A0A087XN33_POEFO Loading...

E3 ubiquitin-protein ligase NEURL1B

E3 ubiquitin-protein ligase involved in regulation of the Notch pathway through influencing the stability and activity of several Notch ligands.

AlphaFold DB , UniProt , Accession A0A087XN33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 573 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	37.9	Very low	34.8	Very low	253 Å²	253	145.2 Å²	145.2	100%	1.246	83%	0.83	S	S	*	*				0	132.1	0	-84.1	-178	174.6	0	0	108
2	G	35.4	Very low	34.3	Very low	65 Å²	65	139.9 Å²	139.9	67%	0.67	82%	0.817	S	S	*	*			trans	100.2	89	177.3	0	0	0	0	0	112.6
3	N	31.3	Very low	33.8	Very low	155 Å²	155	138.7 Å²	138.7	83%	0.829	81%	0.813	S	S	*	*				70.4	127.4	82.7	-71.4	1	0	0	0	111
4	T	35.1	Very low	33.5	Very low	137 Å²	137	141.7 Å²	141.7	84%	0.84	82%	0.823	S	S	*	*			cis	-168.2	151.7	31.6	-0.9	0	0	0	0	110
5	A	38.1	Very low	33.3	Very low	93 Å²	93	144.6 Å²	144.6	77%	0.769	83%	0.825	S	S	*	*			trans	-72.5	167.5	177	0	0	0	0	0	113.9
6	P	42.5	Very low	33.1	Very low	116 Å²	116	143 Å²	143	75%	0.753	82%	0.822	S	S	*	*			trans	-100.3	157.9	-169.8	38.1	-30.9	0	0	0	113.6
7	K	30.3	Very low	32.7	Very low	204 Å²	204	148.8 Å²	148.8	89%	0.887	83%	0.827	S	S	*	*			trans	171.2	171.8	157.5	-105.1	175.3	-175.8	179	0	111.9
8	P	44.4	Very low	32.8	Very low	105 Å²	105	147 Å²	147	68%	0.682	82%	0.824	S	S	*	*				-130	-174.1	-81.3	33.5	-9.7	0	0	0	111.5
9	L	28.4	Very low	32.6	Very low	162 Å²	162	146.9 Å²	146.9	85%	0.848	83%	0.827	S	S	*	*			trans	-179.2	97.6	154.8	-98.3	151.5	0	0	0	107.3
10	I	32.3	Very low	32.4	Very low	159 Å²	159	144.5 Å²	144.5	82%	0.815	83%	0.826	S	S	*	*				69.3	124.5	90.4	-55.8	172.1	0	0	0	114.6
11	D	27.3	Very low	32.2	Very low	148 Å²	148	142.3 Å²	142.3	79%	0.791	82%	0.819	S	S	*	*			trans	-73.3	149.7	-174.1	-175.4	14.7	0	0	0	114.5
12	A	28.5	Very low	31.7	Very low	82 Å²	82	142 Å²	142	68%	0.678	80%	0.804	S	S	*	*			trans	-160.9	104.5	151	0	0	0	0	0	112.1
13	T	28.1	Very low	31.2	Very low	124 Å²	124	145.6 Å²	145.6	76%	0.761	80%	0.803	S	S	*	*			trans	70.5	113.6	137.2	62.1	0	0	0	0	119.8
14	L	29.9	Very low	31	Very low	181 Å²	181	148.8 Å²	148.8	95%	0.948	81%	0.805	S	S	*	*				-159.8	129.2	125.5	-97	165.6	0	0	0	109.5
15	Q	29.9	Very low	30.6	Very low	185 Å²	185	151.1 Å²	151.1	86%	0.864	80%	0.8	S	S	*	*			trans	-72.4	153.2	-172.3	-72.1	-135.8	-29.9	0	0	114.6
16	P	29.6	Very low	30.1	Very low	119 Å²	119	154.6 Å²	154.6	77%	0.773	80%	0.804	S	S	*	*			trans	-98	132.8	173.4	35.1	-27.7	0	0	0	112.8
17	R	26.9	Very low	29.5	Very low	241 Å²	241	156.8 Å²	156.8	91%	0.909	81%	0.809	S	S	*	*			trans	-158.8	154.1	164.6	-119.9	-174.8	178.5	-176.8	0.2	110.4
18	P	33.8	Very low	29.5	Very low	117 Å²	117	152.6 Å²	152.6	76%	0.76	80%	0.802	S	S	*	*				-116.5	150.7	-84.5	33.6	-22	0	0	0	113.4	A20	P18-A20 PolarHBondContact O-N 3.41Å
19	V	28.8	Very low	28.9	Very low	146 Å²	146	154.9 Å²	154.9	89%	0.885	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.8	118.1	172.2	178.2	0	0	0	0	109.2	S21	V19-S21 PolarHBondContact O-N 3.41Å
20	A	30	Very low	29	Very low	97 Å²	97	155 Å²	155	80%	0.802	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.2	124.8	173	0	0	0	0	0	110.6	P18	P18-A20 PolarHBondContact O-N 3.41Å
21	S	27.4	Very low	28.9	Very low	99 Å²	99	150.7 Å²	150.7	69%	0.692	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-57.4	123.9	-179.1	45.6	0	0	0	0	114.7	V19 Q23	V19-S21 PolarHBondContact O-N 3.41Å; S21-Q23 PolarHBondContact O-N 2.86Å
22	R	28	Very low	29	Very low	246 Å²	246	149.5 Å²	149.5	93%	0.928	81%	0.809	S	S	*	*			trans	-75.6	107.7	155.9	-93.3	-175	170.6	-159	-1.8	108.6
23	Q	25.2	Very low	29.3	Very low	141 Å²	141	149.4 Å²	149.4	66%	0.659	82%	0.815	S	S	*	*			trans	-75.1	121.1	169.7	-75.3	177	-20.5	0	0	109.8	S21 Y25	S21-Q23 PolarHBondContact O-N 2.86Å; Q23-Y25 HydrophobicContact CB-CD2 4.23Å; Q23-Y25 HydrophobicContact CB-CE2 3.89Å
24	Y	25.6	Very low	29.4	Very low	222 Å²	222	149.9 Å²	149.9	87%	0.871	82%	0.818	S	S	*	*			trans	-74.2	127.6	162	-79.6	-98.3	0	0	0	108.6
25	Y	26.9	Very low	29.9	Very low	187 Å²	187	150.3 Å²	150.3	73%	0.733	82%	0.815	S	S	*	*			trans	-122.9	123.3	162	-79.1	-76	0	0	0	109.9	Q23	Q23-Y25 HydrophobicContact CB-CD2 4.23Å; Q23-Y25 HydrophobicContact CB-CE2 3.89Å
26	I	27.5	Very low	29.9	Very low	165 Å²	165	152.3 Å²	152.3	85%	0.846	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-79.4	129.8	172	-64.8	170.6	0	0	0	107.6
27	L	30.8	Very low	30.4	Very low	163 Å²	163	158.7 Å²	158.7	85%	0.853	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-81.3	133.9	171.1	-102.1	112.4	0	0	0	110.6
28	P	31	Very low	30.5	Very low	116 Å²	116	153.4 Å²	153.4	75%	0.753	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-83.7	140.8	163.2	17.3	-3.1	0	0	0	111.3
29	N	31.4	Very low	30.6	Very low	153 Å²	153	153.4 Å²	153.4	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70.1	126.4	170.7	-171.7	27.3	0	0	0	110.3
30	N	29.8	Very low	30.8	Very low	163 Å²	163	150.8 Å²	150.8	87%	0.872	82%	0.815	S	S	*	*			trans	-161.8	125.2	149.9	-109.2	-2	0	0	0	110.3
31	G	29.6	Very low	31.1	Very low	70 Å²	70	151.6 Å²	151.6	72%	0.722	81%	0.812	S	S	*	*			trans	-83.6	150.5	-179.7	0	0	0	0	0	113.5
32	S	29.5	Very low	31.6	Very low	123 Å²	123	152.6 Å²	152.6	86%	0.86	82%	0.816	S	S	*	*			trans	172.6	124.1	139.4	54.5	0	0	0	0	107.4
33	G	35	Very low	32	Very low	79 Å²	79	147.3 Å²	147.3	81%	0.814	81%	0.811	S	S	*	*			trans	-69.5	147.8	-169.3	0	0	0	0	0	115
34	V	31.7	Very low	32.4	Very low	135 Å²	135	148 Å²	148	82%	0.818	82%	0.819	S	S	*	*			trans	-151.1	123.5	148.5	178	0	0	0	0	107.1	R36	V34-R36 PolarHBondContact O-N 2.91Å
35	E	39.2	Very low	33.5	Very low	190 Å²	190	143.5 Å²	143.5	89%	0.888	81%	0.809	S	S	*	*			trans	-59.3	127.2	172	-67.8	179.5	134.6	0	0	111.1
36	R	30.4	Very low	34.3	Very low	227 Å²	227	142.3 Å²	142.3	86%	0.857	82%	0.815	S	S	*	*			trans	-148.3	111.3	157.6	-115.9	178.9	-142.3	-179.6	6.2	110.8	V34 T38	V34-R36 PolarHBondContact O-N 2.91Å; R36-T38 PolarHBondContact O-N 3.29Å
37	R	40.2	Very low	36.2	Very low	252 Å²	252	136.5 Å²	136.5	95%	0.951	79%	0.785	S	S	*	*			trans	-55.4	123.7	161.6	-77.9	-179.4	-179.4	-152.1	-0.6	108.8
38	T	29.4	Very low	38.5	Very low	130 Å²	130	134 Å²	134	80%	0.798	77%	0.769	S	S	*	*			trans	-136.7	97.4	159.9	-9.1	0	0	0	0	108.1	R36 A40	R36-T38 PolarHBondContact O-N 3.29Å; T38-A40 PolarHBondContact O-N 3.05Å
39	S	36.1	Very low	41.3	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	75%	0.748	S	S	*	*			trans	-64.9	104.8	163.3	48.4	0	0	0	0	108.7
40	A	31.8	Very low	44.3	Very low	92 Å²	92	123.3 Å²	123.3	76%	0.76	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-74.2	126.1	161	0	0	0	0	0	107.8	T38	T38-A40 PolarHBondContact O-N 3.05Å
41	P	36.6	Very low	47.4	Very low	113 Å²	113	119.3 Å²	119.3	73%	0.734	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-70.1	146.5	174.9	29.5	-31.2	0	0	0	109.5
