13.5	0	0	0	111.6
8	E	39.5	Very low	40.3	Very low	159 Å²	159	163.6 Å²	163.6	74%	0.743	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-75.3	130.8	151.2	-74.6	-170.5	165.8	0	0	108.7	Q10	E8-Q10 PolarHBondContact OE2-NE2 3.05Å
9	D	43.7	Very low	40.2	Very low	169 Å²	169	162.7 Å²	162.7	90%	0.904	84%	0.838	S	S	*	*			trans	-112.5	102.4	163.1	-121.8	-18.3	0	0	0	108.4
10	Q	41.7	Very low	40.4	Very low	137 Å²	137	160.8 Å²	160.8	64%	0.64	84%	0.837	S	S	*	*			trans	-82.9	144.6	176.3	-67.4	-175.6	-2.1	0	0	111.2	E8	E8-Q10 PolarHBondContact OE2-NE2 3.05Å
11	N	37.8	Very low	40.6	Very low	154 Å²	154	159.1 Å²	159.1	82%	0.824	83%	0.834	S	S	*	*			trans	43.7	102.7	142.2	-71.3	-29.4	0	0	0	118.6
12	R	40.2	Very low	40.8	Very low	220 Å²	220	152.9 Å²	152.9	83%	0.83	81%	0.811	S	S	*	*			trans	-127	141.7	147.7	-78	-173.2	176	179.5	0.4	110.8
13	Y	38.1	Very low	40.6	Very low	218 Å²	218	161 Å²	161	86%	0.855	82%	0.824	S	S	*	*			trans	96.2	62.8	170.7	-54.5	-73	0	0	0	117.7
14	L	37.7	Very low	40.7	Very low	185 Å²	185	164.8 Å²	164.8	97%	0.969	83%	0.826	S	S	*	*			trans	-112.2	127.3	142.3	-97.3	163.8	0	0	0	108
15	G	37.8	Very low	41	Very low	63 Å²	63	160.6 Å²	160.6	65%	0.649	81%	0.814	S	S	*	*			trans	138.1	130.2	160.4	0	0	0	0	0	115.9
16	T	41.5	Very low	40.9	Very low	135 Å²	135	158.7 Å²	158.7	83%	0.828	81%	0.809	S	S	*	*			trans	74.8	104.3	161.8	65.6	0	0	0	0	117.1
17	L	38.4	Very low	40.7	Very low	163 Å²	163	156 Å²	156	85%	0.853	80%	0.804	S	S	*	*				-177.4	128.3	81.4	-84.6	173.8	0	0	0	110.6	N19	L17-N19 PolarHBondContact O-N 3.48Å
18	L	36.9	Very low	40.2	Very low	167 Å²	167	159.1 Å²	159.1	87%	0.874	81%	0.805	S	S	*	*			trans	-57.8	124.8	166	-70.5	151.3	0	0	0	109.6
19	N	38.8	Very low	40.1	Very low	147 Å²	147	154.3 Å²	154.3	79%	0.786	80%	0.798	S	S	*	*			trans	-156.1	120.1	150.3	-100.6	-27.1	0	0	0	108.9	L17 V21	L17-N19 PolarHBondContact O-N 3.48Å; N19-V21 PolarHBondContact O-N 3.29Å; N19-V21 VanDerWaalsContact O-N 3.13Å
20	P	43.5	Very low	39.7	Very low	125 Å²	125	157.9 Å²	157.9	81%	0.812	80%	0.799	S	S	*	*			trans	-78	101.2	177.1	31.2	-28.8	0	0	0	108.5
21	V	46.3	Very low	39.6	Very low	126 Å²	126	155.6 Å²	155.6	76%	0.764	80%	0.798	S	S	*	*			trans	-74.9	129.1	165	179.1	0	0	0	0	107.3	N19 R23	N19-V21 PolarHBondContact O-N 3.29Å; N19-V21 VanDerWaalsContact O-N 3.13Å; V21-R23 PolarHBondContact O-N 3.38Å
22	P	44.4	Very low	39.7	Very low	111 Å²	111	159.7 Å²	159.7	72%	0.721	80%	0.802	S	S	*	*			trans	-61.9	140.4	-177.6	25.8	-32.4	0	0	0	109.7	R24	P22-R24 PolarHBondContact O-N 3.15Å
23	R	38.7	Very low	39.8	Very low	253 Å²	253	154.5 Å²	154.5	96%	0.955	79%	0.79	S	S	*	*			trans	-40.4	105.2	174.5	-73.7	178.2	173	-176.8	-2.3	110	V21 S25	V21-R23 PolarHBondContact O-N 3.38Å; R23-S25 PolarHBondContact O-N 3.13Å; R23-S25 VanDerWaalsContact O-N 3.09Å
24	R	40.6	Very low	40.3	Very low	238 Å²	238	155.4 Å²	155.4	90%	0.898	79%	0.793	S	S	*	*			trans	-60.1	115.3	157.7	-92.9	-176.2	171.9	-178	-1.9	105.6	P22 L26	P22-R24 PolarHBondContact O-N 3.15Å; R24-L26 PolarHBondContact O-N 3.37Å
25	S	42.6	Very low	41.1	Very low	85 Å²	85	152.8 Å²	152.8	59%	0.594	77%	0.77	S	S	*	*			trans	-47.4	131	170.9	61	0	0	0	0	107.9	R23 N27	R23-S25 PolarHBondContact O-N 3.13Å; R23-S25 VanDerWaalsContact O-N 3.09Å; S25-N27 PolarHBondContact O-N 3.04Å; S25-N27 PolarHBondContact OG-OD1 3.44Å
26	L	39.1	Very low	42	Very low	153 Å²	153	154.8 Å²	154.8	80%	0.801	77%	0.773	S	S	*	*			trans	-62.3	82	160.8	-75.1	160	0	0	0	106.1	R24 F28	R24-L26 PolarHBondContact O-N 3.37Å; L26-F28 HydrophobicContact CB-CE2 4.46Å; L26-F28 PolarHBondContact O-N 3.12Å
27	N	37.2	Very low	43	Very low	140 Å²	140	154.8 Å²	154.8	75%	0.749	77%	0.774	S	S	*	*			trans	-64.8	98.6	159.4	-84.6	0.5	0	0	0	104.7	S25 G29	S25-N27 PolarHBondContact O-N 3.04Å; S25-N27 PolarHBondContact OG-OD1 3.44Å; N27-G29 PolarHBondContact O-N 3.18Å
28	F	40.1	Very low	44.2	Very low	193 Å²	193	149.3 Å²	149.3	85%	0.846	76%	0.756	S	S	*	*			trans	-58.5	68	150.1	-76.7	-88.5	0	0	0	107.7	L26 R30	L26-F28 HydrophobicContact CB-CE2 4.46Å; L26-F28 PolarHBondContact O-N 3.12Å; F28-R30 PolarHBondContact O-N 3.2Å; F28-R30 VanDerWaalsContact O-N 3.15Å
29	G	37.7	Very low	45.8	Very low	59 Å²	59	145 Å²	145	61%	0.608	73%	0.734	S	S	*	*			trans	-58.8	118.2	157.4	0	0	0	0	0	104.7	N27 S31	N27-G29 PolarHBondContact O-N 3.18Å; G29-S31 PolarHBondContact O-N 2.74Å
30	R	35.4	Very low	47.4	Very low	244 Å²	244	148.8 Å²	148.8	92%	0.921	74%	0.737	S	S	*	*			trans	-58.8	72.8	167.8	-77.5	178.3	168.7	-174.7	-2.8	108.6	F28 R32	F28-R30 PolarHBondContact O-N 3.2Å; F28-R30 VanDerWaalsContact O-N 3.15Å; R30-R32 PolarHBondContact O-N 2.99Å
31	S	38.4	Very low	48.9	Very low	89 Å²	89	150 Å²	150	62%	0.622	74%	0.736	S	S	*	*			trans	-71.4	108.3	160.3	177.5	0	0	0	0	105.1	G29 N33	G29-S31 PolarHBondContact O-N 2.74Å; S31-N33 PolarHBondContact O-N 3.44Å
32	R	39.9	Very low	50.3	Low	240 Å²	240	149.1 Å²	149.1	91%	0.906	73%	0.726	S	S	*	*			trans	-66.7	23.3	177.6	-109.8	177.5	171.7	178.3	-3.2	113	R30 R34	R30-R32 PolarHBondContact O-N 2.99Å; R32-R34 PolarHBondContact O-N 3.43Å
33	N	42.4	Very low	51.7	Low	110 Å²	110	145.4 Å²	145.4	59%	0.588	70%	0.702	S	S	*	*			trans	-90.4	97.6	172.5	-93.2	-5.6	0	0	0	110.2	S31 Y35	S31-N33 PolarHBondContact O-N 3.44Å; N33-Y35 PolarHBondContact O-N 2.92Å
34	R	49.2	Very low	53.4	Low	238 Å²	238	138 Å²	138	90%	0.898	67%	0.674	S	S	*	*	S	Bend	trans	-68.2	22.6	175.9	-64.4	-174.2	-162.2	178.3	5	114.5	R32	R32-R34 PolarHBondContact O-N 3.43Å
35	Y	54.9	Low	54.9	Low	129 Å²	129	137.2 Å²	137.2	51%	0.506	67%	0.671	S	S	.	*			trans	-127.6	37	-172.6	-60.5	-73.7	0	0	0	112.3	N33 P119	N33-Y35 PolarHBondContact O-N 2.92Å; Y35-P119 WeakPolarHBondContact O-CB 3.47Å; Y35-P119 WeakPolarHBondContact O-CG 3.19Å
36	C	55.3	Low	56.2	Low	105 Å²	105	135 Å²	135	71%	0.709	65%	0.653	S	S	*	*			trans	-108.6	22.1	-174.8	-72.5	0	0	0	0	115.2
37	T	62.9	Low	57.4	Low	136 Å²	136	132.9 Å²	132.9	83%	0.834	65%	0.648	S	S	*	*			trans	-106.5	77.6	177.9	58.8	0	0	0	0	111.1
38	G	64.7	Low	58.7	Low	47 Å²	47	131.2 Å²	131.2	49%	0.485	64%	0.636	S	S	.	*			trans	-126.7	138.6	167.8	0	0	0	0	0	109.9
39	D	69.6	Low	60	Low	78 Å²	78	122.2 Å²	122.2	42%	0.417	60%	0.597	S	S	.	*			trans	-110.5	138.3	175.7	-176.4	-12.7	0	0	0	108.5	L41 I42 F117	D39-L41 PolarHBondContact O-N 3.22Å; D39-L41 PolarHBondContact OD1-N 3.19Å; D39-I42 HydrophobicContact CB-CB 4.21Å; D39-I42 WeakPolarHBondContact OD2-CD1 3.45Å; D39-F117 WeakPolarHBondContact O-CB 3.48Å; D39-F117 WeakPolarHBondContact O-CD1 3.32Å
40	R	72.5	Confident	61.5	Low	226 Å²	226	122.8 Å²	122.8	85%	0.853	58%	0.581	S	S	*	*	S	Bend	trans	-68.3	-21.6	177.3	-78.9	-175.3	170.9	171.3	-2.6	113.6	F117	R40-F117 VanDerWaalsContact O-CD1 3.22Å; R40-F117 WeakPolarHBondContact O-CD1 3.27Å; R40-F117 VanDerWaalsContact O-CE1 3.26Å; R40-F117 WeakPolarHBondContact O-CE1 3.43Å
41	L	74.7	Confident	63	Low	151 Å²	151	114.3 Å²	114.3	79%	0.791	56%	0.563	S	S	*	*	S	Bend	trans	-102.9	-16.8	-174.9	-62.6	178.5	0	0	0	113.4	D39	D39-L41 PolarHBondContact O-N 3.22Å; D39-L41 PolarHBondContact OD1-N 3.19Å
42	I	75.4	Confident	64.4	Low	107 Å²	107	112 Å²	112	55%	0.549	54%	0.542	S	S	.	.	S	Bend	trans	-114.5	104.7	-177.9	-56.3	176.9	0	0	0	107.6	D39 R44	D39-I42 HydrophobicContact CB-CB 4.21Å; D39-I42 WeakPolarHBondContact OD2-CD1 3.45Å; I42-R44 PolarHBondContact O-N 3.19Å
43	P	75	Confident	65.7	Low	32 Å²	32	102.9 Å²	102.9	21%	0.208	51%	0.508	C	S	.	.			trans	-54.5	137	173.8	-24.1	33.1	0	0	0	110.1	R45 W50 Y115 D116 F117	P43-R45 PolarHBondContact O-N 3.46Å; P43-R45 VanDerWaalsContact O-N 3.15Å; P43-W50 HydrophobicContact CB-CH2 4.23Å; P43-W50 HydrophobicContact CB-CZ2 3.73Å; P43-Y115 HydrophobicContact CB-CD1 4.09Å; P43-Y115 HydrophobicContact CB-CG 4.43Å; P43-Y115 HydrophobicContact CG-CD1 4.08Å; P43-Y115 HydrophobicContact CG-CG 4.25Å; P43-D116 CarbonylContact C-O 3.53Å; P43-F117 HydrophobicContact CB-CD1 4.49Å; P43-F117 HydrophobicContact CB-CE1 4.09Å; P43-F117 HydrophobicContact CB-CZ 4.42Å; P43-F117 HydrophobicContact CG-CD1 4.37Å; P43-F117 HydrophobicContact CG-CE1 3.55Å; P43-F117 HydrophobicContact CG-CZ 3.82Å
44	R	73.5	Confident	67	Low	98 Å²	98	101.4 Å²	101.4	37%	0.37	50%	0.499	S	S	.	.			trans	-56.6	123.1	169.2	177.1	-177	163.3	148.4	-3.6	108.4	I42 D46 W50 D116 A120	I42-R44 PolarHBondContact O-N 3.19Å; R44-D46 PolarHBondContact O-N 3.15Å; R44-D46 VanDerWaalsContact O-N 3.17Å; R44-W50 WeakPolarHBondContact O-CZ2 3.31Å; R44-W50 PolarHBondContact O-NE1 2.97Å; R44-D116 WeakPolarHBondContact CB-O 3.44Å; R44-D116 PolarHBondContact N-O 2.84Å; R44-A120 PolarHBondContact NH1-O 2.79Å
45	R	72.1	Confident	67.8	Low	222 Å²	222	96 Å²	96	84%	0.838	48%	0.484	S	S	*	.			trans	-70.7	110.4	170.6	-67.4	-173.9	179.7	-174.5	-0	108.4	P43	P43-R45 PolarHBondContact O-N 3.46Å; P43-R45 VanDerWaalsContact O-N 3.15Å
46	D	69.7	Low	68.2	Low	39 Å²	39	91.8 Å²	91.8	21%	0.209	47%	0.467	C	S	.	.			trans	-133.8	80.9	176.9	-179.3	17	0	0	0	107	R44 E48 G49 W50 R53	R44-D46 PolarHBondContact O-N 3.15Å; R44-D46 VanDerWaalsContact O-N 3.17Å; D46-E48 PolarHBondContact O-N 2.8Å; D46-G49 PolarHBondContact O-N 3.1Å; D46-W50 PolarHBondContact O-N 3.19Å; D46-R53 IonicContact OD2-NH2 3.86Å; D46-R53 PolarHBondContact OD2-NH2 2.84Å; D46-R53 VanDerWaalsContact OD2-NH2 3.16Å
47	P	65.3	Low	68.4	Low	107 Å²	107	88.3 Å²	88.3	70%	0.695	45%	0.45	S	S	*	.	H	α-helix	trans	-59.1	-33.2	-166.2	18.5	-28.7	0	0	0	112.9
48	E	64.7	Low	68.1	Low	106 Å²	106	89.2 Å²	89.2	50%	0.495	44%	0.442	S	S	.	.	H	α-helix	trans	-75.1	-49.2	177.1	-62.1	-178.2	170.5	0	0	111.1	D46 W50 A51 E52 R125	D46-E48 PolarHBondContact O-N 2.8Å; E48-W50 VanDerWaalsContact C-N 3.28Å; E48-W50 PolarHBondContact O-N 2.65Å; E48-A51 PolarHBondContact O-N 2.68Å; E48-E52 WeakPolarHBondContact O-CG 3.39Å; E48-E52 PolarHBondContact O-N 2.77Å; E48-R125 IonicContact OE2-CZ 3.52Å; E48-R125 IonicContact OE2-NH1 3.56Å; E48-R125 PolarHBondContact OE2-NH1 2.77Å; E48-R125 IonicContact OE2-NH2 2.74Å; E48-R125 PolarHBondContact OE2-NH2 2.75Å
49	G	67.4	Low	67.7	Low	4 Å²	4	90.3 Å²	90.3	4%	0.041	44%	0.442	C	S	.	.	H	α-helix	trans	-64.8	-27.7	179.8	0	0	0	0	0	114.2	D46 R53	D46-G49 PolarHBondContact O-N 3.1Å; G49-R53 WeakPolarHBondContact O-CB 3.4Å; G49-R53 WeakPolarHBondContact O-CD 3.41Å; G49-R53 WeakPolarHBondContact O-CG 3.43Å; G49-R53 PolarHBondContact O-N 2.98Å; G49-R53 PolarHBondContact O-NE 2.86Å
50	W	68.9	Low	66.8	Low	71 Å²	71	92.1 Å²	92.1	27%	0.269	45%	0.448	S	S	.	.	H	α-helix	trans	-70.7	-45.5	177	-76.1	31.6	0	0	0	111.9	P43 R44 D46 E48 E52 R53 I54 Y115	P43-W50 HydrophobicContact CB-CH2 4.23Å; P43-W50 HydrophobicContact CB-CZ2 3.73Å; R44-W50 WeakPolarHBondContact O-CZ2 3.31Å; R44-W50 PolarHBondContact O-NE1 2.97Å; D46-W50 PolarHBondContact O-N 3.19Å; E48-W50 VanDerWaalsContact C-N 3.28Å; E48-W50 PolarHBondContact O-N 2.65Å; W50-E52 VanDerWaalsContact C-N 3.31Å; W50-E52 PolarHBondContact O-N 2.85Å; W50-R53 PolarHBondContact O-N 2.84Å; W50-I54 WeakPolarHBondContact O-CB 3.27Å; W50-I54 WeakPolarHBondContact O-CD1 3.25Å; W50-I54 WeakPolarHBondContact O-CG1 3.24Å; W50-I54 PolarHBondContact O-N 2.93Å; W50-Y115 HydrophobicContact CE3-CE1 4.48Å; W50-Y115 HydrophobicContact CH2-CD1 4.22Å; W50-Y115 HydrophobicContact CH2-CE1 4.2Å; W50-Y115 HydrophobicContact CZ2-CD1 4.18Å; W50-Y115 HydrophobicContact CZ3-CE1 4.15Å
51	A	67.4	Low	65.3	Low	65 Å²	65	87.2 Å²	87.2	54%	0.537	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-43.6	178.5	0	0	0	0	0	111	E48 I54 H55	E48-A51 PolarHBondContact O-N 2.68Å; A51-I54 PolarHBondContact O-N 2.79Å; A51-H55 WeakPolarHBondContact O-CB 3.17Å; A51-H55 PolarHBondContact O-N 3.22Å
52	E	66	Low	63.5	Low	40 Å²	40	84.5 Å²	84.5	19%	0.187	44%	0.436	C	S	.	.	H	α-helix	trans	-59.4	-51.7	174.6	-67.8	169.1	-176.6	0	0	111.9	E48 W50 I54 H55 Y56 L92	E48-E52 WeakPolarHBondContact O-CG 3.39Å; E48-E52 PolarHBondContact O-N 2.77Å; W50-E52 VanDerWaalsContact C-N 3.31Å; W50-E52 PolarHBondContact O-N 2.85Å; E52-I54 VanDerWaalsContact C-N 3.34Å; E52-I54 PolarHBondContact O-N 3.44Å; E52-H55 PolarHBondContact O-N 2.84Å; E52-Y56 WeakPolarHBondContact O-CD2 3.37Å; E52-Y56 PolarHBondContact O-N 2.62Å; E52-Y56 VanDerWaalsContact O-N 3.11Å; E52-L92 HydrophobicContact CG-CD2 4.37Å
53	R	69	Low	61.6	Low	50 Å²	50	89 Å²	89	19%	0.189	45%	0.451	C	S	.	.	H	α-helix	trans	-63.7	-37.4	-179.1	-72.7	171.3	-143.2	163.4	5.8	112.6	D46 G49 W50 G57 I114	D46-R53 IonicContact OD2-NH2 3.86Å; D46-R53 PolarHBondContact OD2-NH2 2.84Å; D46-R53 VanDerWaalsContact OD2-NH2 3.16Å; G49-R53 WeakPolarHBondContact O-CB 3.4Å; G49-R53 WeakPolarHBondContact O-CD 3.41Å; G49-R53 WeakPolarHBondContact O-CG 3.43Å; G49-R53 PolarHBondContact O-N 2.98Å; G49-R53 PolarHBondContact O-NE 2.86Å; W50-R53 PolarHBondContact O-N 2.84Å; R53-G57 PolarHBondContact O-N 3.47Å; R53-I114 VanDerWaalsContact CD-O 3.25Å; R53-I114 WeakPolarHBondContact CD-O 3.48Å; R53-I114 PolarHBondContact NH1-O 2.89Å
54	I	69.2	Low	59.9	Low	79 Å²	79	98.4 Å²	98.4	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-66.7	-42.1	175.9	-69.8	166.4	0	0	0	110.5	W50 A51 E52 Y56 G57 K58 I114	W50-I54 WeakPolarHBondContact O-CB 3.27Å; W50-I54 WeakPolarHBondContact O-CD1 3.25Å; W50-I54 WeakPolarHBondContact O-CG1 3.24Å; W50-I54 PolarHBondContact O-N 2.93Å; A51-I54 PolarHBondContact O-N 2.79Å; E52-I54 VanDerWaalsContact C-N 3.34Å; E52-I54 PolarHBondContact O-N 3.44Å; I54-Y56 VanDerWaalsContact C-N 3.35Å; I54-Y56 PolarHBondContact O-N 3.42Å; I54-G57 PolarHBondContact O-N 2.79Å; I54-K58 PolarHBondContact O-N 3.13Å; I54-I114 HydrophobicContact CG1-CG2 4.01Å
55	H	66.3	Low	58	Low	123 Å²	123	103 Å²	103	57%	0.569	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-44.9	178.7	-169.2	75.9	0	0	0	111.5	A51 E52 K58 S59	A51-H55 WeakPolarHBondContact O-CB 3.17Å; A51-H55 PolarHBondContact O-N 3.22Å; E52-H55 PolarHBondContact O-N 2.84Å; H55-K58 PolarHBondContact O-N 2.78Å; H55-S59 PolarHBondContact O-N 3.18Å
56	Y	61.8	Low	56.3	Low	41 Å²	41	97 Å²	97	16%	0.161	50%	0.495	C	S	.	.	H	α-helix	trans	-74.3	-33.4	176.5	-78.2	-66.2	0	0	0	114.4	E52 I54 K58 S59 E60 D88 L92 T94	E52-Y56 WeakPolarHBondContact O-CD2 3.37Å; E52-Y56 PolarHBondContact O-N 2.62Å; E52-Y56 VanDerWaalsContact O-N 3.11Å; I54-Y56 VanDerWaalsContact C-N 3.35Å; I54-Y56 PolarHBondContact O-N 3.42Å; Y56-K58 PolarHBondContact O-N 3.34Å; Y56-S59 WeakPolarHBondContact O-CA 3.46Å; Y56-S59 WeakPolarHBondContact O-CB 3.44Å; Y56-S59 PolarHBondContact O-N 2.92Å; Y56-E60 PolarHBondContact O-N 3.02Å; Y56-E60 VanDerWaalsContact O-N 3.07Å; Y56-D88 PolarHBondContact OH-OD1 2.84Å; Y56-D88 VanDerWaalsContact OH-OD1 3.09Å; Y56-L92 HydrophobicContact CE1-CD1 4.33Å; Y56-L92 HydrophobicContact CE2-CB 3.75Å; Y56-L92 HydrophobicContact CE2-CD1 3.8Å; Y56-L92 HydrophobicContact CE2-CD2 4.38Å; Y56-L92 HydrophobicContact CE2-CG 4.17Å; Y56-L92 VanDerWaalsContact CZ-CD1 3.45Å; Y56-L92 WeakPolarHBondContact OH-CB 3.29Å; Y56-L92 WeakPolarHBondContact OH-CD1 3.35Å; Y56-T94 HydrophobicContact CE2-CG2 4.04Å; Y56-T94 WeakPolarHBondContact OH-CG2 3.36Å
57	G	60.7	Low	54.7	Low	33 Å²	33	98.3 Å²	98.3	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-56.6	-32.1	174.6	0	0	0	0	0	112.2	R53 I54	R53-G57 PolarHBondContact O-N 3.47Å; I54-G57 PolarHBondContact O-N 2.79Å
58	K	57.3	Low	53.3	Low	154 Å²	154	104 Å²	104	67%	0.67	52%	0.519	S	S	*	.	H	α-helix	trans	-74.5	-30	171.6	-67.9	-177.4	179.1	-178.3	0	113.5	I54 H55 Y56	I54-K58 PolarHBondContact O-N 3.13Å; H55-K58 PolarHBondContact O-N 2.78Å; Y56-K58 PolarHBondContact O-N 3.34Å
59	S	55.6	Low	52.1	Low	71 Å²	71	103 Å²	103	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-72.6	-34.6	179.2	-162.2	0	0	0	0	112.6	H55 Y56 V61 C62	H55-S59 PolarHBondContact O-N 3.18Å; Y56-S59 WeakPolarHBondContact O-CA 3.46Å; Y56-S59 WeakPolarHBondContact O-CB 3.44Å; Y56-S59 PolarHBondContact O-N 2.92Å; S59-V61 VanDerWaalsContact C-N 3.27Å; S59-V61 PolarHBondContact O-N 3.29Å; S59-C62 WeakPolarHBondContact O-CB 3.43Å; S59-C62 PolarHBondContact O-N 2.53Å; S59-C62 VanDerWaalsContact O-N 3.1Å
60	E	50.6	Low	50.7	Low	116 Å²	116	113.4 Å²	113.4	54%	0.542	56%	0.555	S	S	.	*	H	α-helix	trans	-68.9	-21.9	176.4	-73.9	-163.7	173.4	0	0	113.8	Y56 C62 R110	Y56-E60 PolarHBondContact O-N 3.02Å; Y56-E60 VanDerWaalsContact O-N 3.07Å; E60-C62 PolarHBondContact O-N 3.43Å; E60-R110 IonicContact OE1-NH1 3.16Å; E60-R110 PolarHBondContact OE1-NH1 2.89Å
61	V	41.5	Very low	49.3	Very low	122 Å²	122	115 Å²	115	74%	0.739	57%	0.568	S	S	*	*	H	α-helix	trans	-70.2	-24.8	172.7	-178.4	0	0	0	0	111.2	S59 K63	S59-V61 VanDerWaalsContact C-N 3.27Å; S59-V61 PolarHBondContact O-N 3.29Å; V61-K63 PolarHBondContact O-N 2.92Å; V61-K63 VanDerWaalsContact O-N 3.12Å
62	C	35.3	Very low	48.1	Very low	95 Å²	95	117.3 Å²	117.3	64%	0.642	57%	0.571	S	S	*	*	S	Bend	trans	-83.9	80.5	168.1	-75.8	0	0	0	0	109.7	S59 E60 R64	S59-C62 WeakPolarHBondContact O-CB 3.43Å; S59-C62 PolarHBondContact O-N 2.53Å; S59-C62 VanDerWaalsContact O-N 3.1Å; E60-C62 PolarHBondContact O-N 3.43Å; C62-R64 PolarHBondContact O-N 3.49Å
63	K	36.7	Very low	47.3	Very low	200 Å²	200	119.4 Å²	119.4	87%	0.87	58%	0.58	S	S	*	*			trans	-56.2	80.4	171.4	-68.3	-179.1	179.9	175.9	0	111.7	V61	V61-K63 PolarHBondContact O-N 2.92Å; V61-K63 VanDerWaalsContact O-N 3.12Å
64	R	38.2	Very low	46.5	Very low	231 Å²	231	119.3 Å²	119.3	87%	0.872	58%	0.584	S	S	*	*			trans	-80.3	118	156.1	-76.2	-173.1	167.2	-175.4	-3.2	106.2	C62	C62-R64 PolarHBondContact O-N 3.49Å
65	K	34.5	Very low	45.8	Very low	193 Å²	193	117.7 Å²	117.7	84%	0.839	58%	0.576	S	S	*	*			trans	-42.6	134.8	172.6	-74.7	178.8	176.7	176.8	0	108.1	A67	K65-A67 PolarHBondContact O-N 2.89Å
66	P	36.7	Very low	45.5	Very low	96 Å²	96	115.9 Å²	115.9	62%	0.623	57%	0.57	S	S	*	*			trans	-58.8	110	173.9	25.4	-30.8	0	0	0	105.9	R68	P66-R68 PolarHBondContact O-N 3.36Å
67	A	36.2	Very low	45.8	Very low	67 Å²	67	117 Å²	117	55%	0.554	58%	0.579	S	S	*	*			trans	-67	80.4	164.8	0	0	0	0	0	104.9	K65 L69 L71	K65-A67 PolarHBondContact O-N 2.89Å; A67-L69 PolarHBondContact O-N 2.91Å; A67-L71 HydrophobicContact CB-CD1 4.25Å
68	R	36.4	Very low	46.2	Very low	227 Å²	227	116.5 Å²	116.5	86%	0.857	57%	0.571	S	S	*	*			trans	-50.3	118.1	168.3	-162.9	179.7	-172.6	179.5	2.6	104.8	P66 R70	P66-R68 PolarHBondContact O-N 3.36Å; R68-R70 VanDerWaalsContact C-N 3.29Å; R68-R70 PolarHBondContact O-N 3.32Å
69	L	39.1	Very low	47.2	Very low	86 Å²	86	114 Å²	114	45%	0.45	57%	0.565	S	S	.	*	S	Bend	trans	-34.8	90	-175.9	-93.3	85	0	0	0	111.8	A67 L72	A67-L69 PolarHBondContact O-N 2.91Å; L69-L72 HydrophobicContact CD2-CD1 4.32Å
70	R	37.9	Very low	48.3	Very low	221 Å²	221	116.5 Å²	116.5	83%	0.834	57%	0.566	S	S	*	*			trans	-129.4	13.3	161.3	-79.8	-166	-176.7	175.5	1.3	109.8	R68	R68-R70 VanDerWaalsContact C-N 3.29Å; R68-R70 PolarHBondContact O-N 3.32Å
71	L	39.4	Very low	49.7	Very low	106 Å²	106	114.1 Å²	114.1	56%	0.555	56%	0.556	S	S	*	*			trans	-118.9	42.8	-179.3	-67.2	173.2	0	0	0	110.9	A67	A67-L71 HydrophobicContact CB-CD1 4.25Å
72	L	42.2	Very low	51.7	Low	113 Å²	113	109.7 Å²	109.7	59%	0.592	53%	0.528	S	S	*	.			trans	-92.5	41.1	151.5	-66.5	172.4	0	0	0	108.2	L69	L69-L72 HydrophobicContact CD2-CD1 4.32Å
73	E	49.4	Very low	54.1	Low	83 Å²	83	112.3 Å²	112.3	39%	0.388	53%	0.525	S	S	.	.	S	Bend	trans	-74.8	-23.3	175.2	-65.9	-163.4	176.2	0	0	110.2	R154 K421	E73-R154 PolarHBondContact O-NH2 3.49Å; E73-K421 IonicContact OE1-NZ 3.5Å; E73-K421 IonicContact OE2-NZ 3.58Å; E73-K421 PolarHBondContact OE2-NZ 3.11Å
74	D	51.6	Low	56.5	Low	48 Å²	48	110.8 Å²	110.8	26%	0.257	51%	0.514	S	S	.	.			trans	-130.9	117	-174.9	-64.9	24	0	0	0	109.7	D76 D77 S78 R154	D74-D76 PolarHBondContact O-N 3.03Å; D74-D77 HydrophobicContact CB-CB 4.29Å; D74-D77 WeakPolarHBondContact O-CB 3.12Å; D74-D77 PolarHBondContact O-N 2.63Å; D74-S78 PolarHBondContact O-N 3.2Å; D74-R154 VanDerWaalsContact CG-CZ 3.43Å; D74-R154 IonicContact OD1-CZ 3.75Å; D74-R154 IonicContact OD1-NH1 3.82Å; D74-R154 PolarHBondContact OD1-NH1 3.48Å; D74-R154 IonicContact OD1-NH2 3.15Å; D74-R154 PolarHBondContact OD1-NH2 3.48Å; D74-R154 IonicContact OD2-CZ 2.74Å; D74-R154 IonicContact OD2-NH1 3.59Å; D74-R154 PolarHBondContact OD2-NH1 3Å; D74-R154 IonicContact OD2-NH2 3.32Å
75	D	54.3	Low	58.7	Low	46 Å²	46	99.8 Å²	99.8	25%	0.246	47%	0.473	C	S	.	.	H	α-helix	trans	-56.1	-34	176	-69.5	-45.4	0	0	0	111.5	D77 S78 D79 T149	D75-D77 PolarHBondContact O-N 2.8Å; D75-S78 WeakPolarHBondContact O-CB 3.32Å; D75-S78 PolarHBondContact O-N 2.78Å; D75-S78 PolarHBondContact O-OG 2.82Å; D75-D79 PolarHBondContact O-N 2.55Å; D75-D79 VanDerWaalsContact O-N 3.13Å; D75-T149 PolarHBondContact OD1-OG1 2.84Å
76	D	60.7	Low	61.2	Low	85 Å²	85	91.8 Å²	91.8	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-26.3	177.1	-66.4	-6.9	0	0	0	112.1	D74 K80 K151	D74-D76 PolarHBondContact O-N 3.03Å; D76-K80 WeakPolarHBondContact O-CD 3.42Å; D76-K80 VanDerWaalsContact O-CE 3.25Å; D76-K80 WeakPolarHBondContact O-CE 3.45Å; D76-K80 WeakPolarHBondContact O-CG 3.25Å; D76-K80 PolarHBondContact O-N 3.19Å; D76-K151 IonicContact OD1-NZ 2.8Å; D76-K151 PolarHBondContact OD1-NZ 3.05Å
77	D	68.2	Low	63.6	Low	65 Å²	65	90.2 Å²	90.2	35%	0.348	43%	0.425	S	S	.	.	H	α-helix	trans	-81.7	-29.7	173.7	-74.6	-15	0	0	0	111.8	D74 D75 K80 M81	D74-D77 HydrophobicContact CB-CB 4.29Å; D74-D77 WeakPolarHBondContact O-CB 3.12Å; D74-D77 PolarHBondContact O-N 2.63Å; D75-D77 PolarHBondContact O-N 2.8Å; D77-K80 PolarHBondContact O-N 3.28Å; D77-K80 IonicContact OD1-NZ 2.92Å; D77-K80 PolarHBondContact OD1-NZ 3.07Å; D77-M81 VanDerWaalsContact O-CB 3.31Å; D77-M81 WeakPolarHBondContact O-CB 3.46Å; D77-M81 WeakPolarHBondContact O-CG 3.33Å; D77-M81 PolarHBondContact O-N 2.86Å
78	S	69	Low	65.8	Low	22 Å²	22	88.7 Å²	88.7	15%	0.154	41%	0.408	C	S	.	.	H	α-helix	trans	-64.8	-43.9	174.6	77.7	0	0	0	0	112.1	D74 D75 K80 M81 I82	D74-S78 PolarHBondContact O-N 3.2Å; D75-S78 WeakPolarHBondContact O-CB 3.32Å; D75-S78 PolarHBondContact O-N 2.78Å; D75-S78 PolarHBondContact O-OG 2.82Å; S78-K80 PolarHBondContact O-N 3.27Å; S78-M81 WeakPolarHBondContact O-CB 3.44Å; S78-M81 PolarHBondContact O-N 3.43Å; S78-M81 VanDerWaalsContact O-N 3.17Å; S78-I82 WeakPolarHBondContact O-CG1 3.45Å; S78-I82 PolarHBondContact O-N 2.88Å
79	D	77	Confident	68.1	Low	102 Å²	102	78.1 Å²	78.1	55%	0.545	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-42.1	176.3	-73.5	-18.9	0	0	0	111.2	D75 M81 I82 Y83	D75-D79 PolarHBondContact O-N 2.55Å; D75-D79 VanDerWaalsContact O-N 3.13Å; D79-M81 VanDerWaalsContact C-N 3.31Å; D79-M81 PolarHBondContact O-N 2.81Å; D79-I82 PolarHBondContact O-N 2.87Å; D79-Y83 WeakPolarHBondContact O-CB 3.45Å; D79-Y83 PolarHBondContact O-N 3.37Å
80	K	80.2	Confident	70.3	Confident	123 Å²	123	77.3 Å²	77.3	54%	0.535	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-38.1	173.3	-71.7	171.5	-150.1	156.1	0	112.1	D76 D77 S78 R84	D76-K80 WeakPolarHBondContact O-CD 3.42Å; D76-K80 VanDerWaalsContact O-CE 3.25Å; D76-K80 WeakPolarHBondContact O-CE 3.45Å; D76-K80 WeakPolarHBondContact O-CG 3.25Å; D76-K80 PolarHBondContact O-N 3.19Å; D77-K80 PolarHBondContact O-N 3.28Å; D77-K80 IonicContact OD1-NZ 2.92Å; D77-K80 PolarHBondContact OD1-NZ 3.07Å; S78-K80 PolarHBondContact O-N 3.27Å; K80-R84 VanDerWaalsContact O-CB 3.26Å; K80-R84 WeakPolarHBondContact O-CB 3.18Å; K80-R84 PolarHBondContact O-N 3.13Å
81	M	78.7	Confident	72.3	Confident	65 Å²	65	72.6 Å²	72.6	32%	0.32	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-42.3	177.7	-79.2	-173.8	89.1	0	0	111.7	D77 S78 D79 R84 A85 I102	D77-M81 VanDerWaalsContact O-CB 3.31Å; D77-M81 WeakPolarHBondContact O-CB 3.46Å; D77-M81 WeakPolarHBondContact O-CG 3.33Å; D77-M81 PolarHBondContact O-N 2.86Å; S78-M81 WeakPolarHBondContact O-CB 3.44Å; S78-M81 PolarHBondContact O-N 3.43Å; S78-M81 VanDerWaalsContact O-N 3.17Å; D79-M81 VanDerWaalsContact C-N 3.31Å; D79-M81 PolarHBondContact O-N 2.81Å; M81-R84 PolarHBondContact O-N 2.86Å; M81-A85 WeakPolarHBondContact O-CB 3.46Å; M81-A85 PolarHBondContact O-N 2.9Å; M81-I102 HydrophobicContact CB-CG2 4.04Å; M81-I102 HydrophobicContact CE-CG2 3.92Å
82	I	84	Confident	74	Confident	30 Å²	30	69.3 Å²	69.3	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-47.5	173.8	-65.7	166.6	0	0	0	110.1	S78 D79 R84 A85 I86 I102 L142	S78-I82 WeakPolarHBondContact O-CG1 3.45Å; S78-I82 PolarHBondContact O-N 2.88Å; D79-I82 PolarHBondContact O-N 2.87Å; I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 3.21Å; I82-A85 WeakPolarHBondContact O-CB 3.36Å; I82-A85 PolarHBondContact O-N 3.02Å; I82-A85 VanDerWaalsContact O-N 3.15Å; I82-I86 HydrophobicContact CG2-CD1 4.02Å; I82-I86 WeakPolarHBondContact O-CG1 3.25Å; I82-I86 PolarHBondContact O-N 2.8Å; I82-I102 HydrophobicContact CG1-CD1 3.91Å; I82-L142 HydrophobicContact CG2-CD2 4.38Å
83	Y	87	Confident	75.6	Confident	149 Å²	149	65.7 Å²	65.7	58%	0.584	32%	0.317	S	S	*	.	H	α-helix	trans	-58	-44	176.6	177.9	-106.9	0	0	0	112.1	D79 A85 I86 L87	D79-Y83 WeakPolarHBondContact O-CB 3.45Å; D79-Y83 PolarHBondContact O-N 3.37Å; Y83-A85 PolarHBondContact O-N 2.88Å; Y83-I86 PolarHBondContact O-N 2.83Å; Y83-L87 HydrophobicContact CD1-CD1 4.04Å; Y83-L87 HydrophobicContact CE1-CD1 3.47Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.47Å; Y83-L87 HydrophobicContact CE1-CG 4.14Å; Y83-L87 PolarHBondContact O-N 2.81Å
84	R	85.1	Confident	76.8	Confident	168 Å²	168	62.2 Å²	62.2	63%	0.634	30%	0.301	S	S	*	.	H	α-helix	trans	-61.5	-43.2	174.8	-177.4	178.4	-179.2	138.6	5.3	112.2	K80 M81 I82 I86 L87 D88	K80-R84 VanDerWaalsContact O-CB 3.26Å; K80-R84 WeakPolarHBondContact O-CB 3.18Å; K80-R84 PolarHBondContact O-N 3.13Å; M81-R84 PolarHBondContact O-N 2.86Å; I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 3.21Å; R84-I86 VanDerWaalsContact C-N 3.29Å; R84-I86 PolarHBondContact O-N 2.93Å; R84-L87 WeakPolarHBondContact O-CB 3.45Å; R84-L87 PolarHBondContact O-N 2.68Å; R84-D88 PolarHBondContact O-N 2.88Å
85	A	84.6	Confident	78.2	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-35	177.1	0	0	0	0	0	112.4	M81 I82 Y83 D88 N89 I96 I102 L141	M81-A85 WeakPolarHBondContact O-CB 3.46Å; M81-A85 PolarHBondContact O-N 2.9Å; I82-A85 WeakPolarHBondContact O-CB 3.36Å; I82-A85 PolarHBondContact O-N 3.02Å; I82-A85 VanDerWaalsContact O-N 3.15Å; Y83-A85 PolarHBondContact O-N 2.88Å; A85-D88 PolarHBondContact O-N 2.99Å; A85-N89 PolarHBondContact O-N 2.88Å; A85-I96 HydrophobicContact CB-CD1 4.07Å; A85-I96 HydrophobicContact CB-CG2 4.22Å; A85-I102 HydrophobicContact CB-CD1 4.05Å; A85-I102 HydrophobicContact CB-CG1 3.88Å; A85-I102 HydrophobicContact CB-CG2 4.21Å; A85-L141 HydrophobicContact CB-CD2 3.71Å
86	I	88.3	Confident	79.4	Confident	24 Å²	24	62.1 Å²	62.1	12%	0.123	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-45.6	172.1	-65.3	164.9	0	0	0	110.1	I82 Y83 R84 D88 N89 E90 L134 L141 L142	I82-I86 HydrophobicContact CG2-CD1 4.02Å; I82-I86 WeakPolarHBondContact O-CG1 3.25Å; I82-I86 PolarHBondContact O-N 2.8Å; Y83-I86 PolarHBondContact O-N 2.83Å; R84-I86 VanDerWaalsContact C-N 3.29Å; R84-I86 PolarHBondContact O-N 2.93Å; I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 2.87Å; I86-N89 WeakPolarHBondContact O-CB 3.4Å; I86-N89 PolarHBondContact O-N 2.79Å; I86-E90 HydrophobicContact CG2-CG 4.11Å; I86-E90 WeakPolarHBondContact O-CG 3.38Å; I86-E90 PolarHBondContact O-N 3.12Å; I86-L134 HydrophobicContact CG2-CD2 4.24Å; I86-L141 HydrophobicContact CG1-CD2 4.11Å; I86-L142 HydrophobicContact CD1-CD1 4.16Å; I86-L142 HydrophobicContact CD1-CD2 3.59Å; I86-L142 HydrophobicContact CD1-CG 3.88Å
87	L	87.1	Confident	80.5	Confident	63 Å²	63	60.2 Å²	60.2	33%	0.33	29%	0.287	S	S	.	.	H	α-helix	trans	-59.5	-42.3	174.5	-71.7	176.9	0	0	0	112.1	Y83 R84 N89 E90 L91	Y83-L87 HydrophobicContact CD1-CD1 4.04Å; Y83-L87 HydrophobicContact CE1-CD1 3.47Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.47Å; Y83-L87 HydrophobicContact CE1-CG 4.14Å; Y83-L87 PolarHBondContact O-N 2.81Å; R84-L87 WeakPolarHBondContact O-CB 3.45Å; R84-L87 PolarHBondContact O-N 2.68Å; L87-N89 PolarHBondContact O-N 2.89Å; L87-E90 PolarHBondContact O-N 3.26Å; L87-L91 HydrophobicContact CB-CD1 4.43Å; L87-L91 HydrophobicContact CD2-CD1 4.19Å; L87-L91 VanDerWaalsContact O-CB 3.25Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 WeakPolarHBondContact O-CG 3.38Å; L87-L91 PolarHBondContact O-N 3.08Å
88	D	81.6	Confident	81	Confident	36 Å²	36	59.7 Å²	59.7	19%	0.193	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-29.9	175.3	-75.7	-36.2	0	0	0	111.8	Y56 R84 A85 I86 L92 N93 T94 I96	Y56-D88 PolarHBondContact OH-OD1 2.84Å; Y56-D88 VanDerWaalsContact OH-OD1 3.09Å; R84-D88 PolarHBondContact O-N 2.88Å; A85-D88 PolarHBondContact O-N 2.99Å; I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 2.87Å; D88-L92 CarbonylContact O-C 3.59Å; D88-L92 VanDerWaalsContact O-C 3.3Å; D88-L92 WeakPolarHBondContact O-CA 3.48Å; D88-L92 WeakPolarHBondContact O-CB 3.32Å; D88-L92 PolarHBondContact O-N 2.96Å; D88-N93 PolarHBondContact O-N 2.73Å; D88-T94 HydrophobicContact CB-CG2 4.02Å; D88-T94 WeakPolarHBondContact CB-OG1 3.49Å; D88-T94 WeakPolarHBondContact O-CG2 3.25Å; D88-T94 PolarHBondContact O-N 2.92Å; D88-T94 VanDerWaalsContact O-N 3.16Å; D88-T94 PolarHBondContact O-OG1 2.81Å; D88-I96 HydrophobicContact CB-CD1 4.18Å
89	N	84.1	Confident	81.3	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-75.3	-47.7	173.3	-78.7	-19.6	0	0	0	112.2	A85 I86 L87 N93 T94 K95 I96 S138	A85-N89 PolarHBondContact O-N 2.88Å; I86-N89 WeakPolarHBondContact O-CB 3.4Å; I86-N89 PolarHBondContact O-N 2.79Å; L87-N89 PolarHBondContact O-N 2.89Å; N89-N93 VanDerWaalsContact O-CA 3.25Å; N89-N93 WeakPolarHBondContact O-CA 3.3Å; N89-N93 PolarHBondContact O-N 3.49Å; N89-N93 VanDerWaalsContact O-N 3.09Å; N89-T94 PolarHBondContact N-OG1 3.43Å; N89-T94 PolarHBondContact OD1-OG1 3.46Å; N89-T94 VanDerWaalsContact OD1-OG1 3.1Å; N89-K95 WeakPolarHBondContact OD1-CA 3.49Å; N89-K95 PolarHBondContact OD1-N 3.35Å; N89-I96 PolarHBondContact ND2-O 2.87Å; N89-I96 PolarHBondContact OD1-N 2.81Å; N89-S138 WeakPolarHBondContact CB-OG 3.46Å; N89-S138 PolarHBondContact ND2-N 3.41Å; N89-S138 PolarHBondContact ND2-OG 3.45Å
90	E	85.2	Confident	81.1	Confident	69 Å²	69	61.2 Å²	61.2	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-77.4	-34	-172.8	-60.3	-46.6	132.1	0	0	112.9	I86 L87 L134 S135 S138	I86-E90 HydrophobicContact CG2-CG 4.11Å; I86-E90 WeakPolarHBondContact O-CG 3.38Å; I86-E90 PolarHBondContact O-N 3.12Å; L87-E90 PolarHBondContact O-N 3.26Å; E90-L134 HydrophobicContact CG-CD2 4.05Å; E90-S135 VanDerWaalsContact OE1-CB 3.28Å; E90-S135 WeakPolarHBondContact OE1-CB 3.44Å; E90-S135 PolarHBondContact OE1-N 3.15Å; E90-S135 PolarHBondContact OE1-OG 2.91Å; E90-S135 PolarHBondContact OE2-N 3.18Å; E90-S135 VanDerWaalsContact OE2-N 3.11Å; E90-S138 WeakPolarHBondContact OE1-CB 3.26Å; E90-S138 PolarHBondContact OE1-OG 2.8Å
91	L	81.8	Confident	80.6	Confident	122 Å²	122	56.4 Å²	56.4	64%	0.639	27%	0.269	S	S	*	.	H	α-helix	trans	-95.3	-27	-178	-60.8	176.2	0	0	0	113.2	L87	L87-L91 HydrophobicContact CB-CD1 4.43Å; L87-L91 HydrophobicContact CD2-CD1 4.19Å; L87-L91 VanDerWaalsContact O-CB 3.25Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 WeakPolarHBondContact O-CG 3.38Å; L87-L91 PolarHBondContact O-N 3.08Å
92	L	74.9	Confident	80	Confident	36 Å²	36	54 Å²	54	19%	0.188	26%	0.258	C	S	.	.	H	α-helix	trans	-133	7.4	-167	-57.9	169.3	0	0	0	113.5	E52 Y56 D88 T94	E52-L92 HydrophobicContact CG-CD2 4.37Å; Y56-L92 HydrophobicContact CE1-CD1 4.33Å; Y56-L92 HydrophobicContact CE2-CB 3.75Å; Y56-L92 HydrophobicContact CE2-CD1 3.8Å; Y56-L92 HydrophobicContact CE2-CD2 4.38Å; Y56-L92 HydrophobicContact CE2-CG 4.17Å; Y56-L92 VanDerWaalsContact CZ-CD1 3.45Å; Y56-L92 WeakPolarHBondContact OH-CB 3.29Å; Y56-L92 WeakPolarHBondContact OH-CD1 3.35Å; D88-L92 CarbonylContact O-C 3.59Å; D88-L92 VanDerWaalsContact O-C 3.3Å; D88-L92 WeakPolarHBondContact O-CA 3.48Å; D88-L92 WeakPolarHBondContact O-CB 3.32Å; D88-L92 PolarHBondContact O-N 2.96Å; L92-T94 HydrophobicContact CB-CG2 4.27Å; L92-T94 PolarHBondContact O-N 2.76Å
93	N	75.6	Confident	78.9	Confident	38 Å²	38	55.1 Å²	55.1	20%	0.203	28%	0.276	C	S	.	.			trans	49.5	38	173.6	-160.7	20.6	0	0	0	114.2	D88 N89 K95 D123	D88-N93 PolarHBondContact O-N 2.73Å; N89-N93 VanDerWaalsContact O-CA 3.25Å; N89-N93 WeakPolarHBondContact O-CA 3.3Å; N89-N93 PolarHBondContact O-N 3.49Å; N89-N93 VanDerWaalsContact O-N 3.09Å; N93-K95 PolarHBondContact O-N 3.18Å; N93-K95 VanDerWaalsContact OD1-CE 3.3Å; N93-K95 WeakPolarHBondContact OD1-CE 3.19Å; N93-D123 PolarHBondContact ND2-OD2 2.75Å
94	T	74.3	Confident	77.6	Confident	10 Å²	10	52.8 Å²	52.8	6%	0.061	27%	0.273	C	S	.	.			trans	-70.1	-16.2	-175.8	53.8	0	0	0	0	114.4	Y56 D88 N89 L92 I96 P107	Y56-T94 HydrophobicContact CE2-CG2 4.04Å; Y56-T94 WeakPolarHBondContact OH-CG2 3.36Å; D88-T94 HydrophobicContact CB-CG2 4.02Å; D88-T94 WeakPolarHBondContact CB-OG1 3.49Å; D88-T94 WeakPolarHBondContact O-CG2 3.25Å; D88-T94 PolarHBondContact O-N 2.92Å; D88-T94 VanDerWaalsContact O-N 3.16Å; D88-T94 PolarHBondContact O-OG1 2.81Å; N89-T94 PolarHBondContact N-OG1 3.43Å; N89-T94 PolarHBondContact OD1-OG1 3.46Å; N89-T94 VanDerWaalsContact OD1-OG1 3.1Å; L92-T94 HydrophobicContact CB-CG2 4.27Å; L92-T94 PolarHBondContact O-N 2.76Å; T94-I96 VanDerWaalsContact C-N 3.31Å; T94-I96 PolarHBondContact O-N 3.14Å; T94-I96 WeakPolarHBondContact OG1-CD1 3.32Å; T94-P107 HydrophobicContact CG2-CG 4.31Å; T94-P107 WeakPolarHBondContact O-CB 3.4Å