42	P	38.5	Very low	50.7	Low	121 Å²	121	116 Å²	116	79%	0.786	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-66.3	143.1	172.5	28.2	-31.1	0	0	0	109.7	N44	P42-N44 PolarHBondContact O-N 3.33Å; P42-N44 VanDerWaalsContact O-N 3.14Å
43	V	35.7	Very low	53.8	Low	135 Å²	135	110.5 Å²	110.5	82%	0.818	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-53.9	116.3	176.3	177.1	0	0	0	0	109.1	I45	V43-I45 PolarHBondContact O-N 3.11Å
44	N	34.1	Very low	56.6	Low	154 Å²	154	108.9 Å²	108.9	82%	0.824	58%	0.584	S	S	*	*			trans	-77.8	92.9	-176.4	-149.1	-8.5	0	0	0	108.8	P42 N46	P42-N44 PolarHBondContact O-N 3.33Å; P42-N44 VanDerWaalsContact O-N 3.14Å; N44-N46 PolarHBondContact O-N 2.49Å; N44-N46 VanDerWaalsContact O-N 3.15Å
45	I	47.2	Very low	59.4	Low	128 Å²	128	109.8 Å²	109.8	66%	0.656	58%	0.579	S	S	*	*			trans	-67.8	108.7	167.6	-50.8	171.7	0	0	0	105.1	V43 L47	V43-I45 PolarHBondContact O-N 3.11Å; I45-L47 PolarHBondContact O-N 2.9Å
46	N	45.3	Very low	61.9	Low	162 Å²	162	101 Å²	101	87%	0.866	54%	0.538	S	S	*	.			trans	-71.2	74.4	-179.6	-161.8	-2.9	0	0	0	109.4	N44 E48	N44-N46 PolarHBondContact O-N 2.49Å; N44-N46 VanDerWaalsContact O-N 3.15Å; N46-E48 PolarHBondContact O-N 3.27Å
47	L	65.9	Low	65	Low	43 Å²	43	94.1 Å²	94.1	23%	0.225	51%	0.512	C	S	.	.			trans	-80.7	114.9	-177.4	-177.2	61.5	0	0	0	108.4	I45 S49 R85 H88 E91 F207	I45-L47 PolarHBondContact O-N 2.9Å; L47-S49 PolarHBondContact O-N 3.03Å; L47-R85 VanDerWaalsContact CD1-CZ 3.5Å; L47-R85 VanDerWaalsContact CG-NH2 3.27Å; L47-H88 VanDerWaalsContact CD1-CE1 3.44Å; L47-H88 WeakPolarHBondContact CD1-CE1 3.22Å; L47-E91 HydrophobicContact CD2-CG 4.29Å; L47-F207 HydrophobicContact CD2-CE2 4.12Å; L47-F207 HydrophobicContact CD2-CZ 4Å
48	E	81	Confident	67.4	Low	110 Å²	110	82.3 Å²	82.3	51%	0.514	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-54.3	129.7	174.8	-169.7	177.2	-168.6	0	0	109.7	N46 L50 R51 R85	N46-E48 PolarHBondContact O-N 3.27Å; E48-L50 PolarHBondContact O-N 2.86Å; E48-R51 IonicContact OE1-CZ 2.8Å; E48-R51 IonicContact OE1-NH1 3.66Å; E48-R51 IonicContact OE1-NH2 3.06Å; E48-R51 PolarHBondContact OE1-NH2 3.2Å; E48-R51 IonicContact OE2-NH2 2.65Å; E48-R85 PolarHBondContact O-NE 3.38Å; E48-R85 PolarHBondContact O-NH2 3.27Å
49	S	88.4	Confident	70.4	Confident	45 Å²	45	83.4 Å²	83.4	32%	0.315	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-59.3	138.2	-174.4	-54	0	0	0	0	111.8	L47 R51 R68 H84 D204	L47-S49 PolarHBondContact O-N 3.03Å; S49-R51 PolarHBondContact O-N 3.14Å; S49-R68 VanDerWaalsContact CB-CZ 3.45Å; S49-R68 PolarHBondContact OG-NH2 3.04Å; S49-H84 PolarHBondContact O-CE1 2.89Å; S49-D204 PolarHBondContact OG-OD1 3.49Å
50	L	94.3	Very high	73	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.005	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-66.6	131.3	-176.5	-159.2	66.3	0	0	0	111.3	E48 R85 V87 V93 L202	E48-L50 PolarHBondContact O-N 2.86Å; L50-R85 HydrophobicContact CD1-CG 3.93Å; L50-V87 HydrophobicContact CD1-CG2 4.22Å; L50-V87 HydrophobicContact CD2-CG2 4.25Å; L50-V93 HydrophobicContact CD2-CB 4.31Å; L50-V93 HydrophobicContact CD2-CG1 3.88Å; L50-V93 HydrophobicContact CD2-CG2 3.94Å; L50-L202 HydrophobicContact CD2-CD2 4.16Å
51	R	96.4	Very high	76.1	Confident	78 Å²	78	75.1 Å²	75.1	29%	0.294	40%	0.397	S	S	.	.			trans	-131.4	161.6	177.6	-64.2	177.5	-62.2	-151.6	-6.4	110.3	E48 S49 Q66 L67 R68 H84	E48-R51 IonicContact OE1-CZ 2.8Å; E48-R51 IonicContact OE1-NH1 3.66Å; E48-R51 IonicContact OE1-NH2 3.06Å; E48-R51 PolarHBondContact OE1-NH2 3.2Å; E48-R51 IonicContact OE2-NH2 2.65Å; S49-R51 PolarHBondContact O-N 3.14Å; R51-Q66 WeakPolarHBondContact CD-O 3.46Å; R51-L67 CarbonylContact C-O 3.5Å; R51-L67 WeakPolarHBondContact CA-O 3.48Å; R51-L67 HydrophobicContact CB-CB 4.06Å; R51-L67 WeakPolarHBondContact CB-O 3.18Å; R51-L67 HydrophobicContact CG-CB 4.48Å; R51-R68 HydrophobicContact CG-CG 4.07Å; R51-H84 PolarHBondContact N-CE1 3.02Å; R51-H84 VanDerWaalsContact N-CE1 3.29Å; R51-H84 PolarHBondContact N-ND1 3.17Å; R51-H84 VanDerWaalsContact N-ND1 3.1Å; R51-H84 PolarHBondContact NH2-NE2 3.17Å; R51-H84 PolarHBondContact O-N 3.33Å; R51-H84 PolarHBondContact O-ND1 2.84Å
52	F	97.4	Very high	78.9	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.7	169.9	-66.5	-70.1	0	0	0	111.2	L63 L67 R68 A70 T81 F82 L95 I191 V200 L202	F52-L63 HydrophobicContact CB-CD1 3.81Å; F52-L63 HydrophobicContact CB-CD2 3.76Å; F52-L63 HydrophobicContact CB-CG 4.45Å; F52-L63 HydrophobicContact CD2-CD2 3.98Å; F52-L63 HydrophobicContact CG-CD2 3.95Å; F52-L67 WeakPolarHBondContact CD2-O 3.41Å; F52-L67 PolarHBondContact N-O 3.3Å; F52-R68 WeakPolarHBondContact CE2-O 3.45Å; F52-A70 HydrophobicContact CD1-CB 4.43Å; F52-A70 HydrophobicContact CD2-CB 3.78Å; F52-A70 HydrophobicContact CE1-CB 4.21Å; F52-A70 HydrophobicContact CE2-CB 3.52Å; F52-A70 HydrophobicContact CG-CB 4.25Å; F52-A70 HydrophobicContact CZ-CB 3.77Å; F52-T81 WeakPolarHBondContact CD1-OG1 3.39Å; F52-T81 WeakPolarHBondContact CE1-OG1 3.29Å; F52-F82 CarbonylContact C-O 3.57Å; F52-F82 WeakPolarHBondContact CA-O 3.33Å; F52-L95 HydrophobicContact CZ-CD2 4.27Å; F52-I191 HydrophobicContact CE1-CB 4.37Å; F52-I191 HydrophobicContact CE1-CD1 4.16Å; F52-I191 HydrophobicContact CE1-CG1 4.41Å; F52-V200 HydrophobicContact CZ-CG2 3.81Å; F52-L202 HydrophobicContact CD1-CD1 3.88Å; F52-L202 HydrophobicContact CD2-CD1 3.69Å; F52-L202 HydrophobicContact CD2-CG 4.34Å; F52-L202 HydrophobicContact CE1-CD1 3.8Å; F52-L202 HydrophobicContact CE1-CG 4.13Å; F52-L202 HydrophobicContact CE2-CB 4.33Å; F52-L202 HydrophobicContact CE2-CD1 3.61Å; F52-L202 HydrophobicContact CE2-CG 3.76Å; F52-L202 HydrophobicContact CG-CD1 3.81Å; F52-L202 HydrophobicContact CZ-CD1 3.65Å; F52-L202 HydrophobicContact CZ-CG 3.62Å
53	N	95.6	Very high	81.7	Confident	8 Å²	8	72.1 Å²	72.1	4%	0.043	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	126.3	172.6	-171.5	-54.3	0	0	0	109.6	H55 T56 L63 F82	N53-H55 PolarHBondContact OD1-N 3.3Å; N53-T56 PolarHBondContact OD1-N 3.31Å; N53-L63 WeakPolarHBondContact O-CD1 3.5Å; N53-F82 HydrophobicContact CB-CB 4.37Å; N53-F82 PolarHBondContact N-O 3.49Å
54	P	93.3	Very high	84.5	Confident	46 Å²	46	67 Å²	67	30%	0.299	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-27.6	-175.7	25.4	-30.9	0	0	0	114.3	L67	P54-L67 HydrophobicContact CB-CD1 3.88Å; P54-L67 HydrophobicContact CB-CD2 4.19Å; P54-L67 HydrophobicContact CG-CD1 4.14Å
55	H	89.8	Confident	87.3	Confident	153 Å²	153	63.8 Å²	63.8	71%	0.708	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	-43.2	-171.3	-55.9	111.1	0	0	0	111.8	N53 R57	N53-H55 PolarHBondContact OD1-N 3.3Å; H55-R57 PolarHBondContact O-N 3.09Å
56	T	93.1	Very high	89.6	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	92.2	-175.1	-47.8	0	0	0	0	110.5	N53 F82 P117 L120 I125	N53-T56 PolarHBondContact OD1-N 3.31Å; T56-F82 HydrophobicContact CG2-CD2 3.79Å; T56-F82 HydrophobicContact CG2-CE2 3.8Å; T56-F82 WeakPolarHBondContact O-CD2 3.42Å; T56-P117 WeakPolarHBondContact CB-O 3.42Å; T56-P117 HydrophobicContact CG2-CB 4.16Å; T56-P117 VanDerWaalsContact CG2-O 3.24Å; T56-P117 WeakPolarHBondContact CG2-O 3.3Å; T56-P117 PolarHBondContact OG1-O 2.67Å; T56-L120 HydrophobicContact CG2-CB 3.95Å; T56-L120 HydrophobicContact CG2-CD2 3.98Å; T56-L120 HydrophobicContact CG2-CG 4.15Å; T56-L120 WeakPolarHBondContact CG2-O 3.33Å; T56-L120 PolarHBondContact OG1-O 3.24Å; T56-I125 HydrophobicContact CG2-CD1 3.76Å; T56-I125 HydrophobicContact CG2-CG1 4.35Å
57	R	94.1	Very high	92	Very high	82 Å²	82	58.6 Å²	58.6	31%	0.309	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.3	179.6	66.1	-173.4	-174.9	-155.9	-4.9	112.3	H55 I61 L63 I80 T81 I125	H55-R57 PolarHBondContact O-N 3.09Å; R57-I61 HydrophobicContact CB-CB 4.41Å; R57-I61 HydrophobicContact CB-CG2 4.42Å; R57-L63 VanDerWaalsContact NH1-CD1 3.28Å; R57-I80 CarbonylContact C-O 3.56Å; R57-I80 WeakPolarHBondContact CA-O 3.4Å; R57-T81 HydrophobicContact CB-CG2 4.4Å; R57-I125 VanDerWaalsContact C-CD1 3.44Å; R57-I125 WeakPolarHBondContact O-CD1 3.13Å
58	G	92.1	Very high	93.4	Very high	4 Å²	4	59.1 Å²	59.1	4%	0.041	30%	0.296	C	S	.	.			trans	-62.4	149.7	177.9	0	0	0	0	0	112.6	N60 I61 N78 I80	G58-N60 PolarHBondContact O-N 2.56Å; G58-I61 WeakPolarHBondContact O-CB 3.34Å; G58-I61 PolarHBondContact O-N 2.79Å; G58-N78 CarbonylContact C-O 3.5Å; G58-N78 VanDerWaalsContact C-O 3.31Å; G58-N78 WeakPolarHBondContact CA-O 3.05Å; G58-I80 PolarHBondContact N-O 3.46Å
59	K	91.1	Very high	94.2	Very high	154 Å²	154	58.6 Å²	58.6	67%	0.67	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.5	-172.5	-62.4	175	-176.8	171.9	0	114.1	N78	K59-N78 HydrophobicContact CB-CB 4.45Å; K59-N78 PolarHBondContact N-O 2.67Å
60	N	91.4	Very high	94.7	Very high	28 Å²	28	56.4 Å²	56.4	15%	0.15	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.1	-177.8	-70.5	-29.3	0	0	0	113.8	G58 R72 K73 N74 C77 N78	G58-N60 PolarHBondContact O-N 2.56Å; N60-R72 HydrophobicContact CB-CG 3.87Å; N60-R72 WeakPolarHBondContact O-CA 3.31Å; N60-K73 PolarHBondContact O-N 3.39Å; N60-N74 WeakPolarHBondContact CB-O 3.12Å; N60-N74 VanDerWaalsContact CG-O 3.32Å; N60-N74 PolarHBondContact ND2-O 3.44Å; N60-C77 PolarHBondContact ND2-O 2.86Å; N60-N78 HydrophobicContact CB-CB 4.41Å; N60-N78 PolarHBondContact N-O 2.84Å
61	I	96	Very high	94.8	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.1	-177.7	-61.8	-63.6	0	0	0	111.2	R57 G58 L63 A70 R72 G79 T81 I193	R57-I61 HydrophobicContact CB-CB 4.41Å; R57-I61 HydrophobicContact CB-CG2 4.42Å; G58-I61 WeakPolarHBondContact O-CB 3.34Å; G58-I61 PolarHBondContact O-N 2.79Å; I61-L63 HydrophobicContact CG2-CD2 3.75Å; I61-L63 HydrophobicContact CG2-CG 4.24Å; I61-A70 HydrophobicContact CG2-CB 4.32Å; I61-R72 HydrophobicContact CD1-CB 4.22Å; I61-G79 WeakPolarHBondContact CD1-O 3.46Å; I61-T81 HydrophobicContact CB-CG2 4.27Å; I61-T81 HydrophobicContact CD1-CG2 4.1Å; I61-T81 HydrophobicContact CG1-CG2 3.78Å; I61-T81 HydrophobicContact CG2-CG2 3.75Å; I61-I193 HydrophobicContact CD1-CB 4.04Å; I61-I193 HydrophobicContact CD1-CD1 3.82Å; I61-I193 HydrophobicContact CD1-CG1 4.18Å
62	R	95.6	Very high	94.7	Very high	142 Å²	142	53.5 Å²	53.5	54%	0.536	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.1	164.4	-61.5	-162	175.9	114.8	-5.5	108.9	T71 K73	R62-T71 PolarHBondContact N-O 2.85Å; R62-T71 PolarHBondContact O-N 2.8Å; R62-K73 HydrophobicContact CB-CG 4.29Å; R62-K73 HydrophobicContact CG-CG 3.9Å; R62-K73 VanDerWaalsContact NH1-CG 3.27Å
63	L	97	Very high	94.1	Very high	29 Å²	29	58.5 Å²	58.5	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	151.1	173.9	-57.7	-179.7	0	0	0	110	F52 N53 R57 I61 L67 R69 A70	F52-L63 HydrophobicContact CB-CD1 3.81Å; F52-L63 HydrophobicContact CB-CD2 3.76Å; F52-L63 HydrophobicContact CB-CG 4.45Å; F52-L63 HydrophobicContact CD2-CD2 3.98Å; F52-L63 HydrophobicContact CG-CD2 3.95Å; N53-L63 WeakPolarHBondContact O-CD1 3.5Å; R57-L63 VanDerWaalsContact NH1-CD1 3.28Å; I61-L63 HydrophobicContact CG2-CD2 3.75Å; I61-L63 HydrophobicContact CG2-CG 4.24Å; L63-L67 HydrophobicContact CB-CD2 3.86Å; L63-L67 HydrophobicContact CD1-CD2 3.76Å; L63-L67 HydrophobicContact CG-CD2 4.47Å; L63-R69 CarbonylContact C-O 3.51Å; L63-R69 WeakPolarHBondContact CA-O 3.4Å; L63-A70 HydrophobicContact CD2-CB 3.46Å; L63-A70 VanDerWaalsContact CD2-CB 3.46Å
64	D	95.6	Very high	93.1	Very high	28 Å²	28	62.6 Å²	62.6	15%	0.15	31%	0.308	C	S	.	.			trans	-77.2	171.1	170.2	76.4	-21.1	0	0	0	112.5	Q66 L67 R68 R69	D64-Q66 PolarHBondContact O-N 3.49Å; D64-Q66 VanDerWaalsContact O-N 3.16Å; D64-L67 PolarHBondContact O-N 2.78Å; D64-L67 WeakPolarHBondContact OD1-CA 3.47Å; D64-L67 PolarHBondContact OD1-N 3.38Å; D64-R68 PolarHBondContact OD1-N 3.17Å; D64-R69 HydrophobicContact CB-CB 4.04Å; D64-R69 PolarHBondContact N-O 2.87Å; D64-R69 PolarHBondContact OD1-N 3.16Å; D64-R69 IonicContact OD2-CZ 3.52Å; D64-R69 IonicContact OD2-NH1 3.54Å; D64-R69 IonicContact OD2-NH2 3.46Å; D64-R69 PolarHBondContact OD2-NH2 3.07Å
65	G	93.4	Very high	92.3	Very high	86 Å²	86	63 Å²	63	89%	0.887	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.7	-177.5	0	0	0	0	0	114.4
66	Q	94.1	Very high	91.3	Very high	138 Å²	138	56.4 Å²	56.4	65%	0.645	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.1	175.8	-65.6	-174.8	-15.4	0	0	113.1	R51 D64 R68	R51-Q66 WeakPolarHBondContact CD-O 3.46Å; D64-Q66 PolarHBondContact O-N 3.49Å; D64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-R68 HydrophobicContact CB-CG 4.48Å; Q66-R68 PolarHBondContact O-N 3.36Å; Q66-R68 VanDerWaalsContact O-N 3.16Å
67	L	96.6	Very high	90.5	Very high	43 Å²	43	56.2 Å²	56.2	23%	0.225	28%	0.28	C	S	.	.	S	Bend	trans	53.9	27.5	-174.2	-51.8	174.7	0	0	0	113.2	R51 F52 P54 L63 D64	R51-L67 CarbonylContact C-O 3.5Å; R51-L67 WeakPolarHBondContact CA-O 3.48Å; R51-L67 HydrophobicContact CB-CB 4.06Å; R51-L67 WeakPolarHBondContact CB-O 3.18Å; R51-L67 HydrophobicContact CG-CB 4.48Å; F52-L67 WeakPolarHBondContact CD2-O 3.41Å; F52-L67 PolarHBondContact N-O 3.3Å; P54-L67 HydrophobicContact CB-CD1 3.88Å; P54-L67 HydrophobicContact CB-CD2 4.19Å; P54-L67 HydrophobicContact CG-CD1 4.14Å; L63-L67 HydrophobicContact CB-CD2 3.86Å; L63-L67 HydrophobicContact CD1-CD2 3.76Å; L63-L67 HydrophobicContact CG-CD2 4.47Å; D64-L67 PolarHBondContact O-N 2.78Å; D64-L67 WeakPolarHBondContact OD1-CA 3.47Å; D64-L67 PolarHBondContact OD1-N 3.38Å