95	K	80.1	Confident	76.1	Confident	78 Å²	78	48.9 Å²	48.9	34%	0.339	27%	0.272	S	S	.	.			trans	57.2	38.6	177.1	-60.4	176.8	-177.7	-177.4	0	113.6	N89 N93 D97 A109 D123	N89-K95 WeakPolarHBondContact OD1-CA 3.49Å; N89-K95 PolarHBondContact OD1-N 3.35Å; N93-K95 PolarHBondContact O-N 3.18Å; N93-K95 VanDerWaalsContact OD1-CE 3.3Å; N93-K95 WeakPolarHBondContact OD1-CE 3.19Å; K95-D97 PolarHBondContact O-N 2.94Å; K95-A109 HydrophobicContact CB-CB 4.25Å; K95-A109 HydrophobicContact CD-CB 4.07Å; K95-D123 IonicContact NZ-OD1 3.07Å; K95-D123 PolarHBondContact NZ-OD1 2.74Å
96	I	80.6	Confident	74.5	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.067	30%	0.295	C	S	.	.			trans	-71.2	111.5	170.8	-57.9	166.1	0	0	0	108	A85 D88 N89 T94 E101 I102 L141	A85-I96 HydrophobicContact CB-CD1 4.07Å; A85-I96 HydrophobicContact CB-CG2 4.22Å; D88-I96 HydrophobicContact CB-CD1 4.18Å; N89-I96 PolarHBondContact ND2-O 2.87Å; N89-I96 PolarHBondContact OD1-N 2.81Å; T94-I96 VanDerWaalsContact C-N 3.31Å; T94-I96 PolarHBondContact O-N 3.14Å; T94-I96 WeakPolarHBondContact OG1-CD1 3.32Å; I96-E101 HydrophobicContact CG2-CB 4.24Å; I96-I102 HydrophobicContact CG2-CG1 4.22Å; I96-L141 HydrophobicContact CG2-CD1 4.38Å; I96-L141 HydrophobicContact CG2-CD2 4.4Å
97	D	83.1	Confident	72.8	Confident	46 Å²	46	52.3 Å²	52.3	25%	0.246	29%	0.294	C	S	.	.			trans	-114.5	-2	-177.1	66.7	-4.4	0	0	0	114.1	K95 K108 R140 T144	K95-D97 PolarHBondContact O-N 2.94Å; D97-K108 IonicContact OD1-NZ 3.25Å; D97-R140 HydrophobicContact CB-CB 4.14Å; D97-T144 PolarHBondContact O-OG1 2.91Å
98	N	79	Confident	71.1	Confident	53 Å²	53	56.6 Å²	56.6	28%	0.283	31%	0.31	S	S	.	.	S	Bend	trans	-137.5	140.4	-179.9	-167	-36.7	0	0	0	111.5	N100 E101 L141	N98-N100 PolarHBondContact O-N 3.33Å; N98-N100 PolarHBondContact OD1-N 3.23Å; N98-E101 HydrophobicContact CB-CG 4.24Å; N98-E101 WeakPolarHBondContact O-CB 3.31Å; N98-E101 PolarHBondContact O-N 2.6Å; N98-L141 VanDerWaalsContact C-CD1 3.46Å
99	I	76.1	Confident	69.7	Low	39 Å²	39	57.3 Å²	57.3	20%	0.2	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-59.8	-34.1	178.8	-60.8	164.8	0	0	0	111.8	E101 I102 L141 T144 V146	I99-E101 PolarHBondContact O-N 3.33Å; I99-E101 VanDerWaalsContact O-N 3.14Å; I99-I102 HydrophobicContact CB-CD1 4.4Å; I99-I102 HydrophobicContact CG2-CD1 4.15Å; I99-I102 WeakPolarHBondContact O-CB 3.29Å; I99-I102 WeakPolarHBondContact O-CG1 3.39Å; I99-I102 PolarHBondContact O-N 2.88Å; I99-I102 VanDerWaalsContact O-N 3.13Å; I99-L141 HydrophobicContact CG1-CD1 3.95Å; I99-T144 HydrophobicContact CD1-CG2 3.89Å; I99-T144 HydrophobicContact CG1-CG2 4.14Å; I99-V146 HydrophobicContact CD1-CB 4.45Å; I99-V146 HydrophobicContact CD1-CG2 3.48Å; I99-V146 VanDerWaalsContact CD1-CG2 3.48Å
100	N	73	Confident	68.2	Low	118 Å²	118	60.9 Å²	60.9	63%	0.631	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.3	-12.6	178.1	-64.7	-31.7	0	0	0	113.2	N98	N98-N100 PolarHBondContact O-N 3.33Å; N98-N100 PolarHBondContact OD1-N 3.23Å
101	E	68.3	Low	66.6	Low	21 Å²	21	60.4 Å²	60.4	10%	0.098	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-92	-11.9	177.4	-65.9	172.1	-147	0	0	113.1	I96 N98 I99 G103 L104 K108	I96-E101 HydrophobicContact CG2-CB 4.24Å; N98-E101 HydrophobicContact CB-CG 4.24Å; N98-E101 WeakPolarHBondContact O-CB 3.31Å; N98-E101 PolarHBondContact O-N 2.6Å; I99-E101 PolarHBondContact O-N 3.33Å; I99-E101 VanDerWaalsContact O-N 3.14Å; E101-G103 PolarHBondContact O-N 3.45Å; E101-L104 HydrophobicContact CB-CD1 4.04Å; E101-L104 HydrophobicContact CG-CD1 3.93Å; E101-L104 WeakPolarHBondContact O-CB 3.18Å; E101-L104 PolarHBondContact O-N 3.33Å; E101-L104 VanDerWaalsContact O-N 3.12Å; E101-K108 VanDerWaalsContact CD-CE 3.45Å; E101-K108 WeakPolarHBondContact OE1-CE 3.4Å; E101-K108 IonicContact OE1-NZ 2.75Å; E101-K108 PolarHBondContact OE1-NZ 3.47Å; E101-K108 WeakPolarHBondContact OE2-CD 3.26Å; E101-K108 IonicContact OE2-NZ 2.76Å
102	I	67.1	Low	65.3	Low	16 Å²	16	67.2 Å²	67.2	8%	0.082	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	121.1	178.1	-51.1	174.2	0	0	0	108.5	M81 I82 A85 I96 I99 L141	M81-I102 HydrophobicContact CB-CG2 4.04Å; M81-I102 HydrophobicContact CE-CG2 3.92Å; I82-I102 HydrophobicContact CG1-CD1 3.91Å; A85-I102 HydrophobicContact CB-CD1 4.05Å; A85-I102 HydrophobicContact CB-CG1 3.88Å; A85-I102 HydrophobicContact CB-CG2 4.21Å; I96-I102 HydrophobicContact CG2-CG1 4.22Å; I99-I102 HydrophobicContact CB-CD1 4.4Å; I99-I102 HydrophobicContact CG2-CD1 4.15Å; I99-I102 WeakPolarHBondContact O-CB 3.29Å; I99-I102 WeakPolarHBondContact O-CG1 3.39Å; I99-I102 PolarHBondContact O-N 2.88Å; I99-I102 VanDerWaalsContact O-N 3.13Å; I102-L141 HydrophobicContact CD1-CD1 4.33Å
103	G	61	Low	64.8	Low	52 Å²	52	68.1 Å²	68.1	54%	0.536	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	1	-178.5	0	0	0	0	0	115.2	E101 S105	E101-G103 PolarHBondContact O-N 3.45Å; G103-S105 PolarHBondContact O-N 3.08Å
104	L	59.7	Low	64.5	Low	100 Å²	100	69.5 Å²	69.5	52%	0.524	37%	0.37	S	S	.	.			trans	-64.6	132.5	163.2	-71.2	174.1	0	0	0	108.7	E101 T106	E101-L104 HydrophobicContact CB-CD1 4.04Å; E101-L104 HydrophobicContact CG-CD1 3.93Å; E101-L104 WeakPolarHBondContact O-CB 3.18Å; E101-L104 PolarHBondContact O-N 3.33Å; E101-L104 VanDerWaalsContact O-N 3.12Å; L104-T106 PolarHBondContact O-N 2.88Å
105	S	53	Low	64.4	Low	86 Å²	86	74.5 Å²	74.5	60%	0.601	39%	0.389	S	S	*	.	S	Bend	trans	-60.3	-13.2	-178.4	48.8	0	0	0	0	113.5	G103 R110	G103-S105 PolarHBondContact O-N 3.08Å; S105-R110 PolarHBondContact O-NH1 2.98Å
106	T	50.2	Low	63.8	Low	80 Å²	80	72.7 Å²	72.7	49%	0.491	38%	0.383	S	S	.	.	S	Bend	trans	-145.5	104.5	-177.3	51.2	0	0	0	0	111.3	L104	L104-T106 PolarHBondContact O-N 2.88Å
107	P	52.4	Low	63.4	Low	18 Å²	18	75.4 Å²	75.4	12%	0.117	39%	0.394	C	S	.	.			trans	-55.3	148.1	165.3	9.9	-26.4	0	0	0	112.6	T94 A109 R110	T94-P107 HydrophobicContact CG2-CG 4.31Å; T94-P107 WeakPolarHBondContact O-CB 3.4Å; P107-A109 PolarHBondContact O-N 2.84Å; P107-R110 VanDerWaalsContact CD-NE 3.31Å; P107-R110 VanDerWaalsContact CD-NH2 3.34Å; P107-R110 HydrophobicContact CG-CG 4.03Å; P107-R110 VanDerWaalsContact CG-NE 3.31Å; P107-R110 PolarHBondContact O-N 2.83Å
108	K	52.9	Low	62.7	Low	152 Å²	152	76.6 Å²	76.6	66%	0.661	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.8	-175.5	-73.9	174.4	169.9	165.8	0	114.9	D97 E101	D97-K108 IonicContact OD1-NZ 3.25Å; E101-K108 VanDerWaalsContact CD-CE 3.45Å; E101-K108 WeakPolarHBondContact OE1-CE 3.4Å; E101-K108 IonicContact OE1-NZ 2.75Å; E101-K108 PolarHBondContact OE1-NZ 3.47Å; E101-K108 WeakPolarHBondContact OE2-CD 3.26Å; E101-K108 IonicContact OE2-NZ 2.76Å
109	A	51.2	Low	61.9	Low	51 Å²	51	76.5 Å²	76.5	42%	0.421	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.7	-173.5	0	0	0	0	0	115.3	K95 P107 P111	K95-A109 HydrophobicContact CB-CB 4.25Å; K95-A109 HydrophobicContact CD-CB 4.07Å; P107-A109 PolarHBondContact O-N 2.84Å; A109-P111 VanDerWaalsContact O-CD 3.22Å; A109-P111 WeakPolarHBondContact O-CD 3.44Å
110	R	53.5	Low	61.3	Low	81 Å²	81	76.2 Å²	76.2	31%	0.306	41%	0.412	S	S	.	.			trans	-81.4	120.5	-169.2	-72.8	-171.7	173.9	173.8	11.1	114.5	E60 S105 P107	E60-R110 IonicContact OE1-NH1 3.16Å; E60-R110 PolarHBondContact OE1-NH1 2.89Å; S105-R110 PolarHBondContact O-NH1 2.98Å; P107-R110 VanDerWaalsContact CD-NE 3.31Å; P107-R110 VanDerWaalsContact CD-NH2 3.34Å; P107-R110 HydrophobicContact CG-CG 4.03Å; P107-R110 VanDerWaalsContact CG-NE 3.31Å; P107-R110 PolarHBondContact O-N 2.83Å
111	P	51.5	Low	60.7	Low	58 Å²	58	75.4 Å²	75.4	38%	0.377	41%	0.413	S	S	.	.			trans	-69.1	130.4	151.9	27.7	-28.8	0	0	0	108.8	A109 S113	A109-P111 VanDerWaalsContact O-CD 3.22Å; A109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-S113 PolarHBondContact O-N 3.19Å
112	R	54.9	Low	60.3	Low	265 Å²	265	78.6 Å²	78.6	100%	1	44%	0.435	S	S	*	.	S	Bend	trans	-64.7	-2.5	-179.8	-70.8	-178.2	176	165.6	-1.3	114.5
113	S	63.7	Low	60	Low	55 Å²	55	81 Å²	81	39%	0.385	45%	0.449	S	S	.	.	S	Bend	trans	-125.7	138.5	-173	171.3	0	0	0	0	109.5	P111 Y115	P111-S113 PolarHBondContact O-N 3.19Å; S113-Y115 VanDerWaalsContact CB-O 3.23Å; S113-Y115 WeakPolarHBondContact CB-O 3.14Å; S113-Y115 PolarHBondContact O-N 3.02Å; S113-Y115 PolarHBondContact OG-N 3.13Å; S113-Y115 PolarHBondContact OG-O 3.07Å
114	I	69.5	Low	59.9	Low	68 Å²	68	83.4 Å²	83.4	35%	0.349	45%	0.452	S	S	.	.	S	Bend	trans	-54.3	-39.3	171.7	-62.8	171.9	0	0	0	109.4	R53 I54	R53-I114 VanDerWaalsContact CD-O 3.25Å; R53-I114 WeakPolarHBondContact CD-O 3.48Å; R53-I114 PolarHBondContact NH1-O 2.89Å; I54-I114 HydrophobicContact CG1-CG2 4.01Å
115	Y	70.9	Confident	59.8	Low	114 Å²	114	83.7 Å²	83.7	45%	0.447	45%	0.446	S	S	.	.	S	Bend	trans	-96.8	131.2	178.7	-53.4	-64.9	0	0	0	111	P43 W50 S113	P43-Y115 HydrophobicContact CB-CD1 4.09Å; P43-Y115 HydrophobicContact CB-CG 4.43Å; P43-Y115 HydrophobicContact CG-CD1 4.08Å; P43-Y115 HydrophobicContact CG-CG 4.25Å; W50-Y115 HydrophobicContact CE3-CE1 4.48Å; W50-Y115 HydrophobicContact CH2-CD1 4.22Å; W50-Y115 HydrophobicContact CH2-CE1 4.2Å; W50-Y115 HydrophobicContact CZ2-CD1 4.18Å; W50-Y115 HydrophobicContact CZ3-CE1 4.15Å; S113-Y115 VanDerWaalsContact CB-O 3.23Å; S113-Y115 WeakPolarHBondContact CB-O 3.14Å; S113-Y115 PolarHBondContact O-N 3.02Å; S113-Y115 PolarHBondContact OG-N 3.13Å; S113-Y115 PolarHBondContact OG-O 3.07Å
116	D	68.8	Low	60.2	Low	40 Å²	40	87.6 Å²	87.6	21%	0.214	45%	0.449	C	S	.	.			trans	-112.9	138.5	170.3	-168.8	-0.5	0	0	0	108.8	P43 R44 S118	P43-D116 CarbonylContact C-O 3.53Å; R44-D116 WeakPolarHBondContact CB-O 3.44Å; R44-D116 PolarHBondContact N-O 2.84Å; D116-S118 PolarHBondContact OD1-N 2.81Å
117	F	71.6	Confident	60.9	Low	71 Å²	71	86.5 Å²	86.5	31%	0.311	44%	0.444	S	S	.	.			trans	-113.9	-4.1	-177	-61.9	-88.8	0	0	0	111.6	D39 R40 P43	D39-F117 WeakPolarHBondContact O-CB 3.48Å; D39-F117 WeakPolarHBondContact O-CD1 3.32Å; R40-F117 VanDerWaalsContact O-CD1 3.22Å; R40-F117 WeakPolarHBondContact O-CD1 3.27Å; R40-F117 VanDerWaalsContact O-CE1 3.26Å; R40-F117 WeakPolarHBondContact O-CE1 3.43Å; P43-F117 HydrophobicContact CB-CD1 4.49Å; P43-F117 HydrophobicContact CB-CE1 4.09Å; P43-F117 HydrophobicContact CB-CZ 4.42Å; P43-F117 HydrophobicContact CG-CD1 4.37Å; P43-F117 HydrophobicContact CG-CE1 3.55Å; P43-F117 HydrophobicContact CG-CZ 3.82Å
118	S	68.1	Low	61.7	Low	70 Å²	70	90.5 Å²	90.5	49%	0.49	47%	0.47	S	S	.	.	S	Bend	trans	-91.7	147.8	-178	-58.5	0	0	0	0	111.9	D116 A120	D116-S118 PolarHBondContact OD1-N 2.81Å; S118-A120 PolarHBondContact O-N 2.51Å
119	P	62.7	Low	62.8	Low	52 Å²	52	93.4 Å²	93.4	34%	0.338	48%	0.479	S	S	.	.			trans	-63.3	131.3	164.9	22.5	-24.8	0	0	0	108.8	Y35	Y35-P119 WeakPolarHBondContact O-CB 3.47Å; Y35-P119 WeakPolarHBondContact O-CG 3.19Å
120	A	62.5	Low	63.8	Low	33 Å²	33	92.9 Å²	92.9	27%	0.273	47%	0.472	S	S	.	.			trans	-107.7	142.8	-176.3	0	0	0	0	0	109.4	R44 S118	R44-A120 PolarHBondContact NH1-O 2.79Å; S118-A120 PolarHBondContact O-N 2.51Å
121	P	60.7	Low	65	Low	101 Å²	101	99.3 Å²	99.3	66%	0.656	50%	0.503	S	S	*	.			trans	-60.4	157	175.5	25.8	-33.3	0	0	0	111.2	D123	P121-D123 PolarHBondContact O-N 3.21Å
122	P	60.4	Low	66.5	Low	87 Å²	87	98.7 Å²	98.7	57%	0.565	50%	0.5	S	S	*	.			trans	-57.7	124.5	173.1	23.7	-31.8	0	0	0	109.8	V124	P122-V124 PolarHBondContact O-N 3.37Å
123	D	60.6	Low	67.9	Low	68 Å²	68	90.8 Å²	90.8	36%	0.364	48%	0.483	S	S	.	.			trans	-79.9	101.9	178.9	-162.4	28.3	0	0	0	108.7	N93 K95 P121 R125	N93-D123 PolarHBondContact ND2-OD2 2.75Å; K95-D123 IonicContact NZ-OD1 3.07Å; K95-D123 PolarHBondContact NZ-OD1 2.74Å; P121-D123 PolarHBondContact O-N 3.21Å; D123-R125 HydrophobicContact CB-CG 4.43Å; D123-R125 PolarHBondContact O-N 2.92Å; D123-R125 VanDerWaalsContact OD2-CG 3.31Å; D123-R125 WeakPolarHBondContact OD2-CG 3.25Å; D123-R125 IonicContact OD2-CZ 2.66Å; D123-R125 IonicContact OD2-NE 2.81Å; D123-R125 PolarHBondContact OD2-NE 2.84Å; D123-R125 IonicContact OD2-NH2 2.67Å
124	V	59.5	Low	68.9	Low	101 Å²	101	90.7 Å²	90.7	61%	0.612	48%	0.478	S	S	*	.			trans	-79.5	77.5	176.4	-172	0	0	0	0	108	P122 Y126	P122-V124 PolarHBondContact O-N 3.37Å; V124-Y126 VanDerWaalsContact C-N 3.27Å; V124-Y126 WeakPolarHBondContact CG1-O 3.34Å
125	R	57.7	Low	69.7	Low	106 Å²	106	88.2 Å²	88.2	40%	0.4	47%	0.466	S	S	.	.			trans	-70.8	-27.3	176.1	-63.6	-165.9	-164.1	162.3	16.4	112.6	E48 D123	E48-R125 IonicContact OE2-CZ 3.52Å; E48-R125 IonicContact OE2-NH1 3.56Å; E48-R125 PolarHBondContact OE2-NH1 2.77Å; E48-R125 IonicContact OE2-NH2 2.74Å; E48-R125 PolarHBondContact OE2-NH2 2.75Å; D123-R125 HydrophobicContact CB-CG 4.43Å; D123-R125 PolarHBondContact O-N 2.92Å; D123-R125 VanDerWaalsContact OD2-CG 3.31Å; D123-R125 WeakPolarHBondContact OD2-CG 3.25Å; D123-R125 IonicContact OD2-CZ 2.66Å; D123-R125 IonicContact OD2-NE 2.81Å; D123-R125 PolarHBondContact OD2-NE 2.84Å; D123-R125 IonicContact OD2-NH2 2.67Å
126	Y	61.6	Low	70.4	Confident	168 Å²	168	84.3 Å²	84.3	66%	0.659	46%	0.455	S	S	*	.			trans	-115.7	120.8	-175.1	-128	-99.5	0	0	0	110.1	V124 P128	V124-Y126 VanDerWaalsContact C-N 3.27Å; V124-Y126 WeakPolarHBondContact CG1-O 3.34Å; Y126-P128 WeakPolarHBondContact O-CD 3.38Å
127	C	64.6	Low	71.1	Confident	58 Å²	58	83.4 Å²	83.4	39%	0.392	45%	0.452	S	S	.	.			trans	-87.1	108	162.6	-93.8	0	0	0	0	107.5	Y129 S130 P136	C127-Y129 PolarHBondContact O-N 3.09Å; C127-S130 WeakPolarHBondContact O-CB 3.29Å; C127-S130 PolarHBondContact O-N 3.4Å; C127-P136 HydrophobicContact CB-CG 4.35Å
128	P	69	Low	71.9	Confident	102 Å²	102	80 Å²	80	66%	0.662	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.2	-174.9	24.7	-33.9	0	0	0	114	Y126	Y126-P128 WeakPolarHBondContact O-CD 3.38Å
129	Y	74.8	Confident	72.8	Confident	212 Å²	212	78.2 Å²	78.2	83%	0.831	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.9	178.5	-51.7	-70.9	0	0	0	113.8	C127	C127-Y129 PolarHBondContact O-N 3.09Å
130	S	72.9	Confident	73.9	Confident	41 Å²	41	83 Å²	83	29%	0.287	43%	0.433	S	S	.	.			trans	-82.8	124.3	176.2	179.5	0	0	0	0	110	C127 S132	C127-S130 WeakPolarHBondContact O-CB 3.29Å; C127-S130 PolarHBondContact O-N 3.4Å; S130-S132 PolarHBondContact O-N 2.65Å; S130-S132 PolarHBondContact OG-N 3.32Å; S130-S132 VanDerWaalsContact OG-N 3.15Å; S130-S132 PolarHBondContact OG-O 2.87Å
131	F	79.5	Confident	75.1	Confident	215 Å²	215	81.5 Å²	81.5	94%	0.943	42%	0.42	S	S	*	.	S	Bend	trans	-73.6	-12.9	168.8	-67.6	-78.6	0	0	0	112.9
132	S	81.9	Confident	76.3	Confident	45 Å²	45	81.3 Å²	81.3	32%	0.315	41%	0.413	S	S	.	.	S	Bend	trans	-90.4	136.2	176	-177.5	0	0	0	0	110.1	S130 L134	S130-S132 PolarHBondContact O-N 2.65Å; S130-S132 PolarHBondContact OG-N 3.32Å; S130-S132 VanDerWaalsContact OG-N 3.15Å; S130-S132 PolarHBondContact OG-O 2.87Å; S132-L134 PolarHBondContact O-N 3.18Å; S132-L134 PolarHBondContact OG-N 2.96Å
133	P	84.4	Confident	77.5	Confident	100 Å²	100	86.8 Å²	86.8	65%	0.649	42%	0.423	S	S	*	.	S	Bend	trans	-71.6	-6.5	174.5	31.6	-36.4	0	0	0	113.2
134	L	85.8	Confident	78.5	Confident	53 Å²	53	85 Å²	85	28%	0.277	41%	0.414	S	S	.	.	S	Bend	trans	-75.9	148.1	-179.8	-62.3	176.9	0	0	0	111.9	I86 E90 S132 I139 L142	I86-L134 HydrophobicContact CG2-CD2 4.24Å; E90-L134 HydrophobicContact CG-CD2 4.05Å; S132-L134 PolarHBondContact O-N 3.18Å; S132-L134 PolarHBondContact OG-N 2.96Å; L134-I139 HydrophobicContact CB-CG1 4.07Å; L134-I139 WeakPolarHBondContact O-CD1 3.47Å; L134-L142 HydrophobicContact CD1-CD1 3.64Å
135	S	85.3	Confident	79.2	Confident	16 Å²	16	85.9 Å²	85.9	11%	0.112	42%	0.422	C	S	.	.			trans	-60.7	154.5	174.7	69.3	0	0	0	0	112.8	E90 S137 S138 I139	E90-S135 VanDerWaalsContact OE1-CB 3.28Å; E90-S135 WeakPolarHBondContact OE1-CB 3.44Å; E90-S135 PolarHBondContact OE1-N 3.15Å; E90-S135 PolarHBondContact OE1-OG 2.91Å; E90-S135 PolarHBondContact OE2-N 3.18Å; E90-S135 VanDerWaalsContact OE2-N 3.11Å; S135-S137 PolarHBondContact O-N 3Å; S135-S137 VanDerWaalsContact O-N 3.16Å; S135-S138 PolarHBondContact O-N 3.37Å; S135-S138 VanDerWaalsContact O-N 3.13Å; S135-S138 PolarHBondContact OG-N 2.92Å; S135-S138 PolarHBondContact OG-OG 2.84Å; S135-I139 WeakPolarHBondContact O-CG1 3.31Å; S135-I139 PolarHBondContact O-N 2.84Å
136	P	85.4	Confident	79.6	Confident	32 Å²	32	85.2 Å²	85.2	21%	0.208	43%	0.429	C	S	.	.	H	α-helix	trans	-55.6	-33.3	176.3	-27.1	35.4	0	0	0	113.8	C127 R140	C127-P136 HydrophobicContact CB-CG 4.35Å; P136-R140 VanDerWaalsContact O-CG 3.28Å; P136-R140 WeakPolarHBondContact O-CG 3.44Å; P136-R140 PolarHBondContact O-N 2.84Å
137	S	84.5	Confident	79.8	Confident	21 Å²	21	85.7 Å²	85.7	15%	0.147	44%	0.435	C	S	.	.	H	α-helix	trans	-67.8	-45.6	177.6	-55.3	0	0	0	0	111.5	S135 I139 R140 L141	S135-S137 PolarHBondContact O-N 3Å; S135-S137 VanDerWaalsContact O-N 3.16Å; S137-I139 VanDerWaalsContact C-N 3.35Å; S137-I139 PolarHBondContact O-N 2.81Å; S137-R140 PolarHBondContact O-N 3.47Å; S137-L141 WeakPolarHBondContact O-CB 3.18Å; S137-L141 PolarHBondContact O-N 3.21Å
138	S	87.7	Confident	79.7	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	46%	0.457	C	S	.	.	H	α-helix	trans	-64	-38.9	175.1	-65	0	0	0	0	112.5	N89 E90 S135 R140 L141 L142	N89-S138 WeakPolarHBondContact CB-OG 3.46Å; N89-S138 PolarHBondContact ND2-N 3.41Å; N89-S138 PolarHBondContact ND2-OG 3.45Å; E90-S138 WeakPolarHBondContact OE1-CB 3.26Å; E90-S138 PolarHBondContact OE1-OG 2.8Å; S135-S138 PolarHBondContact O-N 3.37Å; S135-S138 VanDerWaalsContact O-N 3.13Å; S135-S138 PolarHBondContact OG-N 2.92Å; S135-S138 PolarHBondContact OG-OG 2.84Å; S138-R140 VanDerWaalsContact C-N 3.35Å; S138-L141 PolarHBondContact O-N 3Å; S138-L142 WeakPolarHBondContact O-CB 3.5Å; S138-L142 WeakPolarHBondContact O-CG 3.28Å; S138-L142 PolarHBondContact O-N 2.92Å
139	I	87.1	Confident	79.5	Confident	32 Å²	32	88.4 Å²	88.4	16%	0.164	45%	0.45	C	S	.	.	H	α-helix	trans	-63.5	-42.2	174.7	-65.7	170.5	0	0	0	110.6	L134 S135 S137 L142 R143	L134-I139 HydrophobicContact CB-CG1 4.07Å; L134-I139 WeakPolarHBondContact O-CD1 3.47Å; S135-I139 WeakPolarHBondContact O-CG1 3.31Å; S135-I139 PolarHBondContact O-N 2.84Å; S137-I139 VanDerWaalsContact C-N 3.35Å; S137-I139 PolarHBondContact O-N 2.81Å; I139-L142 PolarHBondContact O-N 3.31Å; I139-R143 HydrophobicContact CG2-CG 4.43Å; I139-R143 WeakPolarHBondContact O-CB 3.47Å; I139-R143 VanDerWaalsContact O-CG 3.22Å; I139-R143 WeakPolarHBondContact O-CG 3.45Å; I139-R143 PolarHBondContact O-N 3.46Å
140	R	87	Confident	79.6	Confident	152 Å²	152	81.6 Å²	81.6	57%	0.574	42%	0.423	S	S	*	.	H	α-helix	trans	-64.2	-41.8	175	-74.7	175.8	-167.1	-178	4.6	112	D97 P136 S137 S138 R143 T144	D97-R140 HydrophobicContact CB-CB 4.14Å; P136-R140 VanDerWaalsContact O-CG 3.28Å; P136-R140 WeakPolarHBondContact O-CG 3.44Å; P136-R140 PolarHBondContact O-N 2.84Å; S137-R140 PolarHBondContact O-N 3.47Å; S138-R140 VanDerWaalsContact C-N 3.35Å; R140-R143 CarbonylContact O-C 3.3Å; R140-R143 PolarHBondContact O-N 3.49Å; R140-T144 PolarHBondContact O-N 2.77Å; R140-T144 PolarHBondContact O-OG1 2.88Å
141	L	86.9	Confident	79.9	Confident	2 Å²	2	85.1 Å²	85.1	1%	0.01	43%	0.433	C	S	.	.	H	α-helix	trans	-59.1	-49.5	176	-178.1	64	0	0	0	111	A85 I86 I96 N98 I99 I102 S137 S138 R143 T144	A85-L141 HydrophobicContact CB-CD2 3.71Å; I86-L141 HydrophobicContact CG1-CD2 4.11Å; I96-L141 HydrophobicContact CG2-CD1 4.38Å; I96-L141 HydrophobicContact CG2-CD2 4.4Å; N98-L141 VanDerWaalsContact C-CD1 3.46Å; I99-L141 HydrophobicContact CG1-CD1 3.95Å; I102-L141 HydrophobicContact CD1-CD1 4.33Å; S137-L141 WeakPolarHBondContact O-CB 3.18Å; S137-L141 PolarHBondContact O-N 3.21Å; S138-L141 PolarHBondContact O-N 3Å; L141-R143 VanDerWaalsContact C-N 3.27Å; L141-R143 PolarHBondContact O-N 3.06Å; L141-T144 VanDerWaalsContact O-CB 3.25Å; L141-T144 WeakPolarHBondContact O-CB 3.44Å; L141-T144 PolarHBondContact O-N 3.47Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-T144 PolarHBondContact O-OG1 3.31Å
142	L	86.6	Confident	80.3	Confident	97 Å²	97	75.6 Å²	75.6	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-28.8	177.6	-73.9	173.9	0	0	0	113.5	I82 I86 L134 S138 I139	I82-L142 HydrophobicContact CG2-CD2 4.38Å; I86-L142 HydrophobicContact CD1-CD1 4.16Å; I86-L142 HydrophobicContact CD1-CD2 3.59Å; I86-L142 HydrophobicContact CD1-CG 3.88Å; L134-L142 HydrophobicContact CD1-CD1 3.64Å; S138-L142 WeakPolarHBondContact O-CB 3.5Å; S138-L142 WeakPolarHBondContact O-CG 3.28Å; S138-L142 PolarHBondContact O-N 2.92Å; I139-L142 PolarHBondContact O-N 3.31Å
143	R	85.7	Confident	80.7	Confident	202 Å²	202	79.4 Å²	79.4	76%	0.762	41%	0.405	S	S	*	.	H	α-helix	trans	-86.8	-6	175.8	-72	178.5	-179.3	-163.4	1	113.4	I139 R140 L141	I139-R143 HydrophobicContact CG2-CG 4.43Å; I139-R143 WeakPolarHBondContact O-CB 3.47Å; I139-R143 VanDerWaalsContact O-CG 3.22Å; I139-R143 WeakPolarHBondContact O-CG 3.45Å; I139-R143 PolarHBondContact O-N 3.46Å; R140-R143 CarbonylContact O-C 3.3Å; R140-R143 PolarHBondContact O-N 3.49Å; L141-R143 VanDerWaalsContact C-N 3.27Å; L141-R143 PolarHBondContact O-N 3.06Å
144	T	81.7	Confident	81.1	Confident	29 Å²	29	79.5 Å²	79.5	18%	0.178	39%	0.392	C	S	.	.	S	Bend	trans	-64.9	124.4	178.9	-62.5	0	0	0	0	107.9	D97 I99 R140 L141 V146	D97-T144 PolarHBondContact O-OG1 2.91Å; I99-T144 HydrophobicContact CD1-CG2 3.89Å; I99-T144 HydrophobicContact CG1-CG2 4.14Å; R140-T144 PolarHBondContact O-N 2.77Å; R140-T144 PolarHBondContact O-OG1 2.88Å; L141-T144 VanDerWaalsContact O-CB 3.25Å; L141-T144 WeakPolarHBondContact O-CB 3.44Å; L141-T144 PolarHBondContact O-N 3.47Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-T144 PolarHBondContact O-OG1 3.31Å; T144-V146 PolarHBondContact O-N 3.2Å
145	P	72.3	Confident	81.5	Confident	121 Å²	121	82.3 Å²	82.3	79%	0.786	41%	0.411	S	S	*	.			trans	-63.1	109.9	-177.8	24	-32.5	0	0	0	109.8
146	V	67.7	Low	82	Confident	91 Å²	91	82.5 Å²	82.5	55%	0.552	41%	0.412	S	S	*	.			trans	-80	129	169.3	-169.4	0	0	0	0	106.9	I99 T144 P148	I99-V146 HydrophobicContact CD1-CB 4.45Å; I99-V146 HydrophobicContact CD1-CG2 3.48Å; I99-V146 VanDerWaalsContact CD1-CG2 3.48Å; T144-V146 PolarHBondContact O-N 3.2Å; V146-P148 WeakPolarHBondContact O-CD 3.44Å
147	K	64.5	Low	82.5	Confident	179 Å²	179	86.7 Å²	86.7	78%	0.778	43%	0.425	S	S	*	.			trans	-63.7	120.5	166.2	-73.2	-176.1	179.4	-179.3	0	107	T149	K147-T149 PolarHBondContact O-N 3.45Å
148	P	63.6	Low	83.1	Confident	131 Å²	131	88.8 Å²	88.8	85%	0.851	43%	0.431	S	S	*	.			trans	-58.8	114.2	179	23.7	-32.3	0	0	0	108.7	V146	V146-P148 WeakPolarHBondContact O-CD 3.44Å
149	T	65.4	Low	83.6	Confident	86 Å²	86	93 Å²	93	53%	0.528	45%	0.452	S	S	.	.			trans	-81.5	130.2	170.5	45.7	0	0	0	0	107.6	D75 K147 K151	D75-T149 PolarHBondContact OD1-OG1 2.84Å; K147-T149 PolarHBondContact O-N 3.45Å; T149-K151 PolarHBondContact O-N 3.17Å; T149-K151 VanDerWaalsContact O-N 3.17Å
150	R	76.1	Confident	84.2	Confident	68 Å²	68	93.4 Å²	93.4	26%	0.257	46%	0.455	S	S	.	.			trans	-67.2	113.9	173.8	-178.1	-176.8	83.3	-146.4	6.6	108.2	I152 E396 V455 T457	R150-I152 PolarHBondContact O-N 3.47Å; R150-E396 IonicContact CZ-OE1 2.87Å; R150-E396 IonicContact CZ-OE2 3.79Å; R150-E396 VanDerWaalsContact CZ-OE2 3.25Å; R150-E396 IonicContact NH1-OE1 2.78Å; R150-E396 PolarHBondContact NH1-OE1 3.13Å; R150-E396 VanDerWaalsContact NH1-OE1 3.13Å; R150-E396 IonicContact NH1-OE2 3.72Å; R150-E396 PolarHBondContact NH1-OE2 2.86Å; R150-E396 IonicContact NH2-OE1 2.85Å; R150-E396 PolarHBondContact NH2-OE1 3.31Å; R150-E396 IonicContact NH2-OE2 2.56Å; R150-E396 PolarHBondContact NH2-OE2 2.98Å; R150-V455 VanDerWaalsContact CZ-O 3.3Å; R150-V455 PolarHBondContact NE-O 2.91Å; R150-V455 PolarHBondContact NH2-O 3.47Å; R150-T457 WeakPolarHBondContact CD-OG1 3.5Å; R150-T457 HydrophobicContact CG-CG2 4.44Å
151	K	79.4	Confident	84.7	Confident	115 Å²	115	92.9 Å²	92.9	50%	0.5	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-72.4	121	173.8	-168.2	165	-169.8	160.2	0	109.9	D76 T149	D76-K151 IonicContact OD1-NZ 2.8Å; D76-K151 PolarHBondContact OD1-NZ 3.05Å; T149-K151 PolarHBondContact O-N 3.17Å; T149-K151 VanDerWaalsContact O-N 3.17Å
152	I	88.4	Confident	85.2	Confident	16 Å²	16	92.8 Å²	92.8	8%	0.082	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-98.3	125.6	172.4	-59.4	175.2	0	0	0	107.9	R150 R154 V410 I419 A420 L422	R150-I152 PolarHBondContact O-N 3.47Å; I152-R154 PolarHBondContact O-N 3.28Å; I152-V410 HydrophobicContact CD1-CB 4.34Å; I152-V410 HydrophobicContact CD1-CG1 4.17Å; I152-V410 HydrophobicContact CD1-CG2 4.21Å; I152-I419 HydrophobicContact CD1-CG2 3.95Å; I152-A420 HydrophobicContact CB-CB 4.26Å; I152-A420 HydrophobicContact CD1-CB 3.93Å; I152-A420 HydrophobicContact CG2-CB 4.4Å; I152-L422 HydrophobicContact CG2-CD2 4.06Å
153	H	90.1	Very high	85.7	Confident	124 Å²	124	91.7 Å²	91.7	57%	0.574	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-68.7	128.5	178.5	-69.5	-82.9	0	0	0	110.7
154	R	91.2	Very high	86.1	Confident	103 Å²	103	88 Å²	88	39%	0.389	45%	0.453	S	S	.	.	S	Bend	trans	-88.3	-2.6	-177.4	-63.5	-176.2	176.5	-157.4	-7.8	114.6	E73 D74 I152 W453	E73-R154 PolarHBondContact O-NH2 3.49Å; D74-R154 VanDerWaalsContact CG-CZ 3.43Å; D74-R154 IonicContact OD1-CZ 3.75Å; D74-R154 IonicContact OD1-NH1 3.82Å; D74-R154 PolarHBondContact OD1-NH1 3.48Å; D74-R154 IonicContact OD1-NH2 3.15Å; D74-R154 PolarHBondContact OD1-NH2 3.48Å; D74-R154 IonicContact OD2-CZ 2.74Å; D74-R154 IonicContact OD2-NH1 3.59Å; D74-R154 PolarHBondContact OD2-NH1 3Å; D74-R154 IonicContact OD2-NH2 3.32Å; I152-R154 PolarHBondContact O-N 3.28Å; R154-W453 WeakPolarHBondContact O-CZ3 3.27Å
155	V	94.3	Very high	86.9	Confident	111 Å²	111	87 Å²	87	67%	0.673	45%	0.446	S	S	*	.	S	Bend	trans	-112.2	134.3	177.7	-179.9	0	0	0	0	106.8
156	P	96.9	Very high	88.1	Confident	20 Å²	20	85.4 Å²	85.4	13%	0.13	43%	0.429	C	S	.	.			trans	-65	138.8	176.2	30.1	-34.6	0	0	0	109.3	K158 I159 R451 F452 W453	P156-K158 VanDerWaalsContact C-N 3.27Å; P156-K158 PolarHBondContact O-N 3.06Å; P156-I159 HydrophobicContact CB-CG1 4.24Å; P156-I159 HydrophobicContact CG-CD1 3.76Å; P156-I159 HydrophobicContact CG-CG1 3.73Å; P156-R451 HydrophobicContact CB-CB 3.97Å; P156-R451 HydrophobicContact CG-CB 4.39Å; P156-R451 HydrophobicContact CG-CG 4.49Å; P156-F452 CarbonylContact C-O 3.55Å; P156-F452 WeakPolarHBondContact CA-O 3.45Å; P156-F452 VanDerWaalsContact CB-O 3.27Å; P156-F452 WeakPolarHBondContact CB-O 3.41Å; P156-W453 HydrophobicContact CB-CD2 4.06Å; P156-W453 HydrophobicContact CB-CE3 3.99Å; P156-W453 HydrophobicContact CB-CH2 4.14Å; P156-W453 HydrophobicContact CB-CZ2 4.19Å; P156-W453 HydrophobicContact CB-CZ3 4.03Å; P156-W453 VanDerWaalsContact CD-CZ3 3.42Å; P156-W453 HydrophobicContact CG-CH2 4.08Å; P156-W453 HydrophobicContact CG-CZ2 4.39Å; P156-W453 HydrophobicContact CG-CZ3 4.2Å
157	Y	96.3	Very high	89.5	Confident	121 Å²	121	84.3 Å²	84.3	48%	0.475	42%	0.42	S	S	.	.	S	Bend	trans	-79.2	-15.9	179.9	68.4	-97.6	0	0	0	112.4	S440 F452 R454	Y157-S440 PolarHBondContact OH-OG 2.69Å; Y157-F452 HydrophobicContact CD1-CB 4.15Å; Y157-F452 WeakPolarHBondContact CD1-O 3.49Å; Y157-F452 HydrophobicContact CD2-CB 4.35Å; Y157-F452 HydrophobicContact CE1-CB 3.59Å; Y157-F452 HydrophobicContact CE2-CB 3.81Å; Y157-F452 PolarHBondContact N-O 3.18Å; Y157-R454 HydrophobicContact CD1-CB 4.21Å; Y157-R454 HydrophobicContact CE1-CB 4.39Å
158	K	97.1	Very high	91.1	Very high	65 Å²	65	77.8 Å²	77.8	28%	0.283	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.3	175.3	-171.8	162.2	-177.4	151.1	0	109.5	P156 L160 W193 S198 F452	P156-K158 VanDerWaalsContact C-N 3.27Å; P156-K158 PolarHBondContact O-N 3.06Å; K158-L160 HydrophobicContact CG-CD2 4.48Å; K158-W193 HydrophobicContact CD-CH2 4.28Å; K158-W193 HydrophobicContact CD-CZ2 4.16Å; K158-S198 PolarHBondContact NZ-OG 3.18Å; K158-F452 HydrophobicContact CB-CB 4.05Å; K158-F452 HydrophobicContact CB-CD2 3.92Å; K158-F452 HydrophobicContact CB-CG 4.18Å; K158-F452 HydrophobicContact CG-CD2 4.14Å; K158-F452 WeakPolarHBondContact O-CD2 3.21Å; K158-F452 PolarHBondContact O-N 3.2Å
159	I	97.8	Very high	92.7	Very high	87 Å²	87	72 Å²	72	45%	0.446	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.4	171.7	-54.1	-179.3	0	0	0	106.5	P156 T449 L450 R451	P156-I159 HydrophobicContact CB-CG1 4.24Å; P156-I159 HydrophobicContact CG-CD1 3.76Å; P156-I159 HydrophobicContact CG-CG1 3.73Å; I159-T449 HydrophobicContact CG2-CG2 4.24Å; I159-L450 CarbonylContact C-O 3.58Å; I159-L450 VanDerWaalsContact CA-O 3.29Å; I159-L450 WeakPolarHBondContact CA-O 3.11Å; I159-R451 HydrophobicContact CG1-CG 4.26Å; I159-R451 HydrophobicContact CG2-CG 4.33Å
160	L	98.3	Very high	94.3	Very high	41 Å²	41	70.6 Å²	70.6	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.6	171.9	-62.1	177.1	0	0	0	109	K158 W193 L450 F452	K158-L160 HydrophobicContact CG-CD2 4.48Å; L160-W193 HydrophobicContact CD1-CD2 3.75Å; L160-W193 HydrophobicContact CD1-CE3 4.15Å; L160-W193 HydrophobicContact CD1-CG 4.05Å; L160-W193 HydrophobicContact CD1-CZ2 4.3Å; L160-L450 HydrophobicContact CB-CB 4.29Å; L160-L450 PolarHBondContact N-O 3.49Å; L160-L450 PolarHBondContact O-N 2.85Å; L160-F452 HydrophobicContact CB-CE2 4.43Å; L160-F452 HydrophobicContact CD1-CE2 3.6Å; L160-F452 HydrophobicContact CD1-CZ 3.78Å; L160-F452 HydrophobicContact CG-CE2 3.75Å; L160-F452 HydrophobicContact CG-CZ 4.44Å
161	D	98	Very high	95.4	Very high	142 Å²	142	67.7 Å²	67.7	76%	0.759	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	138.7	172.4	-58.6	-27.2	0	0	0	109.7
162	A	97.8	Very high	96.3	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.315	C	S	.	.			trans	-135.8	67.4	-179.9	0	0	0	0	0	109.4	L165 L186 E448 L450	A162-L165 HydrophobicContact CB-CB 4.14Å; A162-L165 HydrophobicContact CB-CD2 4.02Å; A162-L165 WeakPolarHBondContact O-CB 3.44Å; A162-L165 PolarHBondContact O-N 2.92Å; A162-L186 HydrophobicContact CB-CD2 3.92Å; A162-E448 PolarHBondContact N-O 3.03Å; A162-E448 WeakPolarHBondContact O-CA 3.34Å; A162-E448 WeakPolarHBondContact O-CB 3.41Å; A162-L450 HydrophobicContact CB-CD1 4.06Å; A162-L450 HydrophobicContact CB-CG 3.84Å
163	P	97.2	Very high	96.8	Very high	73 Å²	73	63.2 Å²	63.2	47%	0.474	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	143.9	-180	27.4	-35.4	0	0	0	110.5	L165 L186	P163-L165 PolarHBondContact O-N 2.8Å; P163-L186 WeakPolarHBondContact O-CB 3.49Å; P163-L186 WeakPolarHBondContact O-CD2 3.42Å
164	E	94.5	Very high	97.2	Very high	126 Å²	126	57.9 Å²	57.9	59%	0.589	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	16.6	-179.8	-51.4	-178.3	171.7	0	0	115.1	Q166 G187 E448	E164-Q166 PolarHBondContact O-N 2.8Å; E164-Q166 VanDerWaalsContact O-N 3.08Å; E164-Q166 PolarHBondContact O-NE2 2.81Å; E164-G187 PolarHBondContact O-N 3.36Å; E164-E448 PolarHBondContact N-OE1 3.33Å
165	L	97.9	Very high	97.6	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	28%	0.277	C	S	.	.			trans	-66.1	108.5	169.5	-175.6	62.3	0	0	0	109.2	A162 P163 L173 V184 L186 Y431 L450	A162-L165 HydrophobicContact CB-CB 4.14Å; A162-L165 HydrophobicContact CB-CD2 4.02Å; A162-L165 WeakPolarHBondContact O-CB 3.44Å; A162-L165 PolarHBondContact O-N 2.92Å; P163-L165 PolarHBondContact O-N 2.8Å; L165-L173 HydrophobicContact CD1-CB 4.12Å; L165-L173 HydrophobicContact CD1-CD1 4.06Å; L165-V184 HydrophobicContact CD1-CG1 4.35Å; L165-L186 HydrophobicContact CB-CD2 3.77Å; L165-L186 HydrophobicContact CD1-CD2 4Å; L165-L186 HydrophobicContact CG-CD2 4.42Å; L165-Y431 HydrophobicContact CD1-CD2 3.88Å; L165-Y431 HydrophobicContact CD1-CE2 3.6Å; L165-Y431 HydrophobicContact CD2-CD2 3.79Å; L165-Y431 HydrophobicContact CD2-CE2 3.97Å; L165-Y431 HydrophobicContact CG-CD2 3.94Å; L165-Y431 HydrophobicContact CG-CE2 3.6Å; L165-L450 HydrophobicContact CD2-CD2 4.35Å
166	Q	97.7	Very high	97.8	Very high	88 Å²	88	50.1 Å²	50.1	41%	0.411	25%	0.249	S	C	.	.			trans	-60.2	139.9	-171.2	-65.4	-64.1	-49.1	0	0	112.4	E164 D168 L171 L173 Y431	E164-Q166 PolarHBondContact O-N 2.8Å; E164-Q166 VanDerWaalsContact O-N 3.08Å; E164-Q166 PolarHBondContact O-NE2 2.81Å; Q166-D168 VanDerWaalsContact C-N 3.31Å; Q166-D168 PolarHBondContact O-N 3.1Å; Q166-L171 HydrophobicContact CB-CD1 3.96Å; Q166-L171 HydrophobicContact CG-CD1 4.37Å; Q166-L173 HydrophobicContact CB-CD1 4.06Å; Q166-L173 HydrophobicContact CG-CD1 4.47Å; Q166-Y431 WeakPolarHBondContact O-CE2 3.36Å; Q166-Y431 PolarHBondContact O-OH 2.91Å
167	D	97.1	Very high	97.8	Very high	68 Å²	68	49.3 Å²	49.3	36%	0.364	24%	0.243	S	C	.	.			trans	-92.8	53.5	172.9	-169.2	37.8	0	0	0	111.5	R428 L430	D167-R428 PolarHBondContact O-NH2 2.95Å; D167-R428 IonicContact OD1-CZ 3.2Å; D167-R428 IonicContact OD1-NE 3.32Å; D167-R428 PolarHBondContact OD1-NE 3.31Å; D167-R428 IonicContact OD1-NH2 3.16Å; D167-R428 PolarHBondContact OD1-NH2 2.81Å; D167-R428 VanDerWaalsContact OD1-NH2 3.14Å; D167-R428 IonicContact OD2-CZ 3.26Å; D167-R428 IonicContact OD2-NE 2.65Å; D167-R428 PolarHBondContact OD2-NE 3Å; D167-R428 IonicContact OD2-NH2 2.76Å; D167-R428 PolarHBondContact OD2-NH2 3.45Å; D167-L430 WeakPolarHBondContact OD1-CD1 3.4Å