68	R	96.1	Very high	90.1	Very high	53 Å²	53	54 Å²	54	20%	0.2	28%	0.275	C	S	.	.			trans	-107	-18.9	178.3	-73	-164.2	-177	-132.3	24.8	112.6	S49 R51 F52 D64 Q66 T201 L202 D204	S49-R68 VanDerWaalsContact CB-CZ 3.45Å; S49-R68 PolarHBondContact OG-NH2 3.04Å; R51-R68 HydrophobicContact CG-CG 4.07Å; F52-R68 WeakPolarHBondContact CE2-O 3.45Å; D64-R68 PolarHBondContact OD1-N 3.17Å; Q66-R68 HydrophobicContact CB-CG 4.48Å; Q66-R68 PolarHBondContact O-N 3.36Å; Q66-R68 VanDerWaalsContact O-N 3.16Å; R68-T201 CarbonylContact O-C 3.59Å; R68-T201 WeakPolarHBondContact O-CA 2.84Å; R68-L202 PolarHBondContact O-N 3.11Å; R68-D204 IonicContact CZ-OD1 3.32Å; R68-D204 IonicContact NH1-OD1 2.62Å; R68-D204 PolarHBondContact NH1-OD1 3.01Å; R68-D204 IonicContact NH2-OD1 2.97Å; R68-D204 PolarHBondContact NH2-OD1 2.92Å
69	R	97.5	Very high	90.1	Very high	99 Å²	99	53.8 Å²	53.8	37%	0.374	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.5	175.2	-175.3	171	58.2	-108.4	-6.8	109.7	L63 D64 E199 V200	L63-R69 CarbonylContact C-O 3.51Å; L63-R69 WeakPolarHBondContact CA-O 3.4Å; D64-R69 HydrophobicContact CB-CB 4.04Å; D64-R69 PolarHBondContact N-O 2.87Å; D64-R69 PolarHBondContact OD1-N 3.16Å; D64-R69 IonicContact OD2-CZ 3.52Å; D64-R69 IonicContact OD2-NH1 3.54Å; D64-R69 IonicContact OD2-NH2 3.46Å; D64-R69 PolarHBondContact OD2-NH2 3.07Å; R69-E199 HydrophobicContact CG-CG 3.88Å; R69-V200 WeakPolarHBondContact CA-O 3.36Å
70	A	97.8	Very high	90.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.2	176.7	0	0	0	0	0	109	F52 I61 L63 I193 E199 V200	F52-A70 HydrophobicContact CD1-CB 4.43Å; F52-A70 HydrophobicContact CD2-CB 3.78Å; F52-A70 HydrophobicContact CE1-CB 4.21Å; F52-A70 HydrophobicContact CE2-CB 3.52Å; F52-A70 HydrophobicContact CG-CB 4.25Å; F52-A70 HydrophobicContact CZ-CB 3.77Å; I61-A70 HydrophobicContact CG2-CB 4.32Å; L63-A70 HydrophobicContact CD2-CB 3.46Å; L63-A70 VanDerWaalsContact CD2-CB 3.46Å; A70-I193 HydrophobicContact CB-CD1 3.45Å; A70-I193 VanDerWaalsContact CB-CD1 3.45Å; A70-I193 WeakPolarHBondContact O-CD1 3.48Å; A70-E199 WeakPolarHBondContact O-CA 3.12Å; A70-E199 WeakPolarHBondContact O-CG 3.42Å; A70-V200 HydrophobicContact CB-CG2 4.41Å; A70-V200 PolarHBondContact N-O 3.25Å; A70-V200 PolarHBondContact O-N 3.32Å
71	T	96.6	Very high	90.7	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.092	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.3	-178.1	-43.5	0	0	0	0	109.5	R62 K73 Q198 E199	R62-T71 PolarHBondContact N-O 2.85Å; R62-T71 PolarHBondContact O-N 2.8Å; T71-K73 HydrophobicContact CG2-CD 4.15Å; T71-K73 HydrophobicContact CG2-CG 4.4Å; T71-Q198 CarbonylContact C-O 3.49Å; T71-E199 HydrophobicContact CG2-CB 4.24Å; T71-E199 HydrophobicContact CG2-CG 4.15Å; T71-E199 WeakPolarHBondContact OG1-CG 2.99Å; T71-E199 PolarHBondContact OG1-OE2 2.77Å
72	R	93.8	Very high	90.7	Very high	3 Å²	3	45 Å²	45	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.6	167.2	-167.6	-174.3	70	-119.5	-3.4	109.2	N60 I61 S75 F76 I193 Y194 G195 T197 Q198	N60-R72 HydrophobicContact CB-CG 3.87Å; N60-R72 WeakPolarHBondContact O-CA 3.31Å; I61-R72 HydrophobicContact CD1-CB 4.22Å; R72-S75 PolarHBondContact NE-O 2.8Å; R72-S75 PolarHBondContact NH2-O 2.77Å; R72-F76 PolarHBondContact NH1-O 2.99Å; R72-I193 HydrophobicContact CB-CG2 3.91Å; R72-I193 WeakPolarHBondContact CD-O 3.32Å; R72-I193 PolarHBondContact NH1-O 2.91Å; R72-Y194 VanDerWaalsContact NH1-CA 3.29Å; R72-G195 VanDerWaalsContact NH1-N 3.11Å; R72-G195 PolarHBondContact NH1-O 3.09Å; R72-G195 PolarHBondContact NH2-O 3.2Å; R72-T197 PolarHBondContact NH1-O 3.18Å; R72-Q198 PolarHBondContact N-O 3.35Å; R72-Q198 WeakPolarHBondContact O-CG 3.29Å; R72-Q198 PolarHBondContact O-NE2 2.89Å
73	K	86.3	Confident	90.8	Very high	105 Å²	105	38.2 Å²	38.2	46%	0.457	21%	0.208	S	C	.	.			trans	-93.7	-32.7	-173.3	-72.2	-78.9	-174.8	-172	0	113.9	N60 R62 T71	N60-K73 PolarHBondContact O-N 3.39Å; R62-K73 HydrophobicContact CB-CG 4.29Å; R62-K73 HydrophobicContact CG-CG 3.9Å; R62-K73 VanDerWaalsContact NH1-CG 3.27Å; T71-K73 HydrophobicContact CG2-CD 4.15Å; T71-K73 HydrophobicContact CG2-CG 4.4Å
74	N	74.6	Confident	90.7	Very high	93 Å²	93	38.7 Å²	38.7	50%	0.497	21%	0.209	S	C	.	.	S	Bend	trans	-127.6	151.8	-175.5	-61.8	-14.7	0	0	0	110.3	N60	N60-N74 WeakPolarHBondContact CB-O 3.12Å; N60-N74 VanDerWaalsContact CG-O 3.32Å; N60-N74 PolarHBondContact ND2-O 3.44Å
75	S	76.4	Confident	90.7	Very high	56 Å²	56	38.7 Å²	38.7	39%	0.392	21%	0.207	S	C	.	.	S	Bend	trans	55.5	-164.7	176.7	-165.7	0	0	0	0	113.5	R72	R72-S75 PolarHBondContact NE-O 2.8Å; R72-S75 PolarHBondContact NH2-O 2.77Å
76	F	68.9	Low	90.9	Very high	14 Å²	14	37 Å²	37	6%	0.061	18%	0.181	C	C	.	.	S	Bend	trans	-114.2	-5.9	-179.5	62.1	-85.3	0	0	0	114.1	R72 W104 Y128 Y194 G195 Y386 D428	R72-F76 PolarHBondContact NH1-O 2.99Å; F76-W104 HydrophobicContact CB-CD2 3.75Å; F76-W104 HydrophobicContact CB-CE3 3.34Å; F76-W104 HydrophobicContact CB-CG 4.28Å; F76-W104 HydrophobicContact CB-CZ3 3.77Å; F76-W104 AromaticContact CD1-CE3 3.73Å; F76-W104 HydrophobicContact CD1-CE3 3.73Å; F76-W104 HydrophobicContact CD1-CH2 4.18Å; F76-W104 AromaticContact CD1-CZ3 3.32Å; F76-W104 HydrophobicContact CD1-CZ3 3.32Å; F76-W104 HydrophobicContact CE1-CZ3 4.21Å; F76-W104 AromaticContact CG-CE3 3.77Å; F76-W104 HydrophobicContact CG-CE3 3.77Å; F76-W104 AromaticContact CG-CZ3 3.87Å; F76-W104 HydrophobicContact CG-CZ3 3.87Å; F76-Y128 HydrophobicContact CE2-CE1 4.03Å; F76-Y194 AromaticContact CD2-CE2 3.85Å; F76-Y194 HydrophobicContact CD2-CE2 3.85Å; F76-Y194 AromaticContact CD2-CZ 3.93Å; F76-Y194 HydrophobicContact CE2-CE2 4.28Å; F76-Y194 WeakPolarHBondContact O-CD2 3.41Å; F76-G195 PolarHBondContact O-N 3.43Å; F76-Y386 HydrophobicContact CE2-CE2 4.46Å; F76-D428 HydrophobicContact CZ-CB 4.15Å
77	C	76.8	Confident	90.9	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.153	C	C	.	.			trans	-138.8	-170.9	-170.6	62	0	0	0	0	111.5	N60 G79 K127 Y128 Y194	N60-C77 PolarHBondContact ND2-O 2.86Å; C77-G79 PolarHBondContact O-N 3.07Å; C77-K127 HydrophobicContact CB-CG 3.91Å; C77-K127 WeakPolarHBondContact SG-CE 3.28Å; C77-Y128 HydrophobicContact CB-CD1 3.87Å; C77-Y128 HydrophobicContact CB-CE1 3.43Å; C77-Y128 VanDerWaalsContact CB-CE1 3.43Å; C77-Y194 HydrophobicContact CB-CD2 4.41Å; C77-Y194 HydrophobicContact CB-CE2 4.3Å
78	N	84.8	Confident	90.8	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.193	16%	0.164	C	C	.	.			trans	55.3	40.4	-168	-54.5	-70.8	0	0	0	111.4	G58 K59 N60 K127	G58-N78 CarbonylContact C-O 3.5Å; G58-N78 VanDerWaalsContact C-O 3.31Å; G58-N78 WeakPolarHBondContact CA-O 3.05Å; K59-N78 HydrophobicContact CB-CB 4.45Å; K59-N78 PolarHBondContact N-O 2.67Å; N60-N78 HydrophobicContact CB-CB 4.41Å; N60-N78 PolarHBondContact N-O 2.84Å; N78-K127 PolarHBondContact N-O 2.88Å; N78-K127 WeakPolarHBondContact OD1-CA 3.43Å
79	G	92.1	Very high	90.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.			trans	-104.8	8.7	-172.8	0	0	0	0	0	114.5	I61 C77 D192 I193	I61-G79 WeakPolarHBondContact CD1-O 3.46Å; C77-G79 PolarHBondContact O-N 3.07Å; G79-D192 VanDerWaalsContact C-OD1 3.25Å; G79-I193 PolarHBondContact O-N 3.4Å