168	D	98	Very high	97.9	Very high	42 Å²	42	51 Å²	51	23%	0.225	25%	0.253	C	S	.	.			trans	-111.7	119.1	176.8	-177.6	-10.2	0	0	0	110.8	Q166 Y170 L171 R253	Q166-D168 VanDerWaalsContact C-N 3.31Å; Q166-D168 PolarHBondContact O-N 3.1Å; D168-Y170 PolarHBondContact O-N 2.98Å; D168-Y170 VanDerWaalsContact O-N 3.16Å; D168-Y170 VanDerWaalsContact OD1-CD2 3.29Å; D168-Y170 WeakPolarHBondContact OD1-CD2 3.44Å; D168-Y170 PolarHBondContact OD1-N 2.84Å; D168-L171 HydrophobicContact CB-CD1 3.81Å; D168-L171 HydrophobicContact CB-CG 3.76Å; D168-L171 PolarHBondContact O-N 2.77Å; D168-R253 IonicContact OD2-CZ 2.88Å; D168-R253 IonicContact OD2-NH1 3.52Å; D168-R253 PolarHBondContact OD2-NH1 3.15Å; D168-R253 IonicContact OD2-NH2 3.65Å
169	F	98.1	Very high	97.9	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.039	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.2	-179.8	177.3	-98	0	0	0	112.4	L171 A340 K342 Q384 C386 L430	F169-L171 PolarHBondContact O-N 3.16Å; F169-A340 HydrophobicContact CE1-CB 3.94Å; F169-K342 HydrophobicContact CD1-CD 4.31Å; F169-K342 HydrophobicContact CD2-CD 4.34Å; F169-K342 HydrophobicContact CE1-CB 3.77Å; F169-K342 HydrophobicContact CE1-CD 4.1Å; F169-K342 HydrophobicContact CE2-CB 4.48Å; F169-K342 HydrophobicContact CE2-CD 4.16Å; F169-K342 HydrophobicContact CG-CD 4.43Å; F169-K342 HydrophobicContact CZ-CB 3.66Å; F169-K342 HydrophobicContact CZ-CD 4.03Å; F169-K342 WeakPolarHBondContact O-CD 3.29Å; F169-K342 WeakPolarHBondContact O-CE 3.29Å; F169-K342 PolarHBondContact O-NZ 3.2Å; F169-Q384 HydrophobicContact CD2-CG 4.4Å; F169-Q384 HydrophobicContact CE2-CG 3.88Å; F169-C386 HydrophobicContact CE2-CB 4.3Å; F169-L430 HydrophobicContact CB-CD2 4.49Å; F169-L430 HydrophobicContact CD2-CD2 4.23Å
170	Y	98.5	Very high	97.9	Very high	57 Å²	57	51 Å²	51	22%	0.224	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.5	-170.9	-58.9	-76.1	0	0	0	114	D168 C300 N316 A340	D168-Y170 PolarHBondContact O-N 2.98Å; D168-Y170 VanDerWaalsContact O-N 3.16Å; D168-Y170 VanDerWaalsContact OD1-CD2 3.29Å; D168-Y170 WeakPolarHBondContact OD1-CD2 3.44Å; D168-Y170 PolarHBondContact OD1-N 2.84Å; Y170-C300 HydrophobicContact CD1-CB 3.83Å; Y170-N316 HydrophobicContact CE1-CB 3.95Å; Y170-N316 WeakPolarHBondContact CE1-OD1 3.41Å; Y170-N316 PolarHBondContact OH-OD1 3.31Å; Y170-A340 HydrophobicContact CE1-CB 4.36Å
171	L	98.6	Very high	97.9	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.037	25%	0.248	C	C	.	.			trans	-85.5	153.4	-177.2	-52.3	-174	0	0	0	112.5	Q166 D168 F169 L173 T213 K342 Y431	Q166-L171 HydrophobicContact CB-CD1 3.96Å; Q166-L171 HydrophobicContact CG-CD1 4.37Å; D168-L171 HydrophobicContact CB-CD1 3.81Å; D168-L171 HydrophobicContact CB-CG 3.76Å; D168-L171 PolarHBondContact O-N 2.77Å; F169-L171 PolarHBondContact O-N 3.16Å; L171-L173 HydrophobicContact CB-CD1 4.28Å; L171-L173 HydrophobicContact CB-CD2 4.02Å; L171-L173 HydrophobicContact CB-CG 3.88Å; L171-L173 HydrophobicContact CD1-CD1 4.12Å; L171-L173 HydrophobicContact CD1-CD2 4.45Å; L171-T213 WeakPolarHBondContact CA-O 3.41Å; L171-T213 HydrophobicContact CD2-CG2 3.85Å; L171-K342 PolarHBondContact O-NZ 2.93Å; L171-Y431 HydrophobicContact CB-CE1 4.47Å; L171-Y431 WeakPolarHBondContact O-CE1 3.22Å
172	N	98.6	Very high	97.9	Very high	36 Å²	36	43.4 Å²	43.4	19%	0.193	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-126.3	78.2	178.7	-70.9	-76.8	0	0	0	110.3	T213 A214 V215 G255 C300 K342	N172-T213 PolarHBondContact N-O 2.98Å; N172-A214 HydrophobicContact CB-CB 4.46Å; N172-A214 CarbonylContact O-C 3.54Å; N172-A214 VanDerWaalsContact O-CA 3.26Å; N172-A214 WeakPolarHBondContact O-CA 3.49Å; N172-V215 PolarHBondContact O-N 3.02Å; N172-G255 PolarHBondContact ND2-O 3.01Å; N172-C300 PolarHBondContact ND2-O 3.22Å; N172-K342 PolarHBondContact ND2-NZ 3.16Å; N172-K342 PolarHBondContact OD1-NZ 3.47Å
173	L	98.6	Very high	98	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.212	C	C	.	.			trans	-96.6	2.2	-163.5	-56.6	-175.6	0	0	0	115.9	L165 Q166 L171 V184 G185 V212 V215 Y431	L165-L173 HydrophobicContact CD1-CB 4.12Å; L165-L173 HydrophobicContact CD1-CD1 4.06Å; Q166-L173 HydrophobicContact CB-CD1 4.06Å; Q166-L173 HydrophobicContact CG-CD1 4.47Å; L171-L173 HydrophobicContact CB-CD1 4.28Å; L171-L173 HydrophobicContact CB-CD2 4.02Å; L171-L173 HydrophobicContact CB-CG 3.88Å; L171-L173 HydrophobicContact CD1-CD1 4.12Å; L171-L173 HydrophobicContact CD1-CD2 4.45Å; L173-V184 CarbonylContact O-C 3.6Å; L173-V184 VanDerWaalsContact O-CA 3.3Å; L173-V184 WeakPolarHBondContact O-CA 3.36Å; L173-G185 PolarHBondContact O-N 3.43Å; L173-V212 HydrophobicContact CD2-CG1 4.2Å; L173-V212 WeakPolarHBondContact CD2-O 3.32Å; L173-V215 WeakPolarHBondContact O-CG2 3.13Å; L173-Y431 HydrophobicContact CB-CD1 4.08Å; L173-Y431 HydrophobicContact CB-CE1 3.76Å; L173-Y431 HydrophobicContact CD1-CE1 4.14Å; L173-Y431 WeakPolarHBondContact CD1-OH 3.15Å; L173-Y431 HydrophobicContact CG-CE1 3.74Å
174	V	98.7	Very high	98	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.073	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.9	-177.6	-177.9	0	0	0	0	109.8	L182 A183 V184 Y431 A433 V442 L450	V174-L182 HydrophobicContact CG1-CD1 3.76Å; V174-L182 HydrophobicContact CG1-CG 4.45Å; V174-A183 WeakPolarHBondContact CA-O 3.25Å; V174-V184 HydrophobicContact CG2-CG1 4.28Å; V174-Y431 HydrophobicContact CG2-CD2 4.43Å; V174-Y431 HydrophobicContact CG2-CG 3.94Å; V174-A433 HydrophobicContact CG1-CB 4.27Å; V174-V442 HydrophobicContact CG1-CG1 4.05Å; V174-L450 HydrophobicContact CG2-CD2 3.96Å
175	D	98.7	Very high	98.2	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.5	171.5	-168.2	25	0	0	0	112	A183 V215 N216 W217	D175-A183 PolarHBondContact N-O 2.85Å; D175-A183 VanDerWaalsContact N-O 3.08Å; D175-A183 PolarHBondContact O-N 3.38Å; D175-V215 HydrophobicContact CB-CG2 4.37Å; D175-N216 WeakPolarHBondContact OD2-CA 3.33Å; D175-N216 PolarHBondContact OD2-ND2 3Å; D175-W217 PolarHBondContact O-NE1 3.5Å; D175-W217 PolarHBondContact OD2-N 3.13Å
176	W	98.6	Very high	98.2	Very high	19 Å²	19	34.8 Å²	34.8	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.2	-173.5	-159.7	-23.1	0	0	0	110.8	N180 L182 W193 A195 A433 M434 V442 F452	W176-N180 WeakPolarHBondContact CZ2-OD1 3.49Å; W176-N180 PolarHBondContact NE1-OD1 2.82Å; W176-L182 HydrophobicContact CB-CD1 3.82Å; W176-L182 HydrophobicContact CD2-CD1 4.2Å; W176-L182 HydrophobicContact CE3-CD1 4.38Å; W176-L182 HydrophobicContact CG-CD1 4Å; W176-W193 HydrophobicContact CZ2-CZ3 4.5Å; W176-A195 HydrophobicContact CZ2-CB 3.7Å; W176-A433 HydrophobicContact CB-CB 3.94Å; W176-M434 WeakPolarHBondContact CB-O 3.25Å; W176-V442 HydrophobicContact CE3-CB 4.13Å; W176-V442 HydrophobicContact CE3-CG1 3.73Å; W176-V442 HydrophobicContact CZ3-CB 4.03Å; W176-V442 HydrophobicContact CZ3-CG1 4.16Å; W176-F452 AromaticContact CH2-CD1 3.65Å; W176-F452 HydrophobicContact CH2-CD1 3.65Å; W176-F452 AromaticContact CH2-CE1 3.65Å; W176-F452 HydrophobicContact CH2-CE1 3.65Å; W176-F452 HydrophobicContact CZ2-CE1 4.36Å; W176-F452 AromaticContact CZ3-CD1 3.73Å; W176-F452 HydrophobicContact CZ3-CD1 3.73Å; W176-F452 AromaticContact CZ3-CE1 3.73Å; W176-F452 HydrophobicContact CZ3-CE1 3.73Å
177	S	98.2	Very high	98.1	Very high	2 Å²	2	31 Å²	31	1%	0.014	15%	0.151	C	C	.	.			trans	-71.1	156.9	-174.1	89.4	0	0	0	0	113.6	K179 N180 V181 W217	S177-K179 PolarHBondContact O-N 3.27Å; S177-K179 VanDerWaalsContact O-N 3.15Å; S177-K179 PolarHBondContact OG-N 3.01Å; S177-K179 VanDerWaalsContact OG-N 3.12Å; S177-N180 PolarHBondContact O-N 3.18Å; S177-N180 PolarHBondContact OG-N 3.49Å; S177-V181 VanDerWaalsContact CB-O 3.3Å; S177-V181 WeakPolarHBondContact CB-O 3.42Å; S177-V181 PolarHBondContact N-O 3.1Å; S177-V181 PolarHBondContact OG-N 3.38Å; S177-V181 VanDerWaalsContact OG-N 3.08Å; S177-V181 PolarHBondContact OG-O 3.33Å; S177-W217 VanDerWaalsContact CB-CG 3.48Å
178	K	96.9	Very high	98.1	Very high	156 Å²	156	28.7 Å²	28.7	68%	0.678	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.1	169.2	-170.1	173.3	-179.8	179.1	0	113.2	N180 N219 P436	K178-N180 PolarHBondContact O-N 2.86Å; K178-N219 WeakPolarHBondContact CD-O 3.44Å; K178-P436 WeakPolarHBondContact O-CB 3.38Å
179	K	97.6	Very high	98.1	Very high	116 Å²	116	27.1 Å²	27.1	50%	0.504	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	13.7	177.5	-66.1	-168.7	171.1	-169.5	0	113.4	S177 V181 D222	S177-K179 PolarHBondContact O-N 3.27Å; S177-K179 VanDerWaalsContact O-N 3.15Å; S177-K179 PolarHBondContact OG-N 3.01Å; S177-K179 VanDerWaalsContact OG-N 3.12Å; K179-V181 VanDerWaalsContact C-N 3.32Å; K179-V181 PolarHBondContact O-N 3.44Å; K179-D222 WeakPolarHBondContact CE-OD1 3.35Å; K179-D222 IonicContact NZ-OD1 3.61Å; K179-D222 PolarHBondContact NZ-OD1 2.65Å; K179-D222 IonicContact NZ-OD2 3.62Å
180	N	97.7	Very high	98.1	Very high	37 Å²	37	26.7 Å²	26.7	20%	0.198	13%	0.132	C	C	.	.	S	Bend	trans	64	34.7	178.2	-154.9	28	0	0	0	113.7	W176 S177 K178 A195 S196 P436	W176-N180 WeakPolarHBondContact CZ2-OD1 3.49Å; W176-N180 PolarHBondContact NE1-OD1 2.82Å; S177-N180 PolarHBondContact O-N 3.18Å; S177-N180 PolarHBondContact OG-N 3.49Å; K178-N180 PolarHBondContact O-N 2.86Å; N180-A195 WeakPolarHBondContact O-CB 3.34Å; N180-A195 PolarHBondContact O-N 3Å; N180-A195 WeakPolarHBondContact OD1-CB 3.45Å; N180-S196 PolarHBondContact ND2-OG 3.13Å; N180-P436 HydrophobicContact CB-CG 3.86Å
181	V	98.4	Very high	98.1	Very high	24 Å²	24	27.7 Å²	27.7	15%	0.145	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123	174.9	-175.4	0	0	0	0	108.8	S177 K179 L192 W193 N194 W217	S177-V181 VanDerWaalsContact CB-O 3.3Å; S177-V181 WeakPolarHBondContact CB-O 3.42Å; S177-V181 PolarHBondContact N-O 3.1Å; S177-V181 PolarHBondContact OG-N 3.38Å; S177-V181 VanDerWaalsContact OG-N 3.08Å; S177-V181 PolarHBondContact OG-O 3.33Å; K179-V181 VanDerWaalsContact C-N 3.32Å; K179-V181 PolarHBondContact O-N 3.44Å; V181-L192 HydrophobicContact CG1-CB 3.87Å; V181-W193 CarbonylContact C-O 3.54Å; V181-W193 WeakPolarHBondContact CA-O 3.42Å; V181-N194 HydrophobicContact CG2-CB 4.47Å; V181-W217 HydrophobicContact CB-CH2 4.22Å; V181-W217 HydrophobicContact CB-CZ2 4.02Å; V181-W217 HydrophobicContact CG1-CH2 4.07Å; V181-W217 HydrophobicContact CG1-CZ2 3.81Å; V181-W217 PolarHBondContact O-NE1 2.82Å
182	L	98.5	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.3	174.8	-172.3	70	0	0	0	109.4	V174 W176 V184 L192 W193 V442 L450 F452	V174-L182 HydrophobicContact CG1-CD1 3.76Å; V174-L182 HydrophobicContact CG1-CG 4.45Å; W176-L182 HydrophobicContact CB-CD1 3.82Å; W176-L182 HydrophobicContact CD2-CD1 4.2Å; W176-L182 HydrophobicContact CE3-CD1 4.38Å; W176-L182 HydrophobicContact CG-CD1 4Å; L182-V184 HydrophobicContact CD2-CG2 3.82Å; L182-V184 HydrophobicContact CG-CG2 3.86Å; L182-L192 CarbonylContact O-C 3.49Å; L182-L192 VanDerWaalsContact O-CA 3.27Å; L182-L192 WeakPolarHBondContact O-CA 3.45Å; L182-W193 HydrophobicContact CB-CB 4.41Å; L182-W193 HydrophobicContact CB-CE3 3.93Å; L182-W193 HydrophobicContact CD2-CE3 4.26Å; L182-W193 PolarHBondContact N-O 2.92Å; L182-W193 PolarHBondContact O-N 3.18Å; L182-V442 HydrophobicContact CD1-CG1 3.75Å; L182-V442 HydrophobicContact CD2-CG2 4.28Å; L182-L450 HydrophobicContact CD2-CD1 4.2Å; L182-F452 HydrophobicContact CD2-CE1 4.37Å; L182-F452 HydrophobicContact CD2-CZ 3.89Å
183	A	98.7	Very high	98.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.6	168.6	0	0	0	0	0	109.4	V174 D175 V190 Y191 L192 V215 W217 I224	V174-A183 WeakPolarHBondContact CA-O 3.25Å; D175-A183 PolarHBondContact N-O 2.85Å; D175-A183 VanDerWaalsContact N-O 3.08Å; D175-A183 PolarHBondContact O-N 3.38Å; A183-V190 HydrophobicContact CB-CG1 4.49Å; A183-Y191 WeakPolarHBondContact CA-O 3.35Å; A183-L192 HydrophobicContact CB-CD2 3.75Å; A183-V215 HydrophobicContact CB-CG2 4.49Å; A183-W217 HydrophobicContact CB-CZ2 3.92Å; A183-W217 VanDerWaalsContact CB-NE1 3.28Å; A183-I224 HydrophobicContact CB-CD1 4.21Å
184	V	98.7	Very high	98.1	Very high	8 Å²	8	29 Å²	29	5%	0.048	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124	-178.2	-173	0	0	0	0	109.1	L165 L173 V174 L182 L186 V190 Y191 L450	L165-V184 HydrophobicContact CD1-CG1 4.35Å; L173-V184 CarbonylContact O-C 3.6Å; L173-V184 VanDerWaalsContact O-CA 3.3Å; L173-V184 WeakPolarHBondContact O-CA 3.36Å; V174-V184 HydrophobicContact CG2-CG1 4.28Å; L182-V184 HydrophobicContact CD2-CG2 3.82Å; L182-V184 HydrophobicContact CG-CG2 3.86Å; V184-L186 HydrophobicContact CG1-CD2 3.58Å; V184-L186 HydrophobicContact CG1-CG 3.97Å; V184-V190 WeakPolarHBondContact O-CA 3.37Å; V184-Y191 PolarHBondContact N-O 2.77Å; V184-Y191 PolarHBondContact O-N 3.4Å; V184-L450 HydrophobicContact CG1-CD1 4.14Å; V184-L450 HydrophobicContact CG2-CD1 3.66Å
185	G	98.4	Very high	98	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.2	169.5	0	0	0	0	0	110.7	L173 S189	L173-G185 PolarHBondContact O-N 3.43Å; G185-S189 WeakPolarHBondContact CA-O 3.4Å
186	L	97.9	Very high	97.9	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106.6	177.1	-58.2	-178.2	0	0	0	107.7	A162 P163 L165 V184 A188 S189 Y191	A162-L186 HydrophobicContact CB-CD2 3.92Å; P163-L186 WeakPolarHBondContact O-CB 3.49Å; P163-L186 WeakPolarHBondContact O-CD2 3.42Å; L165-L186 HydrophobicContact CB-CD2 3.77Å; L165-L186 HydrophobicContact CD1-CD2 4Å; L165-L186 HydrophobicContact CG-CD2 4.42Å; V184-L186 HydrophobicContact CG1-CD2 3.58Å; V184-L186 HydrophobicContact CG1-CG 3.97Å; L186-A188 PolarHBondContact O-N 3.14Å; L186-S189 PolarHBondContact N-O 2.92Å; L186-S189 PolarHBondContact O-N 3.04Å; L186-Y191 HydrophobicContact CB-CD2 4.15Å; L186-Y191 HydrophobicContact CB-CE2 4.16Å; L186-Y191 HydrophobicContact CD1-CD2 3.71Å; L186-Y191 HydrophobicContact CD1-CE2 4.01Å; L186-Y191 HydrophobicContact CD1-CG 4.46Å; L186-Y191 HydrophobicContact CG-CD2 4.07Å; L186-Y191 HydrophobicContact CG-CE2 4.47Å
187	G	96.2	Very high	97.8	Very high	9 Å²	9	35.6 Å²	35.6	9%	0.093	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-118	-172.6	0	0	0	0	0	113.2	E164 V212	E164-G187 PolarHBondContact O-N 3.36Å; G187-V212 PolarHBondContact O-N 2.82Å
188	A	97	Very high	97.7	Very high	19 Å²	19	38.3 Å²	38.3	16%	0.157	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.9	178.6	0	0	0	0	0	114.2	L186 L206 G207 D210	L186-A188 PolarHBondContact O-N 3.14Å; A188-L206 HydrophobicContact CB-CB 4.27Å; A188-L206 WeakPolarHBondContact O-CG 3.19Å; A188-L206 PolarHBondContact O-N 2.86Å; A188-G207 WeakPolarHBondContact CB-O 3.44Å; A188-D210 WeakPolarHBondContact CB-O 3.29Å
189	S	98	Very high	97.7	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.4	-171.8	-75.5	0	0	0	0	113	G185 L186 F204 D205	G185-S189 WeakPolarHBondContact CA-O 3.4Å; L186-S189 PolarHBondContact N-O 2.92Å; L186-S189 PolarHBondContact O-N 3.04Å; S189-F204 WeakPolarHBondContact CA-O 3.2Å; S189-D205 WeakPolarHBondContact OG-CB 3.31Å; S189-D205 PolarHBondContact OG-OD1 2.8Å; S189-D205 PolarHBondContact OG-OD2 3.11Å
190	V	98.4	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	167	177.3	0	0	0	0	109.8	A183 V184 L192 L203 F204 V212 V215 V226	A183-V190 HydrophobicContact CB-CG1 4.49Å; V184-V190 WeakPolarHBondContact O-CA 3.37Å; V190-L192 HydrophobicContact CG1-CD2 4.19Å; V190-L203 HydrophobicContact CG1-CD2 4.41Å; V190-L203 PolarHBondContact O-N 2.71Å; V190-F204 HydrophobicContact CB-CD1 4.45Å; V190-F204 HydrophobicContact CB-CE1 3.83Å; V190-F204 HydrophobicContact CB-CZ 3.94Å; V190-F204 HydrophobicContact CG2-CE1 3.73Å; V190-F204 HydrophobicContact CG2-CE2 4.16Å; V190-F204 HydrophobicContact CG2-CZ 3.37Å; V190-F204 PolarHBondContact N-O 3.47Å; V190-V212 HydrophobicContact CG2-CB 4.45Å; V190-V212 HydrophobicContact CG2-CG1 3.96Å; V190-V212 HydrophobicContact CG2-CG2 3.72Å; V190-V215 HydrophobicContact CG1-CG1 4.44Å; V190-V215 HydrophobicContact CG2-CG1 4.01Å; V190-V226 HydrophobicContact CG2-CG1 4.36Å; V190-V226 HydrophobicContact CG2-CG2 4.4Å
191	Y	98.5	Very high	97.7	Very high	78 Å²	78	35.4 Å²	35.4	31%	0.306	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.6	174.8	-67.8	-94.4	0	0	0	110.5	A183 V184 L186 V200 R202	A183-Y191 WeakPolarHBondContact CA-O 3.35Å; V184-Y191 PolarHBondContact N-O 2.77Å; V184-Y191 PolarHBondContact O-N 3.4Å; L186-Y191 HydrophobicContact CB-CD2 4.15Å; L186-Y191 HydrophobicContact CB-CE2 4.16Å; L186-Y191 HydrophobicContact CD1-CD2 3.71Å; L186-Y191 HydrophobicContact CD1-CE2 4.01Å; L186-Y191 HydrophobicContact CD1-CG 4.46Å; L186-Y191 HydrophobicContact CG-CD2 4.07Å; L186-Y191 HydrophobicContact CG-CE2 4.47Å; Y191-V200 HydrophobicContact CD1-CG1 4.22Å; Y191-R202 HydrophobicContact CD1-CB 3.92Å; Y191-R202 HydrophobicContact CD1-CG 4.31Å; Y191-R202 HydrophobicContact CE1-CB 3.69Å; Y191-R202 HydrophobicContact CE1-CG 3.92Å
192	L	98.4	Very high	97.7	Very high	9 Å²	9	41 Å²	41	5%	0.047	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.1	172.2	-48.2	-176.2	0	0	0	109.4	V181 L182 A183 V190 V200 T201 L203 W217 I224 A238	V181-L192 HydrophobicContact CG1-CB 3.87Å; L182-L192 CarbonylContact O-C 3.49Å; L182-L192 VanDerWaalsContact O-CA 3.27Å; L182-L192 WeakPolarHBondContact O-CA 3.45Å; A183-L192 HydrophobicContact CB-CD2 3.75Å; V190-L192 HydrophobicContact CG1-CD2 4.19Å; L192-V200 CarbonylContact O-C 3.55Å; L192-V200 WeakPolarHBondContact O-CA 3.39Å; L192-T201 PolarHBondContact N-O 3.02Å; L192-T201 PolarHBondContact O-N 2.65Å; L192-L203 HydrophobicContact CD1-CB 4.34Å; L192-L203 HydrophobicContact CD1-CD1 4.09Å; L192-L203 HydrophobicContact CD1-CD2 4.4Å; L192-L203 HydrophobicContact CD2-CD2 4.39Å; L192-L203 HydrophobicContact CG-CB 4.16Å; L192-W217 HydrophobicContact CD1-CH2 4.33Å; L192-W217 HydrophobicContact CD2-CH2 4.3Å; L192-W217 HydrophobicContact CD2-CZ2 3.92Å; L192-I224 HydrophobicContact CD1-CD1 4.17Å; L192-I224 HydrophobicContact CD2-CD1 3.37Å; L192-I224 HydrophobicContact CG-CD1 4.42Å; L192-A238 HydrophobicContact CD1-CB 4.21Å
193	W	98.4	Very high	97.6	Very high	20 Å²	20	41.5 Å²	41.5	8%	0.076	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.6	174.7	175.1	73.1	0	0	0	110	K158 L160 W176 V181 L182 A195 Q199 F452	K158-W193 HydrophobicContact CD-CH2 4.28Å; K158-W193 HydrophobicContact CD-CZ2 4.16Å; L160-W193 HydrophobicContact CD1-CD2 3.75Å; L160-W193 HydrophobicContact CD1-CE3 4.15Å; L160-W193 HydrophobicContact CD1-CG 4.05Å; L160-W193 HydrophobicContact CD1-CZ2 4.3Å; W176-W193 HydrophobicContact CZ2-CZ3 4.5Å; V181-W193 CarbonylContact C-O 3.54Å; V181-W193 WeakPolarHBondContact CA-O 3.42Å; L182-W193 HydrophobicContact CB-CB 4.41Å; L182-W193 HydrophobicContact CB-CE3 3.93Å; L182-W193 HydrophobicContact CD2-CE3 4.26Å; L182-W193 PolarHBondContact N-O 2.92Å; L182-W193 PolarHBondContact O-N 3.18Å; W193-A195 HydrophobicContact CE3-CB 3.99Å; W193-A195 VanDerWaalsContact CH2-CA 3.42Å; W193-A195 HydrophobicContact CH2-CB 3.51Å; W193-A195 HydrophobicContact CZ2-CB 4.34Å; W193-A195 HydrophobicContact CZ3-CB 3.29Å; W193-A195 PolarHBondContact O-N 2.9Å; W193-Q199 WeakPolarHBondContact CA-O 3.34Å; W193-F452 HydrophobicContact CE3-CE1 4.23Å; W193-F452 AromaticContact CE3-CZ 3.9Å; W193-F452 HydrophobicContact CE3-CZ 3.9Å; W193-F452 HydrophobicContact CH2-CE1 4.03Å; W193-F452 AromaticContact CH2-CZ 3.98Å; W193-F452 HydrophobicContact CH2-CZ 3.98Å; W193-F452 HydrophobicContact CZ3-CD1 4.47Å; W193-F452 AromaticContact CZ3-CE1 3.44Å; W193-F452 HydrophobicContact CZ3-CE1 3.44Å; W193-F452 VanDerWaalsContact CZ3-CE1 3.44Å; W193-F452 HydrophobicContact CZ3-CE2 4.48Å; W193-F452 AromaticContact CZ3-CZ 3.44Å; W193-F452 HydrophobicContact CZ3-CZ 3.44Å; W193-F452 VanDerWaalsContact CZ3-CZ 3.44Å
194	N	97.6	Very high	97.6	Very high	42 Å²	42	42.4 Å²	42.4	23%	0.225	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.9	176.6	-176.4	-43.9	0	0	0	109.6	V181 S196 T197 S198 Q199	V181-N194 HydrophobicContact CG2-CB 4.47Å; N194-S196 VanDerWaalsContact C-N 3.26Å; N194-S196 PolarHBondContact O-N 2.87Å; N194-S196 WeakPolarHBondContact OD1-CA 3.24Å; N194-S196 WeakPolarHBondContact OD1-CB 3.46Å; N194-S196 PolarHBondContact OD1-N 3.31Å; N194-T197 WeakPolarHBondContact CB-OG1 3.38Å; N194-T197 VanDerWaalsContact CG-OG1 3.25Å; N194-T197 PolarHBondContact O-N 2.72Å; N194-T197 PolarHBondContact OD1-N 2.98Å; N194-T197 PolarHBondContact OD1-OG1 3.03Å; N194-S198 WeakPolarHBondContact O-CA 3.4Å; N194-S198 PolarHBondContact O-N 2.89Å; N194-Q199 PolarHBondContact N-O 3.48Å
195	A	96.8	Very high	97.5	Very high	25 Å²	25	45.7 Å²	45.7	21%	0.207	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.8	-174.2	0	0	0	0	0	113.9	W176 N180 W193	W176-A195 HydrophobicContact CZ2-CB 3.7Å; N180-A195 WeakPolarHBondContact O-CB 3.34Å; N180-A195 PolarHBondContact O-N 3Å; N180-A195 WeakPolarHBondContact OD1-CB 3.45Å; W193-A195 HydrophobicContact CE3-CB 3.99Å; W193-A195 VanDerWaalsContact CH2-CA 3.42Å; W193-A195 HydrophobicContact CH2-CB 3.51Å; W193-A195 HydrophobicContact CZ2-CB 4.34Å; W193-A195 HydrophobicContact CZ3-CB 3.29Å; W193-A195 PolarHBondContact O-N 2.9Å
196	S	96.4	Very high	97.3	Very high	92 Å²	92	47.7 Å²	47.7	64%	0.643	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-39.9	176.7	-63.9	0	0	0	0	112.4	N180 N194	N180-S196 PolarHBondContact ND2-OG 3.13Å; N194-S196 VanDerWaalsContact C-N 3.26Å; N194-S196 PolarHBondContact O-N 2.87Å; N194-S196 WeakPolarHBondContact OD1-CA 3.24Å; N194-S196 WeakPolarHBondContact OD1-CB 3.46Å; N194-S196 PolarHBondContact OD1-N 3.31Å
197	T	97.1	Very high	97.1	Very high	85 Å²	85	48.1 Å²	48.1	52%	0.521	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-11.9	-177.2	65.6	0	0	0	0	113.7	N194 Q199	N194-T197 WeakPolarHBondContact CB-OG1 3.38Å; N194-T197 VanDerWaalsContact CG-OG1 3.25Å; N194-T197 PolarHBondContact O-N 2.72Å; N194-T197 PolarHBondContact OD1-N 2.98Å; N194-T197 PolarHBondContact OD1-OG1 3.03Å; T197-Q199 PolarHBondContact O-N 3.17Å; T197-Q199 WeakPolarHBondContact OG1-CB 3.29Å; T197-Q199 PolarHBondContact OG1-N 3.14Å
198	S	96.2	Very high	96.8	Very high	59 Å²	59	56 Å²	56	41%	0.413	31%	0.309	S	S	.	.			trans	58	14.7	-168.1	-61.4	0	0	0	0	115	K158 N194	K158-S198 PolarHBondContact NZ-OG 3.18Å; N194-S198 WeakPolarHBondContact O-CA 3.4Å; N194-S198 PolarHBondContact O-N 2.89Å
199	Q	97.6	Very high	96.5	Very high	121 Å²	121	63 Å²	63	57%	0.565	34%	0.344	S	S	*	.			trans	-70.4	135.6	176.3	-173.4	-179.7	13.4	0	0	110.8	W193 N194 T197 T201	W193-Q199 WeakPolarHBondContact CA-O 3.34Å; N194-Q199 PolarHBondContact N-O 3.48Å; T197-Q199 PolarHBondContact O-N 3.17Å; T197-Q199 WeakPolarHBondContact OG1-CB 3.29Å; T197-Q199 PolarHBondContact OG1-N 3.14Å; Q199-T201 HydrophobicContact CG-CG2 4.35Å
200	V	97.7	Very high	96.4	Very high	91 Å²	91	63.9 Å²	63.9	55%	0.552	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.2	173.6	-179.9	0	0	0	0	109.2	Y191 L192	Y191-V200 HydrophobicContact CD1-CG1 4.22Å; L192-V200 CarbonylContact O-C 3.55Å; L192-V200 WeakPolarHBondContact O-CA 3.39Å
201	T	97.4	Very high	96.3	Very high	36 Å²	36	65.7 Å²	65.7	22%	0.221	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.6	172.6	59.3	0	0	0	0	109.9	L192 Q199 L203	L192-T201 PolarHBondContact N-O 3.02Å; L192-T201 PolarHBondContact O-N 2.65Å; Q199-T201 HydrophobicContact CG-CG2 4.35Å; T201-L203 PolarHBondContact O-N 3.16Å
202	R	97.7	Very high	96.3	Very high	140 Å²	140	62 Å²	62	53%	0.528	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	118.6	166.2	-173.8	171.4	64.1	168.4	0.1	108.4	Y191 D205	Y191-R202 HydrophobicContact CD1-CB 3.92Å; Y191-R202 HydrophobicContact CD1-CG 4.31Å; Y191-R202 HydrophobicContact CE1-CB 3.69Å; Y191-R202 HydrophobicContact CE1-CG 3.92Å; R202-D205 IonicContact NH1-OD2 3.2Å; R202-D205 PolarHBondContact NH1-OD2 3.07Å
203	L	97.5	Very high	96.3	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.063	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-49.3	-177.7	-177.2	64.4	0	0	0	111.3	V190 L192 T201 I224 W236 Q241	V190-L203 HydrophobicContact CG1-CD2 4.41Å; V190-L203 PolarHBondContact O-N 2.71Å; L192-L203 HydrophobicContact CD1-CB 4.34Å; L192-L203 HydrophobicContact CD1-CD1 4.09Å; L192-L203 HydrophobicContact CD1-CD2 4.4Å; L192-L203 HydrophobicContact CD2-CD2 4.39Å; L192-L203 HydrophobicContact CG-CB 4.16Å; T201-L203 PolarHBondContact O-N 3.16Å; L203-I224 HydrophobicContact CD2-CD1 3.78Å; L203-W236 HydrophobicContact CD1-CE3 4.4Å; L203-W236 HydrophobicContact CD2-CB 3.91Å; L203-W236 HydrophobicContact CD2-CD2 4.45Å; L203-W236 HydrophobicContact CD2-CG 4.17Å; L203-W236 HydrophobicContact CG-CD2 4.5Å; L203-W236 HydrophobicContact CG-CE3 4.18Å; L203-Q241 HydrophobicContact CD1-CB 4.22Å; L203-Q241 HydrophobicContact CD1-CG 4.12Å
204	F	97.2	Very high	96.3	Very high	18 Å²	18	60.7 Å²	60.7	8%	0.079	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	174.4	173.4	66.7	-91.8	0	0	0	110.3	S189 V190 L206 V212 V226 W236	S189-F204 WeakPolarHBondContact CA-O 3.2Å; V190-F204 HydrophobicContact CB-CD1 4.45Å; V190-F204 HydrophobicContact CB-CE1 3.83Å; V190-F204 HydrophobicContact CB-CZ 3.94Å; V190-F204 HydrophobicContact CG2-CE1 3.73Å; V190-F204 HydrophobicContact CG2-CE2 4.16Å; V190-F204 HydrophobicContact CG2-CZ 3.37Å; V190-F204 PolarHBondContact N-O 3.47Å; F204-L206 HydrophobicContact CD2-CD2 4.1Å; F204-L206 HydrophobicContact CD2-CG 4.19Å; F204-L206 HydrophobicContact CE2-CD1 4.38Å; F204-L206 HydrophobicContact CE2-CD2 3.8Å; F204-L206 HydrophobicContact CE2-CG 3.79Å; F204-V212 HydrophobicContact CE2-CG2 4.42Å; F204-V226 HydrophobicContact CE1-CG2 3.86Å; F204-V226 HydrophobicContact CZ-CB 4.18Å; F204-V226 HydrophobicContact CZ-CG1 3.7Å; F204-V226 HydrophobicContact CZ-CG2 3.87Å; F204-W236 HydrophobicContact CB-CH2 3.38Å; F204-W236 HydrophobicContact CB-CZ2 3.66Å; F204-W236 HydrophobicContact CB-CZ3 3.85Å; F204-W236 AromaticContact CD1-CD2 3.56Å; F204-W236 HydrophobicContact CD1-CD2 3.56Å; F204-W236 AromaticContact CD1-CE2 3.26Å; F204-W236 AromaticContact CD1-CE3 3.96Å; F204-W236 HydrophobicContact CD1-CE3 3.96Å; F204-W236 HydrophobicContact CD1-CG 4.12Å; F204-W236 AromaticContact CD1-CH2 3.88Å; F204-W236 HydrophobicContact CD1-CH2 3.88Å; F204-W236 AromaticContact CD1-CZ2 3.45Å; F204-W236 HydrophobicContact CD1-CZ2 3.45Å; F204-W236 VanDerWaalsContact CD1-CZ2 3.45Å; F204-W236 HydrophobicContact CD1-CZ3 4.11Å; F204-W236 AromaticContact CD1-NE1 3.62Å; F204-W236 HydrophobicContact CD2-CZ2 4.07Å; F204-W236 AromaticContact CE1-CD1 3.74Å; F204-W236 AromaticContact CE1-CD2 3.99Å; F204-W236 HydrophobicContact CE1-CD2 3.99Å; F204-W236 AromaticContact CE1-CE2 3.62Å; F204-W236 HydrophobicContact CE1-CG 4.09Å; F204-W236 HydrophobicContact CE1-CZ2 4.14Å; F204-W236 AromaticContact CE1-NE1 3.43Å; F204-W236 HydrophobicContact CG-CD2 4.38Å; F204-W236 AromaticContact CG-CE2 3.78Å; F204-W236 AromaticContact CG-CH2 3.73Å; F204-W236 HydrophobicContact CG-CH2 3.73Å; F204-W236 AromaticContact CG-CZ2 3.43Å; F204-W236 HydrophobicContact CG-CZ2 3.43Å; F204-W236 VanDerWaalsContact CG-CZ2 3.43Å; F204-W236 HydrophobicContact CG-CZ3 4.3Å; F204-W236 AromaticContact CZ-NE1 3.99Å
205	D	97	Very high	96.4	Very high	77 Å²	77	58.9 Å²	58.9	41%	0.412	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.2	175.2	-169.5	-9	0	0	0	108.1	S189 R202 G207	S189-D205 WeakPolarHBondContact OG-CB 3.31Å; S189-D205 PolarHBondContact OG-OD1 2.8Å; S189-D205 PolarHBondContact OG-OD2 3.11Å; R202-D205 IonicContact NH1-OD2 3.2Å; R202-D205 PolarHBondContact NH1-OD2 3.07Å; D205-G207 VanDerWaalsContact C-N 3.28Å; D205-G207 PolarHBondContact OD1-N 3.2Å; D205-G207 VanDerWaalsContact OD1-N 3.09Å
206	L	95	Very high	96.4	Very high	44 Å²	44	59.6 Å²	59.6	23%	0.23	33%	0.332	C	S	.	.			trans	-77.6	-16.2	178.6	-61.9	169.1	0	0	0	112.3	A188 F204 D210 V212 T228	A188-L206 HydrophobicContact CB-CB 4.27Å; A188-L206 WeakPolarHBondContact O-CG 3.19Å; A188-L206 PolarHBondContact O-N 2.86Å; F204-L206 HydrophobicContact CD2-CD2 4.1Å; F204-L206 HydrophobicContact CD2-CG 4.19Å; F204-L206 HydrophobicContact CE2-CD1 4.38Å; F204-L206 HydrophobicContact CE2-CD2 3.8Å; F204-L206 HydrophobicContact CE2-CG 3.79Å; L206-D210 HydrophobicContact CB-CB 4.24Å; L206-D210 HydrophobicContact CD1-CB 4.22Å; L206-V212 HydrophobicContact CD1-CG2 4.07Å; L206-T228 HydrophobicContact CD1-CG2 3.74Å; L206-T228 HydrophobicContact CD2-CG2 4.36Å
207	G	93	Very high	96.5	Very high	25 Å²	25	55.9 Å²	55.9	26%	0.258	30%	0.304	S	S	.	.			trans	75.7	-174	-170.5	0	0	0	0	0	113.1	A188 D205 N209	A188-G207 WeakPolarHBondContact CB-O 3.44Å; D205-G207 VanDerWaalsContact C-N 3.28Å; D205-G207 PolarHBondContact OD1-N 3.2Å; D205-G207 VanDerWaalsContact OD1-N 3.09Å; G207-N209 PolarHBondContact O-N 3.02Å; G207-N209 VanDerWaalsContact O-N 3.08Å
208	D	90.3	Very high	96.6	Very high	173 Å²	173	52 Å²	52	93%	0.925	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.1	-164.5	-56.6	-30	0	0	0	115.8
209	N	91	Very high	96.5	Very high	167 Å²	167	52.3 Å²	52.3	89%	0.893	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.9	-170.6	-67.6	-39.8	0	0	0	114.3	G207	G207-N209 PolarHBondContact O-N 3.02Å; G207-N209 VanDerWaalsContact O-N 3.08Å
210	D	94.6	Very high	96.4	Very high	27 Å²	27	50.4 Å²	50.4	14%	0.144	27%	0.271	C	S	.	.			trans	-149.9	160.4	-175.6	-161.8	2.3	0	0	0	110.4	A188 L206 T228 D229 D230	A188-D210 WeakPolarHBondContact CB-O 3.29Å; L206-D210 HydrophobicContact CB-CB 4.24Å; L206-D210 HydrophobicContact CD1-CB 4.22Å; D210-T228 WeakPolarHBondContact OD2-CB 3.26Å; D210-D229 WeakPolarHBondContact OD1-CA 3.28Å; D210-D229 WeakPolarHBondContact OD1-CB 3.3Å; D210-D229 PolarHBondContact OD1-N 3.25Å; D210-D230 PolarHBondContact OD1-N 3.45Å; D210-D230 VanDerWaalsContact OD2-CG 3.3Å
211	S	97	Very high	96.3	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	25%	0.246	S	C	.	.			trans	-134	153	-179.5	63.7	0	0	0	0	111.5	T213 T228 D229	S211-T213 PolarHBondContact O-N 3.49Å; S211-T228 CarbonylContact O-C 3.55Å; S211-T228 VanDerWaalsContact O-CA 3.28Å; S211-T228 WeakPolarHBondContact O-CA 3.46Å; S211-D229 PolarHBondContact O-N 3.2Å
212	V	98.3	Very high	96.3	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.6	176.4	-179.9	0	0	0	0	108.5	L173 G187 V190 F204 L206 V215 V226	L173-V212 HydrophobicContact CD2-CG1 4.2Å; L173-V212 WeakPolarHBondContact CD2-O 3.32Å; G187-V212 PolarHBondContact O-N 2.82Å; V190-V212 HydrophobicContact CG2-CB 4.45Å; V190-V212 HydrophobicContact CG2-CG1 3.96Å; V190-V212 HydrophobicContact CG2-CG2 3.72Å; F204-V212 HydrophobicContact CE2-CG2 4.42Å; L206-V212 HydrophobicContact CD1-CG2 4.07Å; V212-V215 HydrophobicContact CG1-CG1 3.79Å; V212-V226 HydrophobicContact CG1-CG1 3.92Å; V212-V226 HydrophobicContact CG2-CG1 4.43Å
213	T	98.6	Very high	96.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-21.7	-177.6	58.1	0	0	0	0	113.3	L171 N172 S211 G227 T228 D229 R253 V254	L171-T213 WeakPolarHBondContact CA-O 3.41Å; L171-T213 HydrophobicContact CD2-CG2 3.85Å; N172-T213 PolarHBondContact N-O 2.98Å; S211-T213 PolarHBondContact O-N 3.49Å; T213-G227 PolarHBondContact N-O 2.88Å; T213-G227 PolarHBondContact OG1-O 3.2Å; T213-G227 VanDerWaalsContact OG1-O 3.13Å; T213-T228 WeakPolarHBondContact OG1-CA 3.19Å; T213-T228 PolarHBondContact OG1-N 3.43Å; T213-T228 PolarHBondContact OG1-O 3.29Å; T213-D229 HydrophobicContact CG2-CB 3.91Å; T213-R253 HydrophobicContact CG2-CB 4.13Å; T213-V254 PolarHBondContact OG1-O 3.01Å
214	A	98.6	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147.3	171.5	0	0	0	0	0	112.6	N172 V226 G227 V254 I257	N172-A214 HydrophobicContact CB-CB 4.46Å; N172-A214 CarbonylContact O-C 3.54Å; N172-A214 VanDerWaalsContact O-CA 3.26Å; N172-A214 WeakPolarHBondContact O-CA 3.49Å; A214-V226 CarbonylContact O-C 3.52Å; A214-V226 VanDerWaalsContact O-CA 3.31Å; A214-V226 WeakPolarHBondContact O-CA 3.19Å; A214-G227 PolarHBondContact N-O 3.34Å; A214-G227 PolarHBondContact O-N 2.91Å; A214-V254 VanDerWaalsContact CB-O 3.29Å; A214-V254 WeakPolarHBondContact CB-O 3.12Å; A214-I257 HydrophobicContact CB-CD1 4.02Å; A214-I257 HydrophobicContact CB-CG1 4.04Å
215	V	98.6	Very high	96.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	166.3	-61	0	0	0	0	109.8	N172 L173 D175 A183 V190 V212 A225 V226	N172-V215 PolarHBondContact O-N 3.02Å; L173-V215 WeakPolarHBondContact O-CG2 3.13Å; D175-V215 HydrophobicContact CB-CG2 4.37Å; A183-V215 HydrophobicContact CB-CG2 4.49Å; V190-V215 HydrophobicContact CG1-CG1 4.44Å; V190-V215 HydrophobicContact CG2-CG1 4.01Å; V212-V215 HydrophobicContact CG1-CG1 3.79Å; V215-A225 WeakPolarHBondContact CA-O 3.08Å; V215-V226 HydrophobicContact CG1-CG2 4.48Å
216	N	98.6	Very high	96.4	Very high	39 Å²	39	36.8 Å²	36.8	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	128	173.4	-153.7	-112.4	0	0	0	111.6	D175 A225 I257 W259	D175-N216 WeakPolarHBondContact OD2-CA 3.33Å; D175-N216 PolarHBondContact OD2-ND2 3Å; N216-A225 PolarHBondContact N-O 2.9Å; N216-A225 PolarHBondContact O-N 2.5Å; N216-I257 HydrophobicContact CB-CB 3.92Å; N216-I257 HydrophobicContact CB-CG2 3.98Å; N216-W259 PolarHBondContact O-NE1 2.87Å; N216-W259 VanDerWaalsContact OD1-CD1 3.31Å