80	I	96.2	Very high	90.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.5	-172.9	-55.1	175	0	0	0	110.5	R57 G58 F82 I125 P126 A129 L133 I190 D192	R57-I80 CarbonylContact C-O 3.56Å; R57-I80 WeakPolarHBondContact CA-O 3.4Å; G58-I80 PolarHBondContact N-O 3.46Å; I80-F82 HydrophobicContact CG2-CE1 4.38Å; I80-F82 HydrophobicContact CG2-CE2 3.84Å; I80-F82 HydrophobicContact CG2-CZ 3.69Å; I80-I125 HydrophobicContact CB-CG2 3.84Å; I80-I125 HydrophobicContact CD1-CG2 3.95Å; I80-I125 HydrophobicContact CG1-CG2 4.36Å; I80-I125 HydrophobicContact CG2-CG2 4.25Å; I80-P126 HydrophobicContact CD1-CG 4.09Å; I80-P126 WeakPolarHBondContact CD1-O 3.31Å; I80-A129 HydrophobicContact CD1-CB 4.32Å; I80-A129 HydrophobicContact CG1-CB 4.38Å; I80-L133 HydrophobicContact CD1-CD1 3.77Å; I80-L133 HydrophobicContact CD1-CG 4.21Å; I80-L133 HydrophobicContact CG2-CD1 3.9Å; I80-I190 HydrophobicContact CG2-CG2 4.31Å; I80-D192 HydrophobicContact CG1-CB 4.09Å; I80-D192 PolarHBondContact N-OD1 2.89Å
81	T	97.8	Very high	90.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	159.4	175.7	64.7	0	0	0	0	109.8	F52 R57 I61 I191	F52-T81 WeakPolarHBondContact CD1-OG1 3.39Å; F52-T81 WeakPolarHBondContact CE1-OG1 3.29Å; R57-T81 HydrophobicContact CB-CG2 4.4Å; I61-T81 HydrophobicContact CB-CG2 4.27Å; I61-T81 HydrophobicContact CD1-CG2 4.1Å; I61-T81 HydrophobicContact CG1-CG2 3.78Å; I61-T81 HydrophobicContact CG2-CG2 3.75Å; T81-I191 WeakPolarHBondContact CA-O 3.38Å; T81-I191 PolarHBondContact N-O 3.25Å; T81-I191 PolarHBondContact O-N 3.21Å; T81-I191 WeakPolarHBondContact OG1-CB 3.02Å; T81-I191 PolarHBondContact OG1-O 3.48Å
82	F	97.8	Very high	90.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.8	179.4	-55.9	-87.8	0	0	0	111	F52 N53 T56 I80 T113 P117 L120 I125 L133 Y139 A189 I190	F52-F82 CarbonylContact C-O 3.57Å; F52-F82 WeakPolarHBondContact CA-O 3.33Å; N53-F82 HydrophobicContact CB-CB 4.37Å; N53-F82 PolarHBondContact N-O 3.49Å; T56-F82 HydrophobicContact CG2-CD2 3.79Å; T56-F82 HydrophobicContact CG2-CE2 3.8Å; T56-F82 WeakPolarHBondContact O-CD2 3.42Å; I80-F82 HydrophobicContact CG2-CE1 4.38Å; I80-F82 HydrophobicContact CG2-CE2 3.84Å; I80-F82 HydrophobicContact CG2-CZ 3.69Å; F82-T113 HydrophobicContact CD1-CG2 4.09Å; F82-T113 HydrophobicContact CE1-CG2 4.27Å; F82-P117 HydrophobicContact CB-CB 3.71Å; F82-P117 HydrophobicContact CB-CG 3.47Å; F82-P117 VanDerWaalsContact CB-CG 3.47Å; F82-P117 HydrophobicContact CD1-CB 4.37Å; F82-P117 HydrophobicContact CD1-CG 3.99Å; F82-P117 HydrophobicContact CD2-CB 4.06Å; F82-P117 HydrophobicContact CG-CB 3.79Å; F82-P117 HydrophobicContact CG-CG 3.75Å; F82-L120 HydrophobicContact CE2-CD2 4.03Å; F82-L120 HydrophobicContact CZ-CD2 3.94Å; F82-I125 HydrophobicContact CE2-CD1 4.48Å; F82-L133 HydrophobicContact CZ-CD1 4.28Å; F82-Y139 HydrophobicContact CE1-CE1 4.42Å; F82-A189 CarbonylContact C-O 3.6Å; F82-A189 WeakPolarHBondContact CA-O 3.1Å; F82-I190 HydrophobicContact CD1-CG1 4.03Å; F82-I190 HydrophobicContact CE1-CG1 3.94Å; F82-I190 HydrophobicContact CE1-CG2 4.24Å
83	S	97.4	Very high	90.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	145.7	165.5	57.2	0	0	0	0	110.9	R85 A189	S83-R85 WeakPolarHBondContact CB-O 3.35Å; S83-R85 PolarHBondContact O-N 2.67Å; S83-R85 PolarHBondContact OG-O 2.92Å; S83-A189 PolarHBondContact N-O 2.94Å; S83-A189 PolarHBondContact OG-N 3.11Å
84	H	95.5	Very high	90.9	Very high	39 Å²	39	29.1 Å²	29.1	18%	0.181	15%	0.148	C	C	.	.	S	Bend	trans	-71.5	-18.7	177.2	76.8	-71.3	0	0	0	113.8	S49 R51	S49-H84 PolarHBondContact O-CE1 2.89Å; R51-H84 PolarHBondContact N-CE1 3.02Å; R51-H84 VanDerWaalsContact N-CE1 3.29Å; R51-H84 PolarHBondContact N-ND1 3.17Å; R51-H84 VanDerWaalsContact N-ND1 3.1Å; R51-H84 PolarHBondContact NH2-NE2 3.17Å; R51-H84 PolarHBondContact O-N 3.33Å; R51-H84 PolarHBondContact O-ND1 2.84Å
85	R	95.3	Very high	92	Very high	28 Å²	28	24.7 Å²	24.7	11%	0.106	12%	0.124	C	C	.	.	S	Bend	trans	-135.2	163.2	178	68.8	162.4	175.3	73.6	3.7	110.9	L47 E48 L50 S83 E91 W188	L47-R85 VanDerWaalsContact CD1-CZ 3.5Å; L47-R85 VanDerWaalsContact CG-NH2 3.27Å; E48-R85 PolarHBondContact O-NE 3.38Å; E48-R85 PolarHBondContact O-NH2 3.27Å; L50-R85 HydrophobicContact CD1-CG 3.93Å; S83-R85 WeakPolarHBondContact CB-O 3.35Å; S83-R85 PolarHBondContact O-N 2.67Å; S83-R85 PolarHBondContact OG-O 2.92Å; R85-E91 IonicContact CZ-OE1 2.73Å; R85-E91 IonicContact CZ-OE2 2.98Å; R85-E91 IonicContact NH1-OE1 3.43Å; R85-E91 PolarHBondContact NH1-OE1 2.66Å; R85-E91 VanDerWaalsContact NH1-OE1 3.17Å; R85-E91 IonicContact NH1-OE2 3.3Å; R85-E91 PolarHBondContact NH1-OE2 3.42Å; R85-E91 IonicContact NH2-OE1 3.97Å; R85-E91 PolarHBondContact NH2-OE1 2.97Å; R85-E91 IonicContact NH2-OE2 3.71Å; R85-W188 VanDerWaalsContact C-CD1 3.48Å
86	P	96.1	Very high	93	Very high	51 Å²	51	27.3 Å²	27.3	33%	0.331	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-58.1	144.9	167	-21.3	31	0	0	0	112.1	P186 L187 W188	P86-P186 HydrophobicContact CB-CB 3.88Å; P86-P186 HydrophobicContact CG-CB 3.94Å; P86-L187 CarbonylContact C-O 3.41Å; P86-L187 WeakPolarHBondContact CA-O 3.47Å; P86-W188 HydrophobicContact CG-CD2 4.34Å; P86-W188 HydrophobicContact CG-CH2 4.2Å; P86-W188 HydrophobicContact CG-CZ2 3.62Å
87	V	95.5	Very high	94.3	Very high	11 Å²	11	26.7 Å²	26.7	7%	0.067	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-98.1	132.4	175.1	-178.4	0	0	0	0	108.4	L50 E91 V93 F112 L187 A189	L50-V87 HydrophobicContact CD1-CG2 4.22Å; L50-V87 HydrophobicContact CD2-CG2 4.25Å; V87-E91 HydrophobicContact CG1-CB 3.8Å; V87-E91 HydrophobicContact CG1-CG 4.05Å; V87-V93 HydrophobicContact CB-CG2 4.47Å; V87-V93 HydrophobicContact CG1-CG2 3.8Å; V87-V93 HydrophobicContact CG2-CG2 3.89Å; V87-F112 HydrophobicContact CB-CE1 4.29Å; V87-F112 HydrophobicContact CG1-CE1 4.28Å; V87-L187 PolarHBondContact N-O 2.73Å; V87-A189 HydrophobicContact CG2-CB 4.14Å
88	H	93.9	Very high	95.2	Very high	99 Å²	99	28.1 Å²	28.1	46%	0.458	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-73.6	157	179	-60.5	84.6	0	0	0	111.5	L47 Y90 E91 F207	L47-H88 VanDerWaalsContact CD1-CE1 3.44Å; L47-H88 WeakPolarHBondContact CD1-CE1 3.22Å; H88-Y90 PolarHBondContact O-N 3.45Å; H88-E91 HydrophobicContact CB-CB 4.01Å; H88-E91 IonicContact CG-OE2 3.04Å; H88-E91 PolarHBondContact N-OE2 3.19Å; H88-E91 IonicContact ND1-OE2 2.74Å; H88-E91 PolarHBondContact ND1-OE2 3.25Å; H88-E91 WeakPolarHBondContact O-CB 3.34Å; H88-E91 PolarHBondContact O-N 2.86Å; H88-F207 HydrophobicContact CB-CE1 4.3Å
89	L	92.2	Very high	95.4	Very high	60 Å²	60	27.1 Å²	27.1	31%	0.314	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	139.8	166.4	-60.6	177.5	0	0	0	109.4	E91 A159 R161 I183	L89-E91 PolarHBondContact O-N 2.84Å; L89-E91 VanDerWaalsContact O-N 3.13Å; L89-A159 HydrophobicContact CD2-CB 4.23Å; L89-R161 HydrophobicContact CD1-CB 4.31Å; L89-I183 HydrophobicContact CD2-CG2 4.04Å