217	W	98.6	Very high	96.6	Very high	14 Å²	14	34.7 Å²	34.7	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139.6	176.4	-73.6	99.9	0	0	0	111.3	D175 S177 V181 A183 L192 G221 I224 A238	D175-W217 PolarHBondContact O-NE1 3.5Å; D175-W217 PolarHBondContact OD2-N 3.13Å; S177-W217 VanDerWaalsContact CB-CG 3.48Å; V181-W217 HydrophobicContact CB-CH2 4.22Å; V181-W217 HydrophobicContact CB-CZ2 4.02Å; V181-W217 HydrophobicContact CG1-CH2 4.07Å; V181-W217 HydrophobicContact CG1-CZ2 3.81Å; V181-W217 PolarHBondContact O-NE1 2.82Å; A183-W217 HydrophobicContact CB-CZ2 3.92Å; A183-W217 VanDerWaalsContact CB-NE1 3.28Å; L192-W217 HydrophobicContact CD1-CH2 4.33Å; L192-W217 HydrophobicContact CD2-CH2 4.3Å; L192-W217 HydrophobicContact CD2-CZ2 3.92Å; W217-G221 WeakPolarHBondContact CZ3-O 3.21Å; W217-I224 HydrophobicContact CD2-CD1 4.22Å; W217-I224 HydrophobicContact CD2-CG1 3.67Å; W217-I224 HydrophobicContact CE3-CD1 4.11Å; W217-I224 HydrophobicContact CE3-CG1 3.35Å; W217-I224 HydrophobicContact CH2-CD1 3.29Å; W217-I224 HydrophobicContact CH2-CG1 3.5Å; W217-I224 VanDerWaalsContact CH2-CG1 3.5Å; W217-I224 HydrophobicContact CZ2-CD1 3.4Å; W217-I224 VanDerWaalsContact CZ2-CD1 3.4Å; W217-I224 HydrophobicContact CZ2-CG1 3.79Å; W217-I224 HydrophobicContact CZ3-CD1 3.66Å; W217-I224 HydrophobicContact CZ3-CG1 3.26Å; W217-A238 HydrophobicContact CH2-CB 3.69Å; W217-A238 HydrophobicContact CZ3-CB 3.6Å
218	S	97.7	Very high	96.9	Very high	5 Å²	5	33.5 Å²	33.5	4%	0.035	18%	0.184	C	C	.	.			trans	-58.1	155	163.7	52.8	0	0	0	0	111.9	N220 G221 D222 T223	S218-N220 VanDerWaalsContact CB-OD1 3.29Å; S218-N220 WeakPolarHBondContact CB-OD1 3.3Å; S218-N220 PolarHBondContact O-N 3.08Å; S218-N220 VanDerWaalsContact O-N 3.13Å; S218-N220 PolarHBondContact OG-OD1 3.05Å; S218-G221 PolarHBondContact O-N 2.86Å; S218-D222 PolarHBondContact OG-N 2.86Å; S218-T223 VanDerWaalsContact CB-O 3.32Å; S218-T223 WeakPolarHBondContact CB-O 3.29Å; S218-T223 PolarHBondContact N-O 3.08Å; S218-T223 WeakPolarHBondContact OG-CA 3.39Å; S218-T223 PolarHBondContact OG-N 2.96Å; S218-T223 PolarHBondContact OG-O 3.19Å
219	N	95.1	Very high	97.2	Very high	64 Å²	64	28.7 Å²	28.7	34%	0.342	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.1	-174.8	-57.1	104.7	0	0	0	114	K178 N261	K178-N219 WeakPolarHBondContact CD-O 3.44Å; N219-N261 PolarHBondContact OD1-N 3.26Å
220	N	95.6	Very high	97.5	Very high	81 Å²	81	25.1 Å²	25.1	43%	0.433	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-15.1	173.1	59.3	-13.6	0	0	0	113.5	S218 D222	S218-N220 VanDerWaalsContact CB-OD1 3.29Å; S218-N220 WeakPolarHBondContact CB-OD1 3.3Å; S218-N220 PolarHBondContact O-N 3.08Å; S218-N220 VanDerWaalsContact O-N 3.13Å; S218-N220 PolarHBondContact OG-OD1 3.05Å; N220-D222 VanDerWaalsContact CG-OD2 3.29Å; N220-D222 PolarHBondContact ND2-OD2 3.09Å; N220-D222 PolarHBondContact OD1-N 3.24Å
221	G	96	Very high	97.5	Very high	3 Å²	3	24 Å²	24	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	77.3	19.9	-179.5	0	0	0	0	0	114.6	W217 S218	W217-G221 WeakPolarHBondContact CZ3-O 3.21Å; S218-G221 PolarHBondContact O-N 2.86Å
222	D	96.6	Very high	97.5	Very high	53 Å²	53	22.5 Å²	22.5	28%	0.283	12%	0.123	S	C	.	.	S	Bend	trans	-95	-38	-179.5	-71.4	-44.3	0	0	0	112.8	K179 S218 N220 A238	K179-D222 WeakPolarHBondContact CE-OD1 3.35Å; K179-D222 IonicContact NZ-OD1 3.61Å; K179-D222 PolarHBondContact NZ-OD1 2.65Å; K179-D222 IonicContact NZ-OD2 3.62Å; S218-D222 PolarHBondContact OG-N 2.86Å; N220-D222 VanDerWaalsContact CG-OD2 3.29Å; N220-D222 PolarHBondContact ND2-OD2 3.09Å; N220-D222 PolarHBondContact OD1-N 3.24Å; D222-A238 WeakPolarHBondContact O-CB 3.47Å; D222-A238 PolarHBondContact O-N 2.75Å
223	T	97.5	Very high	97.4	Very high	32 Å²	32	22.6 Å²	22.6	20%	0.196	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142	-176.6	-49.5	0	0	0	0	110.4	S218 L235 W236 W259	S218-T223 VanDerWaalsContact CB-O 3.32Å; S218-T223 WeakPolarHBondContact CB-O 3.29Å; S218-T223 PolarHBondContact N-O 3.08Å; S218-T223 WeakPolarHBondContact OG-CA 3.39Å; S218-T223 PolarHBondContact OG-N 2.96Å; S218-T223 PolarHBondContact OG-O 3.19Å; T223-L235 HydrophobicContact CG2-CB 4.07Å; T223-W236 CarbonylContact C-O 3.54Å; T223-W236 VanDerWaalsContact CA-O 3.25Å; T223-W236 WeakPolarHBondContact CA-O 3.42Å; T223-W236 WeakPolarHBondContact CG2-O 3.42Å; T223-W259 HydrophobicContact CG2-CH2 4Å; T223-W259 HydrophobicContact CG2-CZ2 4.18Å
224	I	98	Very high	97.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.4	171.9	-53.4	175.8	0	0	0	108.1	A183 L192 L203 W217 V226 L235 W236 A238	A183-I224 HydrophobicContact CB-CD1 4.21Å; L192-I224 HydrophobicContact CD1-CD1 4.17Å; L192-I224 HydrophobicContact CD2-CD1 3.37Å; L192-I224 HydrophobicContact CG-CD1 4.42Å; L203-I224 HydrophobicContact CD2-CD1 3.78Å; W217-I224 HydrophobicContact CD2-CD1 4.22Å; W217-I224 HydrophobicContact CD2-CG1 3.67Å; W217-I224 HydrophobicContact CE3-CD1 4.11Å; W217-I224 HydrophobicContact CE3-CG1 3.35Å; W217-I224 HydrophobicContact CH2-CD1 3.29Å; W217-I224 HydrophobicContact CH2-CG1 3.5Å; W217-I224 VanDerWaalsContact CH2-CG1 3.5Å; W217-I224 HydrophobicContact CZ2-CD1 3.4Å; W217-I224 VanDerWaalsContact CZ2-CD1 3.4Å; W217-I224 HydrophobicContact CZ2-CG1 3.79Å; W217-I224 HydrophobicContact CZ3-CD1 3.66Å; W217-I224 HydrophobicContact CZ3-CG1 3.26Å; I224-V226 HydrophobicContact CG2-CG2 3.96Å; I224-L235 WeakPolarHBondContact O-CA 3.4Å; I224-W236 PolarHBondContact N-O 3.46Å; I224-W236 PolarHBondContact O-N 2.93Å; I224-A238 HydrophobicContact CD1-CB 4.31Å; I224-A238 HydrophobicContact CG1-CB 4.41Å
225	A	98.3	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.9	164.8	0	0	0	0	0	109.4	V215 N216 Q234 L235 I257 W259 V264	V215-A225 WeakPolarHBondContact CA-O 3.08Å; N216-A225 PolarHBondContact N-O 2.9Å; N216-A225 PolarHBondContact O-N 2.5Å; A225-Q234 CarbonylContact C-O 3.58Å; A225-Q234 WeakPolarHBondContact CA-O 3.49Å; A225-L235 HydrophobicContact CB-CD2 3.63Å; A225-I257 HydrophobicContact CB-CD1 4.05Å; A225-I257 HydrophobicContact CB-CG2 3.76Å; A225-W259 HydrophobicContact CB-CZ2 3.74Å; A225-V264 HydrophobicContact CB-CG1 4.26Å
226	V	98.5	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.5	-179.2	-178.5	0	0	0	0	108.7	V190 F204 V212 A214 V215 I224 C233 Q234	V190-V226 HydrophobicContact CG2-CG1 4.36Å; V190-V226 HydrophobicContact CG2-CG2 4.4Å; F204-V226 HydrophobicContact CE1-CG2 3.86Å; F204-V226 HydrophobicContact CZ-CB 4.18Å; F204-V226 HydrophobicContact CZ-CG1 3.7Å; F204-V226 HydrophobicContact CZ-CG2 3.87Å; V212-V226 HydrophobicContact CG1-CG1 3.92Å; V212-V226 HydrophobicContact CG2-CG1 4.43Å; A214-V226 CarbonylContact O-C 3.52Å; A214-V226 VanDerWaalsContact O-CA 3.31Å; A214-V226 WeakPolarHBondContact O-CA 3.19Å; V215-V226 HydrophobicContact CG1-CG2 4.48Å; I224-V226 HydrophobicContact CG2-CG2 3.96Å; V226-C233 CarbonylContact O-C 3.56Å; V226-C233 VanDerWaalsContact O-CA 3.27Å; V226-C233 WeakPolarHBondContact O-CA 3.45Å; V226-Q234 PolarHBondContact N-O 2.89Å; V226-Q234 PolarHBondContact O-N 2.85Å
227	G	98.4	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.1	169	0	0	0	0	0	110	T213 A214 I257	T213-G227 PolarHBondContact N-O 2.88Å; T213-G227 PolarHBondContact OG1-O 3.2Å; T213-G227 VanDerWaalsContact OG1-O 3.13Å; A214-G227 PolarHBondContact N-O 3.34Å; A214-G227 PolarHBondContact O-N 2.91Å; G227-I257 VanDerWaalsContact N-CD1 3.34Å
228	T	98.3	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	173.1	-179.2	61	0	0	0	0	111.8	L206 D210 S211 T213 D230 T232 R253 V254	L206-T228 HydrophobicContact CD1-CG2 3.74Å; L206-T228 HydrophobicContact CD2-CG2 4.36Å; D210-T228 WeakPolarHBondContact OD2-CB 3.26Å; S211-T228 CarbonylContact O-C 3.55Å; S211-T228 VanDerWaalsContact O-CA 3.28Å; S211-T228 WeakPolarHBondContact O-CA 3.46Å; T213-T228 WeakPolarHBondContact OG1-CA 3.19Å; T213-T228 PolarHBondContact OG1-N 3.43Å; T213-T228 PolarHBondContact OG1-O 3.29Å; T228-D230 PolarHBondContact OG1-OD1 3.32Å; T228-T232 WeakPolarHBondContact CG2-OG1 3.3Å; T228-T232 PolarHBondContact N-O 2.8Å; T228-T232 VanDerWaalsContact N-O 3.13Å; T228-T232 PolarHBondContact OG1-N 2.87Å; T228-T232 PolarHBondContact OG1-O 2.94Å; T228-T232 PolarHBondContact OG1-OG1 3.22Å; T228-R253 VanDerWaalsContact O-CA 3.3Å; T228-R253 WeakPolarHBondContact O-CA 3.2Å; T228-V254 PolarHBondContact O-N 2.74Å
229	D	97.8	Very high	96.8	Very high	73 Å²	73	29.9 Å²	29.9	39%	0.39	18%	0.176	S	C	.	.	S	Bend	trans	-75.9	-30.9	177.9	-163.7	66.3	0	0	0	112	D210 S211 T213 G231 R253	D210-D229 WeakPolarHBondContact OD1-CA 3.28Å; D210-D229 WeakPolarHBondContact OD1-CB 3.3Å; D210-D229 PolarHBondContact OD1-N 3.25Å; S211-D229 PolarHBondContact O-N 3.2Å; T213-D229 HydrophobicContact CG2-CB 3.91Å; D229-G231 PolarHBondContact O-N 2.76Å; D229-R253 HydrophobicContact CB-CB 4.43Å; D229-R253 WeakPolarHBondContact O-CA 3.38Å; D229-R253 WeakPolarHBondContact O-CB 3.4Å; D229-R253 PolarHBondContact O-N 3.5Å; D229-R253 VanDerWaalsContact O-N 3.11Å; D229-R253 WeakPolarHBondContact OD1-CB 3.4Å; D229-R253 WeakPolarHBondContact OD1-CD 3.37Å
230	D	96.4	Very high	96.9	Very high	91 Å²	91	29.3 Å²	29.3	49%	0.487	18%	0.179	S	C	.	.	S	Bend	trans	-69.4	-8.9	176.4	85.3	-21	0	0	0	114.5	D210 T228 T232	D210-D230 PolarHBondContact OD1-N 3.45Å; D210-D230 VanDerWaalsContact OD2-CG 3.3Å; T228-D230 PolarHBondContact OG1-OD1 3.32Å; D230-T232 VanDerWaalsContact OD1-CB 3.29Å; D230-T232 WeakPolarHBondContact OD1-CB 3.39Å; D230-T232 VanDerWaalsContact OD1-CG2 3.25Å; D230-T232 WeakPolarHBondContact OD1-CG2 3.47Å; D230-T232 PolarHBondContact OD1-N 3.38Å; D230-T232 PolarHBondContact OD1-OG1 3.16Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.37Å
231	G	96.2	Very high	96.9	Very high	3 Å²	3	30 Å²	30	3%	0.031	18%	0.18	C	C	.	.	S	Bend	trans	92	7	-179.6	0	0	0	0	0	114.5	D229 H250 S252	D229-G231 PolarHBondContact O-N 2.76Å; G231-H250 WeakPolarHBondContact O-CB 3.41Å; G231-S252 WeakPolarHBondContact CA-O 3.38Å
232	T	95.6	Very high	96.9	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.055	21%	0.209	C	C	.	.			trans	-75.7	147	170.5	63.6	0	0	0	0	111.5	T228 D230 L248	T228-T232 WeakPolarHBondContact CG2-OG1 3.3Å; T228-T232 PolarHBondContact N-O 2.8Å; T228-T232 VanDerWaalsContact N-O 3.13Å; T228-T232 PolarHBondContact OG1-N 2.87Å; T228-T232 PolarHBondContact OG1-O 2.94Å; T228-T232 PolarHBondContact OG1-OG1 3.22Å; D230-T232 VanDerWaalsContact OD1-CB 3.29Å; D230-T232 WeakPolarHBondContact OD1-CB 3.39Å; D230-T232 VanDerWaalsContact OD1-CG2 3.25Å; D230-T232 WeakPolarHBondContact OD1-CG2 3.47Å; D230-T232 PolarHBondContact OD1-N 3.38Å; D230-T232 PolarHBondContact OD1-OG1 3.16Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.37Å; T232-L248 HydrophobicContact CG2-CD2 3.61Å
233	C	95.9	Very high	96.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.1	167.6	-176.7	0	0	0	0	108.6	V226 W247	V226-C233 CarbonylContact O-C 3.56Å; V226-C233 VanDerWaalsContact O-CA 3.27Å; V226-C233 WeakPolarHBondContact O-CA 3.45Å; C233-W247 HydrophobicContact CB-CB 4.4Å; C233-W247 HydrophobicContact CB-CE3 4.15Å; C233-W247 PolarHBondContact N-O 2.77Å; C233-W247 WeakPolarHBondContact O-CB 3.48Å; C233-W247 PolarHBondContact O-N 3.17Å
234	Q	95.8	Very high	96.7	Very high	19 Å²	19	40.8 Å²	40.8	9%	0.089	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.5	-176.5	-54.6	-177.4	6.5	0	0	110.4	A225 V226 S245	A225-Q234 CarbonylContact C-O 3.58Å; A225-Q234 WeakPolarHBondContact CA-O 3.49Å; V226-Q234 PolarHBondContact N-O 2.89Å; V226-Q234 PolarHBondContact O-N 2.85Å; Q234-S245 WeakPolarHBondContact CA-O 3.44Å
235	L	96.6	Very high	96.5	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135	168.5	-56.7	-176.3	0	0	0	110.1	T223 I224 A225 Q243 V244 S245 W247 W259 V264 V278	T223-L235 HydrophobicContact CG2-CB 4.07Å; I224-L235 WeakPolarHBondContact O-CA 3.4Å; A225-L235 HydrophobicContact CB-CD2 3.63Å; L235-Q243 CarbonylContact O-C 3.59Å; L235-Q243 WeakPolarHBondContact O-CA 3.36Å; L235-V244 HydrophobicContact CB-CB 4.5Å; L235-V244 PolarHBondContact O-N 3.28Å; L235-S245 PolarHBondContact N-O 2.86Å; L235-S245 PolarHBondContact O-N 3.37Å; L235-W247 HydrophobicContact CD1-CH2 3.58Å; L235-W247 HydrophobicContact CD1-CZ2 3.57Å; L235-W247 HydrophobicContact CD1-CZ3 4.28Å; L235-W247 HydrophobicContact CD2-CH2 3.98Å; L235-W247 HydrophobicContact CD2-CZ3 3.92Å; L235-W247 HydrophobicContact CG-CH2 3.97Å; L235-W247 HydrophobicContact CG-CZ2 4.17Å; L235-W247 HydrophobicContact CG-CZ3 4.18Å; L235-W259 HydrophobicContact CD1-CH2 4.44Å; L235-W259 HydrophobicContact CD2-CH2 4.02Å; L235-W259 HydrophobicContact CD2-CZ2 3.81Å; L235-V264 HydrophobicContact CD2-CG2 4.44Å; L235-V278 HydrophobicContact CD1-CB 4.22Å; L235-V278 HydrophobicContact CD1-CG1 3.7Å
236	W	97.7	Very high	96.2	Very high	28 Å²	28	44 Å²	44	11%	0.106	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.9	-178.1	-71.6	82.2	0	0	0	110.6	L203 F204 T223 I224 A238 K242 Q243	L203-W236 HydrophobicContact CD1-CE3 4.4Å; L203-W236 HydrophobicContact CD2-CB 3.91Å; L203-W236 HydrophobicContact CD2-CD2 4.45Å; L203-W236 HydrophobicContact CD2-CG 4.17Å; L203-W236 HydrophobicContact CG-CD2 4.5Å; L203-W236 HydrophobicContact CG-CE3 4.18Å; F204-W236 HydrophobicContact CB-CH2 3.38Å; F204-W236 HydrophobicContact CB-CZ2 3.66Å; F204-W236 HydrophobicContact CB-CZ3 3.85Å; F204-W236 AromaticContact CD1-CD2 3.56Å; F204-W236 HydrophobicContact CD1-CD2 3.56Å; F204-W236 AromaticContact CD1-CE2 3.26Å; F204-W236 AromaticContact CD1-CE3 3.96Å; F204-W236 HydrophobicContact CD1-CE3 3.96Å; F204-W236 HydrophobicContact CD1-CG 4.12Å; F204-W236 AromaticContact CD1-CH2 3.88Å; F204-W236 HydrophobicContact CD1-CH2 3.88Å; F204-W236 AromaticContact CD1-CZ2 3.45Å; F204-W236 HydrophobicContact CD1-CZ2 3.45Å; F204-W236 VanDerWaalsContact CD1-CZ2 3.45Å; F204-W236 HydrophobicContact CD1-CZ3 4.11Å; F204-W236 AromaticContact CD1-NE1 3.62Å; F204-W236 HydrophobicContact CD2-CZ2 4.07Å; F204-W236 AromaticContact CE1-CD1 3.74Å; F204-W236 AromaticContact CE1-CD2 3.99Å; F204-W236 HydrophobicContact CE1-CD2 3.99Å; F204-W236 AromaticContact CE1-CE2 3.62Å; F204-W236 HydrophobicContact CE1-CG 4.09Å; F204-W236 HydrophobicContact CE1-CZ2 4.14Å; F204-W236 AromaticContact CE1-NE1 3.43Å; F204-W236 HydrophobicContact CG-CD2 4.38Å; F204-W236 AromaticContact CG-CE2 3.78Å; F204-W236 AromaticContact CG-CH2 3.73Å; F204-W236 HydrophobicContact CG-CH2 3.73Å; F204-W236 AromaticContact CG-CZ2 3.43Å; F204-W236 HydrophobicContact CG-CZ2 3.43Å; F204-W236 VanDerWaalsContact CG-CZ2 3.43Å; F204-W236 HydrophobicContact CG-CZ3 4.3Å; F204-W236 AromaticContact CZ-NE1 3.99Å; T223-W236 CarbonylContact C-O 3.54Å; T223-W236 VanDerWaalsContact CA-O 3.25Å; T223-W236 WeakPolarHBondContact CA-O 3.42Å; T223-W236 WeakPolarHBondContact CG2-O 3.42Å; I224-W236 PolarHBondContact N-O 3.46Å; I224-W236 PolarHBondContact O-N 2.93Å; W236-A238 PolarHBondContact O-N 2.77Å; W236-K242 WeakPolarHBondContact CA-O 3.49Å; W236-Q243 HydrophobicContact CD2-CB 4.06Å; W236-Q243 HydrophobicContact CE3-CB 4.17Å; W236-Q243 VanDerWaalsContact CE3-N 3.28Å; W236-Q243 HydrophobicContact CH2-CB 3.88Å; W236-Q243 HydrophobicContact CZ2-CB 3.78Å; W236-Q243 HydrophobicContact CZ2-CG 4.21Å; W236-Q243 HydrophobicContact CZ3-CB 4.08Å
237	D	97.2	Very high	95.9	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.294	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	114.4	165.1	-176.8	-37.1	0	0	0	107.6	A239 A240 Q241 K242 V244	D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 3.13Å; D237-A239 PolarHBondContact OD1-N 3.39Å; D237-A240 HydrophobicContact CB-CB 4Å; D237-A240 PolarHBondContact OD1-N 3.18Å; D237-Q241 VanDerWaalsContact O-CA 3.32Å; D237-Q241 WeakPolarHBondContact O-CA 3.29Å; D237-Q241 PolarHBondContact O-N 2.86Å; D237-K242 PolarHBondContact N-O 2.98Å; D237-K242 PolarHBondContact O-N 3.35Å; D237-V244 HydrophobicContact CB-CG2 3.68Å
238	A	96.2	Very high	95.6	Very high	18 Å²	18	50.8 Å²	50.8	15%	0.149	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.4	-174.7	0	0	0	0	0	112.7	L192 W217 D222 I224 W236	L192-A238 HydrophobicContact CD1-CB 4.21Å; W217-A238 HydrophobicContact CH2-CB 3.69Å; W217-A238 HydrophobicContact CZ3-CB 3.6Å; D222-A238 WeakPolarHBondContact O-CB 3.47Å; D222-A238 PolarHBondContact O-N 2.75Å; I224-A238 HydrophobicContact CD1-CB 4.31Å; I224-A238 HydrophobicContact CG1-CB 4.41Å; W236-A238 PolarHBondContact O-N 2.77Å
239	A	95.4	Very high	95.2	Very high	93 Å²	93	52.8 Å²	52.8	77%	0.769	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-43	179.9	0	0	0	0	0	111.2	D237 Q241	D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 3.13Å; D237-A239 PolarHBondContact OD1-N 3.39Å; A239-Q241 VanDerWaalsContact C-N 3.28Å
240	A	96.8	Very high	95.1	Very high	51 Å²	51	50 Å²	50	42%	0.421	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.4	177.3	0	0	0	0	0	113.2	D237 K242	D237-A240 HydrophobicContact CB-CB 4Å; D237-A240 PolarHBondContact OD1-N 3.18Å; A240-K242 HydrophobicContact CB-CB 4.36Å; A240-K242 WeakPolarHBondContact O-CG 3.29Å; A240-K242 PolarHBondContact O-N 3Å
241	Q	95.5	Very high	95.1	Very high	96 Å²	96	50.7 Å²	50.7	45%	0.449	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	44.6	-173.3	-61.7	-175.8	-26	0	0	112.1	L203 D237 A239	L203-Q241 HydrophobicContact CD1-CB 4.22Å; L203-Q241 HydrophobicContact CD1-CG 4.12Å; D237-Q241 VanDerWaalsContact O-CA 3.32Å; D237-Q241 WeakPolarHBondContact O-CA 3.29Å; D237-Q241 PolarHBondContact O-N 2.86Å; A239-Q241 VanDerWaalsContact C-N 3.28Å
242	K	96.7	Very high	95.2	Very high	144 Å²	144	52.1 Å²	52.1	63%	0.626	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	141	-176	-76.9	177	-176.1	-177.8	0	111.1	W236 D237 A240 V244	W236-K242 WeakPolarHBondContact CA-O 3.49Å; D237-K242 PolarHBondContact N-O 2.98Å; D237-K242 PolarHBondContact O-N 3.35Å; A240-K242 HydrophobicContact CB-CB 4.36Å; A240-K242 WeakPolarHBondContact O-CG 3.29Å; A240-K242 PolarHBondContact O-N 3Å; K242-V244 PolarHBondContact O-N 3.43Å
243	Q	95.7	Very high	95.3	Very high	86 Å²	86	52.8 Å²	52.8	40%	0.402	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	119.4	168.3	-169.8	178.6	6.8	0	0	109.1	L235 W236 S245 S246	L235-Q243 CarbonylContact O-C 3.59Å; L235-Q243 WeakPolarHBondContact O-CA 3.36Å; W236-Q243 HydrophobicContact CD2-CB 4.06Å; W236-Q243 HydrophobicContact CE3-CB 4.17Å; W236-Q243 VanDerWaalsContact CE3-N 3.28Å; W236-Q243 HydrophobicContact CH2-CB 3.88Å; W236-Q243 HydrophobicContact CZ2-CB 3.78Å; W236-Q243 HydrophobicContact CZ2-CG 4.21Å; W236-Q243 HydrophobicContact CZ3-CB 4.08Å; Q243-S245 WeakPolarHBondContact CG-O 3.43Å; Q243-S245 PolarHBondContact NE2-O 3.01Å; Q243-S246 VanDerWaalsContact NE2-CB 3.31Å
244	V	94.1	Very high	95.4	Very high	85 Å²	85	52.7 Å²	52.7	52%	0.515	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-33.8	176.7	-179.2	0	0	0	0	110.2	L235 D237 K242	L235-V244 HydrophobicContact CB-CB 4.5Å; L235-V244 PolarHBondContact O-N 3.28Å; D237-V244 HydrophobicContact CB-CG2 3.68Å; K242-V244 PolarHBondContact O-N 3.43Å
245	S	92.8	Very high	95.5	Very high	11 Å²	11	51.8 Å²	51.8	8%	0.077	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	151.6	-168.8	-64.4	0	0	0	0	112.1	Q234 L235 Q243 H282	Q234-S245 WeakPolarHBondContact CA-O 3.44Å; L235-S245 PolarHBondContact N-O 2.86Å; L235-S245 PolarHBondContact O-N 3.37Å; Q243-S245 WeakPolarHBondContact CG-O 3.43Å; Q243-S245 PolarHBondContact NE2-O 3.01Å; S245-H282 WeakPolarHBondContact CB-CE1 3.49Å; S245-H282 WeakPolarHBondContact CB-NE2 3.5Å; S245-H282 PolarHBondContact OG-CE1 2.88Å; S245-H282 PolarHBondContact OG-NE2 3.16Å
246	S	93	Very high	95.6	Very high	56 Å²	56	51.7 Å²	51.7	39%	0.392	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.5	170.3	-164.9	0	0	0	0	109.1	Q243	Q243-S246 VanDerWaalsContact NE2-CB 3.31Å
247	W	92.8	Very high	95.7	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.045	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.7	179.1	-62.3	-31.8	0	0	0	111.1	C233 L235 V264 R276 V278 H282	C233-W247 HydrophobicContact CB-CB 4.4Å; C233-W247 HydrophobicContact CB-CE3 4.15Å; C233-W247 PolarHBondContact N-O 2.77Å; C233-W247 WeakPolarHBondContact O-CB 3.48Å; C233-W247 PolarHBondContact O-N 3.17Å; L235-W247 HydrophobicContact CD1-CH2 3.58Å; L235-W247 HydrophobicContact CD1-CZ2 3.57Å; L235-W247 HydrophobicContact CD1-CZ3 4.28Å; L235-W247 HydrophobicContact CD2-CH2 3.98Å; L235-W247 HydrophobicContact CD2-CZ3 3.92Å; L235-W247 HydrophobicContact CG-CH2 3.97Å; L235-W247 HydrophobicContact CG-CZ2 4.17Å; L235-W247 HydrophobicContact CG-CZ3 4.18Å; W247-V264 HydrophobicContact CH2-CB 3.64Å; W247-V264 HydrophobicContact CH2-CG1 4.31Å; W247-V264 HydrophobicContact CH2-CG2 3.67Å; W247-V264 HydrophobicContact CZ3-CB 3.55Å; W247-V264 HydrophobicContact CZ3-CG1 3.74Å; W247-V264 HydrophobicContact CZ3-CG2 3.96Å; W247-R276 HydrophobicContact CD2-CB 4.35Å; W247-R276 VanDerWaalsContact CD2-CD 3.46Å; W247-R276 HydrophobicContact CE3-CB 4.35Å; W247-R276 HydrophobicContact CH2-CB 3.99Å; W247-R276 HydrophobicContact CZ2-CB 4.04Å; W247-R276 HydrophobicContact CZ3-CB 4.19Å; W247-V278 HydrophobicContact CH2-CG1 3.87Å; W247-V278 HydrophobicContact CZ2-CG1 4.11Å; W247-H282 AromaticContact CD1-CD2 3.87Å; W247-H282 AromaticContact CD1-NE2 3.18Å; W247-H282 AromaticContact CE2-NE2 3.96Å; W247-H282 AromaticContact NE1-CD2 3.85Å; W247-H282 AromaticContact NE1-CE1 3.44Å; W247-H282 PolarHBondContact NE1-CE1 3.2Å; W247-H282 AromaticContact NE1-NE2 2.79Å; W247-H282 PolarHBondContact NE1-NE2 2.8Å
248	L	92.2	Very high	95.8	Very high	130 Å²	130	48.4 Å²	48.4	68%	0.681	30%	0.295	S	S	*	.			trans	-87.7	155.9	168	-65.6	160.5	0	0	0	110.3	T232 R276	T232-L248 HydrophobicContact CG2-CD2 3.61Å; L248-R276 PolarHBondContact O-NH1 2.91Å; L248-R276 PolarHBondContact O-NH2 2.76Å
249	G	88.2	Confident	95.8	Very high	42 Å²	42	48.3 Å²	48.3	43%	0.433	29%	0.29	S	S	.	.			trans	142.8	-18.6	165.8	0	0	0	0	0	115.6	Y274	G249-Y274 VanDerWaalsContact O-CE2 3.31Å; G249-Y274 WeakPolarHBondContact O-CE2 3.18Å; G249-Y274 PolarHBondContact O-OH 3.06Å
250	H	96.1	Very high	95.9	Very high	15 Å²	15	44.9 Å²	44.9	7%	0.069	26%	0.259	C	S	.	.			trans	-76.5	145.8	164.3	-73.5	-64.9	0	0	0	109.6	G231 V254 S266 S268 D270 T272 Y274	G231-H250 WeakPolarHBondContact O-CB 3.41Å; H250-V254 HydrophobicContact CB-CG2 4.22Å; H250-S266 PolarHBondContact CD2-OG 2.73Å; H250-S266 PolarHBondContact NE2-O 2.75Å; H250-S266 PolarHBondContact NE2-OG 2.76Å; H250-S268 VanDerWaalsContact CE1-CB 3.44Å; H250-S268 WeakPolarHBondContact CE1-CB 3.11Å; H250-S268 WeakPolarHBondContact ND1-CB 3.49Å; H250-D270 WeakPolarHBondContact CA-OD2 3.45Å; H250-D270 WeakPolarHBondContact CB-OD2 3.28Å; H250-D270 IonicContact CE1-OD1 3.37Å; H250-D270 IonicContact CG-OD2 3.66Å; H250-D270 IonicContact ND1-OD1 3.49Å; H250-D270 PolarHBondContact ND1-OD1 3.38Å; H250-D270 IonicContact ND1-OD2 3.49Å; H250-D270 PolarHBondContact ND1-OD2 2.85Å; H250-T272 PolarHBondContact CE1-O 2.82Å; H250-T272 PolarHBondContact CE1-OG1 2.7Å; H250-T272 PolarHBondContact ND1-OG1 2.8Å; H250-Y274 AromaticContact CD2-CD2 3.77Å; H250-Y274 AromaticContact CE1-CD2 3.29Å; H250-Y274 WeakPolarHBondContact CE1-CD2 3.43Å; H250-Y274 AromaticContact CE1-CE2 3.78Å; H250-Y274 AromaticContact CG-CD2 3.85Å; H250-Y274 AromaticContact CG-CE2 3.95Å; H250-Y274 AromaticContact ND1-CD2 3.54Å; H250-Y274 AromaticContact ND1-CE2 3.57Å; H250-Y274 AromaticContact NE2-CD2 3.4Å; H250-Y274 WeakPolarHBondContact NE2-CD2 3.48Å
251	S	96.8	Very high	95.8	Very high	105 Å²	105	46.6 Å²	46.6	73%	0.734	26%	0.261	S	S	*	.	S	Bend	trans	-99.6	7.5	179.3	68	0	0	0	0	113.3	D270	S251-D270 PolarHBondContact N-OD2 3.19Å; S251-D270 VanDerWaalsContact N-OD2 3.08Å; S251-D270 WeakPolarHBondContact OG-CB 3.41Å
252	S	97.8	Very high	95.7	Very high	34 Å²	34	45.2 Å²	45.2	24%	0.238	26%	0.257	C	S	.	.	S	Bend	trans	-162.1	171	-179.8	-162.7	0	0	0	0	109	G231 S268	G231-S252 WeakPolarHBondContact CA-O 3.38Å; S252-S268 PolarHBondContact O-OG 3.04Å
253	R	98.1	Very high	95.6	Very high	22 Å²	22	39.7 Å²	39.7	8%	0.083	23%	0.234	C	C	.	.			trans	-44.3	143.5	-174.5	70.5	179.2	-175.8	-177.4	2.1	115.7	D168 T213 T228 D229 S268 R269 E298	D168-R253 IonicContact OD2-CZ 2.88Å; D168-R253 IonicContact OD2-NH1 3.52Å; D168-R253 PolarHBondContact OD2-NH1 3.15Å; D168-R253 IonicContact OD2-NH2 3.65Å; T213-R253 HydrophobicContact CG2-CB 4.13Å; T228-R253 VanDerWaalsContact O-CA 3.3Å; T228-R253 WeakPolarHBondContact O-CA 3.2Å; D229-R253 HydrophobicContact CB-CB 4.43Å; D229-R253 WeakPolarHBondContact O-CA 3.38Å; D229-R253 WeakPolarHBondContact O-CB 3.4Å; D229-R253 PolarHBondContact O-N 3.5Å; D229-R253 VanDerWaalsContact O-N 3.11Å; D229-R253 WeakPolarHBondContact OD1-CB 3.4Å; D229-R253 WeakPolarHBondContact OD1-CD 3.37Å; R253-S268 WeakPolarHBondContact O-CA 3.21Å; R253-S268 VanDerWaalsContact O-CB 3.31Å; R253-S268 WeakPolarHBondContact O-CB 2.98Å; R253-S268 PolarHBondContact O-OG 2.86Å; R253-R269 HydrophobicContact CG-CB 3.73Å; R253-R269 PolarHBondContact O-N 2.87Å; R253-E298 IonicContact CZ-OE1 3.46Å; R253-E298 IonicContact CZ-OE2 3.62Å; R253-E298 IonicContact NE-OE1 2.71Å; R253-E298 PolarHBondContact NE-OE1 2.97Å; R253-E298 IonicContact NE-OE2 3.19Å; R253-E298 PolarHBondContact NE-OE2 2.97Å; R253-E298 IonicContact NH2-OE1 2.98Å; R253-E298 PolarHBondContact NH2-OE1 3.41Å; R253-E298 VanDerWaalsContact NH2-OE1 3.15Å; R253-E298 IonicContact NH2-OE2 2.61Å; R253-E298 PolarHBondContact NH2-OE2 2.83Å
254	V	98.7	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.			trans	-97.2	85.8	176.4	-178.5	0	0	0	0	110.1	T213 A214 T228 H250 C256 I257 G267	T213-V254 PolarHBondContact OG1-O 3.01Å; A214-V254 VanDerWaalsContact CB-O 3.29Å; A214-V254 WeakPolarHBondContact CB-O 3.12Å; T228-V254 PolarHBondContact O-N 2.74Å; H250-V254 HydrophobicContact CB-CG2 4.22Å; V254-C256 PolarHBondContact O-N 2.86Å; V254-I257 HydrophobicContact CG1-CD1 4.32Å; V254-I257 HydrophobicContact CG1-CG1 4Å; V254-G267 CarbonylContact C-O 3.58Å
255	G	98.4	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.191	C	C	.	.			trans	-75.6	-19.3	-173.5	0	0	0	0	0	115.4	N172 G267	N172-G255 PolarHBondContact ND2-O 3.01Å; G255-G267 PolarHBondContact N-O 2.8Å; G255-G267 VanDerWaalsContact N-O 3.14Å
256	C	98.6	Very high	96.1	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.02	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.7	-179.4	58.7	0	0	0	0	113.1	V254 G267 V299 L302	V254-C256 PolarHBondContact O-N 2.86Å; C256-G267 PolarHBondContact N-O 2.96Å; C256-G267 PolarHBondContact O-N 2.81Å; C256-V299 PolarHBondContact SG-O 3.22Å; C256-L302 HydrophobicContact CB-CB 3.91Å
257	I	98.7	Very high	96.4	Very high	9 Å²	9	28.5 Å²	28.5	5%	0.046	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.4	-178.7	-59.8	172.9	0	0	0	109.4	A214 N216 A225 G227 V254 V264 C265	A214-I257 HydrophobicContact CB-CD1 4.02Å; A214-I257 HydrophobicContact CB-CG1 4.04Å; N216-I257 HydrophobicContact CB-CB 3.92Å; N216-I257 HydrophobicContact CB-CG2 3.98Å; A225-I257 HydrophobicContact CB-CD1 4.05Å; A225-I257 HydrophobicContact CB-CG2 3.76Å; G227-I257 VanDerWaalsContact N-CD1 3.34Å; V254-I257 HydrophobicContact CG1-CD1 4.32Å; V254-I257 HydrophobicContact CG1-CG1 4Å; I257-V264 HydrophobicContact CG2-CG1 3.64Å; I257-C265 CarbonylContact C-O 3.56Å; I257-C265 VanDerWaalsContact CA-O 3.26Å; I257-C265 WeakPolarHBondContact CA-O 3.25Å
258	A	98.4	Very high	96.7	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	131.7	174.5	0	0	0	0	0	112.1	C265 L302 W304 L311	A258-C265 PolarHBondContact N-O 3.48Å; A258-C265 PolarHBondContact O-N 3.31Å; A258-L302 HydrophobicContact CB-CB 4.46Å; A258-L302 HydrophobicContact CB-CD2 4.2Å; A258-L302 HydrophobicContact CB-CG 3.94Å; A258-W304 PolarHBondContact O-NE1 3.08Å; A258-L311 HydrophobicContact CB-CD1 4.32Å
259	W	97.9	Very high	97	Very high	15 Å²	15	28.3 Å²	28.3	6%	0.057	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.6	177.9	-74.2	88.2	0	0	0	113.6	N216 T223 A225 L235 V264 V278 W304	N216-W259 PolarHBondContact O-NE1 2.87Å; N216-W259 VanDerWaalsContact OD1-CD1 3.31Å; T223-W259 HydrophobicContact CG2-CH2 4Å; T223-W259 HydrophobicContact CG2-CZ2 4.18Å; A225-W259 HydrophobicContact CB-CZ2 3.74Å; L235-W259 HydrophobicContact CD1-CH2 4.44Å; L235-W259 HydrophobicContact CD2-CH2 4.02Å; L235-W259 HydrophobicContact CD2-CZ2 3.81Å; W259-V264 HydrophobicContact CD2-CG2 3.63Å; W259-V264 HydrophobicContact CE3-CG2 3.43Å; W259-V264 VanDerWaalsContact CE3-CG2 3.43Å; W259-V264 HydrophobicContact CH2-CG2 3.44Å; W259-V264 VanDerWaalsContact CH2-CG2 3.44Å; W259-V264 HydrophobicContact CZ2-CG2 3.65Å; W259-V264 HydrophobicContact CZ3-CG2 3.33Å; W259-V278 HydrophobicContact CH2-CG1 3.84Å; W259-V278 HydrophobicContact CZ3-CG1 3.67Å; W259-W304 VanDerWaalsContact C-CD1 3.41Å
260	N	96.4	Very high	97.5	Very high	22 Å²	22	27.6 Å²	27.6	12%	0.118	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	86.9	166.3	173.3	-4.6	0	0	0	108.7	N262 L263 W304 F308	N260-N262 PolarHBondContact O-N 2.79Å; N260-L263 HydrophobicContact CB-CB 4.28Å; N260-L263 PolarHBondContact N-O 2.68Å; N260-L263 WeakPolarHBondContact O-CB 3.37Å; N260-L263 PolarHBondContact O-N 3.17Å; N260-W304 HydrophobicContact CB-CD2 3.65Å; N260-W304 VanDerWaalsContact CB-CE2 3.5Å; N260-W304 HydrophobicContact CB-CE3 4.26Å; N260-W304 HydrophobicContact CB-CG 3.81Å; N260-W304 HydrophobicContact CB-CZ2 4.04Å; N260-W304 WeakPolarHBondContact ND2-CZ3 3.28Å; N260-F308 HydrophobicContact CB-CD1 3.69Å; N260-F308 HydrophobicContact CB-CE1 4.26Å; N260-F308 HydrophobicContact CB-CG 4.47Å; N260-F308 VanDerWaalsContact CG-CD1 3.42Å; N260-F308 PolarHBondContact ND2-O 2.88Å; N260-F308 VanDerWaalsContact OD1-CB 3.25Å; N260-F308 WeakPolarHBondContact OD1-CB 3.21Å; N260-F308 VanDerWaalsContact OD1-CD1 3.27Å; N260-F308 WeakPolarHBondContact OD1-CD1 3.27Å; N260-F308 VanDerWaalsContact OD1-CG 3.24Å; N260-F308 WeakPolarHBondContact OD1-CG 3.04Å
261	N	94.5	Very high	97.6	Very high	87 Å²	87	33.6 Å²	33.6	47%	0.465	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-105.7	-175.3	-57.3	-67.2	0	0	0	111.3	N219	N219-N261 PolarHBondContact OD1-N 3.26Å
262	N	94	Very high	97.6	Very high	67 Å²	67	29.3 Å²	29.3	36%	0.358	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-1.9	179	-64.4	-41.2	0	0	0	113.4	N260 D277 V278 R279	N260-N262 PolarHBondContact O-N 2.79Å; N262-D277 CarbonylContact O-C 3.52Å; N262-D277 WeakPolarHBondContact O-CA 3.3Å; N262-V278 HydrophobicContact CB-CG2 3.91Å; N262-V278 WeakPolarHBondContact O-CG1 3.2Å; N262-V278 WeakPolarHBondContact O-CG2 3.44Å; N262-V278 PolarHBondContact O-N 2.98Å; N262-R279 HydrophobicContact CB-CG 4.24Å; N262-R279 WeakPolarHBondContact ND2-CD 3.32Å; N262-R279 PolarHBondContact ND2-NE 2.87Å
263	L	95.4	Very high	97.7	Very high	28 Å²	28	27.8 Å²	27.8	15%	0.147	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.1	179.5	-171.4	77	0	0	0	109.7	N260 A275 R276 W304 M325	N260-L263 HydrophobicContact CB-CB 4.28Å; N260-L263 PolarHBondContact N-O 2.68Å; N260-L263 WeakPolarHBondContact O-CB 3.37Å; N260-L263 PolarHBondContact O-N 3.17Å; L263-A275 HydrophobicContact CD1-CB 4.06Å; L263-A275 HydrophobicContact CD2-CB 4.25Å; L263-A275 HydrophobicContact CG-CB 4.24Å; L263-R276 WeakPolarHBondContact CA-O 3.22Å; L263-W304 HydrophobicContact CD2-CH2 4.13Å; L263-W304 HydrophobicContact CD2-CZ2 3.67Å; L263-M325 HydrophobicContact CD1-CE 4.29Å; L263-M325 HydrophobicContact CD2-CE 3.65Å; L263-M325 HydrophobicContact CD2-CG 4.22Å; L263-M325 HydrophobicContact CD2-SD 3.88Å
264	V	96.7	Very high	97.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.2	173.9	-176.4	0	0	0	0	109.1	A225 L235 W247 I257 W259 A275 R276 V278	A225-V264 HydrophobicContact CB-CG1 4.26Å; L235-V264 HydrophobicContact CD2-CG2 4.44Å; W247-V264 HydrophobicContact CH2-CB 3.64Å; W247-V264 HydrophobicContact CH2-CG1 4.31Å; W247-V264 HydrophobicContact CH2-CG2 3.67Å; W247-V264 HydrophobicContact CZ3-CB 3.55Å; W247-V264 HydrophobicContact CZ3-CG1 3.74Å; W247-V264 HydrophobicContact CZ3-CG2 3.96Å; I257-V264 HydrophobicContact CG2-CG1 3.64Å; W259-V264 HydrophobicContact CD2-CG2 3.63Å; W259-V264 HydrophobicContact CE3-CG2 3.43Å; W259-V264 VanDerWaalsContact CE3-CG2 3.43Å; W259-V264 HydrophobicContact CH2-CG2 3.44Å; W259-V264 VanDerWaalsContact CH2-CG2 3.44Å; W259-V264 HydrophobicContact CZ2-CG2 3.65Å; W259-V264 HydrophobicContact CZ3-CG2 3.33Å; V264-A275 CarbonylContact O-C 3.55Å; V264-A275 WeakPolarHBondContact O-CA 3.36Å; V264-R276 PolarHBondContact N-O 3.3Å; V264-R276 PolarHBondContact O-N 3.25Å; V264-V278 HydrophobicContact CG2-CG1 3.69Å
265	C	97.8	Very high	97.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.6	171.1	-67.8	0	0	0	0	110.2	I257 A258 I273 Y274 A275 L302 W304 L311	I257-C265 CarbonylContact C-O 3.56Å; I257-C265 VanDerWaalsContact CA-O 3.26Å; I257-C265 WeakPolarHBondContact CA-O 3.25Å; A258-C265 PolarHBondContact N-O 3.48Å; A258-C265 PolarHBondContact O-N 3.31Å; C265-I273 HydrophobicContact CB-CG2 4.18Å; C265-Y274 CarbonylContact C-O 3.55Å; C265-Y274 WeakPolarHBondContact CA-O 3.38Å; C265-A275 VanDerWaalsContact SG-CB 3.55Å; C265-L302 HydrophobicContact CB-CD2 3.91Å; C265-L302 WeakPolarHBondContact O-CD2 3.48Å; C265-W304 WeakPolarHBondContact SG-CZ2 3.37Å; C265-L311 HydrophobicContact CB-CD2 4.14Å