90	Y	93.2	Very high	95.1	Very high	42 Å²	42	29.2 Å²	29.2	17%	0.165	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-4.5	-173.5	-51.3	-82.4	0	0	0	115.6	H88 K92 A159 D160 R161 F207 A208	H88-Y90 PolarHBondContact O-N 3.45Å; Y90-K92 PolarHBondContact O-N 2.73Å; Y90-A159 PolarHBondContact N-O 2.88Å; Y90-D160 HydrophobicContact CD1-CB 4.33Å; Y90-D160 HydrophobicContact CE1-CB 3.64Å; Y90-R161 HydrophobicContact CE2-CB 4.12Å; Y90-R161 WeakPolarHBondContact OH-CB 3.49Å; Y90-R161 WeakPolarHBondContact OH-CD 3.41Å; Y90-R161 WeakPolarHBondContact OH-CG 3.24Å; Y90-R161 PolarHBondContact OH-N 3.1Å; Y90-R161 PolarHBondContact OH-NH1 2.8Å; Y90-F207 CarbonylContact O-C 3.46Å; Y90-F207 WeakPolarHBondContact O-CA 3.35Å; Y90-A208 PolarHBondContact O-N 3.21Å
91	E	94.9	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.8	171.9	-173.1	-173.2	164.5	0	0	109.4	L47 R85 V87 H88 L89 W158 S205 F207	L47-E91 HydrophobicContact CD2-CG 4.29Å; R85-E91 IonicContact CZ-OE1 2.73Å; R85-E91 IonicContact CZ-OE2 2.98Å; R85-E91 IonicContact NH1-OE1 3.43Å; R85-E91 PolarHBondContact NH1-OE1 2.66Å; R85-E91 VanDerWaalsContact NH1-OE1 3.17Å; R85-E91 IonicContact NH1-OE2 3.3Å; R85-E91 PolarHBondContact NH1-OE2 3.42Å; R85-E91 IonicContact NH2-OE1 3.97Å; R85-E91 PolarHBondContact NH2-OE1 2.97Å; R85-E91 IonicContact NH2-OE2 3.71Å; V87-E91 HydrophobicContact CG1-CB 3.8Å; V87-E91 HydrophobicContact CG1-CG 4.05Å; H88-E91 HydrophobicContact CB-CB 4.01Å; H88-E91 IonicContact CG-OE2 3.04Å; H88-E91 PolarHBondContact N-OE2 3.19Å; H88-E91 IonicContact ND1-OE2 2.74Å; H88-E91 PolarHBondContact ND1-OE2 3.25Å; H88-E91 WeakPolarHBondContact O-CB 3.34Å; H88-E91 PolarHBondContact O-N 2.86Å; L89-E91 PolarHBondContact O-N 2.84Å; L89-E91 VanDerWaalsContact O-N 3.13Å; E91-W158 WeakPolarHBondContact O-CB 3.29Å; E91-S205 WeakPolarHBondContact OE1-CB 3.41Å; E91-S205 PolarHBondContact OE1-OG 3.2Å; E91-F207 HydrophobicContact CB-CD1 4.32Å; E91-F207 HydrophobicContact CB-CE1 3.81Å; E91-F207 HydrophobicContact CB-CZ 4.11Å; E91-F207 HydrophobicContact CG-CE1 4.44Å; E91-F207 HydrophobicContact CG-CZ 4.26Å
92	K	95.5	Very high	92.7	Very high	37 Å²	37	38.1 Å²	38.1	16%	0.161	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.8	176.3	-62.8	-173.6	177.6	177	0	109.8	Y90 R94 W158 T206 A208	Y90-K92 PolarHBondContact O-N 2.73Å; K92-R94 HydrophobicContact CB-CG 4.01Å; K92-R94 PolarHBondContact O-N 3.5Å; K92-W158 HydrophobicContact CD-CE3 4.06Å; K92-W158 HydrophobicContact CD-CZ3 4.27Å; K92-W158 HydrophobicContact CG-CB 4.27Å; K92-W158 HydrophobicContact CG-CD2 4.05Å; K92-W158 HydrophobicContact CG-CE3 3.76Å; K92-W158 HydrophobicContact CG-CG 4.3Å; K92-W158 HydrophobicContact CG-CZ3 4.46Å; K92-T206 VanDerWaalsContact CB-O 3.28Å; K92-T206 WeakPolarHBondContact CB-O 2.97Å; K92-T206 PolarHBondContact N-O 2.97Å; K92-A208 HydrophobicContact CG-CB 4.3Å
93	V	97.4	Very high	90.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.4	163.1	-175.7	0	0	0	0	107.2	L50 V87 F112 S156 F157 A189 L202	L50-V93 HydrophobicContact CD2-CB 4.31Å; L50-V93 HydrophobicContact CD2-CG1 3.88Å; L50-V93 HydrophobicContact CD2-CG2 3.94Å; V87-V93 HydrophobicContact CB-CG2 4.47Å; V87-V93 HydrophobicContact CG1-CG2 3.8Å; V87-V93 HydrophobicContact CG2-CG2 3.89Å; V93-F112 HydrophobicContact CG2-CE1 4.41Å; V93-S156 CarbonylContact O-C 3.56Å; V93-S156 VanDerWaalsContact O-CA 3.32Å; V93-S156 WeakPolarHBondContact O-CA 3.43Å; V93-F157 HydrophobicContact CB-CD1 4.08Å; V93-F157 HydrophobicContact CB-CD2 4.26Å; V93-F157 HydrophobicContact CB-CE1 3.67Å; V93-F157 HydrophobicContact CB-CE2 3.86Å; V93-F157 HydrophobicContact CB-CG 4.37Å; V93-F157 HydrophobicContact CB-CZ 3.57Å; V93-F157 HydrophobicContact CG1-CD1 4.38Å; V93-F157 HydrophobicContact CG1-CE1 3.54Å; V93-F157 HydrophobicContact CG1-CE2 4.21Å; V93-F157 HydrophobicContact CG1-CZ 3.45Å; V93-F157 VanDerWaalsContact CG1-CZ 3.45Å; V93-F157 HydrophobicContact CG2-CD2 4.49Å; V93-F157 HydrophobicContact CG2-CE2 3.98Å; V93-F157 HydrophobicContact CG2-CZ 4.07Å; V93-F157 PolarHBondContact N-O 3.42Å; V93-F157 PolarHBondContact O-N 3.17Å; V93-A189 HydrophobicContact CG1-CB 4.17Å; V93-A189 HydrophobicContact CG2-CB 3.94Å; V93-L202 HydrophobicContact CG1-CD2 3.95Å
94	R	97.2	Very high	89.2	Confident	40 Å²	40	41 Å²	41	15%	0.151	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.1	-174.3	-57.2	-176.6	85.5	-169.2	6.8	110.3	K92 M154 L155 D171 L202 L203 D204	K92-R94 HydrophobicContact CB-CG 4.01Å; K92-R94 PolarHBondContact O-N 3.5Å; R94-M154 PolarHBondContact NH2-SD 3.33Å; R94-L155 CarbonylContact C-O 3.51Å; R94-L155 WeakPolarHBondContact CA-O 3.16Å; R94-D171 IonicContact CZ-OD1 2.93Å; R94-D171 IonicContact NH2-OD1 3.73Å; R94-D171 PolarHBondContact NH2-OD1 2.94Å; R94-D171 IonicContact NH2-OD2 3.17Å; R94-D171 PolarHBondContact NH2-OD2 2.8Å; R94-L202 WeakPolarHBondContact O-CA 3.26Å; R94-L203 HydrophobicContact CB-CB 3.97Å; R94-L203 PolarHBondContact O-N 2.77Å; R94-D204 WeakPolarHBondContact CD-O 3.48Å
95	L	97.6	Very high	87.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.7	-177.3	-63.2	171.5	0	0	0	109.7	F52 L108 M154 L155 F157 I191 V200 T201 L202	F52-L95 HydrophobicContact CZ-CD2 4.27Å; L95-L108 HydrophobicContact CD1-CD2 4.06Å; L95-M154 CarbonylContact O-C 3.55Å; L95-M154 VanDerWaalsContact O-CA 3.29Å; L95-M154 WeakPolarHBondContact O-CA 3.45Å; L95-L155 HydrophobicContact CB-CB 4.46Å; L95-L155 HydrophobicContact CD1-CD2 4.31Å; L95-L155 PolarHBondContact N-O 3.36Å; L95-L155 PolarHBondContact O-N 3.2Å; L95-F157 HydrophobicContact CD1-CE1 3.8Å; L95-F157 HydrophobicContact CG-CE1 4.4Å; L95-I191 HydrophobicContact CD1-CG1 3.81Å; L95-I191 HydrophobicContact CD1-CG2 3.88Å; L95-I191 HydrophobicContact CD2-CG1 4.33Å; L95-V200 HydrophobicContact CD2-CG2 4.4Å; L95-T201 WeakPolarHBondContact CA-O 3.21Å; L95-L202 HydrophobicContact CD2-CD2 3.46Å; L95-L202 VanDerWaalsContact CD2-CD2 3.46Å; L95-L202 HydrophobicContact CD2-CG 3.81Å; L95-L202 HydrophobicContact CG-CD2 4.45Å
96	R	97.6	Very high	85.8	Confident	112 Å²	112	38.5 Å²	38.5	42%	0.423	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.3	165.7	-172.6	175.7	-179.2	160.6	1.5	109.8	T98 D152 V200 T201 L203	R96-T98 HydrophobicContact CB-CG2 4.42Å; R96-T98 HydrophobicContact CG-CG2 4.11Å; R96-T98 PolarHBondContact O-N 2.89Å; R96-D152 IonicContact CZ-OD1 2.86Å; R96-D152 VanDerWaalsContact CZ-OD1 3.3Å; R96-D152 IonicContact NE-OD1 2.72Å; R96-D152 PolarHBondContact NE-OD1 3.33Å; R96-D152 IonicContact NH2-OD1 3.4Å; R96-D152 PolarHBondContact NH2-OD1 3.36Å; R96-V200 CarbonylContact O-C 3.47Å; R96-V200 VanDerWaalsContact O-CA 3.28Å; R96-V200 WeakPolarHBondContact O-CA 3.47Å; R96-T201 PolarHBondContact N-O 3.37Å; R96-T201 PolarHBondContact O-N 3.44Å; R96-L203 HydrophobicContact CB-CD1 4.22Å; R96-L203 HydrophobicContact CB-CD2 4.29Å; R96-L203 HydrophobicContact CB-CG 4.34Å