266	S	98.3	Very high	97.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128	174.9	59	0	0	0	0	109.9	H250 I273 Y274	H250-S266 PolarHBondContact CD2-OG 2.73Å; H250-S266 PolarHBondContact NE2-O 2.75Å; H250-S266 PolarHBondContact NE2-OG 2.76Å; S266-I273 CarbonylContact O-C 3.48Å; S266-I273 WeakPolarHBondContact O-CA 3.19Å; S266-I273 WeakPolarHBondContact O-CG2 3.35Å; S266-Y274 PolarHBondContact N-O 3.3Å; S266-Y274 PolarHBondContact O-N 2.74Å
267	G	98.6	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.1	174.9	0	0	0	0	0	111	V254 G255 C256	V254-G267 CarbonylContact C-O 3.58Å; G255-G267 PolarHBondContact N-O 2.8Å; G255-G267 VanDerWaalsContact N-O 3.14Å; C256-G267 PolarHBondContact N-O 2.96Å; C256-G267 PolarHBondContact O-N 2.81Å
268	S	98.7	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.			trans	-128	162.1	-170.8	169.3	0	0	0	0	113.3	H250 S252 R253 D270 R271 T272 V299	H250-S268 VanDerWaalsContact CE1-CB 3.44Å; H250-S268 WeakPolarHBondContact CE1-CB 3.11Å; H250-S268 WeakPolarHBondContact ND1-CB 3.49Å; S252-S268 PolarHBondContact O-OG 3.04Å; R253-S268 WeakPolarHBondContact O-CA 3.21Å; R253-S268 VanDerWaalsContact O-CB 3.31Å; R253-S268 WeakPolarHBondContact O-CB 2.98Å; R253-S268 PolarHBondContact O-OG 2.86Å; S268-D270 VanDerWaalsContact CB-OD1 3.29Å; S268-D270 WeakPolarHBondContact CB-OD1 3.43Å; S268-D270 PolarHBondContact O-N 2.8Å; S268-D270 PolarHBondContact OG-N 3.27Å; S268-D270 PolarHBondContact OG-OD1 3.03Å; S268-R271 PolarHBondContact O-N 3.36Å; S268-R271 VanDerWaalsContact O-N 3.1Å; S268-T272 PolarHBondContact N-O 2.8Å; S268-T272 VanDerWaalsContact N-O 3.16Å; S268-V299 PolarHBondContact O-N 2.9Å; S268-V299 VanDerWaalsContact O-N 3.13Å
269	R	98.7	Very high	96.3	Very high	138 Å²	138	40.2 Å²	40.2	52%	0.521	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.6	165.9	-172.9	172.2	-171.5	-164.2	2.9	113.3	R253 R271 E298	R253-R269 HydrophobicContact CG-CB 3.73Å; R253-R269 PolarHBondContact O-N 2.87Å; R269-R271 PolarHBondContact O-N 2.75Å; R269-E298 HydrophobicContact CB-CB 4.23Å; R269-E298 HydrophobicContact CB-CG 3.98Å; R269-E298 HydrophobicContact CG-CB 4.16Å; R269-E298 HydrophobicContact CG-CG 4.33Å
270	D	98.2	Very high	95.7	Very high	28 Å²	28	41.4 Å²	41.4	15%	0.15	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	2.3	170.7	77.2	12.2	0	0	0	114.6	H250 S251 S268 T272	H250-D270 WeakPolarHBondContact CA-OD2 3.45Å; H250-D270 WeakPolarHBondContact CB-OD2 3.28Å; H250-D270 IonicContact CE1-OD1 3.37Å; H250-D270 IonicContact CG-OD2 3.66Å; H250-D270 IonicContact ND1-OD1 3.49Å; H250-D270 PolarHBondContact ND1-OD1 3.38Å; H250-D270 IonicContact ND1-OD2 3.49Å; H250-D270 PolarHBondContact ND1-OD2 2.85Å; S251-D270 PolarHBondContact N-OD2 3.19Å; S251-D270 VanDerWaalsContact N-OD2 3.08Å; S251-D270 WeakPolarHBondContact OG-CB 3.41Å; S268-D270 VanDerWaalsContact CB-OD1 3.29Å; S268-D270 WeakPolarHBondContact CB-OD1 3.43Å; S268-D270 PolarHBondContact O-N 2.8Å; S268-D270 PolarHBondContact OG-N 3.27Å; S268-D270 PolarHBondContact OG-OD1 3.03Å; D270-T272 VanDerWaalsContact CG-OG1 3.29Å; D270-T272 PolarHBondContact O-N 3.17Å; D270-T272 WeakPolarHBondContact OD1-CA 3.34Å; D270-T272 WeakPolarHBondContact OD1-CB 3.3Å; D270-T272 PolarHBondContact OD1-N 3.23Å; D270-T272 PolarHBondContact OD1-OG1 3.36Å; D270-T272 PolarHBondContact OD2-OG1 3.38Å
271	R	98.5	Very high	94.2	Very high	141 Å²	141	43.1 Å²	43.1	53%	0.532	22%	0.215	S	C	.	.	S	Bend	trans	75.3	6.8	175.2	-40.1	160.4	-171.7	-166.7	2.3	114.2	S268 R269 H295 D296	S268-R271 PolarHBondContact O-N 3.36Å; S268-R271 VanDerWaalsContact O-N 3.1Å; R269-R271 PolarHBondContact O-N 2.75Å; R271-H295 WeakPolarHBondContact CB-O 3.43Å; R271-D296 WeakPolarHBondContact CD-O 3.36Å; R271-D296 VanDerWaalsContact CZ-O 3.31Å; R271-D296 PolarHBondContact NE-O 3.08Å; R271-D296 PolarHBondContact NH1-O 2.54Å
272	T	98	Very high	92.7	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.086	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	156.5	-179.3	73.2	0	0	0	0	111.6	H250 S268 D270 K293	H250-T272 PolarHBondContact CE1-O 2.82Å; H250-T272 PolarHBondContact CE1-OG1 2.7Å; H250-T272 PolarHBondContact ND1-OG1 2.8Å; S268-T272 PolarHBondContact N-O 2.8Å; S268-T272 VanDerWaalsContact N-O 3.16Å; D270-T272 VanDerWaalsContact CG-OG1 3.29Å; D270-T272 PolarHBondContact O-N 3.17Å; D270-T272 WeakPolarHBondContact OD1-CA 3.34Å; D270-T272 WeakPolarHBondContact OD1-CB 3.3Å; D270-T272 PolarHBondContact OD1-N 3.23Å; D270-T272 PolarHBondContact OD1-OG1 3.36Å; D270-T272 PolarHBondContact OD2-OG1 3.38Å; T272-K293 HydrophobicContact CG2-CG 4.35Å
273	I	98.1	Very high	90.5	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.2	167.6	-55.6	162.7	0	0	0	107.3	C265 S266 R291 F292 V299 L302 L311 S313	C265-I273 HydrophobicContact CB-CG2 4.18Å; S266-I273 CarbonylContact O-C 3.48Å; S266-I273 WeakPolarHBondContact O-CA 3.19Å; S266-I273 WeakPolarHBondContact O-CG2 3.35Å; I273-R291 CarbonylContact O-C 3.49Å; I273-R291 WeakPolarHBondContact O-CA 3.38Å; I273-F292 HydrophobicContact CB-CB 4.16Å; I273-F292 HydrophobicContact CB-CD2 4.24Å; I273-F292 HydrophobicContact CG2-CD2 4.2Å; I273-F292 PolarHBondContact N-O 3.01Å; I273-F292 VanDerWaalsContact N-O 3.14Å; I273-F292 PolarHBondContact O-N 2.66Å; I273-V299 HydrophobicContact CD1-CG1 4.06Å; I273-V299 HydrophobicContact CG1-CB 4.47Å; I273-V299 HydrophobicContact CG1-CG1 4.01Å; I273-V299 HydrophobicContact CG1-CG2 4.07Å; I273-L302 HydrophobicContact CD1-CD1 3.89Å; I273-L302 HydrophobicContact CG1-CD1 4.44Å; I273-L302 HydrophobicContact CG2-CD1 4.33Å; I273-L302 HydrophobicContact CG2-CD2 4.35Å; I273-L311 HydrophobicContact CG2-CD2 4.4Å; I273-S313 VanDerWaalsContact CD1-CB 3.49Å
274	Y	96.9	Very high	88.3	Confident	32 Å²	32	48.3 Å²	48.3	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136	169	-74.3	-62.1	0	0	0	110.2	G249 H250 C265 S266 A289 R290 R291	G249-Y274 VanDerWaalsContact O-CE2 3.31Å; G249-Y274 WeakPolarHBondContact O-CE2 3.18Å; G249-Y274 PolarHBondContact O-OH 3.06Å; H250-Y274 AromaticContact CD2-CD2 3.77Å; H250-Y274 AromaticContact CE1-CD2 3.29Å; H250-Y274 WeakPolarHBondContact CE1-CD2 3.43Å; H250-Y274 AromaticContact CE1-CE2 3.78Å; H250-Y274 AromaticContact CG-CD2 3.85Å; H250-Y274 AromaticContact CG-CE2 3.95Å; H250-Y274 AromaticContact ND1-CD2 3.54Å; H250-Y274 AromaticContact ND1-CE2 3.57Å; H250-Y274 AromaticContact NE2-CD2 3.4Å; H250-Y274 WeakPolarHBondContact NE2-CD2 3.48Å; C265-Y274 CarbonylContact C-O 3.55Å; C265-Y274 WeakPolarHBondContact CA-O 3.38Å; S266-Y274 PolarHBondContact N-O 3.3Å; S266-Y274 PolarHBondContact O-N 2.74Å; Y274-A289 HydrophobicContact CD1-CB 3.8Å; Y274-A289 HydrophobicContact CG-CB 4.33Å; Y274-R290 CarbonylContact C-O 3.58Å; Y274-R290 WeakPolarHBondContact CA-O 3.46Å; Y274-R291 HydrophobicContact CD1-CB 3.89Å; Y274-R291 HydrophobicContact CD1-CG 4.05Å; Y274-R291 HydrophobicContact CE1-CB 3.66Å; Y274-R291 HydrophobicContact CE1-CG 3.61Å
275	A	95.8	Very high	85.9	Confident	2 Å²	2	61.2 Å²	61.2	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.3	167.2	0	0	0	0	0	110	L263 V264 C265 A289 R290 F292 M325	L263-A275 HydrophobicContact CD1-CB 4.06Å; L263-A275 HydrophobicContact CD2-CB 4.25Å; L263-A275 HydrophobicContact CG-CB 4.24Å; V264-A275 CarbonylContact O-C 3.55Å; V264-A275 WeakPolarHBondContact O-CA 3.36Å; C265-A275 VanDerWaalsContact SG-CB 3.55Å; A275-A289 CarbonylContact O-C 3.55Å; A275-A289 VanDerWaalsContact O-CA 3.31Å; A275-A289 WeakPolarHBondContact O-CA 3.47Å; A275-R290 HydrophobicContact CB-CB 4.39Å; A275-R290 PolarHBondContact N-O 2.82Å; A275-R290 PolarHBondContact O-N 3Å; A275-F292 HydrophobicContact CB-CE2 3.9Å; A275-M325 HydrophobicContact CB-CE 4.29Å
276	R	94.4	Very high	83.7	Confident	10 Å²	10	64 Å²	64	4%	0.038	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.1	-173	-61.6	177.2	-167.1	-110.5	11.5	110.1	W247 L248 L263 V264 S287 A289	W247-R276 HydrophobicContact CD2-CB 4.35Å; W247-R276 VanDerWaalsContact CD2-CD 3.46Å; W247-R276 HydrophobicContact CE3-CB 4.35Å; W247-R276 HydrophobicContact CH2-CB 3.99Å; W247-R276 HydrophobicContact CZ2-CB 4.04Å; W247-R276 HydrophobicContact CZ3-CB 4.19Å; L248-R276 PolarHBondContact O-NH1 2.91Å; L248-R276 PolarHBondContact O-NH2 2.76Å; L263-R276 WeakPolarHBondContact CA-O 3.22Å; V264-R276 PolarHBondContact N-O 3.3Å; V264-R276 PolarHBondContact O-N 3.25Å; R276-S287 PolarHBondContact NH1-OG 2.87Å; R276-A289 HydrophobicContact CG-CB 3.7Å
277	D	93.1	Very high	81.8	Confident	49 Å²	49	66.8 Å²	66.8	26%	0.262	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.8	173.2	-169.1	-34.1	0	0	0	109.1	N262 R279 A280	N262-D277 CarbonylContact O-C 3.52Å; N262-D277 WeakPolarHBondContact O-CA 3.3Å; D277-R279 PolarHBondContact O-N 3.4Å; D277-R279 VanDerWaalsContact OD1-CB 3.32Å; D277-R279 WeakPolarHBondContact OD1-CB 3.31Å; D277-R279 WeakPolarHBondContact OD1-CG 3.5Å; D277-R279 IonicContact OD1-CZ 3.82Å; D277-R279 PolarHBondContact OD1-N 3.4Å; D277-R279 IonicContact OD1-NE 2.99Å; D277-R279 PolarHBondContact OD1-NE 3.43Å; D277-R279 IonicContact OD1-NH2 3.76Å; D277-R279 IonicContact OD2-CZ 3.52Å; D277-R279 IonicContact OD2-NE 3.44Å; D277-R279 PolarHBondContact OD2-NE 2.84Å; D277-R279 IonicContact OD2-NH2 2.74Å; D277-R279 PolarHBondContact OD2-NH2 3.03Å; D277-A280 HydrophobicContact CB-CB 4.33Å; D277-A280 PolarHBondContact O-N 3.09Å
278	V	92.4	Very high	80.4	Confident	38 Å²	38	73.7 Å²	73.7	23%	0.23	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.3	-179.3	-57.1	0	0	0	0	113.4	L235 W247 W259 N262 V264	L235-V278 HydrophobicContact CD1-CB 4.22Å; L235-V278 HydrophobicContact CD1-CG1 3.7Å; W247-V278 HydrophobicContact CH2-CG1 3.87Å; W247-V278 HydrophobicContact CZ2-CG1 4.11Å; W259-V278 HydrophobicContact CH2-CG1 3.84Å; W259-V278 HydrophobicContact CZ3-CG1 3.67Å; N262-V278 HydrophobicContact CB-CG2 3.91Å; N262-V278 WeakPolarHBondContact O-CG1 3.2Å; N262-V278 WeakPolarHBondContact O-CG2 3.44Å; N262-V278 PolarHBondContact O-N 2.98Å; V264-V278 HydrophobicContact CG2-CG1 3.69Å
279	R	90.2	Very high	79.9	Confident	170 Å²	170	75 Å²	75	64%	0.642	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-17.8	-178.3	-54.4	169.7	-65.1	172	6.6	112.4	N262 D277 G281	N262-R279 HydrophobicContact CB-CG 4.24Å; N262-R279 WeakPolarHBondContact ND2-CD 3.32Å; N262-R279 PolarHBondContact ND2-NE 2.87Å; D277-R279 PolarHBondContact O-N 3.4Å; D277-R279 VanDerWaalsContact OD1-CB 3.32Å; D277-R279 WeakPolarHBondContact OD1-CB 3.31Å; D277-R279 WeakPolarHBondContact OD1-CG 3.5Å; D277-R279 IonicContact OD1-CZ 3.82Å; D277-R279 PolarHBondContact OD1-N 3.4Å; D277-R279 IonicContact OD1-NE 2.99Å; D277-R279 PolarHBondContact OD1-NE 3.43Å; D277-R279 IonicContact OD1-NH2 3.76Å; D277-R279 IonicContact OD2-CZ 3.52Å; D277-R279 IonicContact OD2-NE 3.44Å; D277-R279 PolarHBondContact OD2-NE 2.84Å; D277-R279 IonicContact OD2-NH2 2.74Å; D277-R279 PolarHBondContact OD2-NH2 3.03Å; R279-G281 PolarHBondContact O-N 2.84Å
280	A	84.8	Confident	79.6	Confident	40 Å²	40	71.8 Å²	71.8	33%	0.331	39%	0.393	S	S	.	.	S	Bend	trans	-69.1	117.1	175.6	0	0	0	0	0	108.2	D277	D277-A280 HydrophobicContact CB-CB 4.33Å; D277-A280 PolarHBondContact O-N 3.09Å
281	G	66	Low	79.4	Confident	58 Å²	58	76.9 Å²	76.9	60%	0.598	41%	0.41	S	S	*	.			trans	-52.7	146.3	-176.9	0	0	0	0	0	113.2	R279 T283	R279-G281 PolarHBondContact O-N 2.84Å; G281-T283 PolarHBondContact O-N 3.13Å
282	H	61.8	Low	79.3	Confident	94 Å²	94	70.5 Å²	70.5	44%	0.435	39%	0.386	S	S	.	.			trans	-80.5	52.2	179.9	-73.4	69.8	0	0	0	111.9	S245 W247 G284	S245-H282 WeakPolarHBondContact CB-CE1 3.49Å; S245-H282 WeakPolarHBondContact CB-NE2 3.5Å; S245-H282 PolarHBondContact OG-CE1 2.88Å; S245-H282 PolarHBondContact OG-NE2 3.16Å; W247-H282 AromaticContact CD1-CD2 3.87Å; W247-H282 AromaticContact CD1-NE2 3.18Å; W247-H282 AromaticContact CE2-NE2 3.96Å; W247-H282 AromaticContact NE1-CD2 3.85Å; W247-H282 AromaticContact NE1-CE1 3.44Å; W247-H282 PolarHBondContact NE1-CE1 3.2Å; W247-H282 AromaticContact NE1-NE2 2.79Å; W247-H282 PolarHBondContact NE1-NE2 2.8Å; H282-G284 PolarHBondContact O-N 3.49Å
283	T	47.9	Very low	79.2	Confident	133 Å²	133	76.1 Å²	76.1	82%	0.816	41%	0.409	S	S	*	.			trans	-97.9	94.2	-178.9	54.3	0	0	0	0	110.2	G281	G281-T283 PolarHBondContact O-N 3.13Å
284	G	49.1	Very low	79.1	Confident	64 Å²	64	77.2 Å²	77.2	66%	0.66	42%	0.421	S	S	*	.	S	Bend	trans	80.7	161.3	160.7	0	0	0	0	0	116.8	H282 G286	H282-G284 PolarHBondContact O-N 3.49Å; G284-G286 VanDerWaalsContact C-N 3.33Å; G284-G286 PolarHBondContact O-N 2.73Å
285	R	47.4	Very low	79.1	Confident	271 Å²	271	76.1 Å²	76.1	100%	1.023	42%	0.417	S	S	*	.	S	Bend	trans	-54.1	86.8	178.5	-81.5	-179.9	172.3	174.3	-2.5	111.7
286	G	50.8	Low	79.2	Confident	59 Å²	59	80 Å²	80	61%	0.608	44%	0.437	S	S	*	.			trans	164.8	39.8	179.6	0	0	0	0	0	112.9	G284 N288	G284-G286 VanDerWaalsContact C-N 3.33Å; G284-G286 PolarHBondContact O-N 2.73Å; G286-N288 PolarHBondContact O-N 2.9Å
287	S	58.8	Low	79.4	Confident	60 Å²	60	83.8 Å²	83.8	42%	0.42	46%	0.456	S	S	.	.			trans	-44.5	128	176.1	178.3	0	0	0	0	109.5	R276 A289	R276-S287 PolarHBondContact NH1-OG 2.87Å; S287-A289 PolarHBondContact O-N 3.46Å
288	N	69.7	Low	79.7	Confident	145 Å²	145	82 Å²	82	78%	0.775	45%	0.446	S	S	*	.			trans	-65.7	48.5	174.2	-72	-40.2	0	0	0	111.1	G286	G286-N288 PolarHBondContact O-N 2.9Å
289	A	86.4	Confident	80	Confident	27 Å²	27	80.2 Å²	80.2	22%	0.223	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-85.2	122.1	-177.3	0	0	0	0	0	108	Y274 A275 R276 S287	Y274-A289 HydrophobicContact CD1-CB 3.8Å; Y274-A289 HydrophobicContact CG-CB 4.33Å; A275-A289 CarbonylContact O-C 3.55Å; A275-A289 VanDerWaalsContact O-CA 3.31Å; A275-A289 WeakPolarHBondContact O-CA 3.47Å; R276-A289 HydrophobicContact CG-CB 3.7Å; S287-A289 PolarHBondContact O-N 3.46Å
290	R	92.7	Very high	80.4	Confident	70 Å²	70	72.1 Å²	72.1	26%	0.264	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.3	166.4	177.3	173.6	176.2	170.4	-4.2	108.7	Y274 A275 F292 S324 M325 C327	Y274-R290 CarbonylContact C-O 3.58Å; Y274-R290 WeakPolarHBondContact CA-O 3.46Å; A275-R290 HydrophobicContact CB-CB 4.39Å; A275-R290 PolarHBondContact N-O 2.82Å; A275-R290 PolarHBondContact O-N 3Å; R290-F292 HydrophobicContact CG-CE2 4.1Å; R290-F292 HydrophobicContact CG-CZ 4.07Å; R290-F292 VanDerWaalsContact NE-CE1 3.34Å; R290-F292 VanDerWaalsContact NE-CZ 3.31Å; R290-S324 PolarHBondContact NH2-O 3.34Å; R290-M325 VanDerWaalsContact NH1-CA 3.34Å; R290-M325 PolarHBondContact NH1-O 2.9Å; R290-C327 PolarHBondContact NH2-O 2.87Å
291	R	94.1	Very high	81.1	Confident	136 Å²	136	70.4 Å²	70.4	51%	0.513	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.5	177.8	-170	171.1	59.8	177.6	-3.2	111.2	I273 Y274 K293	I273-R291 CarbonylContact O-C 3.49Å; I273-R291 WeakPolarHBondContact O-CA 3.38Å; Y274-R291 HydrophobicContact CD1-CB 3.89Å; Y274-R291 HydrophobicContact CD1-CG 4.05Å; Y274-R291 HydrophobicContact CE1-CB 3.66Å; Y274-R291 HydrophobicContact CE1-CG 3.61Å; R291-K293 HydrophobicContact CG-CG 4.45Å
292	F	96	Very high	82.6	Confident	7 Å²	7	68.5 Å²	68.5	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.3	168.8	-55.1	-90.6	0	0	0	110	I273 A275 R290 W323 M325	I273-F292 HydrophobicContact CB-CB 4.16Å; I273-F292 HydrophobicContact CB-CD2 4.24Å; I273-F292 HydrophobicContact CG2-CD2 4.2Å; I273-F292 PolarHBondContact N-O 3.01Å; I273-F292 VanDerWaalsContact N-O 3.14Å; I273-F292 PolarHBondContact O-N 2.66Å; A275-F292 HydrophobicContact CB-CE2 3.9Å; R290-F292 HydrophobicContact CG-CE2 4.1Å; R290-F292 HydrophobicContact CG-CZ 4.07Å; R290-F292 VanDerWaalsContact NE-CE1 3.34Å; R290-F292 VanDerWaalsContact NE-CZ 3.31Å; F292-W323 HydrophobicContact CB-CD2 4.42Å; F292-W323 HydrophobicContact CB-CE3 4.22Å; F292-W323 HydrophobicContact CB-CH2 4.15Å; F292-W323 HydrophobicContact CB-CZ2 4.36Å; F292-W323 HydrophobicContact CB-CZ3 4.06Å; F292-W323 HydrophobicContact CD1-CB 4.47Å; F292-W323 AromaticContact CD1-CD2 3.97Å; F292-W323 HydrophobicContact CD1-CD2 3.97Å; F292-W323 AromaticContact CD1-CE3 3.53Å; F292-W323 HydrophobicContact CD1-CE3 3.53Å; F292-W323 HydrophobicContact CD1-CG 4.39Å; F292-W323 HydrophobicContact CD1-CZ3 4.03Å; F292-W323 HydrophobicContact CE1-CB 4.28Å; F292-W323 HydrophobicContact CE1-CE3 4.29Å; F292-W323 HydrophobicContact CG-CD2 4.41Å; F292-W323 HydrophobicContact CG-CE3 4.24Å; F292-M325 HydrophobicContact CE2-SD 4.31Å; F292-M325 HydrophobicContact CZ-SD 3.7Å
293	K	96	Very high	84.4	Confident	131 Å²	131	67.1 Å²	67.1	57%	0.57	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.5	175	-68	-172.4	173.5	-172.6	0	108.3	T272 R291	T272-K293 HydrophobicContact CG2-CG 4.35Å; R291-K293 HydrophobicContact CG-CG 4.45Å
294	G	95.9	Very high	86.8	Confident	25 Å²	25	61.7 Å²	61.7	26%	0.258	32%	0.323	S	S	.	.			trans	-178.3	-19.3	179.4	0	0	0	0	0	113.8	R319 I321	G294-R319 PolarHBondContact O-NH1 3.16Å; G294-I321 WeakPolarHBondContact O-CD1 3.12Å
295	H	98.4	Very high	89.1	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.046	29%	0.293	C	S	.	.			trans	-86.7	145.8	168.7	-71.5	-73.8	0	0	0	111.7	R271 V299 S313 G315 D317 R319	R271-H295 WeakPolarHBondContact CB-O 3.43Å; H295-V299 HydrophobicContact CB-CG2 4.07Å; H295-S313 PolarHBondContact NE2-OG 2.79Å; H295-G315 PolarHBondContact CE1-N 3.32Å; H295-G315 VanDerWaalsContact CE1-N 3.35Å; H295-D317 WeakPolarHBondContact CA-OD2 3.21Å; H295-D317 WeakPolarHBondContact CB-OD2 2.94Å; H295-D317 IonicContact CE1-OD1 3.54Å; H295-D317 IonicContact CG-OD1 2.85Å; H295-D317 IonicContact CG-OD2 3.03Å; H295-D317 IonicContact ND1-OD1 2.83Å; H295-D317 PolarHBondContact ND1-OD1 3.31Å; H295-D317 IonicContact ND1-OD2 2.92Å; H295-D317 PolarHBondContact ND1-OD2 3.13Å; H295-D317 VanDerWaalsContact ND1-OD2 3.16Å; H295-R319 PolarHBondContact CE1-O 2.91Å
296	D	98.3	Very high	91.4	Very high	82 Å²	82	49.4 Å²	49.4	44%	0.439	27%	0.267	S	S	.	.	S	Bend	trans	-99.6	-9	177	-66.8	-43.2	0	0	0	112.5	R271 D317 R319	R271-D296 WeakPolarHBondContact CD-O 3.36Å; R271-D296 VanDerWaalsContact CZ-O 3.31Å; R271-D296 PolarHBondContact NE-O 3.08Å; R271-D296 PolarHBondContact NH1-O 2.54Å; D296-D317 HydrophobicContact CB-CB 4.21Å; D296-D317 PolarHBondContact N-OD2 2.76Å; D296-R319 IonicContact OD2-CZ 2.53Å; D296-R319 VanDerWaalsContact OD2-CZ 3.26Å; D296-R319 IonicContact OD2-NH1 2.78Å; D296-R319 PolarHBondContact OD2-NH1 3.04Å; D296-R319 IonicContact OD2-NH2 2.8Å; D296-R319 PolarHBondContact OD2-NH2 3.36Å
297	Q	98.5	Very high	93.5	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	26%	0.258	S	S	.	.	S	Bend	trans	-139.7	-172	176.5	-59.2	-169.3	39.4	0	0	110.8	V299 N316 D317	Q297-V299 PolarHBondContact O-N 2.87Å; Q297-N316 HydrophobicContact CB-CB 3.9Å; Q297-N316 PolarHBondContact OE1-ND2 3.07Å; Q297-N316 PolarHBondContact OE1-O 2.84Å; Q297-D317 HydrophobicContact CB-CB 4.14Å; Q297-D317 HydrophobicContact CG-CB 4.16Å
298	E	98.7	Very high	95.2	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.056	25%	0.251	C	S	.	.			trans	-52.9	131.7	-177.4	179	160.3	-162.3	0	0	113.1	R253 R269 G315 N316	R253-E298 IonicContact CZ-OE1 3.46Å; R253-E298 IonicContact CZ-OE2 3.62Å; R253-E298 IonicContact NE-OE1 2.71Å; R253-E298 PolarHBondContact NE-OE1 2.97Å; R253-E298 IonicContact NE-OE2 3.19Å; R253-E298 PolarHBondContact NE-OE2 2.97Å; R253-E298 IonicContact NH2-OE1 2.98Å; R253-E298 PolarHBondContact NH2-OE1 3.41Å; R253-E298 VanDerWaalsContact NH2-OE1 3.15Å; R253-E298 IonicContact NH2-OE2 2.61Å; R253-E298 PolarHBondContact NH2-OE2 2.83Å; R269-E298 HydrophobicContact CB-CB 4.23Å; R269-E298 HydrophobicContact CB-CG 3.98Å; R269-E298 HydrophobicContact CG-CB 4.16Å; R269-E298 HydrophobicContact CG-CG 4.33Å; E298-G315 CarbonylContact O-C 3.59Å; E298-G315 WeakPolarHBondContact O-CA 3.43Å; E298-N316 HydrophobicContact CB-CB 4.38Å; E298-N316 PolarHBondContact O-N 3.3Å
299	V	98.8	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.3	171.2	-171.2	0	0	0	0	108.1	C256 S268 I273 H295 Q297	C256-V299 PolarHBondContact SG-O 3.22Å; S268-V299 PolarHBondContact O-N 2.9Å; S268-V299 VanDerWaalsContact O-N 3.13Å; I273-V299 HydrophobicContact CD1-CG1 4.06Å; I273-V299 HydrophobicContact CG1-CB 4.47Å; I273-V299 HydrophobicContact CG1-CG1 4.01Å; I273-V299 HydrophobicContact CG1-CG2 4.07Å; H295-V299 HydrophobicContact CB-CG2 4.07Å; Q297-V299 PolarHBondContact O-N 2.87Å
300	C	98.6	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-20.4	-171.6	59.2	0	0	0	0	114	Y170 N172 G314	Y170-C300 HydrophobicContact CD1-CB 3.83Å; N172-C300 PolarHBondContact ND2-O 3.22Å; C300-G314 PolarHBondContact N-O 3.31Å
301	G	98.6	Very high	97.2	Very high	3 Å²	3	42 Å²	42	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.1	170.3	0	0	0	0	0	110.7	S313 G314 K342	G301-S313 CarbonylContact O-C 3.56Å; G301-S313 VanDerWaalsContact O-CA 3.24Å; G301-S313 WeakPolarHBondContact O-CA 3.39Å; G301-G314 PolarHBondContact N-O 3.5Å; G301-G314 PolarHBondContact O-N 2.93Å; G301-K342 WeakPolarHBondContact CA-O 3.12Å
302	L	98.7	Very high	97.4	Very high	18 Å²	18	35.6 Å²	35.6	9%	0.094	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	122.2	178.7	-164.7	65.8	0	0	0	110.4	C256 A258 C265 I273 L311 A312	C256-L302 HydrophobicContact CB-CB 3.91Å; A258-L302 HydrophobicContact CB-CB 4.46Å; A258-L302 HydrophobicContact CB-CD2 4.2Å; A258-L302 HydrophobicContact CB-CG 3.94Å; C265-L302 HydrophobicContact CB-CD2 3.91Å; C265-L302 WeakPolarHBondContact O-CD2 3.48Å; I273-L302 HydrophobicContact CD1-CD1 3.89Å; I273-L302 HydrophobicContact CG1-CD1 4.44Å; I273-L302 HydrophobicContact CG2-CD1 4.33Å; I273-L302 HydrophobicContact CG2-CD2 4.35Å; L302-L311 HydrophobicContact CD1-CD1 3.75Å; L302-L311 HydrophobicContact CD1-CD2 3.98Å; L302-L311 HydrophobicContact CD1-CG 3.96Å; L302-L311 HydrophobicContact CG-CD1 3.98Å; L302-A312 WeakPolarHBondContact CA-O 3.35Å
303	K	98.5	Very high	97.6	Very high	66 Å²	66	35.2 Å²	35.2	29%	0.287	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	133.1	179.5	-150	173.8	-167.6	171.6	0	113	A312 L344 D345 W346	K303-A312 PolarHBondContact N-O 3.22Å; K303-A312 PolarHBondContact O-N 3.16Å; K303-L344 HydrophobicContact CB-CD1 3.4Å; K303-L344 VanDerWaalsContact CB-CD1 3.4Å; K303-D345 HydrophobicContact CD-CB 4.32Å; K303-D345 WeakPolarHBondContact CD-OD1 3.42Å; K303-D345 WeakPolarHBondContact CE-OD1 3.38Å; K303-D345 IonicContact NZ-OD1 3.61Å; K303-D345 PolarHBondContact NZ-OD1 3.03Å; K303-D345 IonicContact NZ-OD2 3.58Å; K303-D345 PolarHBondContact NZ-OD2 3.14Å; K303-W346 PolarHBondContact O-NE1 2.94Å
304	W	98.2	Very high	97.7	Very high	18 Å²	18	29 Å²	29	7%	0.068	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	146.6	171.2	-78	103.4	0	0	0	111.5	A258 W259 N260 L263 C265 F308 C310 L311 M325 W346	A258-W304 PolarHBondContact O-NE1 3.08Å; W259-W304 VanDerWaalsContact C-CD1 3.41Å; N260-W304 HydrophobicContact CB-CD2 3.65Å; N260-W304 VanDerWaalsContact CB-CE2 3.5Å; N260-W304 HydrophobicContact CB-CE3 4.26Å; N260-W304 HydrophobicContact CB-CG 3.81Å; N260-W304 HydrophobicContact CB-CZ2 4.04Å; N260-W304 WeakPolarHBondContact ND2-CZ3 3.28Å; L263-W304 HydrophobicContact CD2-CH2 4.13Å; L263-W304 HydrophobicContact CD2-CZ2 3.67Å; C265-W304 WeakPolarHBondContact SG-CZ2 3.37Å; W304-F308 HydrophobicContact CB-CD1 4.2Å; W304-C310 VanDerWaalsContact CE3-O 3.26Å; W304-L311 HydrophobicContact CD2-CB 4.05Å; W304-L311 HydrophobicContact CD2-CD1 3.9Å; W304-L311 HydrophobicContact CE3-CB 3.9Å; W304-L311 HydrophobicContact CG-CD1 3.99Å; W304-L311 HydrophobicContact CH2-CB 3.9Å; W304-L311 HydrophobicContact CZ2-CB 4.09Å; W304-L311 HydrophobicContact CZ2-CD1 4.37Å; W304-L311 HydrophobicContact CZ2-CD2 4.26Å; W304-L311 HydrophobicContact CZ2-CG 4.49Å; W304-L311 HydrophobicContact CZ3-CB 3.82Å; W304-M325 HydrophobicContact CH2-CG 3.67Å; W304-M325 HydrophobicContact CH2-SD 3.99Å; W304-M325 HydrophobicContact CZ3-CG 4.41Å; W304-W346 VanDerWaalsContact C-CD1 3.48Å
305	S	97.5	Very high	97.8	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.028	15%	0.15	C	C	.	.			trans	-65.2	153.1	168.9	63	0	0	0	0	110.6	D307 F308 A309 C310	S305-D307 VanDerWaalsContact CB-OD1 3.25Å; S305-D307 WeakPolarHBondContact CB-OD1 3.47Å; S305-D307 PolarHBondContact O-N 3.41Å; S305-D307 VanDerWaalsContact O-N 3.13Å; S305-D307 PolarHBondContact OG-OD1 3.17Å; S305-F308 WeakPolarHBondContact O-CA 3.42Å; S305-F308 PolarHBondContact O-N 2.87Å; S305-A309 PolarHBondContact OG-N 2.84Å; S305-C310 WeakPolarHBondContact CB-O 3.47Å; S305-C310 PolarHBondContact N-O 3.44Å; S305-C310 PolarHBondContact OG-N 3.24Å; S305-C310 PolarHBondContact OG-O 2.85Å
306	P	95.6	Very high	97.9	Very high	74 Å²	74	29.1 Å²	29.1	48%	0.481	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26	-176.6	-25.1	33.6	0	0	0	114.4	W346	P306-W346 HydrophobicContact CG-CB 4.22Å
307	D	94.7	Very high	97.9	Very high	76 Å²	76	26.2 Å²	26.2	41%	0.406	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	5.4	176.2	66.1	-11.3	0	0	0	113.4	S305 A309 H351	S305-D307 VanDerWaalsContact CB-OD1 3.25Å; S305-D307 WeakPolarHBondContact CB-OD1 3.47Å; S305-D307 PolarHBondContact O-N 3.41Å; S305-D307 VanDerWaalsContact O-N 3.13Å; S305-D307 PolarHBondContact OG-OD1 3.17Å; D307-A309 PolarHBondContact O-N 2.88Å; D307-A309 VanDerWaalsContact O-N 3.07Å; D307-A309 PolarHBondContact OD1-N 3.48Å; D307-H351 IonicContact OD2-CE1 3.95Å; D307-H351 PolarHBondContact OD2-CE1 3.4Å; D307-H351 IonicContact OD2-ND1 3.13Å; D307-H351 PolarHBondContact OD2-ND1 3.27Å
308	F	95.5	Very high	97.9	Very high	61 Å²	61	24.3 Å²	24.3	27%	0.268	14%	0.135	S	C	.	.	S	Bend	trans	61	14.5	177.2	-60.6	-63.9	0	0	0	115.9	N260 W304 S305	N260-F308 HydrophobicContact CB-CD1 3.69Å; N260-F308 HydrophobicContact CB-CE1 4.26Å; N260-F308 HydrophobicContact CB-CG 4.47Å; N260-F308 VanDerWaalsContact CG-CD1 3.42Å; N260-F308 PolarHBondContact ND2-O 2.88Å; N260-F308 VanDerWaalsContact OD1-CB 3.25Å; N260-F308 WeakPolarHBondContact OD1-CB 3.21Å; N260-F308 VanDerWaalsContact OD1-CD1 3.27Å; N260-F308 WeakPolarHBondContact OD1-CD1 3.27Å; N260-F308 VanDerWaalsContact OD1-CG 3.24Å; N260-F308 WeakPolarHBondContact OD1-CG 3.04Å; W304-F308 HydrophobicContact CB-CD1 4.2Å; S305-F308 WeakPolarHBondContact O-CA 3.42Å; S305-F308 PolarHBondContact O-N 2.87Å
309	A	95.5	Very high	97.9	Very high	44 Å²	44	27.7 Å²	27.7	36%	0.364	15%	0.147	S	C	.	.	S	Bend	trans	-77.5	-35.1	-179.2	0	0	0	0	0	113.1	S305 D307	S305-A309 PolarHBondContact OG-N 2.84Å; D307-A309 PolarHBondContact O-N 2.88Å; D307-A309 VanDerWaalsContact O-N 3.07Å; D307-A309 PolarHBondContact OD1-N 3.48Å
310	C	97.3	Very high	97.9	Very high	24 Å²	24	27.7 Å²	27.7	16%	0.162	15%	0.147	C	C	.	.			trans	-131.4	143.1	-172.2	-69	0	0	0	0	111.7	W304 S305 V322 W323 W346	W304-C310 VanDerWaalsContact CE3-O 3.26Å; S305-C310 WeakPolarHBondContact CB-O 3.47Å; S305-C310 PolarHBondContact N-O 3.44Å; S305-C310 PolarHBondContact OG-N 3.24Å; S305-C310 PolarHBondContact OG-O 2.85Å; C310-V322 HydrophobicContact CB-CG1 3.88Å; C310-W323 CarbonylContact C-O 3.53Å; C310-W323 VanDerWaalsContact CA-O 3.25Å; C310-W323 WeakPolarHBondContact CA-O 3.48Å; C310-W346 HydrophobicContact CB-CH2 3.88Å; C310-W346 HydrophobicContact CB-CZ2 3.98Å
311	L	98.3	Very high	97.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.3	170.4	175.4	67.8	0	0	0	108.1	A258 C265 I273 L302 W304 V322 W323	A258-L311 HydrophobicContact CB-CD1 4.32Å; C265-L311 HydrophobicContact CB-CD2 4.14Å; I273-L311 HydrophobicContact CG2-CD2 4.4Å; L302-L311 HydrophobicContact CD1-CD1 3.75Å; L302-L311 HydrophobicContact CD1-CD2 3.98Å; L302-L311 HydrophobicContact CD1-CG 3.96Å; L302-L311 HydrophobicContact CG-CD1 3.98Å; W304-L311 HydrophobicContact CD2-CB 4.05Å; W304-L311 HydrophobicContact CD2-CD1 3.9Å; W304-L311 HydrophobicContact CE3-CB 3.9Å; W304-L311 HydrophobicContact CG-CD1 3.99Å; W304-L311 HydrophobicContact CH2-CB 3.9Å; W304-L311 HydrophobicContact CZ2-CB 4.09Å; W304-L311 HydrophobicContact CZ2-CD1 4.37Å; W304-L311 HydrophobicContact CZ2-CD2 4.26Å; W304-L311 HydrophobicContact CZ2-CG 4.49Å; W304-L311 HydrophobicContact CZ3-CB 3.82Å; L311-V322 CarbonylContact O-C 3.14Å; L311-V322 WeakPolarHBondContact O-CA 3.38Å; L311-W323 HydrophobicContact CB-CB 4.26Å; L311-W323 PolarHBondContact N-O 2.94Å; L311-W323 PolarHBondContact O-N 3.44Å
312	A	98.7	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.8	169.1	0	0	0	0	0	109.6	L302 K303 I321 L344 W346 L354	L302-A312 WeakPolarHBondContact CA-O 3.35Å; K303-A312 PolarHBondContact N-O 3.22Å; K303-A312 PolarHBondContact O-N 3.16Å; A312-I321 CarbonylContact C-O 3.48Å; A312-I321 WeakPolarHBondContact CA-O 3.45Å; A312-L344 HydrophobicContact CB-CD1 3.84Å; A312-W346 HydrophobicContact CB-CZ2 3.61Å; A312-L354 HydrophobicContact CB-CD1 4.05Å; A312-L354 HydrophobicContact CB-CD2 3.86Å
313	S	98.8	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.7	171.2	68.1	0	0	0	0	111.1	I273 H295 G301 L320 I321 W323	I273-S313 VanDerWaalsContact CD1-CB 3.49Å; H295-S313 PolarHBondContact NE2-OG 2.79Å; G301-S313 CarbonylContact O-C 3.56Å; G301-S313 VanDerWaalsContact O-CA 3.24Å; G301-S313 WeakPolarHBondContact O-CA 3.39Å; S313-L320 CarbonylContact O-C 3.49Å; S313-L320 WeakPolarHBondContact O-CA 3.37Å; S313-I321 PolarHBondContact N-O 2.74Å; S313-I321 PolarHBondContact O-N 2.77Å; S313-W323 PolarHBondContact OG-NE1 3.27Å
314	G	98.8	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.5	173.3	0	0	0	0	0	110.5	C300 G301 R319 V341	C300-G314 PolarHBondContact N-O 3.31Å; G301-G314 PolarHBondContact N-O 3.5Å; G301-G314 PolarHBondContact O-N 2.93Å; G314-R319 WeakPolarHBondContact CA-O 3.34Å; G314-V341 CarbonylContact C-O 3.39Å; G314-V341 WeakPolarHBondContact CA-O 3.29Å
315	G	98.7	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	168.9	-173	0	0	0	0	0	114	H295 E298 D317 N318 R319 A340 V341	H295-G315 PolarHBondContact CE1-N 3.32Å; H295-G315 VanDerWaalsContact CE1-N 3.35Å; E298-G315 CarbonylContact O-C 3.59Å; E298-G315 WeakPolarHBondContact O-CA 3.43Å; G315-D317 WeakPolarHBondContact CA-OD1 3.27Å; G315-D317 PolarHBondContact O-N 2.97Å; G315-N318 PolarHBondContact O-N 3.47Å; G315-R319 PolarHBondContact N-O 2.88Å; G315-R319 VanDerWaalsContact N-O 3.13Å; G315-A340 WeakPolarHBondContact O-CA 3.27Å; G315-V341 PolarHBondContact O-N 2.75Å
316	N	98.7	Very high	97.2	Very high	38 Å²	38	38 Å²	38	20%	0.203	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.1	169.7	-164.6	47	0	0	0	113.3	Y170 Q297 E298 A340	Y170-N316 HydrophobicContact CE1-CB 3.95Å; Y170-N316 WeakPolarHBondContact CE1-OD1 3.41Å; Y170-N316 PolarHBondContact OH-OD1 3.31Å; Q297-N316 HydrophobicContact CB-CB 3.9Å; Q297-N316 PolarHBondContact OE1-ND2 3.07Å; Q297-N316 PolarHBondContact OE1-O 2.84Å; E298-N316 HydrophobicContact CB-CB 4.38Å; E298-N316 PolarHBondContact O-N 3.3Å; N316-A340 HydrophobicContact CB-CB 4.48Å; N316-A340 WeakPolarHBondContact OD1-CB 3.4Å
317	D	98.6	Very high	97	Very high	20 Å²	20	37.4 Å²	37.4	11%	0.107	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.9	169.3	63.3	-11.4	0	0	0	112.6	H295 D296 Q297 G315 R319	H295-D317 WeakPolarHBondContact CA-OD2 3.21Å; H295-D317 WeakPolarHBondContact CB-OD2 2.94Å; H295-D317 IonicContact CE1-OD1 3.54Å; H295-D317 IonicContact CG-OD1 2.85Å; H295-D317 IonicContact CG-OD2 3.03Å; H295-D317 IonicContact ND1-OD1 2.83Å; H295-D317 PolarHBondContact ND1-OD1 3.31Å; H295-D317 IonicContact ND1-OD2 2.92Å; H295-D317 PolarHBondContact ND1-OD2 3.13Å; H295-D317 VanDerWaalsContact ND1-OD2 3.16Å; D296-D317 HydrophobicContact CB-CB 4.21Å; D296-D317 PolarHBondContact N-OD2 2.76Å; Q297-D317 HydrophobicContact CB-CB 4.14Å; Q297-D317 HydrophobicContact CG-CB 4.16Å; G315-D317 WeakPolarHBondContact CA-OD1 3.27Å; G315-D317 PolarHBondContact O-N 2.97Å; D317-R319 PolarHBondContact O-N 2.69Å; D317-R319 PolarHBondContact OD1-N 2.93Å
318	N	98.6	Very high	96.8	Very high	51 Å²	51	39.1 Å²	39.1	27%	0.273	20%	0.203	S	C	.	.	S	Bend	trans	65.6	10.3	178.9	-45	-21.7	0	0	0	114.5	G315 H337 T338 A339 A340	G315-N318 PolarHBondContact O-N 3.47Å; N318-H337 WeakPolarHBondContact CB-O 3.35Å; N318-T338 PolarHBondContact ND2-O 2.81Å; N318-A339 WeakPolarHBondContact CA-O 3.22Å; N318-A339 WeakPolarHBondContact CB-O 3.36Å; N318-A339 VanDerWaalsContact CG-C 3.45Å; N318-A339 WeakPolarHBondContact OD1-CA 3.42Å; N318-A339 PolarHBondContact OD1-O 2.99Å; N318-A340 PolarHBondContact OD1-N 3.35Å; N318-A340 VanDerWaalsContact OD1-N 3.13Å
319	R	98.5	Very high	96.6	Very high	83 Å²	83	45.6 Å²	45.6	31%	0.313	23%	0.225	S	C	.	.			trans	-91.7	146	180	-66.8	179.9	176.6	157.5	11.4	111	G294 H295 D296 G314 G315 D317 I321 L333	G294-R319 PolarHBondContact O-NH1 3.16Å; H295-R319 PolarHBondContact CE1-O 2.91Å; D296-R319 IonicContact OD2-CZ 2.53Å; D296-R319 VanDerWaalsContact OD2-CZ 3.26Å; D296-R319 IonicContact OD2-NH1 2.78Å; D296-R319 PolarHBondContact OD2-NH1 3.04Å; D296-R319 IonicContact OD2-NH2 2.8Å; D296-R319 PolarHBondContact OD2-NH2 3.36Å; G314-R319 WeakPolarHBondContact CA-O 3.34Å; G315-R319 PolarHBondContact N-O 2.88Å; G315-R319 VanDerWaalsContact N-O 3.13Å; D317-R319 PolarHBondContact O-N 2.69Å; D317-R319 PolarHBondContact OD1-N 2.93Å; R319-I321 HydrophobicContact CB-CG1 4.31Å; R319-L333 HydrophobicContact CB-CD1 4.14Å; R319-L333 HydrophobicContact CG-CD1 4.19Å
320	L	98.8	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.2	165.8	173.4	72.1	0	0	0	108.2	S313 F334 V341 L344 L354 W368	S313-L320 CarbonylContact O-C 3.49Å; S313-L320 WeakPolarHBondContact O-CA 3.37Å; L320-F334 HydrophobicContact CB-CB 4.15Å; L320-F334 HydrophobicContact CD2-CB 4.36Å; L320-F334 HydrophobicContact CD2-CD2 3.81Å; L320-F334 HydrophobicContact CD2-CG 4.46Å; L320-F334 HydrophobicContact CG-CD2 4.06Å; L320-F334 PolarHBondContact N-O 2.77Å; L320-F334 PolarHBondContact O-N 3.14Å; L320-V341 HydrophobicContact CB-CG1 4.44Å; L320-V341 HydrophobicContact CD1-CG1 4.32Å; L320-L344 HydrophobicContact CD1-CB 4.48Å; L320-L344 HydrophobicContact CD1-CD2 4.04Å; L320-L354 HydrophobicContact CD1-CD2 4.21Å; L320-L354 HydrophobicContact CD2-CD2 3.84Å; L320-L354 HydrophobicContact CD2-CG 4.46Å; L320-L354 HydrophobicContact CG-CD2 4.26Å; L320-W368 HydrophobicContact CD2-CG 4.48Å
321	I	98.6	Very high	96.7	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.7	-173.7	-48.6	-176.4	0	0	0	109.3	G294 A312 S313 R319 W323 P330 L333	G294-I321 WeakPolarHBondContact O-CD1 3.12Å; A312-I321 CarbonylContact C-O 3.48Å; A312-I321 WeakPolarHBondContact CA-O 3.45Å; S313-I321 PolarHBondContact N-O 2.74Å; S313-I321 PolarHBondContact O-N 2.77Å; R319-I321 HydrophobicContact CB-CG1 4.31Å; I321-W323 HydrophobicContact CB-CZ2 3.87Å; I321-W323 HydrophobicContact CD1-CH2 4.37Å; I321-W323 HydrophobicContact CD1-CZ2 3.85Å; I321-W323 HydrophobicContact CG1-CZ2 4.45Å; I321-W323 HydrophobicContact CG2-CD2 3.95Å; I321-W323 VanDerWaalsContact CG2-CE2 3.41Å; I321-W323 HydrophobicContact CG2-CE3 4.39Å; I321-W323 HydrophobicContact CG2-CH2 3.95Å; I321-W323 HydrophobicContact CG2-CZ2 3.43Å; I321-W323 VanDerWaalsContact CG2-CZ2 3.43Å; I321-W323 HydrophobicContact CG2-CZ3 4.41Å; I321-P330 HydrophobicContact CG2-CB 3.57Å; I321-P330 HydrophobicContact CG2-CG 3.8Å; I321-L333 HydrophobicContact CD1-CD1 4.29Å; I321-L333 HydrophobicContact CG1-CD1 3.81Å
322	V	98.6	Very high	96.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.5	173	-176.6	0	0	0	0	109	C310 L311 P330 V331 Q332 F334 W346 L354 T370	C310-V322 HydrophobicContact CB-CG1 3.88Å; L311-V322 CarbonylContact O-C 3.14Å; L311-V322 WeakPolarHBondContact O-CA 3.38Å; V322-P330 CarbonylContact O-C 3.51Å; V322-V331 PolarHBondContact O-N 3.05Å; V322-Q332 HydrophobicContact CB-CB 3.98Å; V322-Q332 HydrophobicContact CB-CG 4.5Å; V322-Q332 HydrophobicContact CG2-CB 4.1Å; V322-Q332 PolarHBondContact N-O 3.37Å; V322-Q332 PolarHBondContact O-N 3.49Å; V322-F334 HydrophobicContact CG2-CE2 3.93Å; V322-W346 HydrophobicContact CG1-CH2 3.93Å; V322-W346 HydrophobicContact CG1-CZ2 4.27Å; V322-W346 HydrophobicContact CG2-CH2 4.36Å; V322-L354 HydrophobicContact CG2-CD2 4.03Å; V322-T370 HydrophobicContact CG2-CG2 4.02Å
323	W	98	Very high	96.6	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.019	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.3	-177	-46.9	90	0	0	0	110.7	F292 C310 L311 S313 I321 P330	F292-W323 HydrophobicContact CB-CD2 4.42Å; F292-W323 HydrophobicContact CB-CE3 4.22Å; F292-W323 HydrophobicContact CB-CH2 4.15Å; F292-W323 HydrophobicContact CB-CZ2 4.36Å; F292-W323 HydrophobicContact CB-CZ3 4.06Å; F292-W323 HydrophobicContact CD1-CB 4.47Å; F292-W323 AromaticContact CD1-CD2 3.97Å; F292-W323 HydrophobicContact CD1-CD2 3.97Å; F292-W323 AromaticContact CD1-CE3 3.53Å; F292-W323 HydrophobicContact CD1-CE3 3.53Å; F292-W323 HydrophobicContact CD1-CG 4.39Å; F292-W323 HydrophobicContact CD1-CZ3 4.03Å; F292-W323 HydrophobicContact CE1-CB 4.28Å; F292-W323 HydrophobicContact CE1-CE3 4.29Å; F292-W323 HydrophobicContact CG-CD2 4.41Å; F292-W323 HydrophobicContact CG-CE3 4.24Å; C310-W323 CarbonylContact C-O 3.53Å; C310-W323 VanDerWaalsContact CA-O 3.25Å; C310-W323 WeakPolarHBondContact CA-O 3.48Å; L311-W323 HydrophobicContact CB-CB 4.26Å; L311-W323 PolarHBondContact N-O 2.94Å; L311-W323 PolarHBondContact O-N 3.44Å; S313-W323 PolarHBondContact OG-NE1 3.27Å; I321-W323 HydrophobicContact CB-CZ2 3.87Å; I321-W323 HydrophobicContact CD1-CH2 4.37Å; I321-W323 HydrophobicContact CD1-CZ2 3.85Å; I321-W323 HydrophobicContact CG1-CZ2 4.45Å; I321-W323 HydrophobicContact CG2-CD2 3.95Å; I321-W323 VanDerWaalsContact CG2-CE2 3.41Å; I321-W323 HydrophobicContact CG2-CE3 4.39Å; I321-W323 HydrophobicContact CG2-CH2 3.95Å; I321-W323 HydrophobicContact CG2-CZ2 3.43Å; I321-W323 VanDerWaalsContact CG2-CZ2 3.43Å; I321-W323 HydrophobicContact CG2-CZ3 4.41Å; W323-P330 HydrophobicContact CE3-CB 4.45Å; W323-P330 HydrophobicContact CE3-CG 4.09Å; W323-P330 HydrophobicContact CH2-CG 3.9Å; W323-P330 HydrophobicContact CZ3-CB 4.38Å; W323-P330 HydrophobicContact CZ3-CG 3.56Å
324	S	96	Very high	96.6	Very high	15 Å²	15	55.1 Å²	55.1	11%	0.105	27%	0.271	C	S	.	.			trans	-127.9	143	165.7	-179.9	0	0	0	0	109.8	R290 R326 C327	R290-S324 PolarHBondContact NH2-O 3.34Å; S324-R326 PolarHBondContact O-N 2.73Å; S324-R326 VanDerWaalsContact O-N 3.1Å; S324-R326 PolarHBondContact OG-N 2.93Å; S324-C327 PolarHBondContact O-N 3.37Å; S324-C327 VanDerWaalsContact O-O 3.06Å
325	M	92.8	Very high	96.5	Very high	66 Å²	66	59.7 Å²	59.7	33%	0.325	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.1	171.2	-63.9	-59.4	-73.9	0	0	112.6	L263 A275 R290 F292 W304	L263-M325 HydrophobicContact CD1-CE 4.29Å; L263-M325 HydrophobicContact CD2-CE 3.65Å; L263-M325 HydrophobicContact CD2-CG 4.22Å; L263-M325 HydrophobicContact CD2-SD 3.88Å; A275-M325 HydrophobicContact CB-CE 4.29Å; R290-M325 VanDerWaalsContact NH1-CA 3.34Å; R290-M325 PolarHBondContact NH1-O 2.9Å; F292-M325 HydrophobicContact CE2-SD 4.31Å; F292-M325 HydrophobicContact CZ-SD 3.7Å; W304-M325 HydrophobicContact CH2-CG 3.67Å; W304-M325 HydrophobicContact CH2-SD 3.99Å; W304-M325 HydrophobicContact CZ3-CG 4.41Å
326	R	92.9	Very high	96.5	Very high	237 Å²	237	65.3 Å²	65.3	89%	0.894	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-14.4	179.2	-58.2	-178.6	-175.9	176.4	1.6	113.6	S324	S324-R326 PolarHBondContact O-N 2.73Å; S324-R326 VanDerWaalsContact O-N 3.1Å; S324-R326 PolarHBondContact OG-N 2.93Å
327	C	91.4	Very high	96.5	Very high	60 Å²	60	63.9 Å²	63.9	41%	0.405	31%	0.312	S	S	.	.			trans	-122	133.8	-172.8	-60.6	0	0	0	0	110.9	R290 S324 R329	R290-C327 PolarHBondContact NH2-O 2.87Å; S324-C327 PolarHBondContact O-N 3.37Å; S324-C327 VanDerWaalsContact O-O 3.06Å; C327-R329 VanDerWaalsContact C-N 3.31Å; C327-R329 PolarHBondContact O-N 3.06Å
328	S	89	Confident	96.5	Very high	113 Å²	113	67.2 Å²	67.2	79%	0.79	33%	0.333	S	S	*	.	S	Bend	trans	-73.6	-22.1	177.8	57	0	0	0	0	113.8
329	R	93.1	Very high	96.5	Very high	197 Å²	197	65.2 Å²	65.2	74%	0.743	32%	0.324	S	S	*	.	S	Bend	trans	-103.8	159.2	177.8	-65.2	-178	178.1	170	-0.5	110.9	C327 V331	C327-R329 VanDerWaalsContact C-N 3.31Å; C327-R329 PolarHBondContact O-N 3.06Å; R329-V331 PolarHBondContact O-N 3.47Å
330	P	96.2	Very high	96.5	Very high	57 Å²	57	61.6 Å²	61.6	37%	0.37	31%	0.312	S	S	.	.			trans	-49	138	165.7	-27.5	34.8	0	0	0	112.3	I321 V322 W323	I321-P330 HydrophobicContact CG2-CB 3.57Å; I321-P330 HydrophobicContact CG2-CG 3.8Å; V322-P330 CarbonylContact O-C 3.51Å; W323-P330 HydrophobicContact CE3-CB 4.45Å; W323-P330 HydrophobicContact CE3-CG 4.09Å; W323-P330 HydrophobicContact CH2-CG 3.9Å; W323-P330 HydrophobicContact CZ3-CB 4.38Å; W323-P330 HydrophobicContact CZ3-CG 3.56Å
331	V	97	Very high	96.5	Very high	63 Å²	63	61.6 Å²	61.6	38%	0.382	31%	0.312	S	S	.	.	S	Bend	trans	-76.7	-41.5	171.4	-178.3	0	0	0	0	110.1	V322 R329	V322-V331 PolarHBondContact O-N 3.05Å; R329-V331 PolarHBondContact O-N 3.47Å
332	Q	97.8	Very high	96.5	Very high	47 Å²	47	61.7 Å²	61.7	22%	0.22	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.2	174.3	-60.5	-66.6	-7.9	0	0	110.6	V322 F334 T370	V322-Q332 HydrophobicContact CB-CB 3.98Å; V322-Q332 HydrophobicContact CB-CG 4.5Å; V322-Q332 HydrophobicContact CG2-CB 4.1Å; V322-Q332 PolarHBondContact N-O 3.37Å; V322-Q332 PolarHBondContact O-N 3.49Å; Q332-F334 HydrophobicContact CB-CD2 4.43Å; Q332-F334 HydrophobicContact CB-CE1 4.42Å; Q332-F334 HydrophobicContact CB-CE2 3.73Å; Q332-F334 HydrophobicContact CB-CZ 3.74Å; Q332-F334 HydrophobicContact CG-CE2 4.36Å; Q332-F334 HydrophobicContact CG-CZ 4.01Å; Q332-T370 WeakPolarHBondContact CG-O 3.35Å; Q332-T370 PolarHBondContact NE2-O 2.78Å
333	L	97.9	Very high	96.5	Very high	91 Å²	91	61.8 Å²	61.8	48%	0.476	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.5	170	171.9	64.2	0	0	0	108.2	R319 I321	R319-L333 HydrophobicContact CB-CD1 4.14Å; R319-L333 HydrophobicContact CG-CD1 4.19Å; I321-L333 HydrophobicContact CD1-CD1 4.29Å; I321-L333 HydrophobicContact CG1-CD1 3.81Å
334	F	98.2	Very high	96.5	Very high	10 Å²	10	62 Å²	62	4%	0.044	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.8	176.2	-54.3	-68.6	0	0	0	109.8	L320 V322 Q332 W368 T370 G373	L320-F334 HydrophobicContact CB-CB 4.15Å; L320-F334 HydrophobicContact CD2-CB 4.36Å; L320-F334 HydrophobicContact CD2-CD2 3.81Å; L320-F334 HydrophobicContact CD2-CG 4.46Å; L320-F334 HydrophobicContact CG-CD2 4.06Å; L320-F334 PolarHBondContact N-O 2.77Å; L320-F334 PolarHBondContact O-N 3.14Å; V322-F334 HydrophobicContact CG2-CE2 3.93Å; Q332-F334 HydrophobicContact CB-CD2 4.43Å; Q332-F334 HydrophobicContact CB-CE1 4.42Å; Q332-F334 HydrophobicContact CB-CE2 3.73Å; Q332-F334 HydrophobicContact CB-CZ 3.74Å; Q332-F334 HydrophobicContact CG-CE2 4.36Å; Q332-F334 HydrophobicContact CG-CZ 4.01Å; F334-W368 HydrophobicContact CB-CD2 4.48Å; F334-W368 HydrophobicContact CB-CE3 4.22Å; F334-W368 HydrophobicContact CB-CH2 3.83Å; F334-W368 HydrophobicContact CB-CZ2 4.16Å; F334-W368 HydrophobicContact CB-CZ3 3.89Å; F334-W368 HydrophobicContact CD1-CD2 4.12Å; F334-W368 AromaticContact CD1-CE3 3.44Å; F334-W368 HydrophobicContact CD1-CE3 3.44Å; F334-W368 VanDerWaalsContact CD1-CE3 3.44Å; F334-W368 HydrophobicContact CD1-CH2 4.42Å; F334-W368 AromaticContact CD1-CZ3 3.61Å; F334-W368 HydrophobicContact CD1-CZ3 3.61Å; F334-W368 HydrophobicContact CD2-CD2 4.35Å; F334-W368 HydrophobicContact CD2-CE3 4.46Å; F334-W368 HydrophobicContact CD2-CG 4.49Å; F334-W368 HydrophobicContact CE1-CD2 4.43Å; F334-W368 AromaticContact CE1-CE3 3.81Å; F334-W368 HydrophobicContact CE1-CE3 3.81Å; F334-W368 HydrophobicContact CE1-CZ3 4.39Å; F334-W368 HydrophobicContact CE2-CB 4.29Å; F334-W368 HydrophobicContact CE2-CG 4.44Å; F334-W368 HydrophobicContact CG-CD2 4.07Å; F334-W368 AromaticContact CG-CE3 3.8Å; F334-W368 HydrophobicContact CG-CE3 3.8Å; F334-W368 HydrophobicContact CG-CH2 4.32Å; F334-W368 AromaticContact CG-CZ3 3.93Å; F334-W368 HydrophobicContact CG-CZ3 3.93Å; F334-W368 HydrophobicContact CZ-CB 4.13Å; F334-W368 HydrophobicContact CZ-CE3 4.45Å; F334-T370 HydrophobicContact CE2-CG2 4.36Å; F334-G373 WeakPolarHBondContact CE1-O 3.22Å
335	D	97.4	Very high	96.6	Very high	96 Å²	96	61.8 Å²	61.8	51%	0.513	31%	0.312	S	S	.	.			trans	-123	21.5	-170.1	67	-7.8	0	0	0	113.1
336	K	98.1	Very high	96.9	Very high	118 Å²	118	59 Å²	59	51%	0.513	30%	0.298	S	S	.	.			trans	-89.4	-8.6	-175.1	-50.1	-58.8	-180	-143.2	0	115.1	K366 W368	K336-K366 HydrophobicContact CB-CD 4.23Å; K336-K366 WeakPolarHBondContact O-CE 3.3Å; K336-W368 HydrophobicContact CB-CH2 3.81Å; K336-W368 HydrophobicContact CG-CH2 3.82Å; K336-W368 HydrophobicContact CG-CZ3 4.13Å
337	H	98.5	Very high	97.1	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.037	26%	0.259	C	S	.	.			trans	-79.9	142	172.9	-77.7	-70.3	0	0	0	109.7	N318 V341 S356 G358 D362 C364	N318-H337 WeakPolarHBondContact CB-O 3.35Å; H337-V341 HydrophobicContact CB-CG2 3.64Å; H337-S356 PolarHBondContact NE2-OG 3.23Å; H337-G358 PolarHBondContact CE1-N 2.77Å; H337-D362 WeakPolarHBondContact CA-OD1 3.36Å; H337-D362 IonicContact CE1-OD2 3.33Å; H337-D362 IonicContact CG-OD2 2.65Å; H337-D362 VanDerWaalsContact ND1-CG 3.35Å; H337-D362 IonicContact ND1-OD1 3.02Å; H337-D362 IonicContact ND1-OD2 3.94Å; H337-D362 PolarHBondContact ND1-OD2 2.96Å; H337-C364 PolarHBondContact CE1-O 2.78Å
338	T	98.4	Very high	97.3	Very high	90 Å²	90	47.6 Å²	47.6	55%	0.552	25%	0.254	S	S	*	.	S	Bend	trans	-101.2	8.8	177.4	58.7	0	0	0	0	113.3	N318 A361 D362	N318-T338 PolarHBondContact ND2-O 2.81Å; T338-A361 PolarHBondContact OG1-O 2.86Å; T338-D362 PolarHBondContact N-OD1 2.77Å; T338-D362 VanDerWaalsContact OG1-CA 3.32Å; T338-D362 WeakPolarHBondContact OG1-CA 3.29Å; T338-D362 WeakPolarHBondContact OG1-CB 3.43Å; T338-D362 PolarHBondContact OG1-OD1 2.61Å
339	A	98.4	Very high	97.5	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-150.6	172.7	178.2	0	0	0	0	0	110.4	N318 A361 D362	N318-A339 WeakPolarHBondContact CA-O 3.22Å; N318-A339 WeakPolarHBondContact CB-O 3.36Å; N318-A339 VanDerWaalsContact CG-C 3.45Å; N318-A339 WeakPolarHBondContact OD1-CA 3.42Å; N318-A339 PolarHBondContact OD1-O 2.99Å; A339-A361 HydrophobicContact CB-CB 4.1Å; A339-D362 HydrophobicContact CB-CB 3.67Å
340	A	98.5	Very high	97.5	Very high	6 Å²	6	45.2 Å²	45.2	5%	0.05	23%	0.227	C	C	.	.			trans	-49.6	138.6	-178.9	0	0	0	0	0	113.1	F169 Y170 G315 N316 N318 G359	F169-A340 HydrophobicContact CE1-CB 3.94Å; Y170-A340 HydrophobicContact CE1-CB 4.36Å; G315-A340 WeakPolarHBondContact O-CA 3.27Å; N316-A340 HydrophobicContact CB-CB 4.48Å; N316-A340 WeakPolarHBondContact OD1-CB 3.4Å; N318-A340 PolarHBondContact OD1-N 3.35Å; N318-A340 VanDerWaalsContact OD1-N 3.13Å; A340-G359 PolarHBondContact O-N 3.42Å
341	V	98.8	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.			trans	-109.1	85.5	-179.4	-172.7	0	0	0	0	109.6	G314 G315 L320 H337	G314-V341 CarbonylContact C-O 3.39Å; G314-V341 WeakPolarHBondContact CA-O 3.29Å; G315-V341 PolarHBondContact O-N 2.75Å; L320-V341 HydrophobicContact CB-CG1 4.44Å; L320-V341 HydrophobicContact CD1-CG1 4.32Å; H337-V341 HydrophobicContact CB-CG2 3.64Å
342	K	98.8	Very high	97.4	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.026	22%	0.219	C	C	.	.			trans	-89.8	-51.1	174	173.4	-178.9	175	70.9	0	111.6	F169 L171 N172 G301 L344 C386	F169-K342 HydrophobicContact CD1-CD 4.31Å; F169-K342 HydrophobicContact CD2-CD 4.34Å; F169-K342 HydrophobicContact CE1-CB 3.77Å; F169-K342 HydrophobicContact CE1-CD 4.1Å; F169-K342 HydrophobicContact CE2-CB 4.48Å; F169-K342 HydrophobicContact CE2-CD 4.16Å; F169-K342 HydrophobicContact CG-CD 4.43Å; F169-K342 HydrophobicContact CZ-CB 3.66Å; F169-K342 HydrophobicContact CZ-CD 4.03Å; F169-K342 WeakPolarHBondContact O-CD 3.29Å; F169-K342 WeakPolarHBondContact O-CE 3.29Å; F169-K342 PolarHBondContact O-NZ 3.2Å; L171-K342 PolarHBondContact O-NZ 2.93Å; N172-K342 PolarHBondContact ND2-NZ 3.16Å; N172-K342 PolarHBondContact OD1-NZ 3.47Å; G301-K342 WeakPolarHBondContact CA-O 3.12Å; K342-L344 PolarHBondContact O-N 3.29Å; K342-C386 VanDerWaalsContact CD-O 3.27Å; K342-C386 WeakPolarHBondContact CD-O 3.43Å; K342-C386 WeakPolarHBondContact CG-O 3.19Å
343	A	98.7	Very high	97.4	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	111.1	-177.9	0	0	0	0	0	109.8	S356 G357 V385 M388	A343-S356 CarbonylContact O-C 3.56Å; A343-S356 VanDerWaalsContact O-CA 3.27Å; A343-S356 WeakPolarHBondContact O-CA 3.13Å; A343-G357 PolarHBondContact O-N 3.25Å; A343-V385 HydrophobicContact CB-CB 4.41Å; A343-V385 HydrophobicContact CB-CG1 3.68Å; A343-M388 HydrophobicContact CB-CB 4.06Å
344	L	98.3	Very high	97.5	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.058	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	140.8	173.2	65.4	93.4	0	0	0	110.6	K303 A312 L320 K342 A355	K303-L344 HydrophobicContact CB-CD1 3.4Å; K303-L344 VanDerWaalsContact CB-CD1 3.4Å; A312-L344 HydrophobicContact CB-CD1 3.84Å; L320-L344 HydrophobicContact CD1-CB 4.48Å; L320-L344 HydrophobicContact CD1-CD2 4.04Å; K342-L344 PolarHBondContact O-N 3.29Å; L344-A355 WeakPolarHBondContact CA-O 3.32Å
345	D	98.5	Very high	97.5	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	142.5	177.2	-162.1	10.1	0	0	0	113	K303 A355 M388 L389 W390	K303-D345 HydrophobicContact CD-CB 4.32Å; K303-D345 WeakPolarHBondContact CD-OD1 3.42Å; K303-D345 WeakPolarHBondContact CE-OD1 3.38Å; K303-D345 IonicContact NZ-OD1 3.61Å; K303-D345 PolarHBondContact NZ-OD1 3.03Å; K303-D345 IonicContact NZ-OD2 3.58Å; K303-D345 PolarHBondContact NZ-OD2 3.14Å; D345-A355 PolarHBondContact N-O 2.85Å; D345-A355 PolarHBondContact O-N 2.67Å; D345-M388 HydrophobicContact CB-CE 4.36Å; D345-M388 HydrophobicContact CB-CG 4.36Å; D345-L389 WeakPolarHBondContact OD2-CA 3.38Å; D345-W390 PolarHBondContact O-NE1 2.92Å; D345-W390 PolarHBondContact OD2-N 2.83Å
346	W	98.3	Very high	97.6	Very high	8 Å²	8	34.2 Å²	34.2	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.8	177.1	-65.3	96.1	0	0	0	110.8	K303 W304 P306 C310 A312 V322 P348 L354 T370	K303-W346 PolarHBondContact O-NE1 2.94Å; W304-W346 VanDerWaalsContact C-CD1 3.48Å; P306-W346 HydrophobicContact CG-CB 4.22Å; C310-W346 HydrophobicContact CB-CH2 3.88Å; C310-W346 HydrophobicContact CB-CZ2 3.98Å; A312-W346 HydrophobicContact CB-CZ2 3.61Å; V322-W346 HydrophobicContact CG1-CH2 3.93Å; V322-W346 HydrophobicContact CG1-CZ2 4.27Å; V322-W346 HydrophobicContact CG2-CH2 4.36Å; W346-P348 WeakPolarHBondContact O-CD 3.36Å; W346-L354 HydrophobicContact CD2-CB 4.39Å; W346-L354 HydrophobicContact CD2-CD1 3.87Å; W346-L354 HydrophobicContact CE3-CB 3.92Å; W346-L354 HydrophobicContact CE3-CD1 4.28Å; W346-L354 HydrophobicContact CG-CD1 4.14Å; W346-L354 HydrophobicContact CH2-CB 4.47Å; W346-L354 HydrophobicContact CH2-CD2 4.33Å; W346-L354 HydrophobicContact CZ2-CD1 4.43Å; W346-L354 HydrophobicContact CZ2-CD2 4.35Å; W346-L354 HydrophobicContact CZ3-CB 3.97Å; W346-T370 HydrophobicContact CH2-CG2 3.69Å; W346-T370 HydrophobicContact CZ3-CG2 3.54Å
347	S	97.5	Very high	97.6	Very high	10 Å²	10	28.6 Å²	28.6	7%	0.07	14%	0.138	C	C	.	.			trans	-68.2	126.4	173.7	-173.1	0	0	0	0	110.4	R349 R350 L353	S347-R349 PolarHBondContact O-N 2.97Å; S347-R349 PolarHBondContact OG-N 3.02Å; S347-R350 PolarHBondContact OG-N 2.86Å; S347-L353 PolarHBondContact N-O 2.7Å
348	P	95.4	Very high	97.6	Very high	46 Å²	46	28.2 Å²	28.2	30%	0.299	14%	0.136	S	C	.	.	S	Bend	trans	-70.9	-18.2	175.4	27.5	-32.8	0	0	0	112.7	W346 W390 S391 M392	W346-P348 WeakPolarHBondContact O-CD 3.36Å; P348-W390 VanDerWaalsContact CD-CB 3.47Å; P348-W390 HydrophobicContact CG-CB 4.3Å; P348-S391 VanDerWaalsContact CG-O 3.29Å; P348-S391 WeakPolarHBondContact CG-O 3.34Å; P348-M392 HydrophobicContact CB-SD 4.03Å; P348-M392 HydrophobicContact CG-SD 4.1Å
349	R	92.9	Very high	97.5	Very high	137 Å²	137	24 Å²	24	52%	0.517	11%	0.111	S	C	.	.	S	Bend	trans	-100.8	-25.5	-173.4	-63.5	-177	171.5	-74.2	3.9	114	S347 M392 H393 S394	S347-R349 PolarHBondContact O-N 2.97Å; S347-R349 PolarHBondContact OG-N 3.02Å; R349-M392 PolarHBondContact NH2-O 2.85Å; R349-H393 PolarHBondContact NH2-O 3.5Å; R349-S394 PolarHBondContact NE-O 3.34Å
350	R	94.6	Very high	97.5	Very high	123 Å²	123	25.9 Å²	25.9	46%	0.464	13%	0.127	S	C	.	.	S	Bend	trans	-124.4	105.3	-177.2	-68.4	-176.7	-179.2	-172.3	1.4	109.5	S347 G352 L353	S347-R350 PolarHBondContact OG-N 2.86Å; R350-G352 PolarHBondContact O-N 3.38Å; R350-L353 HydrophobicContact CB-CB 3.85Å; R350-L353 HydrophobicContact CB-CD2 4.22Å; R350-L353 WeakPolarHBondContact O-CB 3.36Å; R350-L353 PolarHBondContact O-N 2.89Å; R350-L353 VanDerWaalsContact O-N 3.1Å
351	H	95.3	Very high	97.4	Very high	117 Å²	117	29.5 Å²	29.5	54%	0.542	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	135.6	175.8	176.5	73.8	0	0	0	110.7	D307 L353	D307-H351 IonicContact OD2-CE1 3.95Å; D307-H351 PolarHBondContact OD2-CE1 3.4Å; D307-H351 IonicContact OD2-ND1 3.13Å; D307-H351 PolarHBondContact OD2-ND1 3.27Å; H351-L353 VanDerWaalsContact C-N 3.25Å; H351-L353 PolarHBondContact O-N 3.35Å
352	G	95.8	Very high	97.4	Very high	4 Å²	4	30.1 Å²	30.1	4%	0.041	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	2	-177.9	0	0	0	0	0	115.5	R350 T370	R350-G352 PolarHBondContact O-N 3.38Å; G352-T370 VanDerWaalsContact CA-OG1 3.25Å; G352-T370 WeakPolarHBondContact CA-OG1 3.09Å; G352-T370 PolarHBondContact O-N 3.47Å; G352-T370 PolarHBondContact O-OG1 3.13Å; G352-T370 VanDerWaalsContact O-OG1 3.06Å
353	L	97.8	Very high	97.3	Very high	12 Å²	12	35 Å²	35	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.9	173.7	-164.8	78.2	0	0	0	110.2	S347 R350 H351 V367 W368 V376 W390 Y413	S347-L353 PolarHBondContact N-O 2.7Å; R350-L353 HydrophobicContact CB-CB 3.85Å; R350-L353 HydrophobicContact CB-CD2 4.22Å; R350-L353 WeakPolarHBondContact O-CB 3.36Å; R350-L353 PolarHBondContact O-N 2.89Å; R350-L353 VanDerWaalsContact O-N 3.1Å; H351-L353 VanDerWaalsContact C-N 3.25Å; H351-L353 PolarHBondContact O-N 3.35Å; L353-V367 HydrophobicContact CD1-CG1 3.54Å; L353-V367 HydrophobicContact CD2-CG1 4.14Å; L353-V367 HydrophobicContact CG-CG1 3.77Å; L353-W368 WeakPolarHBondContact CA-O 3.24Å; L353-V376 HydrophobicContact CD1-CG2 4.44Å; L353-W390 HydrophobicContact CD2-CH2 4.02Å; L353-W390 HydrophobicContact CD2-CZ2 4.1Å; L353-Y413 HydrophobicContact CD2-CE1 3.72Å; L353-Y413 HydrophobicContact CD2-CE2 4.33Å; L353-Y413 WeakPolarHBondContact CD2-OH 3.5Å
354	L	98.5	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.2	178.9	175.4	62	0	0	0	108.9	A312 L320 V322 W346 V367 W368 T370	A312-L354 HydrophobicContact CB-CD1 4.05Å; A312-L354 HydrophobicContact CB-CD2 3.86Å; L320-L354 HydrophobicContact CD1-CD2 4.21Å; L320-L354 HydrophobicContact CD2-CD2 3.84Å; L320-L354 HydrophobicContact CD2-CG 4.46Å; L320-L354 HydrophobicContact CG-CD2 4.26Å; V322-L354 HydrophobicContact CG2-CD2 4.03Å; W346-L354 HydrophobicContact CD2-CB 4.39Å; W346-L354 HydrophobicContact CD2-CD1 3.87Å; W346-L354 HydrophobicContact CE3-CB 3.92Å; W346-L354 HydrophobicContact CE3-CD1 4.28Å; W346-L354 HydrophobicContact CG-CD1 4.14Å; W346-L354 HydrophobicContact CH2-CB 4.47Å; W346-L354 HydrophobicContact CH2-CD2 4.33Å; W346-L354 HydrophobicContact CZ2-CD1 4.43Å; W346-L354 HydrophobicContact CZ2-CD2 4.35Å; W346-L354 HydrophobicContact CZ3-CB 3.97Å; L354-V367 CarbonylContact O-C 3.57Å; L354-V367 WeakPolarHBondContact O-CA 3.48Å; L354-W368 HydrophobicContact CB-CB 4.49Å; L354-W368 PolarHBondContact N-O 2.99Å; L354-W368 VanDerWaalsContact O-CD1 3.28Å; L354-W368 PolarHBondContact O-N 3.22Å; L354-T370 HydrophobicContact CB-CG2 3.69Å; L354-T370 HydrophobicContact CD2-CG2 4.02Å
355	A	98.6	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.1	166.4	0	0	0	0	0	109.5	L344 D345 L365 K366 V367 M388 W390	L344-A355 WeakPolarHBondContact CA-O 3.32Å; D345-A355 PolarHBondContact N-O 2.85Å; D345-A355 PolarHBondContact O-N 2.67Å; A355-L365 HydrophobicContact CB-CD1 4.39Å; A355-K366 CarbonylContact C-O 3.53Å; A355-K366 VanDerWaalsContact CA-O 3.28Å; A355-K366 WeakPolarHBondContact CA-O 3.46Å; A355-V367 HydrophobicContact CB-CG2 4.28Å; A355-M388 HydrophobicContact CB-CE 3.39Å; A355-M388 HydrophobicContact CB-SD 3.54Å; A355-M388 VanDerWaalsContact CB-SD 3.54Å; A355-M388 WeakPolarHBondContact O-CE 3.32Å; A355-W390 HydrophobicContact CB-CZ2 3.9Å
356	S	98.8	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.1	168.1	62.4	0	0	0	0	112.2	H337 A343 K366 W368	H337-S356 PolarHBondContact NE2-OG 3.23Å; A343-S356 CarbonylContact O-C 3.56Å; A343-S356 VanDerWaalsContact O-CA 3.27Å; A343-S356 WeakPolarHBondContact O-CA 3.13Å; S356-K366 PolarHBondContact N-O 3.35Å; S356-K366 PolarHBondContact O-N 2.97Å; S356-W368 PolarHBondContact OG-NE1 2.98Å
357	G	98.6	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.8	176.6	0	0	0	0	0	111.2	A343 C364	A343-G357 PolarHBondContact O-N 3.25Å; G357-C364 WeakPolarHBondContact CA-O 3.2Å
358	G	98.4	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.			trans	-92.7	154	177.7	0	0	0	0	0	113.9	H337 D362 C364 V385	H337-G358 PolarHBondContact CE1-N 2.77Å; G358-D362 WeakPolarHBondContact CA-OD2 3.41Å; G358-C364 PolarHBondContact N-O 3.06Å; G358-V385 PolarHBondContact O-N 3.01Å
359	G	98	Very high	97.5	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.021	18%	0.176	C	C	.	.			trans	-63.7	-167.9	176.9	0	0	0	0	0	115.1	A340 A361 D362 R363	A340-G359 PolarHBondContact O-N 3.42Å; G359-A361 VanDerWaalsContact C-N 3.31Å; G359-A361 PolarHBondContact O-N 3.32Å; G359-A361 VanDerWaalsContact O-N 3.16Å; G359-D362 PolarHBondContact O-N 3.29Å; G359-R363 PolarHBondContact O-N 3.08Å
360	A	96.7	Very high	97.7	Very high	50 Å²	50	29 Å²	29	41%	0.413	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.8	-169.2	0	0	0	0	0	115.8	R363 Q384	A360-R363 WeakPolarHBondContact O-CD 3.4Å; A360-R363 WeakPolarHBondContact O-CG 3.45Å; A360-Q384 HydrophobicContact CB-CB 4.06Å; A360-Q384 HydrophobicContact CB-CG 4.31Å
361	A	97.5	Very high	97.8	Very high	82 Å²	82	28.6 Å²	28.6	68%	0.678	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.4	178.7	0	0	0	0	0	114	T338 A339 G359	T338-A361 PolarHBondContact OG1-O 2.86Å; A339-A361 HydrophobicContact CB-CB 4.1Å; G359-A361 VanDerWaalsContact C-N 3.31Å; G359-A361 PolarHBondContact O-N 3.32Å; G359-A361 VanDerWaalsContact O-N 3.16Å
362	D	97.9	Very high	97.9	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.07	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-52.4	179.6	178.3	86.6	0	0	0	112	H337 T338 A339 G358 G359 C364	H337-D362 WeakPolarHBondContact CA-OD1 3.36Å; H337-D362 IonicContact CE1-OD2 3.33Å; H337-D362 IonicContact CG-OD2 2.65Å; H337-D362 VanDerWaalsContact ND1-CG 3.35Å; H337-D362 IonicContact ND1-OD1 3.02Å; H337-D362 IonicContact ND1-OD2 3.94Å; H337-D362 PolarHBondContact ND1-OD2 2.96Å; T338-D362 PolarHBondContact N-OD1 2.77Å; T338-D362 VanDerWaalsContact OG1-CA 3.32Å; T338-D362 WeakPolarHBondContact OG1-CA 3.29Å; T338-D362 WeakPolarHBondContact OG1-CB 3.43Å; T338-D362 PolarHBondContact OG1-OD1 2.61Å; A339-D362 HydrophobicContact CB-CB 3.67Å; G358-D362 WeakPolarHBondContact CA-OD2 3.41Å; G359-D362 PolarHBondContact O-N 3.29Å; D362-C364 PolarHBondContact O-N 3.02Å; D362-C364 PolarHBondContact O-SG 3.22Å; D362-C364 VanDerWaalsContact OD2-CB 3.24Å; D362-C364 WeakPolarHBondContact OD2-CB 3.48Å; D362-C364 PolarHBondContact OD2-N 2.98Å
363	R	97.9	Very high	97.9	Very high	107 Å²	107	27.7 Å²	27.7	40%	0.404	17%	0.168	S	C	.	.			trans	58.3	9.9	177	-48.3	177.3	-59.7	-165.1	0.7	114.8	G359 A360 T381 S383	G359-R363 PolarHBondContact O-N 3.08Å; A360-R363 WeakPolarHBondContact O-CD 3.4Å; A360-R363 WeakPolarHBondContact O-CG 3.45Å; R363-T381 WeakPolarHBondContact O-CB 3.46Å; R363-T381 PolarHBondContact O-N 2.95Å; R363-T381 PolarHBondContact O-OG1 3.1Å; R363-S383 WeakPolarHBondContact CA-O 3.46Å; R363-S383 WeakPolarHBondContact CB-O 3.21Å
364	C	98.2	Very high	97.9	Very high	22 Å²	22	33.2 Å²	33.2	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.6	-176.8	-66	0	0	0	0	110.8	H337 G357 G358 D362 K366 M379	H337-C364 PolarHBondContact CE1-O 2.78Å; G357-C364 WeakPolarHBondContact CA-O 3.2Å; G358-C364 PolarHBondContact N-O 3.06Å; D362-C364 PolarHBondContact O-N 3.02Å; D362-C364 PolarHBondContact O-SG 3.22Å; D362-C364 VanDerWaalsContact OD2-CB 3.24Å; D362-C364 WeakPolarHBondContact OD2-CB 3.48Å; D362-C364 PolarHBondContact OD2-N 2.98Å; C364-K366 HydrophobicContact CB-CG 4.3Å; C364-M379 CarbonylContact C-O 3.53Å; C364-M379 VanDerWaalsContact CA-O 3.29Å; C364-M379 WeakPolarHBondContact CA-O 3.25Å
365	L	98.3	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.7	158.6	172	66.3	0	0	0	108.1	A355 S378 M379 T381 M388 L397 T399 L416	A355-L365 HydrophobicContact CB-CD1 4.39Å; L365-S378 CarbonylContact O-C 3.58Å; L365-S378 WeakPolarHBondContact O-CA 3.34Å; L365-M379 PolarHBondContact N-O 3.04Å; L365-M379 PolarHBondContact O-N 3.14Å; L365-T381 HydrophobicContact CB-CG2 3.73Å; L365-M388 HydrophobicContact CD1-CE 4.45Å; L365-M388 HydrophobicContact CD1-SD 3.39Å; L365-M388 WeakPolarHBondContact CD1-SD 3.42Å; L365-L397 HydrophobicContact CD1-CD2 3.73Å; L365-L397 HydrophobicContact CD2-CD2 3.63Å; L365-L397 HydrophobicContact CG-CD2 4.29Å; L365-T399 HydrophobicContact CD1-CG2 4.34Å; L365-L416 HydrophobicContact CD2-CD1 4.01Å; L365-L416 HydrophobicContact CD2-CD2 3.74Å; L365-L416 HydrophobicContact CD2-CG 4.43Å; L365-L416 HydrophobicContact CG-CD1 4.39Å
366	K	98.6	Very high	97.8	Very high	19 Å²	19	40.2 Å²	40.2	8%	0.083	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142	178.9	-65.6	-176.7	-165.7	-68.9	0	110	K336 A355 S356 C364 W368 L375 K377 S378	K336-K366 HydrophobicContact CB-CD 4.23Å; K336-K366 WeakPolarHBondContact O-CE 3.3Å; A355-K366 CarbonylContact C-O 3.53Å; A355-K366 VanDerWaalsContact CA-O 3.28Å; A355-K366 WeakPolarHBondContact CA-O 3.46Å; S356-K366 PolarHBondContact N-O 3.35Å; S356-K366 PolarHBondContact O-N 2.97Å; C364-K366 HydrophobicContact CB-CG 4.3Å; K366-W368 HydrophobicContact CB-CH2 4.49Å; K366-W368 HydrophobicContact CB-CZ2 3.6Å; K366-W368 HydrophobicContact CD-CH2 3.88Å; K366-W368 HydrophobicContact CD-CZ2 3.55Å; K366-W368 HydrophobicContact CG-CZ2 4.2Å; K366-L375 HydrophobicContact CB-CD1 3.76Å; K366-L375 HydrophobicContact CD-CD1 4.26Å; K366-L375 HydrophobicContact CG-CD1 4.13Å; K366-K377 CarbonylContact C-O 3.54Å; K366-K377 WeakPolarHBondContact CA-O 3.47Å; K366-S378 PolarHBondContact NZ-OG 2.99Å; K366-S378 VanDerWaalsContact NZ-OG 3.07Å
367	V	98.5	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.3	177.2	-176.4	0	0	0	0	108.9	L353 L354 A355 V376 K377 Y413 L416	L353-V367 HydrophobicContact CD1-CG1 3.54Å; L353-V367 HydrophobicContact CD2-CG1 4.14Å; L353-V367 HydrophobicContact CG-CG1 3.77Å; L354-V367 CarbonylContact O-C 3.57Å; L354-V367 WeakPolarHBondContact O-CA 3.48Å; A355-V367 HydrophobicContact CB-CG2 4.28Å; V367-V376 HydrophobicContact CG1-CB 4.5Å; V367-V376 WeakPolarHBondContact O-CA 3.45Å; V367-V376 WeakPolarHBondContact O-CB 3.16Å; V367-V376 PolarHBondContact O-N 3.45Å; V367-K377 HydrophobicContact CB-CB 4.29Å; V367-K377 PolarHBondContact N-O 2.56Å; V367-K377 PolarHBondContact O-N 2.69Å; V367-Y413 HydrophobicContact CB-CE2 4.46Å; V367-Y413 HydrophobicContact CG1-CE2 3.96Å; V367-Y413 HydrophobicContact CG2-CE2 4.18Å; V367-L416 HydrophobicContact CG2-CD1 4.38Å
368	W	98.5	Very high	97.7	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.8	-169.6	-44.1	91.1	0	0	0	110.6	L320 F334 K336 L353 L354 S356 K366 Q374 L375	L320-W368 HydrophobicContact CD2-CG 4.48Å; F334-W368 HydrophobicContact CB-CD2 4.48Å; F334-W368 HydrophobicContact CB-CE3 4.22Å; F334-W368 HydrophobicContact CB-CH2 3.83Å; F334-W368 HydrophobicContact CB-CZ2 4.16Å; F334-W368 HydrophobicContact CB-CZ3 3.89Å; F334-W368 HydrophobicContact CD1-CD2 4.12Å; F334-W368 AromaticContact CD1-CE3 3.44Å; F334-W368 HydrophobicContact CD1-CE3 3.44Å; F334-W368 VanDerWaalsContact CD1-CE3 3.44Å; F334-W368 HydrophobicContact CD1-CH2 4.42Å; F334-W368 AromaticContact CD1-CZ3 3.61Å; F334-W368 HydrophobicContact CD1-CZ3 3.61Å; F334-W368 HydrophobicContact CD2-CD2 4.35Å; F334-W368 HydrophobicContact CD2-CE3 4.46Å; F334-W368 HydrophobicContact CD2-CG 4.49Å; F334-W368 HydrophobicContact CE1-CD2 4.43Å; F334-W368 AromaticContact CE1-CE3 3.81Å; F334-W368 HydrophobicContact CE1-CE3 3.81Å; F334-W368 HydrophobicContact CE1-CZ3 4.39Å; F334-W368 HydrophobicContact CE2-CB 4.29Å; F334-W368 HydrophobicContact CE2-CG 4.44Å; F334-W368 HydrophobicContact CG-CD2 4.07Å; F334-W368 AromaticContact CG-CE3 3.8Å; F334-W368 HydrophobicContact CG-CE3 3.8Å; F334-W368 HydrophobicContact CG-CH2 4.32Å; F334-W368 AromaticContact CG-CZ3 3.93Å; F334-W368 HydrophobicContact CG-CZ3 3.93Å; F334-W368 HydrophobicContact CZ-CB 4.13Å; F334-W368 HydrophobicContact CZ-CE3 4.45Å; K336-W368 HydrophobicContact CB-CH2 3.81Å; K336-W368 HydrophobicContact CG-CH2 3.82Å; K336-W368 HydrophobicContact CG-CZ3 4.13Å; L353-W368 WeakPolarHBondContact CA-O 3.24Å; L354-W368 HydrophobicContact CB-CB 4.49Å; L354-W368 PolarHBondContact N-O 2.99Å; L354-W368 VanDerWaalsContact O-CD1 3.28Å; L354-W368 PolarHBondContact O-N 3.22Å; S356-W368 PolarHBondContact OG-NE1 2.98Å; K366-W368 HydrophobicContact CB-CH2 4.49Å; K366-W368 HydrophobicContact CB-CZ2 3.6Å; K366-W368 HydrophobicContact CD-CH2 3.88Å; K366-W368 HydrophobicContact CD-CZ2 3.55Å; K366-W368 HydrophobicContact CG-CZ2 4.2Å; W368-Q374 WeakPolarHBondContact CA-O 3.32Å; W368-L375 HydrophobicContact CD2-CD1 3.95Å; W368-L375 HydrophobicContact CE3-CB 3.83Å; W368-L375 HydrophobicContact CE3-CD1 3.69Å; W368-L375 HydrophobicContact CE3-CG 4.36Å; W368-L375 HydrophobicContact CH2-CD1 3.93Å; W368-L375 HydrophobicContact CZ2-CD1 4.12Å; W368-L375 HydrophobicContact CZ3-CB 3.76Å; W368-L375 HydrophobicContact CZ3-CD1 3.68Å; W368-L375 HydrophobicContact CZ3-CG 4.2Å
369	N	98	Very high	97.6	Very high	46 Å²	46	50.4 Å²	50.4	25%	0.246	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	109.6	162.4	-178.5	-27	0	0	0	107.7	L371 T372 G373 Q374 V376	N369-L371 VanDerWaalsContact C-N 3.3Å; N369-L371 PolarHBondContact O-N 2.67Å; N369-L371 WeakPolarHBondContact OD1-CB 3.41Å; N369-L371 PolarHBondContact OD1-N 2.91Å; N369-T372 WeakPolarHBondContact CB-OG1 3.32Å; N369-T372 VanDerWaalsContact CG-OG1 3.27Å; N369-T372 PolarHBondContact OD1-N 2.98Å; N369-T372 VanDerWaalsContact OD1-N 3.17Å; N369-G373 WeakPolarHBondContact O-CA 3.09Å; N369-G373 PolarHBondContact O-N 2.94Å; N369-Q374 PolarHBondContact N-O 2.71Å; N369-Q374 PolarHBondContact O-N 3.36Å; N369-V376 HydrophobicContact CB-CG2 3.85Å