97	L	96.1	Very high	84.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	90.9	175.3	-70.1	148.3	0	0	0	109.6	V100 L108 L144 I150 K151 D152 N153 T197 V200	L97-V100 HydrophobicContact CB-CG2 4.4Å; L97-L108 HydrophobicContact CD2-CD2 4.42Å; L97-L144 HydrophobicContact CD1-CD2 4.17Å; L97-I150 WeakPolarHBondContact CB-O 3.48Å; L97-K151 CarbonylContact O-C 3.59Å; L97-K151 WeakPolarHBondContact O-CA 3.36Å; L97-D152 PolarHBondContact O-N 3.44Å; L97-N153 HydrophobicContact CD1-CB 3.69Å; L97-N153 PolarHBondContact N-O 2.83Å; L97-T197 HydrophobicContact CD2-CG2 3.42Å; L97-T197 VanDerWaalsContact CD2-CG2 3.42Å; L97-V200 HydrophobicContact CD2-CG1 4.18Å
98	T	94.3	Very high	84.7	Confident	31 Å²	31	35.6 Å²	35.6	19%	0.19	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-23.4	-173.5	51.6	0	0	0	0	113.6	R96 K151 E199 T201	R96-T98 HydrophobicContact CB-CG2 4.42Å; R96-T98 HydrophobicContact CG-CG2 4.11Å; R96-T98 PolarHBondContact O-N 2.89Å; T98-K151 WeakPolarHBondContact O-CE 3.28Å; T98-E199 WeakPolarHBondContact CB-OE1 3.41Å; T98-E199 PolarHBondContact N-O 3.3Å; T98-E199 WeakPolarHBondContact OG1-CG 3.35Å; T98-E199 PolarHBondContact OG1-O 3.21Å; T98-E199 PolarHBondContact OG1-OE1 3.16Å; T98-T201 WeakPolarHBondContact CG2-OG1 3.26Å
99	G	89.8	Confident	84.7	Confident	15 Å²	15	32.2 Å²	32.2	16%	0.155	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118.6	178.7	0	0	0	0	0	111.6	Q198 E199	G99-Q198 PolarHBondContact O-N 2.76Å; G99-E199 PolarHBondContact N-O 3.11Å; G99-E199 VanDerWaalsContact N-O 3.14Å; G99-E199 PolarHBondContact O-N 2.85Å
100	V	86.5	Confident	84.8	Confident	44 Å²	44	29.5 Å²	29.5	27%	0.267	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.9	175.2	-178.1	0	0	0	0	108.6	L97 A149 K151 I196	L97-V100 HydrophobicContact CB-CG2 4.4Å; V100-A149 VanDerWaalsContact CG1-O 3.25Å; V100-A149 WeakPolarHBondContact CG1-O 3.47Å; V100-A149 WeakPolarHBondContact CG2-O 3.18Å; V100-K151 HydrophobicContact CG2-CB 4.33Å; V100-I196 CarbonylContact C-O 3.48Å; V100-I196 VanDerWaalsContact CA-O 3.24Å; V100-I196 WeakPolarHBondContact CA-O 3.45Å; V100-I196 HydrophobicContact CG1-CB 4.17Å; V100-I196 HydrophobicContact CG1-CD1 4.36Å; V100-I196 HydrophobicContact CG1-CG1 4.32Å
101	H	78.1	Confident	84.9	Confident	60 Å²	60	27.5 Å²	27.5	28%	0.278	14%	0.14	S	C	.	.			trans	-123.1	128.2	-175.4	-175.1	-94.8	0	0	0	110.7	G103 W104 I196 R423	H101-G103 VanDerWaalsContact C-N 3.25Å; H101-G103 PolarHBondContact ND1-N 3.5Å; H101-G103 PolarHBondContact O-N 2.85Å; H101-W104 AromaticContact ND1-CD1 3.58Å; H101-W104 AromaticContact ND1-NE1 3.67Å; H101-I196 PolarHBondContact N-O 3.41Å; H101-I196 WeakPolarHBondContact O-CA 3.2Å; H101-I196 WeakPolarHBondContact O-CB 3.03Å; H101-I196 WeakPolarHBondContact O-CG2 3.49Å; H101-R423 PolarHBondContact CE1-NH2 2.79Å
102	T	64.4	Low	84.9	Confident	129 Å²	129	27.7 Å²	27.7	79%	0.791	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	11	-171.2	53.5	0	0	0	0	114.9
103	G	57.5	Low	84.9	Confident	2 Å²	2	26 Å²	26	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.8	-176.8	0	0	0	0	0	116	H101 L425 C426	H101-G103 VanDerWaalsContact C-N 3.25Å; H101-G103 PolarHBondContact ND1-N 3.5Å; H101-G103 PolarHBondContact O-N 2.85Å; G103-L425 CarbonylContact O-C 3.54Å; G103-C426 PolarHBondContact O-N 3.38Å; G103-C426 PolarHBondContact O-SG 2.75Å
104	W	64.1	Low	84.7	Confident	60 Å²	60	27.2 Å²	27.2	23%	0.227	14%	0.142	C	C	.	.	S	Bend	trans	-123.6	168.8	-177	-56.7	101.7	0	0	0	109.4	F76 H101 I196 C426	F76-W104 HydrophobicContact CB-CD2 3.75Å; F76-W104 HydrophobicContact CB-CE3 3.34Å; F76-W104 HydrophobicContact CB-CG 4.28Å; F76-W104 HydrophobicContact CB-CZ3 3.77Å; F76-W104 AromaticContact CD1-CE3 3.73Å; F76-W104 HydrophobicContact CD1-CE3 3.73Å; F76-W104 HydrophobicContact CD1-CH2 4.18Å; F76-W104 AromaticContact CD1-CZ3 3.32Å; F76-W104 HydrophobicContact CD1-CZ3 3.32Å; F76-W104 HydrophobicContact CE1-CZ3 4.21Å; F76-W104 AromaticContact CG-CE3 3.77Å; F76-W104 HydrophobicContact CG-CE3 3.77Å; F76-W104 AromaticContact CG-CZ3 3.87Å; F76-W104 HydrophobicContact CG-CZ3 3.87Å; H101-W104 AromaticContact ND1-CD1 3.58Å; H101-W104 AromaticContact ND1-NE1 3.67Å; W104-I196 HydrophobicContact CB-CG2 4.35Å; W104-I196 WeakPolarHBondContact O-CG2 3.47Å; W104-C426 HydrophobicContact CD2-CB 3.97Å; W104-C426 HydrophobicContact CE3-CB 3.1Å; W104-C426 HydrophobicContact CH2-CB 3.62Å; W104-C426 VanDerWaalsContact CH2-SG 3.54Å; W104-C426 HydrophobicContact CZ2-CB 4.41Å; W104-C426 HydrophobicContact CZ3-CB 2.91Å; W104-C426 WeakPolarHBondContact CZ3-SG 3.31Å
105	S	56.7	Low	84.5	Confident	7 Å²	7	29 Å²	29	5%	0.049	15%	0.154	C	C	.	.			trans	-116.2	164.5	166	74.6	0	0	0	0	110.4	Y194 G195 V388	S105-Y194 WeakPolarHBondContact O-CE1 3.5Å; S105-G195 WeakPolarHBondContact O-CA 3.48Å; S105-V388 WeakPolarHBondContact OG-CB 3.44Å; S105-V388 WeakPolarHBondContact OG-CG1 3.36Å; S105-V388 WeakPolarHBondContact OG-CG2 3.5Å
106	G	62.9	Low	84.3	Confident	9 Å²	9	31.3 Å²	31.3	9%	0.093	17%	0.166	C	C	.	.			trans	73.8	152	-170.6	0	0	0	0	0	112.3	E146 G195 I196	G106-E146 WeakPolarHBondContact CA-OE1 3.36Å; G106-E146 PolarHBondContact N-OE1 3.44Å; G106-G195 CarbonylContact O-C 3.56Å; G106-G195 VanDerWaalsContact O-CA 3.25Å; G106-G195 WeakPolarHBondContact O-CA 3.35Å; G106-I196 WeakPolarHBondContact O-CG1 3.36Å; G106-I196 PolarHBondContact O-N 3.42Å
107	A	77.8	Confident	84.1	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.147	C	C	.	.			trans	-116.4	-178	-178	0	0	0	0	0	112.8	R109 L144 E146 A149 Y194 I196	A107-R109 WeakPolarHBondContact O-CD 3.17Å; A107-R109 PolarHBondContact O-N 2.8Å; A107-R109 PolarHBondContact O-NH1 2.87Å; A107-L144 VanDerWaalsContact CB-O 3.29Å; A107-L144 WeakPolarHBondContact CB-O 3.22Å; A107-E146 HydrophobicContact CB-CG 4.06Å; A107-A149 HydrophobicContact CB-CB 3.49Å; A107-A149 VanDerWaalsContact CB-CB 3.49Å; A107-Y194 CarbonylContact C-O 3.52Å; A107-I196 HydrophobicContact CB-CD1 4.31Å; A107-I196 HydrophobicContact CB-CG1 4.08Å
108	L	90.8	Very high	83.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.			trans	-42	135.7	172.2	-172.5	76.7	0	0	0	112.6	L95 L97 L144 L155 I191 D192 I193 T197 V200	L95-L108 HydrophobicContact CD1-CD2 4.06Å; L97-L108 HydrophobicContact CD2-CD2 4.42Å; L108-L144 HydrophobicContact CB-CB 4.33Å; L108-L144 HydrophobicContact CB-CD2 4.42Å; L108-L144 VanDerWaalsContact O-CB 3.24Å; L108-L144 WeakPolarHBondContact O-CB 3.45Å; L108-L144 PolarHBondContact O-N 3.49Å; L108-L155 HydrophobicContact CD2-CD2 3.67Å; L108-I191 HydrophobicContact CD1-CG2 3.7Å; L108-I191 HydrophobicContact CG-CG2 4.49Å; L108-D192 WeakPolarHBondContact CD1-O 3.48Å; L108-I193 HydrophobicContact CD1-CG1 4.36Å; L108-T197 HydrophobicContact CB-CG2 4.24Å; L108-T197 HydrophobicContact CD1-CG2 4.1Å; L108-T197 PolarHBondContact N-OG1 3.02Å; L108-V200 HydrophobicContact CD1-CG1 3.93Å; L108-V200 HydrophobicContact CD2-CG1 4.49Å