370	T	97.6	Very high	97.6	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.049	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.6	-176.1	65.5	0	0	0	0	113.4	V322 Q332 F334 W346 G352 L354	V322-T370 HydrophobicContact CG2-CG2 4.02Å; Q332-T370 WeakPolarHBondContact CG-O 3.35Å; Q332-T370 PolarHBondContact NE2-O 2.78Å; F334-T370 HydrophobicContact CE2-CG2 4.36Å; W346-T370 HydrophobicContact CH2-CG2 3.69Å; W346-T370 HydrophobicContact CZ3-CG2 3.54Å; G352-T370 VanDerWaalsContact CA-OG1 3.25Å; G352-T370 WeakPolarHBondContact CA-OG1 3.09Å; G352-T370 PolarHBondContact O-N 3.47Å; G352-T370 PolarHBondContact O-OG1 3.13Å; G352-T370 VanDerWaalsContact O-OG1 3.06Å; L354-T370 HydrophobicContact CB-CG2 3.69Å; L354-T370 HydrophobicContact CD2-CG2 4.02Å
371	L	96.5	Very high	97.6	Very high	115 Å²	115	52.4 Å²	52.4	60%	0.602	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-41.5	174	-56	175.8	0	0	0	111	N369	N369-L371 VanDerWaalsContact C-N 3.3Å; N369-L371 PolarHBondContact O-N 2.67Å; N369-L371 WeakPolarHBondContact OD1-CB 3.41Å; N369-L371 PolarHBondContact OD1-N 2.91Å
372	T	97	Very high	97.5	Very high	76 Å²	76	49.7 Å²	49.7	47%	0.466	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.5	-179.6	65.3	0	0	0	0	113.8	N369 Q374	N369-T372 WeakPolarHBondContact CB-OG1 3.32Å; N369-T372 VanDerWaalsContact CG-OG1 3.27Å; N369-T372 PolarHBondContact OD1-N 2.98Å; N369-T372 VanDerWaalsContact OD1-N 3.17Å; T372-Q374 VanDerWaalsContact C-N 3.27Å; T372-Q374 PolarHBondContact O-N 3.21Å; T372-Q374 WeakPolarHBondContact OG1-CB 3.42Å; T372-Q374 WeakPolarHBondContact OG1-CG 3.21Å; T372-Q374 PolarHBondContact OG1-N 3.2Å
373	G	96.7	Very high	97.4	Very high	26 Å²	26	49.1 Å²	49.1	27%	0.268	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	17.5	-173.7	0	0	0	0	0	113.8	F334 N369	F334-G373 WeakPolarHBondContact CE1-O 3.22Å; N369-G373 WeakPolarHBondContact O-CA 3.09Å; N369-G373 PolarHBondContact O-N 2.94Å
374	Q	97.7	Very high	97.4	Very high	127 Å²	127	44.8 Å²	44.8	59%	0.593	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.9	-174.8	-66.9	178.2	-13.7	0	0	112.8	W368 N369 T372 V376	W368-Q374 WeakPolarHBondContact CA-O 3.32Å; N369-Q374 PolarHBondContact N-O 2.71Å; N369-Q374 PolarHBondContact O-N 3.36Å; T372-Q374 VanDerWaalsContact C-N 3.27Å; T372-Q374 PolarHBondContact O-N 3.21Å; T372-Q374 WeakPolarHBondContact OG1-CB 3.42Å; T372-Q374 WeakPolarHBondContact OG1-CG 3.21Å; T372-Q374 PolarHBondContact OG1-N 3.2Å; Q374-V376 PolarHBondContact O-N 3.15Å
375	L	98.1	Very high	97.4	Very high	74 Å²	74	43.7 Å²	43.7	39%	0.387	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.6	165	178.4	65.2	0	0	0	109	K366 W368 K377	K366-L375 HydrophobicContact CB-CD1 3.76Å; K366-L375 HydrophobicContact CD-CD1 4.26Å; K366-L375 HydrophobicContact CG-CD1 4.13Å; W368-L375 HydrophobicContact CD2-CD1 3.95Å; W368-L375 HydrophobicContact CE3-CB 3.83Å; W368-L375 HydrophobicContact CE3-CD1 3.69Å; W368-L375 HydrophobicContact CE3-CG 4.36Å; W368-L375 HydrophobicContact CH2-CD1 3.93Å; W368-L375 HydrophobicContact CZ2-CD1 4.12Å; W368-L375 HydrophobicContact CZ3-CB 3.76Å; W368-L375 HydrophobicContact CZ3-CD1 3.68Å; W368-L375 HydrophobicContact CZ3-CG 4.2Å; L375-K377 WeakPolarHBondContact CD1-O 3.34Å
376	V	97.5	Very high	97.4	Very high	74 Å²	74	43.7 Å²	43.7	45%	0.448	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-43.6	-178.6	179.8	0	0	0	0	111.2	L353 V367 N369 Q374	L353-V376 HydrophobicContact CD1-CG2 4.44Å; V367-V376 HydrophobicContact CG1-CB 4.5Å; V367-V376 WeakPolarHBondContact O-CA 3.45Å; V367-V376 WeakPolarHBondContact O-CB 3.16Å; V367-V376 PolarHBondContact O-N 3.45Å; N369-V376 HydrophobicContact CB-CG2 3.85Å; Q374-V376 PolarHBondContact O-N 3.15Å
377	K	96.8	Very high	97.4	Very high	88 Å²	88	43.7 Å²	43.7	38%	0.383	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	146.6	-176.1	-164.9	71.3	175.2	-175.9	0	110.6	K366 V367 L375 L416	K366-K377 CarbonylContact C-O 3.54Å; K366-K377 WeakPolarHBondContact CA-O 3.47Å; V367-K377 HydrophobicContact CB-CB 4.29Å; V367-K377 PolarHBondContact N-O 2.56Å; V367-K377 PolarHBondContact O-N 2.69Å; L375-K377 WeakPolarHBondContact CD1-O 3.34Å; K377-L416 HydrophobicContact CB-CD1 4.12Å; K377-L416 HydrophobicContact CG-CD1 3.44Å; K377-L416 VanDerWaalsContact CG-CD1 3.44Å; K377-L416 HydrophobicContact CG-CG 4.08Å
378	S	97.3	Very high	97.4	Very high	52 Å²	52	44.1 Å²	44.1	36%	0.364	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.4	171.1	-171.1	0	0	0	0	108.7	L365 K366	L365-S378 CarbonylContact O-C 3.58Å; L365-S378 WeakPolarHBondContact O-CA 3.34Å; K366-S378 PolarHBondContact NZ-OG 2.99Å; K366-S378 VanDerWaalsContact NZ-OG 3.07Å
379	M	96.8	Very high	97.4	Very high	73 Å²	73	44.9 Å²	44.9	36%	0.36	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.5	178.5	-176.7	65.1	-134	0	0	109.5	C364 L365 T381 W411 L416	C364-M379 CarbonylContact C-O 3.53Å; C364-M379 VanDerWaalsContact CA-O 3.29Å; C364-M379 WeakPolarHBondContact CA-O 3.25Å; L365-M379 PolarHBondContact N-O 3.04Å; L365-M379 PolarHBondContact O-N 3.14Å; M379-T381 PolarHBondContact O-N 3.32Å; M379-W411 HydrophobicContact CG-CZ3 4.34Å; M379-L416 HydrophobicContact CB-CB 4.31Å; M379-L416 HydrophobicContact CB-CD1 3.85Å; M379-L416 HydrophobicContact CG-CB 4.45Å
380	D	97	Very high	97.4	Very high	80 Å²	80	43 Å²	43	43%	0.428	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118.8	169.2	-175.1	0.1	0	0	0	109.1	G382	D380-G382 VanDerWaalsContact C-N 3.33Å; D380-G382 PolarHBondContact OD1-N 3.13Å
381	T	96.4	Very high	97.3	Very high	14 Å²	14	42.6 Å²	42.6	9%	0.086	24%	0.238	C	C	.	.			trans	-85.2	-11.2	179.6	69	0	0	0	0	112.6	R363 L365 M379 S383 V385 W411	R363-T381 WeakPolarHBondContact O-CB 3.46Å; R363-T381 PolarHBondContact O-N 2.95Å; R363-T381 PolarHBondContact O-OG1 3.1Å; L365-T381 HydrophobicContact CB-CG2 3.73Å; M379-T381 PolarHBondContact O-N 3.32Å; T381-S383 PolarHBondContact O-N 3.27Å; T381-S383 PolarHBondContact OG1-O 3.16Å; T381-V385 HydrophobicContact CG2-CG2 4.06Å; T381-W411 HydrophobicContact CG2-CH2 4.32Å; T381-W411 HydrophobicContact CG2-CZ2 3.93Å
382	G	95.5	Very high	97.2	Very high	26 Å²	26	42.3 Å²	42.3	27%	0.268	24%	0.235	S	C	.	.	S	Bend	trans	76.7	-0.6	-177.9	0	0	0	0	0	114.6	D380	D380-G382 VanDerWaalsContact C-N 3.33Å; D380-G382 PolarHBondContact OD1-N 3.13Å
383	S	96.6	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-149.9	158.2	-178.2	-178.3	0	0	0	0	112	R363 T381 V385 G402 Y403 S404	R363-S383 WeakPolarHBondContact CA-O 3.46Å; R363-S383 WeakPolarHBondContact CB-O 3.21Å; T381-S383 PolarHBondContact O-N 3.27Å; T381-S383 PolarHBondContact OG1-O 3.16Å; S383-V385 PolarHBondContact O-N 2.86Å; S383-G402 PolarHBondContact OG-O 3.31Å; S383-Y403 CarbonylContact C-O 3.57Å; S383-Y403 WeakPolarHBondContact CA-O 3.28Å; S383-Y403 WeakPolarHBondContact CB-O 3.43Å; S383-Y403 PolarHBondContact OG-O 3.12Å; S383-S404 PolarHBondContact OG-N 2.83Å
384	Q	98.2	Very high	96.6	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.075	22%	0.215	C	C	.	.			trans	-51.4	124.5	170.9	177.3	170.6	34.9	0	0	110.5	F169 A360 H401 G402 Y403	F169-Q384 HydrophobicContact CD2-CG 4.4Å; F169-Q384 HydrophobicContact CE2-CG 3.88Å; A360-Q384 HydrophobicContact CB-CB 4.06Å; A360-Q384 HydrophobicContact CB-CG 4.31Å; Q384-H401 CarbonylContact O-C 3.56Å; Q384-H401 WeakPolarHBondContact O-CA 3.48Å; Q384-G402 PolarHBondContact O-N 3.47Å; Q384-Y403 PolarHBondContact N-O 3.46Å
385	V	98.6	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.4	175	-168.5	0	0	0	0	108.9	A343 G358 T381 S383 T399	A343-V385 HydrophobicContact CB-CB 4.41Å; A343-V385 HydrophobicContact CB-CG1 3.68Å; G358-V385 PolarHBondContact O-N 3.01Å; T381-V385 HydrophobicContact CG2-CG2 4.06Å; S383-V385 PolarHBondContact O-N 2.86Å; V385-T399 HydrophobicContact CG1-CG2 4.25Å
386	C	98.5	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-47.6	-174	-63.5	0	0	0	0	112.6	F169 K342 T400 G402 V429 L430	F169-C386 HydrophobicContact CE2-CB 4.3Å; K342-C386 VanDerWaalsContact CD-O 3.27Å; K342-C386 WeakPolarHBondContact CD-O 3.43Å; K342-C386 WeakPolarHBondContact CG-O 3.19Å; C386-T400 PolarHBondContact N-O 2.83Å; C386-G402 PolarHBondContact SG-N 3.15Å; C386-V429 WeakPolarHBondContact CB-O 3.36Å; C386-L430 HydrophobicContact CB-CD2 4.28Å
387	N	98.5	Very high	96.2	Very high	18 Å²	18	30.7 Å²	30.7	10%	0.096	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	171.8	173.1	-64.9	-80.5	0	0	0	111.2	T399 T400 L430 Y431 L432	N387-T399 WeakPolarHBondContact O-CA 3.25Å; N387-T400 WeakPolarHBondContact CB-OG1 2.94Å; N387-T400 PolarHBondContact N-OG1 3.39Å; N387-T400 VanDerWaalsContact N-OG1 3.09Å; N387-T400 PolarHBondContact O-N 2.94Å; N387-L430 PolarHBondContact ND2-O 3.36Å; N387-Y431 PolarHBondContact ND2-N 3.07Å; N387-L432 HydrophobicContact CB-CB 3.58Å; N387-L432 HydrophobicContact CB-CD2 3.81Å; N387-L432 HydrophobicContact CB-CG 4.36Å
388	M	97.9	Very high	96.2	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.044	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	148.1	177.9	-178.6	164.8	57.1	0	0	111.5	A343 D345 A355 L365 L397 V398 T399	A343-M388 HydrophobicContact CB-CB 4.06Å; D345-M388 HydrophobicContact CB-CE 4.36Å; D345-M388 HydrophobicContact CB-CG 4.36Å; A355-M388 HydrophobicContact CB-CE 3.39Å; A355-M388 HydrophobicContact CB-SD 3.54Å; A355-M388 VanDerWaalsContact CB-SD 3.54Å; A355-M388 WeakPolarHBondContact O-CE 3.32Å; L365-M388 HydrophobicContact CD1-CE 4.45Å; L365-M388 HydrophobicContact CD1-SD 3.39Å; L365-M388 WeakPolarHBondContact CD1-SD 3.42Å; M388-L397 HydrophobicContact CG-CD1 3.31Å; M388-L397 HydrophobicContact CG-CD2 4.13Å; M388-L397 HydrophobicContact CG-CG 3.85Å; M388-L397 HydrophobicContact SD-CD1 3.68Å; M388-L397 HydrophobicContact SD-CD2 3.6Å; M388-L397 HydrophobicContact SD-CG 4Å; M388-V398 CarbonylContact C-O 3.55Å; M388-V398 WeakPolarHBondContact CA-O 3.38Å; M388-T399 HydrophobicContact CB-CG2 4.37Å; M388-T399 HydrophobicContact CG-CG2 4.06Å; M388-T399 HydrophobicContact SD-CG2 4.12Å
389	L	98	Very high	96.3	Very high	21 Å²	21	24 Å²	24	11%	0.11	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	127.9	178.8	-142.7	148.8	0	0	0	111.5	D345 V398 L432 M434	D345-L389 WeakPolarHBondContact OD2-CA 3.38Å; L389-V398 PolarHBondContact N-O 2.91Å; L389-V398 PolarHBondContact O-N 2.95Å; L389-L432 HydrophobicContact CB-CD2 3.72Å; L389-L432 HydrophobicContact CB-CG 4.45Å; L389-L432 HydrophobicContact CD1-CD2 4.31Å; L389-L432 HydrophobicContact CD1-CG 4.2Å; L389-M434 HydrophobicContact CD1-CB 3.73Å; L389-M434 HydrophobicContact CD2-CB 3.56Å; L389-M434 HydrophobicContact CD2-CE 3.28Å; L389-M434 HydrophobicContact CD2-CG 4.12Å; L389-M434 HydrophobicContact CD2-SD 3.55Å; L389-M434 VanDerWaalsContact CD2-SD 3.55Å; L389-M434 HydrophobicContact CG-CB 4.32Å
390	W	97.8	Very high	96.4	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.019	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.5	172.4	-76.6	99	0	0	0	111.1	D345 P348 L353 A355 M392 L397 Y413	D345-W390 PolarHBondContact O-NE1 2.92Å; D345-W390 PolarHBondContact OD2-N 2.83Å; P348-W390 VanDerWaalsContact CD-CB 3.47Å; P348-W390 HydrophobicContact CG-CB 4.3Å; L353-W390 HydrophobicContact CD2-CH2 4.02Å; L353-W390 HydrophobicContact CD2-CZ2 4.1Å; A355-W390 HydrophobicContact CB-CZ2 3.9Å; W390-M392 PolarHBondContact O-N 3.17Å; W390-L397 HydrophobicContact CB-CD1 4.49Å; W390-L397 HydrophobicContact CD2-CD1 3.65Å; W390-L397 HydrophobicContact CE3-CB 4.26Å; W390-L397 HydrophobicContact CE3-CD1 4.18Å; W390-L397 HydrophobicContact CG-CD1 3.78Å; W390-L397 HydrophobicContact CZ2-CD1 4.35Å; W390-L397 HydrophobicContact CZ3-CB 4.37Å; W390-Y413 AromaticContact CH2-CD1 3.88Å; W390-Y413 HydrophobicContact CH2-CD1 3.88Å; W390-Y413 AromaticContact CH2-CD2 3.64Å; W390-Y413 HydrophobicContact CH2-CD2 3.64Å; W390-Y413 HydrophobicContact CH2-CE1 4.27Å; W390-Y413 HydrophobicContact CH2-CE2 4.07Å; W390-Y413 AromaticContact CH2-CG 3.56Å; W390-Y413 HydrophobicContact CH2-CG 3.56Å; W390-Y413 AromaticContact CZ3-CD1 3.92Å; W390-Y413 HydrophobicContact CZ3-CD1 3.92Å; W390-Y413 HydrophobicContact CZ3-CD2 4.24Å; W390-Y413 AromaticContact CZ3-CG 3.7Å; W390-Y413 HydrophobicContact CZ3-CG 3.7Å
391	S	96.2	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.			trans	-62.5	137.3	170.1	-169.4	0	0	0	0	111.5	P348 H393 S394 E396 F456	P348-S391 VanDerWaalsContact CG-O 3.29Å; P348-S391 WeakPolarHBondContact CG-O 3.34Å; S391-H393 VanDerWaalsContact C-N 3.31Å; S391-H393 PolarHBondContact OG-N 3.44Å; S391-H393 VanDerWaalsContact OG-N 3.16Å; S391-S394 WeakPolarHBondContact CB-OG 3.5Å; S391-S394 PolarHBondContact OG-N 3.42Å; S391-S394 VanDerWaalsContact OG-N 3.14Å; S391-S394 PolarHBondContact OG-OG 3.44Å; S391-S394 VanDerWaalsContact OG-OG 3.07Å; S391-E396 PolarHBondContact N-O 2.99Å; S391-F456 WeakPolarHBondContact OG-CD1 3.46Å; S391-F456 WeakPolarHBondContact OG-CE1 3.37Å; S391-F456 WeakPolarHBondContact OG-CG 3.43Å
392	M	93.2	Very high	96.5	Very high	110 Å²	110	16 Å²	16	54%	0.542	9%	0.092	S	C	.	.	S	Bend	trans	-74.4	-26.2	168.8	-59.6	-62.9	-77.4	0	0	111.6	P348 R349 W390 M434	P348-M392 HydrophobicContact CB-SD 4.03Å; P348-M392 HydrophobicContact CG-SD 4.1Å; R349-M392 PolarHBondContact NH2-O 2.85Å; W390-M392 PolarHBondContact O-N 3.17Å; M392-M434 HydrophobicContact CG-SD 3.66Å
393	H	91	Very high	96.3	Very high	38 Å²	38	21.1 Å²	21.1	18%	0.176	10%	0.104	C	C	.	.	S	Bend	trans	-105.4	-19.7	-171	-59.2	-52.2	0	0	0	114.6	R349 S391 D437 G438	R349-H393 PolarHBondContact NH2-O 3.5Å; S391-H393 VanDerWaalsContact C-N 3.31Å; S391-H393 PolarHBondContact OG-N 3.44Å; S391-H393 VanDerWaalsContact OG-N 3.16Å; H393-D437 PolarHBondContact CE1-O 3.22Å; H393-D437 PolarHBondContact NE2-O 3.34Å; H393-G438 PolarHBondContact CD2-O 3.09Å
394	S	91.2	Very high	96	Very high	18 Å²	18	26 Å²	26	13%	0.126	14%	0.139	C	C	.	.	S	Bend	trans	-134.3	173.1	-178.5	62.1	0	0	0	0	111.3	R349 S391 E396	R349-S394 PolarHBondContact NE-O 3.34Å; S391-S394 WeakPolarHBondContact CB-OG 3.5Å; S391-S394 PolarHBondContact OG-N 3.42Å; S391-S394 VanDerWaalsContact OG-N 3.14Å; S391-S394 PolarHBondContact OG-OG 3.44Å; S391-S394 VanDerWaalsContact OG-OG 3.07Å; S394-E396 PolarHBondContact O-N 3.4Å; S394-E396 VanDerWaalsContact OG-CB 3.3Å; S394-E396 WeakPolarHBondContact OG-CB 3.17Å; S394-E396 VanDerWaalsContact OG-CG 3.28Å; S394-E396 WeakPolarHBondContact OG-CG 3.45Å; S394-E396 PolarHBondContact OG-OE2 2.96Å
395	S	92.2	Very high	95.7	Very high	55 Å²	55	28.6 Å²	28.6	39%	0.385	15%	0.15	S	C	.	.	S	Bend	trans	-88	57	167.9	-63.7	0	0	0	0	109.7	Y413	S395-Y413 WeakPolarHBondContact O-CB 3.36Å; S395-Y413 PolarHBondContact O-N 2.87Å
396	E	95.4	Very high	95.6	Very high	21 Å²	21	30.2 Å²	30.2	10%	0.098	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.3	-178.5	-63.8	168.8	164.2	0	0	110	R150 S391 S394 W411 I419 F456	R150-E396 IonicContact CZ-OE1 2.87Å; R150-E396 IonicContact CZ-OE2 3.79Å; R150-E396 VanDerWaalsContact CZ-OE2 3.25Å; R150-E396 IonicContact NH1-OE1 2.78Å; R150-E396 PolarHBondContact NH1-OE1 3.13Å; R150-E396 VanDerWaalsContact NH1-OE1 3.13Å; R150-E396 IonicContact NH1-OE2 3.72Å; R150-E396 PolarHBondContact NH1-OE2 2.86Å; R150-E396 IonicContact NH2-OE1 2.85Å; R150-E396 PolarHBondContact NH2-OE1 3.31Å; R150-E396 IonicContact NH2-OE2 2.56Å; R150-E396 PolarHBondContact NH2-OE2 2.98Å; S391-E396 PolarHBondContact N-O 2.99Å; S394-E396 PolarHBondContact O-N 3.4Å; S394-E396 VanDerWaalsContact OG-CB 3.3Å; S394-E396 WeakPolarHBondContact OG-CB 3.17Å; S394-E396 VanDerWaalsContact OG-CG 3.28Å; S394-E396 WeakPolarHBondContact OG-CG 3.45Å; S394-E396 PolarHBondContact OG-OE2 2.96Å; E396-W411 VanDerWaalsContact CA-O 3.25Å; E396-W411 WeakPolarHBondContact CA-O 3.45Å; E396-W411 WeakPolarHBondContact CB-O 3.33Å; E396-I419 HydrophobicContact CG-CD1 3.9Å; E396-I419 WeakPolarHBondContact OE1-CD1 3.42Å; E396-F456 HydrophobicContact CB-CE1 3.94Å; E396-F456 WeakPolarHBondContact OE2-CD1 3.31Å; E396-F456 WeakPolarHBondContact OE2-CE1 3.4Å
397	L	96.8	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.1	-177.4	-179	73.9	0	0	0	108.4	L365 M388 W390 T399 V410 W411	L365-L397 HydrophobicContact CD1-CD2 3.73Å; L365-L397 HydrophobicContact CD2-CD2 3.63Å; L365-L397 HydrophobicContact CG-CD2 4.29Å; M388-L397 HydrophobicContact CG-CD1 3.31Å; M388-L397 HydrophobicContact CG-CD2 4.13Å; M388-L397 HydrophobicContact CG-CG 3.85Å; M388-L397 HydrophobicContact SD-CD1 3.68Å; M388-L397 HydrophobicContact SD-CD2 3.6Å; M388-L397 HydrophobicContact SD-CG 4Å; W390-L397 HydrophobicContact CB-CD1 4.49Å; W390-L397 HydrophobicContact CD2-CD1 3.65Å; W390-L397 HydrophobicContact CE3-CB 4.26Å; W390-L397 HydrophobicContact CE3-CD1 4.18Å; W390-L397 HydrophobicContact CG-CD1 3.78Å; W390-L397 HydrophobicContact CZ2-CD1 4.35Å; W390-L397 HydrophobicContact CZ3-CB 4.37Å; L397-T399 HydrophobicContact CD2-CG2 4.27Å; L397-T399 HydrophobicContact CG-CG2 4.48Å; L397-V410 CarbonylContact O-C 3.55Å; L397-W411 HydrophobicContact CB-CB 4.34Å; L397-W411 PolarHBondContact N-O 2.96Å; L397-W411 PolarHBondContact O-N 3.5Å
398	V	98.1	Very high	95.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136	170.5	170.7	0	0	0	0	108.5	M388 L389 V408 V409 V410 L432 I441 V455 F456	M388-V398 CarbonylContact C-O 3.55Å; M388-V398 WeakPolarHBondContact CA-O 3.38Å; L389-V398 PolarHBondContact N-O 2.91Å; L389-V398 PolarHBondContact O-N 2.95Å; V398-V408 HydrophobicContact CG1-CG1 3.53Å; V398-V409 CarbonylContact C-O 3.53Å; V398-V409 WeakPolarHBondContact CA-O 3.11Å; V398-V410 HydrophobicContact CG2-CG1 4.41Å; V398-V410 HydrophobicContact CG2-CG2 4.23Å; V398-L432 HydrophobicContact CG1-CD1 4.38Å; V398-L432 HydrophobicContact CG1-CD2 4.37Å; V398-I441 HydrophobicContact CG1-CD1 3.81Å; V398-I441 HydrophobicContact CG2-CD1 4.43Å; V398-V455 HydrophobicContact CG2-CG1 4.07Å; V398-F456 HydrophobicContact CG2-CE1 4.46Å; V398-F456 HydrophobicContact CG2-CE2 4.15Å; V398-F456 HydrophobicContact CG2-CZ 3.58Å
399	T	98.6	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.9	168.4	58.2	0	0	0	0	110	L365 V385 N387 M388 L397 H401 V408 V409 W411	L365-T399 HydrophobicContact CD1-CG2 4.34Å; V385-T399 HydrophobicContact CG1-CG2 4.25Å; N387-T399 WeakPolarHBondContact O-CA 3.25Å; M388-T399 HydrophobicContact CB-CG2 4.37Å; M388-T399 HydrophobicContact CG-CG2 4.06Å; M388-T399 HydrophobicContact SD-CG2 4.12Å; L397-T399 HydrophobicContact CD2-CG2 4.27Å; L397-T399 HydrophobicContact CG-CG2 4.48Å; T399-H401 PolarHBondContact OG1-CE1 3.36Å; T399-H401 PolarHBondContact OG1-NE2 2.74Å; T399-V408 WeakPolarHBondContact O-CA 3.38Å; T399-V409 PolarHBondContact N-O 2.97Å; T399-V409 PolarHBondContact O-N 3.25Å; T399-W411 PolarHBondContact OG1-NE1 2.85Å
400	T	98.6	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.5	170.5	69	0	0	0	0	110	C386 N387 V408 V429 L432 T443	C386-T400 PolarHBondContact N-O 2.83Å; N387-T400 WeakPolarHBondContact CB-OG1 2.94Å; N387-T400 PolarHBondContact N-OG1 3.39Å; N387-T400 VanDerWaalsContact N-OG1 3.09Å; N387-T400 PolarHBondContact O-N 2.94Å; T400-V408 HydrophobicContact CG2-CG1 4.27Å; T400-V408 HydrophobicContact CG2-CG2 4.28Å; T400-V429 WeakPolarHBondContact CB-O 3.18Å; T400-V429 HydrophobicContact CG2-CB 4.46Å; T400-V429 HydrophobicContact CG2-CG1 3.7Å; T400-V429 PolarHBondContact OG1-O 2.78Å; T400-L432 HydrophobicContact CG2-CB 4Å; T400-L432 HydrophobicContact CG2-CD1 3.9Å; T400-L432 HydrophobicContact CG2-CD2 4.01Å; T400-L432 HydrophobicContact CG2-CG 4.18Å; T400-T443 HydrophobicContact CG2-CG2 4.05Å
401	H	98.5	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.2	-170.2	-63.7	-84.8	0	0	0	112.7	Q384 T399 N406 Q407 V429	Q384-H401 CarbonylContact O-C 3.56Å; Q384-H401 WeakPolarHBondContact O-CA 3.48Å; T399-H401 PolarHBondContact OG1-CE1 3.36Å; T399-H401 PolarHBondContact OG1-NE2 2.74Å; H401-N406 WeakPolarHBondContact O-CA 3.47Å; H401-Q407 HydrophobicContact CB-CG 4.2Å; H401-Q407 WeakPolarHBondContact CB-O 3.44Å; H401-Q407 PolarHBondContact CD2-O 3.43Å; H401-Q407 PolarHBondContact N-O 3.5Å; H401-V429 PolarHBondContact O-N 3.39Å
402	G	96.6	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.			trans	-101.8	-129	170.9	0	0	0	0	0	111	S383 Q384 C386 S404 Q405 N406	S383-G402 PolarHBondContact OG-O 3.31Å; Q384-G402 PolarHBondContact O-N 3.47Å; C386-G402 PolarHBondContact SG-N 3.15Å; G402-S404 PolarHBondContact O-N 3.21Å; G402-Q405 PolarHBondContact O-N 2.76Å; G402-N406 PolarHBondContact O-N 3.02Å; G402-N406 PolarHBondContact O-OD1 3.1Å
403	Y	91.1	Very high	95.3	Very high	133 Å²	133	30.4 Å²	30.4	52%	0.522	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	131	-178.9	-60.9	-59.2	0	0	0	111.7	S383 Q384 R428	S383-Y403 CarbonylContact C-O 3.57Å; S383-Y403 WeakPolarHBondContact CA-O 3.28Å; S383-Y403 WeakPolarHBondContact CB-O 3.43Å; S383-Y403 PolarHBondContact OG-O 3.12Å; Q384-Y403 PolarHBondContact N-O 3.46Å; Y403-R428 HydrophobicContact CD1-CG 4.33Å; Y403-R428 HydrophobicContact CE1-CG 4.17Å; Y403-R428 HydrophobicContact CE2-CG 4.48Å
404	S	91.4	Very high	95.5	Very high	103 Å²	103	31.4 Å²	31.4	72%	0.72	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	cis	-108.2	12.7	0.1	55.3	0	0	0	0	114.1	S383 G402	S383-S404 PolarHBondContact OG-N 2.83Å; G402-S404 PolarHBondContact O-N 3.21Å
405	Q	92	Very high	95.6	Very high	69 Å²	69	35.2 Å²	35.2	32%	0.322	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-25	-165.8	-66.2	173.9	-10.5	0	0	114.4	G402 Q407	G402-Q405 PolarHBondContact O-N 2.76Å; Q405-Q407 HydrophobicContact CB-CB 4.5Å; Q405-Q407 HydrophobicContact CB-CG 3.8Å; Q405-Q407 PolarHBondContact O-N 3.19Å
406	N	96.4	Very high	95.6	Very high	34 Å²	34	32.8 Å²	32.8	18%	0.182	16%	0.16	C	C	.	.			trans	47.7	37.1	179.4	-61.6	-11.4	0	0	0	114	H401 G402 S426 S427 R428 V429	H401-N406 WeakPolarHBondContact O-CA 3.47Å; G402-N406 PolarHBondContact O-N 3.02Å; G402-N406 PolarHBondContact O-OD1 3.1Å; N406-S426 PolarHBondContact ND2-O 3.26Å; N406-S426 VanDerWaalsContact ND2-O 3.08Å; N406-S427 WeakPolarHBondContact CB-O 3.28Å; N406-S427 VanDerWaalsContact CG-C 3.46Å; N406-S427 VanDerWaalsContact CG-O 3.27Å; N406-R428 WeakPolarHBondContact OD1-CA 3.13Å; N406-V429 WeakPolarHBondContact O-CG2 3.38Å
407	Q	96.7	Very high	95.5	Very high	19 Å²	19	36.8 Å²	36.8	9%	0.089	18%	0.179	C	C	.	.			trans	-115.6	164.5	-171.9	68.2	177.4	-0.7	0	0	112.3	H401 Q405 V409 L423	H401-Q407 HydrophobicContact CB-CG 4.2Å; H401-Q407 WeakPolarHBondContact CB-O 3.44Å; H401-Q407 PolarHBondContact CD2-O 3.43Å; H401-Q407 PolarHBondContact N-O 3.5Å; Q405-Q407 HydrophobicContact CB-CB 4.5Å; Q405-Q407 HydrophobicContact CB-CG 3.8Å; Q405-Q407 PolarHBondContact O-N 3.19Å; Q407-V409 HydrophobicContact CG-CG2 3.81Å; Q407-L423 HydrophobicContact CB-CD2 3.68Å
408	V	98	Very high	95.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.9	167	-171.1	0	0	0	0	107.7	V398 T399 T400 K421 L422 V429 I441 T443	V398-V408 HydrophobicContact CG1-CG1 3.53Å; T399-V408 WeakPolarHBondContact O-CA 3.38Å; T400-V408 HydrophobicContact CG2-CG1 4.27Å; T400-V408 HydrophobicContact CG2-CG2 4.28Å; V408-K421 CarbonylContact O-C 3.59Å; V408-K421 WeakPolarHBondContact O-CA 3.26Å; V408-L422 HydrophobicContact CB-CB 4.06Å; V408-L422 HydrophobicContact CB-CD1 4.27Å; V408-L422 HydrophobicContact CB-CG 4.4Å; V408-L422 HydrophobicContact CG1-CD1 4.31Å; V408-L422 PolarHBondContact N-O 2.87Å; V408-L422 PolarHBondContact O-N 3.36Å; V408-V429 HydrophobicContact CG2-CG1 4.3Å; V408-I441 HydrophobicContact CG1-CD1 3.93Å; V408-T443 HydrophobicContact CG2-CG2 3.79Å
409	V	97.5	Very high	94.9	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130	179.6	-172.5	0	0	0	0	109.8	V398 T399 Q407 W411 P418 A420 K421	V398-V409 CarbonylContact C-O 3.53Å; V398-V409 WeakPolarHBondContact CA-O 3.11Å; T399-V409 PolarHBondContact N-O 2.97Å; T399-V409 PolarHBondContact O-N 3.25Å; Q407-V409 HydrophobicContact CG-CG2 3.81Å; V409-W411 HydrophobicContact CB-CZ2 3.97Å; V409-W411 HydrophobicContact CG1-CD2 3.9Å; V409-W411 HydrophobicContact CG1-CE3 4.46Å; V409-W411 HydrophobicContact CG1-CG 4.37Å; V409-W411 HydrophobicContact CG1-CH2 4.18Å; V409-W411 HydrophobicContact CG1-CZ2 3.56Å; V409-W411 HydrophobicContact CG2-CZ2 4.46Å; V409-P418 HydrophobicContact CG1-CB 3.79Å; V409-A420 WeakPolarHBondContact CA-O 3.47Å; V409-K421 HydrophobicContact CG2-CG 4.32Å
410	V	96.7	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.4	171.9	-169.9	0	0	0	0	107.6	I152 L397 V398 P418 I419 A420 V455	I152-V410 HydrophobicContact CD1-CB 4.34Å; I152-V410 HydrophobicContact CD1-CG1 4.17Å; I152-V410 HydrophobicContact CD1-CG2 4.21Å; L397-V410 CarbonylContact O-C 3.55Å; V398-V410 HydrophobicContact CG2-CG1 4.41Å; V398-V410 HydrophobicContact CG2-CG2 4.23Å; V410-P418 CarbonylContact O-C 3.52Å; V410-P418 WeakPolarHBondContact O-CA 3.44Å; V410-I419 HydrophobicContact CB-CB 4.42Å; V410-I419 HydrophobicContact CG1-CB 4.44Å; V410-I419 HydrophobicContact CG1-CD1 4.29Å; V410-I419 PolarHBondContact O-N 2.68Å; V410-A420 HydrophobicContact CB-CB 4.4Å; V410-A420 HydrophobicContact CG2-CB 4.23Å; V410-A420 PolarHBondContact N-O 2.93Å; V410-V455 HydrophobicContact CG1-CG1 4.07Å; V410-V455 HydrophobicContact CG2-CG1 3.63Å
411	W	96	Very high	94.5	Very high	14 Å²	14	45.2 Å²	45.2	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.6	-176.5	-54.9	87.8	0	0	0	111.2	M379 T381 E396 L397 T399 V409 L416 E417 P418	M379-W411 HydrophobicContact CG-CZ3 4.34Å; T381-W411 HydrophobicContact CG2-CH2 4.32Å; T381-W411 HydrophobicContact CG2-CZ2 3.93Å; E396-W411 VanDerWaalsContact CA-O 3.25Å; E396-W411 WeakPolarHBondContact CA-O 3.45Å; E396-W411 WeakPolarHBondContact CB-O 3.33Å; L397-W411 HydrophobicContact CB-CB 4.34Å; L397-W411 PolarHBondContact N-O 2.96Å; L397-W411 PolarHBondContact O-N 3.5Å; T399-W411 PolarHBondContact OG1-NE1 2.85Å; V409-W411 HydrophobicContact CB-CZ2 3.97Å; V409-W411 HydrophobicContact CG1-CD2 3.9Å; V409-W411 HydrophobicContact CG1-CE3 4.46Å; V409-W411 HydrophobicContact CG1-CG 4.37Å; V409-W411 HydrophobicContact CG1-CH2 4.18Å; V409-W411 HydrophobicContact CG1-CZ2 3.56Å; V409-W411 HydrophobicContact CG2-CZ2 4.46Å; W411-L416 VanDerWaalsContact CE3-O 3.29Å; W411-L416 WeakPolarHBondContact CZ3-O 3.47Å; W411-E417 WeakPolarHBondContact CA-O 3.33Å; W411-P418 HydrophobicContact CE3-CB 4.17Å; W411-P418 HydrophobicContact CZ3-CB 4.08Å; W411-P418 HydrophobicContact CZ3-CG 4.28Å
412	R	94.1	Very high	94.3	Very high	118 Å²	118	45.2 Å²	45.2	45%	0.445	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.6	166.1	-173.5	172.2	-69.3	157.7	0.1	109.6	L416 E417 I419	R412-L416 WeakPolarHBondContact O-CA 3.35Å; R412-L416 PolarHBondContact O-N 3.16Å; R412-E417 PolarHBondContact N-O 3.19Å; R412-E417 PolarHBondContact O-N 3.44Å; R412-I419 HydrophobicContact CB-CD1 3.83Å; R412-I419 HydrophobicContact CB-CG1 3.87Å
413	Y	95	Very high	94.3	Very high	13 Å²	13	50.4 Å²	50.4	5%	0.051	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	138.3	171.2	179.9	-92.9	0	0	0	109.5	L353 V367 W390 S395 L416	L353-Y413 HydrophobicContact CD2-CE1 3.72Å; L353-Y413 HydrophobicContact CD2-CE2 4.33Å; L353-Y413 WeakPolarHBondContact CD2-OH 3.5Å; V367-Y413 HydrophobicContact CB-CE2 4.46Å; V367-Y413 HydrophobicContact CG1-CE2 3.96Å; V367-Y413 HydrophobicContact CG2-CE2 4.18Å; W390-Y413 AromaticContact CH2-CD1 3.88Å; W390-Y413 HydrophobicContact CH2-CD1 3.88Å; W390-Y413 AromaticContact CH2-CD2 3.64Å; W390-Y413 HydrophobicContact CH2-CD2 3.64Å; W390-Y413 HydrophobicContact CH2-CE1 4.27Å; W390-Y413 HydrophobicContact CH2-CE2 4.07Å; W390-Y413 AromaticContact CH2-CG 3.56Å; W390-Y413 HydrophobicContact CH2-CG 3.56Å; W390-Y413 AromaticContact CZ3-CD1 3.92Å; W390-Y413 HydrophobicContact CZ3-CD1 3.92Å; W390-Y413 HydrophobicContact CZ3-CD2 4.24Å; W390-Y413 AromaticContact CZ3-CG 3.7Å; W390-Y413 HydrophobicContact CZ3-CG 3.7Å; S395-Y413 WeakPolarHBondContact O-CB 3.36Å; S395-Y413 PolarHBondContact O-N 2.87Å; Y413-L416 HydrophobicContact CD2-CD2 4.04Å
414	P	94.9	Very high	94.4	Very high	58 Å²	58	46 Å²	46	38%	0.377	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.2	-5.9	17	34.8	-37.7	0	0	0	117.7	L416	P414-L416 VanDerWaalsContact C-N 3.31Å; P414-L416 PolarHBondContact O-N 2.87Å
415	Q	92.8	Very high	94.7	Very high	98 Å²	98	41.8 Å²	41.8	46%	0.458	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.8	-172.9	-69.4	71.9	21.1	0	0	113.3	E417	Q415-E417 VanDerWaalsContact C-N 3.33Å; Q415-E417 HydrophobicContact CB-CG 3.92Å
416	L	93.6	Very high	94.9	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	44.5	-167.5	-60.3	-178	0	0	0	112.2	L365 V367 K377 M379 W411 R412 Y413 P414	L365-L416 HydrophobicContact CD2-CD1 4.01Å; L365-L416 HydrophobicContact CD2-CD2 3.74Å; L365-L416 HydrophobicContact CD2-CG 4.43Å; L365-L416 HydrophobicContact CG-CD1 4.39Å; V367-L416 HydrophobicContact CG2-CD1 4.38Å; K377-L416 HydrophobicContact CB-CD1 4.12Å; K377-L416 HydrophobicContact CG-CD1 3.44Å; K377-L416 VanDerWaalsContact CG-CD1 3.44Å; K377-L416 HydrophobicContact CG-CG 4.08Å; M379-L416 HydrophobicContact CB-CB 4.31Å; M379-L416 HydrophobicContact CB-CD1 3.85Å; M379-L416 HydrophobicContact CG-CB 4.45Å; W411-L416 VanDerWaalsContact CE3-O 3.29Å; W411-L416 WeakPolarHBondContact CZ3-O 3.47Å; R412-L416 WeakPolarHBondContact O-CA 3.35Å; R412-L416 PolarHBondContact O-N 3.16Å; Y413-L416 HydrophobicContact CD2-CD2 4.04Å; P414-L416 VanDerWaalsContact C-N 3.31Å; P414-L416 PolarHBondContact O-N 2.87Å
417	E	91.5	Very high	94.9	Very high	106 Å²	106	42.7 Å²	42.7	50%	0.495	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133	171.4	-72.8	173	176.9	0	0	109.7	W411 R412 Q415 I419	W411-E417 WeakPolarHBondContact CA-O 3.33Å; R412-E417 PolarHBondContact N-O 3.19Å; R412-E417 PolarHBondContact O-N 3.44Å; Q415-E417 VanDerWaalsContact C-N 3.33Å; Q415-E417 HydrophobicContact CB-CG 3.92Å; E417-I419 PolarHBondContact O-N 2.56Å
418	P	92.6	Very high	95	Very high	56 Å²	56	43.1 Å²	43.1	36%	0.364	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.2	175.7	29.3	-32.8	0	0	0	109.8	V409 V410 W411	V409-P418 HydrophobicContact CG1-CB 3.79Å; V410-P418 CarbonylContact O-C 3.52Å; V410-P418 WeakPolarHBondContact O-CA 3.44Å; W411-P418 HydrophobicContact CE3-CB 4.17Å; W411-P418 HydrophobicContact CZ3-CB 4.08Å; W411-P418 HydrophobicContact CZ3-CG 4.28Å
419	I	91.4	Very high	95	Very high	40 Å²	40	43.1 Å²	43.1	21%	0.205	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-43.1	175.6	-56.7	175.1	0	0	0	110	I152 E396 V410 R412 E417	I152-I419 HydrophobicContact CD1-CG2 3.95Å; E396-I419 HydrophobicContact CG-CD1 3.9Å; E396-I419 WeakPolarHBondContact OE1-CD1 3.42Å; V410-I419 HydrophobicContact CB-CB 4.42Å; V410-I419 HydrophobicContact CG1-CB 4.44Å; V410-I419 HydrophobicContact CG1-CD1 4.29Å; V410-I419 PolarHBondContact O-N 2.68Å; R412-I419 HydrophobicContact CB-CD1 3.83Å; R412-I419 HydrophobicContact CB-CG1 3.87Å; E417-I419 PolarHBondContact O-N 2.56Å
420	A	92.4	Very high	95.1	Very high	8 Å²	8	43 Å²	43	7%	0.066	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146.1	-179.1	0	0	0	0	0	110.4	I152 V409 V410 L422	I152-A420 HydrophobicContact CB-CB 4.26Å; I152-A420 HydrophobicContact CD1-CB 3.93Å; I152-A420 HydrophobicContact CG2-CB 4.4Å; V409-A420 WeakPolarHBondContact CA-O 3.47Å; V410-A420 HydrophobicContact CB-CB 4.4Å; V410-A420 HydrophobicContact CG2-CB 4.23Å; V410-A420 PolarHBondContact N-O 2.93Å; A420-L422 HydrophobicContact CB-CD2 4.4Å
421	K	94.6	Very high	95.2	Very high	72 Å²	72	43.1 Å²	43.1	31%	0.313	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	167.7	-62.7	169.2	-171	145.3	0	107	E73 V408 V409	E73-K421 IonicContact OE1-NZ 3.5Å; E73-K421 IonicContact OE2-NZ 3.58Å; E73-K421 PolarHBondContact OE2-NZ 3.11Å; V408-K421 CarbonylContact O-C 3.59Å; V408-K421 WeakPolarHBondContact O-CA 3.26Å; V409-K421 HydrophobicContact CG2-CG 4.32Å
422	L	95.9	Very high	95.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.7	176.5	-42.6	174.2	0	0	0	107.7	I152 V408 A420 W453 V455	I152-L422 HydrophobicContact CG2-CD2 4.06Å; V408-L422 HydrophobicContact CB-CB 4.06Å; V408-L422 HydrophobicContact CB-CD1 4.27Å; V408-L422 HydrophobicContact CB-CG 4.4Å; V408-L422 HydrophobicContact CG1-CD1 4.31Å; V408-L422 PolarHBondContact N-O 2.87Å; V408-L422 PolarHBondContact O-N 3.36Å; A420-L422 HydrophobicContact CB-CD2 4.4Å; L422-W453 HydrophobicContact CB-CD2 4.47Å; L422-W453 HydrophobicContact CB-CE3 4.07Å; L422-W453 HydrophobicContact CB-CH2 4.25Å; L422-W453 HydrophobicContact CB-CZ3 3.95Å; L422-W453 HydrophobicContact CD1-CB 4.06Å; L422-W453 HydrophobicContact CD1-CD2 3.93Å; L422-W453 HydrophobicContact CD1-CE3 3.9Å; L422-W453 HydrophobicContact CD1-CG 4.02Å; L422-W453 HydrophobicContact CG-CE3 4.4Å; L422-V455 HydrophobicContact CD1-CG2 3.96Å
423	L	95.7	Very high	95.5	Very high	109 Å²	109	37.7 Å²	37.7	57%	0.571	21%	0.213	S	C	*	.			trans	-110.1	152.5	-177.8	-61.4	176.5	0	0	0	109.6	Q407	Q407-L423 HydrophobicContact CB-CD2 3.68Å
424	G	92.9	Very high	95.6	Very high	40 Å²	40	38.1 Å²	38.1	41%	0.412	22%	0.216	S	C	.	.			trans	154.6	-28.8	164.5	0	0	0	0	0	114.8	R451	G424-R451 VanDerWaalsContact C-NH2 3.34Å; G424-R451 PolarHBondContact O-NH1 3.16Å; G424-R451 PolarHBondContact O-NH2 2.92Å
425	H	97.6	Very high	95.8	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.065	20%	0.2	C	C	.	.			trans	-65.3	134.2	174.7	-79.3	-69	0	0	0	110.1	V429 T443 A445 D447 T449 R451	H425-V429 HydrophobicContact CB-CG2 3.81Å; H425-T443 PolarHBondContact NE2-O 2.67Å; H425-T443 PolarHBondContact NE2-OG1 2.72Å; H425-A445 HydrophobicContact CB-CB 4.14Å; H425-A445 WeakPolarHBondContact ND1-CB 3.37Å; H425-D447 WeakPolarHBondContact CA-OD2 3.41Å; H425-D447 IonicContact CE1-OD1 3.42Å; H425-D447 IonicContact CG-OD2 3.7Å; H425-D447 VanDerWaalsContact ND1-CG 3.35Å; H425-D447 IonicContact ND1-OD1 3.73Å; H425-D447 PolarHBondContact ND1-OD1 3.06Å; H425-D447 IonicContact ND1-OD2 3.94Å; H425-D447 PolarHBondContact ND1-OD2 3.36Å; H425-T449 PolarHBondContact CE1-O 2.97Å; H425-T449 PolarHBondContact CE1-OG1 3.41Å; H425-T449 VanDerWaalsContact CE1-OG1 3.24Å; H425-T449 PolarHBondContact ND1-OG1 3.36Å; H425-R451 PolarHBondContact ND1-NE 3.48Å
426	S	96.4	Very high	95.9	Very high	90 Å²	90	33.7 Å²	33.7	63%	0.629	20%	0.196	S	C	*	.	S	Bend	trans	-85.2	-19.1	177.3	53.1	0	0	0	0	112.6	N406 D447	N406-S426 PolarHBondContact ND2-O 3.26Å; N406-S426 VanDerWaalsContact ND2-O 3.08Å; S426-D447 PolarHBondContact N-OD2 2.96Å; S426-D447 VanDerWaalsContact N-OD2 3.14Å; S426-D447 WeakPolarHBondContact OG-CB 2.84Å
427	S	97.4	Very high	96	Very high	32 Å²	32	37.5 Å²	37.5	22%	0.224	22%	0.216	C	C	.	.	S	Bend	trans	-113.8	174.5	177	-64	0	0	0	0	111.5	N406 V429 G446	N406-S427 WeakPolarHBondContact CB-O 3.28Å; N406-S427 VanDerWaalsContact CG-C 3.46Å; N406-S427 VanDerWaalsContact CG-O 3.27Å; S427-V429 PolarHBondContact O-N 3.23Å; S427-G446 PolarHBondContact OG-O 3.26Å
428	R	98	Very high	96.2	Very high	29 Å²	29	32.5 Å²	32.5	11%	0.109	19%	0.194	C	C	.	.			trans	-58.7	136.2	179.3	-62.1	177.9	-71.1	170.7	-3.1	110.7	D167 Y403 N406 L430 A445	D167-R428 PolarHBondContact O-NH2 2.95Å; D167-R428 IonicContact OD1-CZ 3.2Å; D167-R428 IonicContact OD1-NE 3.32Å; D167-R428 PolarHBondContact OD1-NE 3.31Å; D167-R428 IonicContact OD1-NH2 3.16Å; D167-R428 PolarHBondContact OD1-NH2 2.81Å; D167-R428 VanDerWaalsContact OD1-NH2 3.14Å; D167-R428 IonicContact OD2-CZ 3.26Å; D167-R428 IonicContact OD2-NE 2.65Å; D167-R428 PolarHBondContact OD2-NE 3Å; D167-R428 IonicContact OD2-NH2 2.76Å; D167-R428 PolarHBondContact OD2-NH2 3.45Å; Y403-R428 HydrophobicContact CD1-CG 4.33Å; Y403-R428 HydrophobicContact CE1-CG 4.17Å; Y403-R428 HydrophobicContact CE2-CG 4.48Å; N406-R428 WeakPolarHBondContact OD1-CA 3.13Å; R428-L430 HydrophobicContact CB-CD2 3.7Å; R428-L430 HydrophobicContact CB-CG 3.96Å; R428-L430 PolarHBondContact O-N 3.23Å; R428-A445 WeakPolarHBondContact O-CA 3.4Å; R428-A445 WeakPolarHBondContact O-CB 3.23Å
429	V	98.5	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.			trans	-84.6	83.1	179.7	-169.8	0	0	0	0	109.8	C386 T400 H401 N406 V408 H425 S427 T443	C386-V429 WeakPolarHBondContact CB-O 3.36Å; T400-V429 WeakPolarHBondContact CB-O 3.18Å; T400-V429 HydrophobicContact CG2-CB 4.46Å; T400-V429 HydrophobicContact CG2-CG1 3.7Å; T400-V429 PolarHBondContact OG1-O 2.78Å; H401-V429 PolarHBondContact O-N 3.39Å; N406-V429 WeakPolarHBondContact O-CG2 3.38Å; V408-V429 HydrophobicContact CG2-CG1 4.3Å; H425-V429 HydrophobicContact CB-CG2 3.81Å; S427-V429 PolarHBondContact O-N 3.23Å; V429-T443 HydrophobicContact CG1-CG2 4.03Å
430	L	98.4	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.			trans	-86.7	-14.6	-169.5	-65	-170	0	0	0	115.1	D167 F169 C386 N387 R428 G444	D167-L430 WeakPolarHBondContact OD1-CD1 3.4Å; F169-L430 HydrophobicContact CB-CD2 4.49Å; F169-L430 HydrophobicContact CD2-CD2 4.23Å; C386-L430 HydrophobicContact CB-CD2 4.28Å; N387-L430 PolarHBondContact ND2-O 3.36Å; R428-L430 HydrophobicContact CB-CD2 3.7Å; R428-L430 HydrophobicContact CB-CG 3.96Å; R428-L430 PolarHBondContact O-N 3.23Å; L430-G444 PolarHBondContact N-O 2.88Å; L430-G444 VanDerWaalsContact N-O 3.08Å
431	Y	98.6	Very high	96.9	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.6	-176	-49.1	-64.6	0	0	0	111.2	L165 Q166 L171 L173 V174 N387 T443 G444	L165-Y431 HydrophobicContact CD1-CD2 3.88Å; L165-Y431 HydrophobicContact CD1-CE2 3.6Å; L165-Y431 HydrophobicContact CD2-CD2 3.79Å; L165-Y431 HydrophobicContact CD2-CE2 3.97Å; L165-Y431 HydrophobicContact CG-CD2 3.94Å; L165-Y431 HydrophobicContact CG-CE2 3.6Å; Q166-Y431 WeakPolarHBondContact O-CE2 3.36Å; Q166-Y431 PolarHBondContact O-OH 2.91Å; L171-Y431 HydrophobicContact CB-CE1 4.47Å; L171-Y431 WeakPolarHBondContact O-CE1 3.22Å; L173-Y431 HydrophobicContact CB-CD1 4.08Å; L173-Y431 HydrophobicContact CB-CE1 3.76Å; L173-Y431 HydrophobicContact CD1-CE1 4.14Å; L173-Y431 WeakPolarHBondContact CD1-OH 3.15Å; L173-Y431 HydrophobicContact CG-CE1 3.74Å; V174-Y431 HydrophobicContact CG2-CD2 4.43Å; V174-Y431 HydrophobicContact CG2-CG 3.94Å; N387-Y431 PolarHBondContact ND2-N 3.07Å; Y431-T443 VanDerWaalsContact O-CA 3.3Å; Y431-T443 WeakPolarHBondContact O-CA 3.48Å; Y431-G444 PolarHBondContact N-O 3.16Å; Y431-G444 PolarHBondContact O-N 3.36Å
432	L	98.6	Very high	97.1	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.089	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	131.5	-176.7	177.1	68.5	0	0	0	109.8	N387 L389 V398 T400 I441 V442 T443	N387-L432 HydrophobicContact CB-CB 3.58Å; N387-L432 HydrophobicContact CB-CD2 3.81Å; N387-L432 HydrophobicContact CB-CG 4.36Å; L389-L432 HydrophobicContact CB-CD2 3.72Å; L389-L432 HydrophobicContact CB-CG 4.45Å; L389-L432 HydrophobicContact CD1-CD2 4.31Å; L389-L432 HydrophobicContact CD1-CG 4.2Å; V398-L432 HydrophobicContact CG1-CD1 4.38Å; V398-L432 HydrophobicContact CG1-CD2 4.37Å; T400-L432 HydrophobicContact CG2-CB 4Å; T400-L432 HydrophobicContact CG2-CD1 3.9Å; T400-L432 HydrophobicContact CG2-CD2 4.01Å; T400-L432 HydrophobicContact CG2-CG 4.18Å; L432-I441 HydrophobicContact CD1-CB 4.11Å; L432-I441 HydrophobicContact CD1-CD1 4.14Å; L432-V442 WeakPolarHBondContact CA-O 3.3Å; L432-T443 HydrophobicContact CD1-CG2 3.86Å
433	A	98.5	Very high	97.2	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.5	166.7	0	0	0	0	0	110.7	V174 W176 I441 V442	V174-A433 HydrophobicContact CG1-CB 4.27Å; W176-A433 HydrophobicContact CB-CB 3.94Å; A433-I441 CarbonylContact O-C 3.54Å; A433-I441 VanDerWaalsContact O-CA 3.31Å; A433-I441 WeakPolarHBondContact O-CA 3.31Å; A433-V442 HydrophobicContact CB-CG1 3.76Å; A433-V442 PolarHBondContact N-O 3.31Å; A433-V442 PolarHBondContact O-N 3.42Å
434	M	98.1	Very high	97.4	Very high	22 Å²	22	20.9 Å²	20.9	11%	0.108	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.3	179.4	176	-178.7	-87.7	0	0	110.1	W176 L389 M392 F456	W176-M434 WeakPolarHBondContact CB-O 3.25Å; L389-M434 HydrophobicContact CD1-CB 3.73Å; L389-M434 HydrophobicContact CD2-CB 3.56Å; L389-M434 HydrophobicContact CD2-CE 3.28Å; L389-M434 HydrophobicContact CD2-CG 4.12Å; L389-M434 HydrophobicContact CD2-SD 3.55Å; L389-M434 VanDerWaalsContact CD2-SD 3.55Å; L389-M434 HydrophobicContact CG-CB 4.32Å; M392-M434 HydrophobicContact CG-SD 3.66Å; M434-F456 HydrophobicContact CE-CD2 3.77Å; M434-F456 HydrophobicContact CE-CE2 3.31Å; M434-F456 HydrophobicContact CE-CZ 4.19Å
435	S	97.7	Very high	97.6	Very high	5 Å²	5	19 Å²	19	4%	0.035	11%	0.112	C	C	.	.			trans	-62.3	152.6	174.3	57.4	0	0	0	0	111.5	D437 G438 E439 S440	S435-D437 VanDerWaalsContact CB-OD1 3.29Å; S435-D437 WeakPolarHBondContact CB-OD1 3.46Å; S435-D437 PolarHBondContact O-N 3.44Å; S435-D437 PolarHBondContact OG-OD1 2.95Å; S435-G438 WeakPolarHBondContact O-CA 3.46Å; S435-G438 PolarHBondContact O-N 2.85Å; S435-E439 PolarHBondContact OG-N 2.86Å; S435-S440 PolarHBondContact N-O 2.65Å; S435-S440 WeakPolarHBondContact OG-CA 3.39Å; S435-S440 WeakPolarHBondContact OG-CB 3.2Å; S435-S440 PolarHBondContact OG-N 2.86Å; S435-S440 PolarHBondContact OG-O 2.92Å
436	P	96.7	Very high	97.6	Very high	58 Å²	58	19.4 Å²	19.4	38%	0.377	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	-177.5	26.7	-37.8	0	0	0	113.9	K178 N180 G438	K178-P436 WeakPolarHBondContact O-CB 3.38Å; N180-P436 HydrophobicContact CB-CG 3.86Å; P436-G438 VanDerWaalsContact C-N 3.26Å
437	D	95.5	Very high	97.6	Very high	83 Å²	83	16.4 Å²	16.4	44%	0.444	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.8	173.1	66.9	4.1	0	0	0	113.1	H393 S435 E439	H393-D437 PolarHBondContact CE1-O 3.22Å; H393-D437 PolarHBondContact NE2-O 3.34Å; S435-D437 VanDerWaalsContact CB-OD1 3.29Å; S435-D437 WeakPolarHBondContact CB-OD1 3.46Å; S435-D437 PolarHBondContact O-N 3.44Å; S435-D437 PolarHBondContact OG-OD1 2.95Å; D437-E439 PolarHBondContact O-N 3.09Å; D437-E439 PolarHBondContact OD1-N 3.15Å
438	G	95.8	Very high	97.7	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	11%	0.108	C	C	.	.	S	Bend	trans	70.3	7.5	179.8	0	0	0	0	0	115.8	H393 S435 P436 F456	H393-G438 PolarHBondContact CD2-O 3.09Å; S435-G438 WeakPolarHBondContact O-CA 3.46Å; S435-G438 PolarHBondContact O-N 2.85Å; P436-G438 VanDerWaalsContact C-N 3.26Å; G438-F456 WeakPolarHBondContact O-CB 3.47Å; G438-F456 VanDerWaalsContact O-CD2 3.3Å; G438-F456 WeakPolarHBondContact O-CD2 2.99Å
439	E	95.3	Very high	97.7	Very high	32 Å²	32	19.2 Å²	19.2	15%	0.15	11%	0.109	C	C	.	.	S	Bend	trans	-91.6	-31.9	-176	-61.7	-159.5	157.4	0	0	113.4	S435 D437 R454 V455 F456 K458	S435-E439 PolarHBondContact OG-N 2.86Å; D437-E439 PolarHBondContact O-N 3.09Å; D437-E439 PolarHBondContact OD1-N 3.15Å; E439-R454 IonicContact OE2-CZ 3.14Å; E439-R454 IonicContact OE2-NE 2.78Å; E439-R454 IonicContact OE2-NH2 3.59Å; E439-R454 PolarHBondContact OE2-NH2 3.23Å; E439-V455 PolarHBondContact O-N 3.45Å; E439-F456 PolarHBondContact O-N 3.11Å; E439-K458 VanDerWaalsContact OE1-CB 3.29Å; E439-K458 WeakPolarHBondContact OE1-CB 3.22Å; E439-K458 PolarHBondContact OE1-N 3.22Å
440	S	97	Very high	97.7	Very high	10 Å²	10	19.5 Å²	19.5	7%	0.07	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.4	-174.9	-56.3	0	0	0	0	111.7	Y157 S435 W453	Y157-S440 PolarHBondContact OH-OG 2.69Å; S435-S440 PolarHBondContact N-O 2.65Å; S435-S440 WeakPolarHBondContact OG-CA 3.39Å; S435-S440 WeakPolarHBondContact OG-CB 3.2Å; S435-S440 PolarHBondContact OG-N 2.86Å; S435-S440 PolarHBondContact OG-O 2.92Å; S440-W453 CarbonylContact C-O 3.53Å; S440-W453 WeakPolarHBondContact CA-O 3.42Å; S440-W453 WeakPolarHBondContact CB-O 3.47Å
441	I	98.2	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.8	168	63.5	173.2	0	0	0	108.9	V398 V408 L432 A433 T443 F452 W453 V455 F456	V398-I441 HydrophobicContact CG1-CD1 3.81Å; V398-I441 HydrophobicContact CG2-CD1 4.43Å; V408-I441 HydrophobicContact CG1-CD1 3.93Å; L432-I441 HydrophobicContact CD1-CB 4.11Å; L432-I441 HydrophobicContact CD1-CD1 4.14Å; A433-I441 CarbonylContact O-C 3.54Å; A433-I441 VanDerWaalsContact O-CA 3.31Å; A433-I441 WeakPolarHBondContact O-CA 3.31Å; I441-T443 HydrophobicContact CD1-CG2 4.44Å; I441-F452 WeakPolarHBondContact O-CA 3.34Å; I441-W453 HydrophobicContact CD1-CB 4.38Å; I441-W453 HydrophobicContact CG1-CB 3.8Å; I441-W453 HydrophobicContact CG1-CG 4.25Å; I441-W453 PolarHBondContact N-O 2.89Å; I441-W453 PolarHBondContact O-N 3.33Å; I441-V455 HydrophobicContact CD1-CG2 3.67Å; I441-V455 HydrophobicContact CG1-CG2 3.7Å; I441-F456 HydrophobicContact CG2-CE2 4.17Å
442	V	98.6	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.1	168	62.5	0	0	0	0	108.8	V174 W176 L182 L432 A433 L450 R451 F452	V174-V442 HydrophobicContact CG1-CG1 4.05Å; W176-V442 HydrophobicContact CE3-CB 4.13Å; W176-V442 HydrophobicContact CE3-CG1 3.73Å; W176-V442 HydrophobicContact CZ3-CB 4.03Å; W176-V442 HydrophobicContact CZ3-CG1 4.16Å; L182-V442 HydrophobicContact CD1-CG1 3.75Å; L182-V442 HydrophobicContact CD2-CG2 4.28Å; L432-V442 WeakPolarHBondContact CA-O 3.3Å; A433-V442 HydrophobicContact CB-CG1 3.76Å; A433-V442 PolarHBondContact N-O 3.31Å; A433-V442 PolarHBondContact O-N 3.42Å; V442-L450 HydrophobicContact CG2-CB 4.14Å; V442-L450 HydrophobicContact CG2-CD2 4.34Å; V442-R451 CarbonylContact C-O 3.53Å; V442-R451 VanDerWaalsContact CA-O 3.3Å; V442-R451 WeakPolarHBondContact CA-O 3.25Å; V442-F452 HydrophobicContact CB-CD1 3.98Å; V442-F452 HydrophobicContact CB-CE1 3.91Å; V442-F452 HydrophobicContact CB-CZ 4.41Å; V442-F452 HydrophobicContact CG2-CD1 4.09Å; V442-F452 HydrophobicContact CG2-CD2 4.32Å; V442-F452 HydrophobicContact CG2-CE1 3.8Å; V442-F452 HydrophobicContact CG2-CE2 4.03Å; V442-F452 HydrophobicContact CG2-CG 4.34Å; V442-F452 HydrophobicContact CG2-CZ 3.79Å
443	T	98.7	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140	175	59	0	0	0	0	111	T400 V408 H425 V429 Y431 L432 I441 L450 R451 W453	T400-T443 HydrophobicContact CG2-CG2 4.05Å; V408-T443 HydrophobicContact CG2-CG2 3.79Å; H425-T443 PolarHBondContact NE2-O 2.67Å; H425-T443 PolarHBondContact NE2-OG1 2.72Å; V429-T443 HydrophobicContact CG1-CG2 4.03Å; Y431-T443 VanDerWaalsContact O-CA 3.3Å; Y431-T443 WeakPolarHBondContact O-CA 3.48Å; L432-T443 HydrophobicContact CD1-CG2 3.86Å; I441-T443 HydrophobicContact CD1-CG2 4.44Å; T443-L450 CarbonylContact O-C 3.55Å; T443-L450 VanDerWaalsContact O-CA 3.29Å; T443-L450 WeakPolarHBondContact O-CA 3.25Å; T443-R451 PolarHBondContact N-O 2.66Å; T443-R451 PolarHBondContact O-N 3.19Å; T443-W453 PolarHBondContact OG1-NE1 3Å
444	G	98.5	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.3	175.2	0	0	0	0	0	111.5	L430 Y431 T449	L430-G444 PolarHBondContact N-O 2.88Å; L430-G444 VanDerWaalsContact N-O 3.08Å; Y431-G444 PolarHBondContact N-O 3.16Å; Y431-G444 PolarHBondContact O-N 3.36Å; G444-T449 WeakPolarHBondContact CA-O 3.36Å
445	A	98.4	Very high	97.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	166.9	179.9	0	0	0	0	0	110.8	H425 R428 D447 E448	H425-A445 HydrophobicContact CB-CB 4.14Å; H425-A445 WeakPolarHBondContact ND1-CB 3.37Å; R428-A445 WeakPolarHBondContact O-CA 3.4Å; R428-A445 WeakPolarHBondContact O-CB 3.23Å; A445-D447 PolarHBondContact O-N 3.44Å; A445-E448 PolarHBondContact O-N 3.12Å
446	G	96.5	Very high	97	Very high	23 Å²	23	25.3 Å²	25.3	24%	0.237	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	16.1	170.4	0	0	0	0	0	114.6	S427	S427-G446 PolarHBondContact OG-O 3.26Å
447	D	97.3	Very high	96.4	Very high	26 Å²	26	25.9 Å²	25.9	14%	0.139	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11.6	166	71.3	-5.5	0	0	0	111.8	H425 S426 A445 T449 R451	H425-D447 WeakPolarHBondContact CA-OD2 3.41Å; H425-D447 IonicContact CE1-OD1 3.42Å; H425-D447 IonicContact CG-OD2 3.7Å; H425-D447 VanDerWaalsContact ND1-CG 3.35Å; H425-D447 IonicContact ND1-OD1 3.73Å; H425-D447 PolarHBondContact ND1-OD1 3.06Å; H425-D447 IonicContact ND1-OD2 3.94Å; H425-D447 PolarHBondContact ND1-OD2 3.36Å; S426-D447 PolarHBondContact N-OD2 2.96Å; S426-D447 VanDerWaalsContact N-OD2 3.14Å; S426-D447 WeakPolarHBondContact OG-CB 2.84Å; A445-D447 PolarHBondContact O-N 3.44Å; D447-T449 VanDerWaalsContact CG-OG1 3.25Å; D447-T449 PolarHBondContact O-N 3.27Å; D447-T449 PolarHBondContact OD1-N 2.87Å; D447-T449 VanDerWaalsContact OD1-N 3.16Å; D447-T449 PolarHBondContact OD1-OG1 3.07Å; D447-T449 PolarHBondContact OD2-OG1 3.1Å; D447-R451 IonicContact OD2-NH2 2.89Å; D447-R451 PolarHBondContact OD2-NH2 3.26Å
448	E	98.1	Very high	95.4	Very high	98 Å²	98	28.4 Å²	28.4	46%	0.458	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	28.5	179.5	-56.8	-172	130	0	0	113.3	A162 E164 A445	A162-E448 PolarHBondContact N-O 3.03Å; A162-E448 WeakPolarHBondContact O-CA 3.34Å; A162-E448 WeakPolarHBondContact O-CB 3.41Å; E164-E448 PolarHBondContact N-OE1 3.33Å; A445-E448 PolarHBondContact O-N 3.12Å
449	T	98.4	Very high	94	Very high	23 Å²	23	35.5 Å²	35.5	14%	0.141	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.3	175.8	70.8	0	0	0	0	112.9	I159 H425 G444 D447 R451	I159-T449 HydrophobicContact CG2-CG2 4.24Å; H425-T449 PolarHBondContact CE1-O 2.97Å; H425-T449 PolarHBondContact CE1-OG1 3.41Å; H425-T449 VanDerWaalsContact CE1-OG1 3.24Å; H425-T449 PolarHBondContact ND1-OG1 3.36Å; G444-T449 WeakPolarHBondContact CA-O 3.36Å; D447-T449 VanDerWaalsContact CG-OG1 3.25Å; D447-T449 PolarHBondContact O-N 3.27Å; D447-T449 PolarHBondContact OD1-N 2.87Å; D447-T449 VanDerWaalsContact OD1-N 3.16Å; D447-T449 PolarHBondContact OD1-OG1 3.07Å; D447-T449 PolarHBondContact OD2-OG1 3.1Å; T449-R451 PolarHBondContact OG1-NE 3.28Å; T449-R451 VanDerWaalsContact OG1-NE 3.16Å
450	L	98.6	Very high	92.3	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.8	162.6	-65.6	167.3	0	0	0	109.1	I159 L160 A162 L165 V174 L182 V184 V442 T443 F452	I159-L450 CarbonylContact C-O 3.58Å; I159-L450 VanDerWaalsContact CA-O 3.29Å; I159-L450 WeakPolarHBondContact CA-O 3.11Å; L160-L450 HydrophobicContact CB-CB 4.29Å; L160-L450 PolarHBondContact N-O 3.49Å; L160-L450 PolarHBondContact O-N 2.85Å; A162-L450 HydrophobicContact CB-CD1 4.06Å; A162-L450 HydrophobicContact CB-CG 3.84Å; L165-L450 HydrophobicContact CD2-CD2 4.35Å; V174-L450 HydrophobicContact CG2-CD2 3.96Å; L182-L450 HydrophobicContact CD2-CD1 4.2Å; V184-L450 HydrophobicContact CG1-CD1 4.14Å; V184-L450 HydrophobicContact CG2-CD1 3.66Å; V442-L450 HydrophobicContact CG2-CB 4.14Å; V442-L450 HydrophobicContact CG2-CD2 4.34Å; T443-L450 CarbonylContact O-C 3.55Å; T443-L450 VanDerWaalsContact O-CA 3.29Å; T443-L450 WeakPolarHBondContact O-CA 3.25Å; L450-F452 HydrophobicContact CB-CE2 4.38Å
451	R	98.6	Very high	90.2	Very high	35 Å²	35	51.2 Å²	51.2	13%	0.132	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.8	-176.2	-61.6	-176.3	-171.8	-153.1	11.2	110.7	P156 I159 G424 H425 V442 T443 D447 T449 W453	P156-R451 HydrophobicContact CB-CB 3.97Å; P156-R451 HydrophobicContact CG-CB 4.39Å; P156-R451 HydrophobicContact CG-CG 4.49Å; I159-R451 HydrophobicContact CG1-CG 4.26Å; I159-R451 HydrophobicContact CG2-CG 4.33Å; G424-R451 VanDerWaalsContact C-NH2 3.34Å; G424-R451 PolarHBondContact O-NH1 3.16Å; G424-R451 PolarHBondContact O-NH2 2.92Å; H425-R451 PolarHBondContact ND1-NE 3.48Å; V442-R451 CarbonylContact C-O 3.53Å; V442-R451 VanDerWaalsContact CA-O 3.3Å; V442-R451 WeakPolarHBondContact CA-O 3.25Å; T443-R451 PolarHBondContact N-O 2.66Å; T443-R451 PolarHBondContact O-N 3.19Å; D447-R451 IonicContact OD2-NH2 2.89Å; D447-R451 PolarHBondContact OD2-NH2 3.26Å; T449-R451 PolarHBondContact OG1-NE 3.28Å; T449-R451 VanDerWaalsContact OG1-NE 3.16Å; R451-W453 HydrophobicContact CB-CZ2 3.79Å; R451-W453 HydrophobicContact CG-CZ2 4.42Å; R451-W453 VanDerWaalsContact O-CD1 3.24Å; R451-W453 PolarHBondContact O-NE1 3.03Å
452	F	98.3	Very high	87.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.4	-178.5	-63.7	-101.2	0	0	0	110.6	P156 Y157 K158 L160 W176 L182 W193 I441 V442 L450	P156-F452 CarbonylContact C-O 3.55Å; P156-F452 WeakPolarHBondContact CA-O 3.45Å; P156-F452 VanDerWaalsContact CB-O 3.27Å; P156-F452 WeakPolarHBondContact CB-O 3.41Å; Y157-F452 HydrophobicContact CD1-CB 4.15Å; Y157-F452 WeakPolarHBondContact CD1-O 3.49Å; Y157-F452 HydrophobicContact CD2-CB 4.35Å; Y157-F452 HydrophobicContact CE1-CB 3.59Å; Y157-F452 HydrophobicContact CE2-CB 3.81Å; Y157-F452 PolarHBondContact N-O 3.18Å; K158-F452 HydrophobicContact CB-CB 4.05Å; K158-F452 HydrophobicContact CB-CD2 3.92Å; K158-F452 HydrophobicContact CB-CG 4.18Å; K158-F452 HydrophobicContact CG-CD2 4.14Å; K158-F452 WeakPolarHBondContact O-CD2 3.21Å; K158-F452 PolarHBondContact O-N 3.2Å; L160-F452 HydrophobicContact CB-CE2 4.43Å; L160-F452 HydrophobicContact CD1-CE2 3.6Å; L160-F452 HydrophobicContact CD1-CZ 3.78Å; L160-F452 HydrophobicContact CG-CE2 3.75Å; L160-F452 HydrophobicContact CG-CZ 4.44Å; W176-F452 AromaticContact CH2-CD1 3.65Å; W176-F452 HydrophobicContact CH2-CD1 3.65Å; W176-F452 AromaticContact CH2-CE1 3.65Å; W176-F452 HydrophobicContact CH2-CE1 3.65Å; W176-F452 HydrophobicContact CZ2-CE1 4.36Å; W176-F452 AromaticContact CZ3-CD1 3.73Å; W176-F452 HydrophobicContact CZ3-CD1 3.73Å; W176-F452 AromaticContact CZ3-CE1 3.73Å; W176-F452 HydrophobicContact CZ3-CE1 3.73Å; L182-F452 HydrophobicContact CD2-CE1 4.37Å; L182-F452 HydrophobicContact CD2-CZ 3.89Å; W193-F452 HydrophobicContact CE3-CE1 4.23Å; W193-F452 AromaticContact CE3-CZ 3.9Å; W193-F452 HydrophobicContact CE3-CZ 3.9Å; W193-F452 HydrophobicContact CH2-CE1 4.03Å; W193-F452 AromaticContact CH2-CZ 3.98Å; W193-F452 HydrophobicContact CH2-CZ 3.98Å; W193-F452 HydrophobicContact CZ3-CD1 4.47Å; W193-F452 AromaticContact CZ3-CE1 3.44Å; W193-F452 HydrophobicContact CZ3-CE1 3.44Å; W193-F452 VanDerWaalsContact CZ3-CE1 3.44Å; W193-F452 HydrophobicContact CZ3-CE2 4.48Å; W193-F452 AromaticContact CZ3-CZ 3.44Å; W193-F452 HydrophobicContact CZ3-CZ 3.44Å; W193-F452 VanDerWaalsContact CZ3-CZ 3.44Å; I441-F452 WeakPolarHBondContact O-CA 3.34Å; V442-F452 HydrophobicContact CB-CD1 3.98Å; V442-F452 HydrophobicContact CB-CE1 3.91Å; V442-F452 HydrophobicContact CB-CZ 4.41Å; V442-F452 HydrophobicContact CG2-CD1 4.09Å; V442-F452 HydrophobicContact CG2-CD2 4.32Å; V442-F452 HydrophobicContact CG2-CE1 3.8Å; V442-F452 HydrophobicContact CG2-CE2 4.03Å; V442-F452 HydrophobicContact CG2-CG 4.34Å; V442-F452 HydrophobicContact CG2-CZ 3.79Å; L450-F452 HydrophobicContact CB-CE2 4.38Å
453	W	97.7	Very high	84.8	Confident	1 Å²	1	63 Å²	63	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.5	-173.3	-47.5	87.7	0	0	0	109.7	R154 P156 L422 S440 I441 T443 R451 V455	R154-W453 WeakPolarHBondContact O-CZ3 3.27Å; P156-W453 HydrophobicContact CB-CD2 4.06Å; P156-W453 HydrophobicContact CB-CE3 3.99Å; P156-W453 HydrophobicContact CB-CH2 4.14Å; P156-W453 HydrophobicContact CB-CZ2 4.19Å; P156-W453 HydrophobicContact CB-CZ3 4.03Å; P156-W453 VanDerWaalsContact CD-CZ3 3.42Å; P156-W453 HydrophobicContact CG-CH2 4.08Å; P156-W453 HydrophobicContact CG-CZ2 4.39Å; P156-W453 HydrophobicContact CG-CZ3 4.2Å; L422-W453 HydrophobicContact CB-CD2 4.47Å; L422-W453 HydrophobicContact CB-CE3 4.07Å; L422-W453 HydrophobicContact CB-CH2 4.25Å; L422-W453 HydrophobicContact CB-CZ3 3.95Å; L422-W453 HydrophobicContact CD1-CB 4.06Å; L422-W453 HydrophobicContact CD1-CD2 3.93Å; L422-W453 HydrophobicContact CD1-CE3 3.9Å; L422-W453 HydrophobicContact CD1-CG 4.02Å; L422-W453 HydrophobicContact CG-CE3 4.4Å; S440-W453 CarbonylContact C-O 3.53Å; S440-W453 WeakPolarHBondContact CA-O 3.42Å; S440-W453 WeakPolarHBondContact CB-O 3.47Å; I441-W453 HydrophobicContact CD1-CB 4.38Å; I441-W453 HydrophobicContact CG1-CB 3.8Å; I441-W453 HydrophobicContact CG1-CG 4.25Å; I441-W453 PolarHBondContact N-O 2.89Å; I441-W453 PolarHBondContact O-N 3.33Å; T443-W453 PolarHBondContact OG1-NE1 3Å; R451-W453 HydrophobicContact CB-CZ2 3.79Å; R451-W453 HydrophobicContact CG-CZ2 4.42Å; R451-W453 VanDerWaalsContact O-CD1 3.24Å; R451-W453 PolarHBondContact O-NE1 3.03Å; W453-V455 HydrophobicContact CB-CG2 3.8Å; W453-V455 PolarHBondContact O-N 3.27Å
454	R	95.1	Very high	82.2	Confident	131 Å²	131	68.7 Å²	68.7	49%	0.494	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	102.4	170.8	-167.8	171.5	-168.6	150.5	1.4	108.5	Y157 E439	Y157-R454 HydrophobicContact CD1-CB 4.21Å; Y157-R454 HydrophobicContact CE1-CB 4.39Å; E439-R454 IonicContact OE2-CZ 3.14Å; E439-R454 IonicContact OE2-NE 2.78Å; E439-R454 IonicContact OE2-NH2 3.59Å; E439-R454 PolarHBondContact OE2-NH2 3.23Å
455	V	94.1	Very high	79.5	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.018	38%	0.38	C	S	.	.			trans	-106.5	-39.9	-169.5	174.4	0	0	0	0	111.8	R150 V398 V410 L422 E439 I441 W453	R150-V455 VanDerWaalsContact CZ-O 3.3Å; R150-V455 PolarHBondContact NE-O 2.91Å; R150-V455 PolarHBondContact NH2-O 3.47Å; V398-V455 HydrophobicContact CG2-CG1 4.07Å; V410-V455 HydrophobicContact CG1-CG1 4.07Å; V410-V455 HydrophobicContact CG2-CG1 3.63Å; L422-V455 HydrophobicContact CD1-CG2 3.96Å; E439-V455 PolarHBondContact O-N 3.45Å; I441-V455 HydrophobicContact CD1-CG2 3.67Å; I441-V455 HydrophobicContact CG1-CG2 3.7Å; W453-V455 HydrophobicContact CB-CG2 3.8Å; W453-V455 PolarHBondContact O-N 3.27Å
456	F	92.5	Very high	76.7	Confident	1 Å²	1	82.2 Å²	82.2	0%	0.004	42%	0.422	C	S	.	.			trans	-109.8	152.5	-177	-52.1	-69.7	0	0	0	110	S391 E396 V398 M434 G438 E439 I441	S391-F456 WeakPolarHBondContact OG-CD1 3.46Å; S391-F456 WeakPolarHBondContact OG-CE1 3.37Å; S391-F456 WeakPolarHBondContact OG-CG 3.43Å; E396-F456 HydrophobicContact CB-CE1 3.94Å; E396-F456 WeakPolarHBondContact OE2-CD1 3.31Å; E396-F456 WeakPolarHBondContact OE2-CE1 3.4Å; V398-F456 HydrophobicContact CG2-CE1 4.46Å; V398-F456 HydrophobicContact CG2-CE2 4.15Å; V398-F456 HydrophobicContact CG2-CZ 3.58Å; M434-F456 HydrophobicContact CE-CD2 3.77Å; M434-F456 HydrophobicContact CE-CE2 3.31Å; M434-F456 HydrophobicContact CE-CZ 4.19Å; G438-F456 WeakPolarHBondContact O-CB 3.47Å; G438-F456 VanDerWaalsContact O-CD2 3.3Å; G438-F456 WeakPolarHBondContact O-CD2 2.99Å; E439-F456 PolarHBondContact O-N 3.11Å; I441-F456 HydrophobicContact CG2-CE2 4.17Å
457	T	83.7	Confident	74.2	Confident	69 Å²	69	84.9 Å²	84.9	42%	0.423	44%	0.442	S	S	.	.			trans	-119.5	130.3	169.3	52.3	0	0	0	0	106.7	R150 E459	R150-T457 WeakPolarHBondContact CD-OG1 3.5Å; R150-T457 HydrophobicContact CG-CG2 4.44Å; T457-E459 PolarHBondContact O-N 3.03Å
458	K	75.3	Confident	71.2	Confident	137 Å²	137	89.1 Å²	89.1	60%	0.596	47%	0.474	S	S	*	.			trans	-60.2	123	167.3	-171.2	175	-179.3	-179.4	0	108.2	E439 K460	E439-K458 VanDerWaalsContact OE1-CB 3.29Å; E439-K458 WeakPolarHBondContact OE1-CB 3.22Å; E439-K458 PolarHBondContact OE1-N 3.22Å; K458-K460 PolarHBondContact O-N 3.41Å
459	E	66.3	Low	68.2	Low	151 Å²	151	88.7 Å²	88.7	71%	0.706	48%	0.482	S	S	*	.			trans	-57.7	117.8	169.4	-73.1	-176.2	175.9	0	0	106.7	T457 E461	T457-E459 PolarHBondContact O-N 3.03Å; E459-E461 PolarHBondContact O-N 3.49Å; E459-E461 VanDerWaalsContact O-N 3.09Å
460	K	59.6	Low	65.1	Low	185 Å²	185	95.3 Å²	95.3	80%	0.804	52%	0.516	S	S	*	.			trans	-63.9	114.6	165.6	-69.1	-176	179.8	-179	0	104.6	K458 N462	K458-K460 PolarHBondContact O-N 3.41Å; K460-N462 PolarHBondContact O-N 3.32Å
461	E	51.8	Low	62.3	Low	187 Å²	187	100.2 Å²	100.2	87%	0.874	55%	0.547	S	S	*	.			trans	-57.5	95.3	161.6	-70.4	-177.7	177	0	0	105.5	E459 P463	E459-E461 PolarHBondContact O-N 3.49Å; E459-E461 VanDerWaalsContact O-N 3.09Å; E461-P463 VanDerWaalsContact O-CD 3.28Å; E461-P463 WeakPolarHBondContact O-CD 3.42Å; E461-P463 VanDerWaalsContact O-N 3.17Å
462	N	41.4	Very low	59.3	Low	134 Å²	134	102.3 Å²	102.3	72%	0.717	56%	0.56	S	S	*	*			trans	-59.5	120.7	160.5	-79	-22.8	0	0	0	103.6	K460 V464	K460-N462 PolarHBondContact O-N 3.32Å; N462-V464 VanDerWaalsContact C-N 3.29Å; N462-V464 PolarHBondContact O-N 3.22Å
463	P	42.7	Very low	56.6	Low	113 Å²	113	107.5 Å²	107.5	73%	0.734	60%	0.595	S	S	*	*			trans	-56.9	107.7	169.6	22.9	-29.5	0	0	0	104.9	E461 P465	E461-P463 VanDerWaalsContact O-CD 3.28Å; E461-P463 WeakPolarHBondContact O-CD 3.42Å; E461-P463 VanDerWaalsContact O-N 3.17Å; P463-P465 VanDerWaalsContact O-CD 3.26Å; P463-P465 WeakPolarHBondContact O-CD 3.46Å
464	V	43	Very low	54.1	Low	120 Å²	120	113.7 Å²	113.7	73%	0.727	63%	0.628	S	S	*	*			trans	-53.5	119.4	160.7	179.7	0	0	0	0	102.3	N462 L466	N462-V464 VanDerWaalsContact C-N 3.29Å; N462-V464 PolarHBondContact O-N 3.22Å; V464-L466 VanDerWaalsContact C-N 3.28Å; V464-L466 PolarHBondContact O-N 3.09Å
465	P	42	Very low	51.8	Low	115 Å²	115	112.7 Å²	112.7	75%	0.747	63%	0.629	S	S	*	*			trans	-55.6	110.6	167.2	-12.7	25.7	0	0	0	103.1	P463 A467	P463-P465 VanDerWaalsContact O-CD 3.26Å; P463-P465 WeakPolarHBondContact O-CD 3.46Å; P465-A467 PolarHBondContact O-N 3.26Å
466	L	40.7	Very low	49.7	Very low	168 Å²	168	117.4 Å²	117.4	88%	0.88	66%	0.657	S	S	*	*			trans	-49.7	105.8	167.4	-88.8	150.6	0	0	0	103.3	V464 S468	V464-L466 VanDerWaalsContact C-N 3.28Å; V464-L466 PolarHBondContact O-N 3.09Å; L466-S468 PolarHBondContact O-N 2.74Å
467	A	43	Very low	47.4	Very low	80 Å²	80	123.5 Å²	123.5	66%	0.661	69%	0.69	S	S	*	*			trans	-51.3	121.4	174.2	0	0	0	0	0	103.7	P465 S469	P465-A467 PolarHBondContact O-N 3.26Å; A467-S469 PolarHBondContact O-N 2.9Å; A467-S469 PolarHBondContact O-OG 3.39Å
468	S	33.5	Very low	45.7	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	70%	0.704	S	S	*	*			trans	-55.6	80	170.6	55.4	0	0	0	0	107.9	L466	L466-S468 PolarHBondContact O-N 2.74Å
469	S	36.2	Very low	44.4	Very low	90 Å²	90	129 Å²	129	63%	0.629	71%	0.709	S	S	*	*			trans	-99.5	91.3	153.8	46.8	0	0	0	0	102.6	A467 T471	A467-S469 PolarHBondContact O-N 2.9Å; A467-S469 PolarHBondContact O-OG 3.39Å; S469-T471 PolarHBondContact O-N 2.69Å
470	N	32.6	Very low	43.6	Very low	161 Å²	161	128.8 Å²	128.8	86%	0.861	71%	0.711	S	S	*	*			trans	-59.1	85.8	159.9	-78.9	-25.6	0	0	0	106.9
471	T	40.8	Very low	43	Very low	109 Å²	109	123 Å²	123	67%	0.669	70%	0.704	S	S	*	*			trans	-143.3	69.7	159.7	39.5	0	0	0	0	106.7	S469 C473	S469-T471 PolarHBondContact O-N 2.69Å; T471-C473 PolarHBondContact O-N 3.2Å; T471-C473 VanDerWaalsContact O-N 3.15Å
472	D	35.3	Very low	42.7	Very low	79 Å²	79	122.5 Å²	122.5	42%	0.422	70%	0.702	S	S	.	*			trans	37.6	66.6	136.1	-138.8	-19.9	0	0	0	117.2	L474 Q475	D472-L474 PolarHBondContact O-N 2.78Å; D472-Q475 HydrophobicContact CB-CB 3.86Å; D472-Q475 HydrophobicContact CB-CG 4.18Å; D472-Q475 VanDerWaalsContact CG-CG 3.45Å; D472-Q475 PolarHBondContact O-N 3.39Å; D472-Q475 VanDerWaalsContact O-N 3.12Å; D472-Q475 PolarHBondContact OD1-N 3.17Å; D472-Q475 WeakPolarHBondContact OD2-CG 3.26Å; D472-Q475 PolarHBondContact OD2-NE2 3.48Å; D472-Q475 PolarHBondContact OD2-OE1 2.89Å; D472-Q475 VanDerWaalsContact OD2-OE1 3.13Å
473	C	41.5	Very low	42.9	Very low	109 Å²	109	125.1 Å²	125.1	74%	0.736	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-6.5	167.4	-60.2	0	0	0	0	112.8	T471	T471-C473 PolarHBondContact O-N 3.2Å; T471-C473 VanDerWaalsContact O-N 3.15Å
474	L	45.6	Very low	42.9	Very low	131 Å²	131	126.6 Å²	126.6	69%	0.686	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-21.4	169.9	-77.5	169.6	0	0	0	112.9	D472 R478	D472-L474 PolarHBondContact O-N 2.78Å; L474-R478 PolarHBondContact O-N 2.93Å; L474-R478 VanDerWaalsContact O-N 3.15Å
475	Q	47	Very low	42.8	Very low	111 Å²	111	129.8 Å²	129.8	52%	0.519	73%	0.729	S	S	.	*	H	α-helix	trans	-71.3	-31.3	167.9	-94.3	176	-9.2	0	0	113.1	D472 L477 R478 N479	D472-Q475 HydrophobicContact CB-CB 3.86Å; D472-Q475 HydrophobicContact CB-CG 4.18Å; D472-Q475 VanDerWaalsContact CG-CG 3.45Å; D472-Q475 PolarHBondContact O-N 3.39Å; D472-Q475 VanDerWaalsContact O-N 3.12Å; D472-Q475 PolarHBondContact OD1-N 3.17Å; D472-Q475 WeakPolarHBondContact OD2-CG 3.26Å; D472-Q475 PolarHBondContact OD2-NE2 3.48Å; D472-Q475 PolarHBondContact OD2-OE1 2.89Å; D472-Q475 VanDerWaalsContact OD2-OE1 3.13Å; Q475-L477 VanDerWaalsContact C-N 3.28Å; Q475-L477 PolarHBondContact O-N 3.15Å; Q475-R478 PolarHBondContact O-N 3Å; Q475-N479 WeakPolarHBondContact O-CB 3.48Å; Q475-N479 PolarHBondContact O-N 3.23Å
476	V	48.4	Very low	42.7	Very low	101 Å²	101	127.6 Å²	127.6	61%	0.612	73%	0.727	S	S	*	*	H	α-helix	trans	-71.1	-24	179.4	-178.3	0	0	0	0	112.5
477	L	46.2	Very low	42.6	Very low	130 Å²	130	126.3 Å²	126.3	68%	0.681	73%	0.726	S	S	*	*	H	α-helix	trans	-97	-16	173.4	-79.8	165.3	0	0	0	114.1	Q475	Q475-L477 VanDerWaalsContact C-N 3.28Å; Q475-L477 PolarHBondContact O-N 3.15Å
478	R	47.4	Very low	42.9	Very low	190 Å²	190	132.6 Å²	132.6	72%	0.717	76%	0.756	S	S	*	*	H	α-helix	trans	-79.4	-29.2	168.5	-83.4	-179.2	171.4	165.9	-2.5	113	L474 Q475 L480 G481	L474-R478 PolarHBondContact O-N 2.93Å; L474-R478 VanDerWaalsContact O-N 3.15Å; Q475-R478 PolarHBondContact O-N 3Å; R478-L480 PolarHBondContact O-N 3.13Å; R478-G481 PolarHBondContact O-N 3.48Å
479	N	48.3	Very low	43.3	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	4.4	177.6	-67.9	-8.2	0	0	0	114.5	Q475	Q475-N479 WeakPolarHBondContact O-CB 3.48Å; Q475-N479 PolarHBondContact O-N 3.23Å
480	L	49.3	Very low	43.7	Very low	145 Å²	145	135.8 Å²	135.8	76%	0.759	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	5.6	174.3	-75.3	167.2	0	0	0	113.1	R478	R478-L480 PolarHBondContact O-N 3.13Å
481	G	46.3	Very low	44.3	Very low	64 Å²	64	134.4 Å²	134.4	66%	0.66	75%	0.754	S	S	*	*	S	Bend	trans	-118.6	-3.6	-175.7	0	0	0	0	0	116.2	R478	R478-G481 PolarHBondContact O-N 3.48Å
482	E	44.6	Very low	44.5	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	76%	0.759	S	S	*	*	S	Bend	trans	-134.2	50.3	-171.6	-70.2	-172.7	164.7	0	0	113.1
483	E	45.6	Very low	45.1	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.883	78%	0.78	S	S	*	*	S	Bend	trans	-146	84.8	161.7	-76.7	-167.3	164.3	0	0	109.2
484	T	43.7	Very low	45.4	Very low	143 Å²	143	141.5 Å²	141.5	88%	0.877	78%	0.783	S	S	*	*			trans	167.9	75.9	145.4	50.8	0	0	0	0	109.8
485	L	40.5	Very low	45.3	Very low	188 Å²	188	142.2 Å²	142.2	98%	0.984	79%	0.79	S	S	*	*			trans	-145.4	97.2	153.8	-95.4	169.3	0	0	0	106.1
486	G	39.2	Very low	45.2	Very low	68 Å²	68	144.6 Å²	144.6	70%	0.701	81%	0.811	S	S	*	*			trans	-169.9	82.3	-173.4	0	0	0	0	0	111.8
487	V	39.4	Very low	44.9	Very low	141 Å²	141	148.3 Å²	148.3	86%	0.855	83%	0.828	S	S	*	*			trans	53.3	94.2	139.8	-165.6	0	0	0	0	116.7
488	V	48.8	Very low	44.8	Very low	212 Å²	212	149.9 Å²	149.9	100%	1.285	84%	0.841	S	S	*	*				178.3	0	112.1	162.2	0	0	0	0	107.5

Retrieved 488 of 488 residues in 1120.2 ms (Link to these results)

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