109	R	93.4	Very high	83.6	Confident	28 Å²	28	36.3 Å²	36.3	11%	0.106	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.1	163.1	-57.6	72.2	163.3	116.4	0.9	109.8	A107 K142 A143 D192 Y194	A107-R109 WeakPolarHBondContact O-CD 3.17Å; A107-R109 PolarHBondContact O-N 2.8Å; A107-R109 PolarHBondContact O-NH1 2.87Å; R109-K142 CarbonylContact C-O 3.48Å; R109-K142 VanDerWaalsContact CA-O 3.25Å; R109-K142 WeakPolarHBondContact CA-O 3.46Å; R109-A143 HydrophobicContact CG-CB 4.15Å; R109-D192 HydrophobicContact CB-CB 4.1Å; R109-D192 PolarHBondContact N-O 2.74Å; R109-D192 PolarHBondContact O-N 3.42Å; R109-Y194 VanDerWaalsContact CZ-CE1 3.43Å; R109-Y194 VanDerWaalsContact CZ-CG 3.49Å; R109-Y194 VanDerWaalsContact NH1-CE1 3.26Å; R109-Y194 VanDerWaalsContact NH2-CE1 3.29Å
110	F	95.7	Very high	83.6	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.6	-177.4	65.2	-84.3	0	0	0	111.6	A141 K142 L144 L155 F157 Y167 F177 I190	F110-A141 CarbonylContact O-C 3.45Å; F110-A141 VanDerWaalsContact O-CA 3.28Å; F110-A141 WeakPolarHBondContact O-CA 3.5Å; F110-K142 PolarHBondContact N-O 2.95Å; F110-K142 PolarHBondContact O-N 2.83Å; F110-L144 HydrophobicContact CD1-CB 4.27Å; F110-L144 HydrophobicContact CE1-CB 4.01Å; F110-L144 HydrophobicContact CE1-CD1 4.19Å; F110-L155 HydrophobicContact CB-CD2 4.21Å; F110-L155 HydrophobicContact CD1-CD2 3.57Å; F110-L155 HydrophobicContact CD2-CD2 4.3Å; F110-L155 HydrophobicContact CE1-CD1 4.28Å; F110-L155 HydrophobicContact CE1-CD2 3.95Å; F110-L155 HydrophobicContact CE2-CD1 4.42Å; F110-L155 HydrophobicContact CG-CD2 3.76Å; F110-L155 HydrophobicContact CZ-CD1 4.15Å; F110-L155 HydrophobicContact CZ-CD2 4.46Å; F110-F157 HydrophobicContact CB-CD1 4.33Å; F110-F157 HydrophobicContact CB-CE1 4.03Å; F110-F157 HydrophobicContact CB-CZ 4.23Å; F110-F157 HydrophobicContact CD2-CB 3.92Å; F110-F157 AromaticContact CD2-CD1 3.81Å; F110-F157 HydrophobicContact CD2-CD1 3.81Å; F110-F157 HydrophobicContact CD2-CD2 4.08Å; F110-F157 HydrophobicContact CD2-CE1 4.32Å; F110-F157 AromaticContact CD2-CG 3.67Å; F110-F157 HydrophobicContact CD2-CG 3.67Å; F110-F157 HydrophobicContact CE2-CB 3.93Å; F110-F157 HydrophobicContact CE2-CG 4.21Å; F110-F157 HydrophobicContact CG-CD1 4.33Å; F110-Y167 HydrophobicContact CE2-CD1 4.43Å; F110-Y167 HydrophobicContact CE2-CG 4.08Å; F110-Y167 HydrophobicContact CZ-CD1 4.04Å; F110-Y167 HydrophobicContact CZ-CD2 4.06Å; F110-Y167 AromaticContact CZ-CG 3.72Å; F110-Y167 HydrophobicContact CZ-CG 3.72Å; F110-F177 HydrophobicContact CD2-CE1 4.31Å; F110-F177 HydrophobicContact CD2-CZ 4.36Å; F110-F177 HydrophobicContact CE2-CD1 4.23Å; F110-F177 AromaticContact CE2-CE1 3.57Å; F110-F177 HydrophobicContact CE2-CE1 3.57Å; F110-F177 AromaticContact CE2-CZ 3.95Å; F110-F177 HydrophobicContact CE2-CZ 3.95Å; F110-F177 HydrophobicContact CZ-CE1 4.36Å; F110-I190 CarbonylContact C-O 3.58Å; F110-I190 VanDerWaalsContact CA-O 3.31Å; F110-I190 WeakPolarHBondContact CA-O 3.09Å
111	G	94.5	Very high	83.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-145.4	175.1	0	0	0	0	0	113	W140 F157 A189 I190	G111-W140 CarbonylContact C-O 3.43Å; G111-W140 VanDerWaalsContact CA-O 3.23Å; G111-W140 WeakPolarHBondContact CA-O 3.15Å; G111-F157 WeakPolarHBondContact O-CE2 3.3Å; G111-A189 WeakPolarHBondContact O-CA 3.5Å; G111-I190 PolarHBondContact N-O 3.07Å; G111-I190 PolarHBondContact O-N 3.1Å
112	F	95.8	Very high	83.7	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.1	-173.7	-65.7	-82.5	0	0	0	112.5	V87 V93 W140 F157 A159 V165 L181 L187 W188 I190	V87-F112 HydrophobicContact CB-CE1 4.29Å; V87-F112 HydrophobicContact CG1-CE1 4.28Å; V93-F112 HydrophobicContact CG2-CE1 4.41Å; F112-W140 PolarHBondContact N-O 3.38Å; F112-W140 PolarHBondContact O-N 2.94Å; F112-W140 VanDerWaalsContact O-O 3.09Å; F112-F157 HydrophobicContact CD2-CD2 4.47Å; F112-F157 HydrophobicContact CE1-CD2 4.43Å; F112-F157 HydrophobicContact CE1-CE2 4.15Å; F112-F157 AromaticContact CE2-CD2 3.55Å; F112-F157 HydrophobicContact CE2-CD2 3.55Å; F112-F157 AromaticContact CE2-CE2 3.91Å; F112-F157 HydrophobicContact CE2-CE2 3.91Å; F112-F157 AromaticContact CZ-CD2 3.53Å; F112-F157 HydrophobicContact CZ-CD2 3.53Å; F112-F157 AromaticContact CZ-CE2 3.68Å; F112-F157 HydrophobicContact CZ-CE2 3.68Å; F112-A159 HydrophobicContact CE2-CB 4.36Å; F112-A159 HydrophobicContact CZ-CB 4.48Å; F112-V165 HydrophobicContact CD2-CG1 3.9Å; F112-V165 HydrophobicContact CD2-CG2 4.35Å; F112-V165 HydrophobicContact CE2-CG1 3.53Å; F112-L181 HydrophobicContact CB-CD2 4.03Å; F112-L181 HydrophobicContact CD2-CD1 4.24Å; F112-L187 HydrophobicContact CD1-CB 4.18Å; F112-W188 CarbonylContact C-O 3.54Å; F112-W188 WeakPolarHBondContact CA-O 3.5Å; F112-I190 VanDerWaalsContact C-CD1 3.48Å; F112-I190 VanDerWaalsContact O-CD1 3.27Å; F112-I190 WeakPolarHBondContact O-CD1 3.39Å
113	T	94.5	Very high	84.6	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.4	166.7	176.9	0	0	0	0	109.9	F82 L115 G138 Y139 L187 W188 I190	F82-T113 HydrophobicContact CD1-CG2 4.09Å; F82-T113 HydrophobicContact CE1-CG2 4.27Å; T113-L115 WeakPolarHBondContact CG2-O 3.4Å; T113-L115 PolarHBondContact OG1-N 3.22Å; T113-L115 PolarHBondContact OG1-O 2.95Å; T113-G138 CarbonylContact C-O 3.56Å; T113-G138 WeakPolarHBondContact CA-O 3.03Å; T113-G138 PolarHBondContact OG1-O 2.76Å; T113-Y139 WeakPolarHBondContact OG1-CE1 3.13Å; T113-L187 CarbonylContact O-C 3.53Å; T113-L187 WeakPolarHBondContact O-CA 3.2Å; T113-W188 HydrophobicContact CG2-CB 3.78Å; T113-W188 PolarHBondContact N-O 2.76Å; T113-W188 PolarHBondContact O-N 2.83Å; T113-I190 HydrophobicContact CG2-CD1 4.36Å; T113-I190 HydrophobicContact CG2-CG1 3.96Å
114	S	94	Very high	86	Confident	27 Å²	27	43 Å²	43	19%	0.189	24%	0.235	C	C	.	.	S	Bend	trans	-92.5	-3.7	169	57.1	0	0	0	0	113.3	G138 C185	S114-G138 PolarHBondContact N-O 3.35Å; S114-G138 WeakPolarHBondContact OG-CA 3.16Å; S114-G138 PolarHBondContact OG-O 3.23Å; S114-C185 VanDerWaalsContact CB-SG 3.51Å
115	L	92.7	Very high	87.2	Confident	76 Å²	76	40.7 Å²	40.7	40%	0.398	23%	0.227	S	C	.	.	S	Bend	trans	-94.3	136.4	178.3	-55.6	-177.2	0	0	0	110	T113 P117 Y139	T113-L115 WeakPolarHBondContact CG2-O 3.4Å; T113-L115 PolarHBondContact OG1-N 3.22Å; T113-L115 PolarHBondContact OG1-O 2.95Å; L115-P117 VanDerWaalsContact O-CD 3.31Å; L115-P117 WeakPolarHBondContact O-CD 3.5Å; L115-Y139 HydrophobicContact CD1-CD2 4.45Å; L115-Y139 HydrophobicContact CD1-CE2 3.56Å
116	D	93.8	Very high	88.4	Confident	49 Å²	49	41.8 Å²	41.8	26%	0.262	23%	0.234	S	C	.	.			trans	-67.3	120	178	-168.7	-28.3	0	0	0	109.5	S118 E119 W188	D116-S118 PolarHBondContact O-N 2.99Å; D116-S118 VanDerWaalsContact O-N 3.1Å; D116-S118 VanDerWaalsContact OD1-CB 3.22Å; D116-S118 WeakPolarHBondContact OD1-CB 3.33Å; D116-S118 PolarHBondContact OD1-N 2.8Å; D116-S118 PolarHBondContact OD1-OG 2.87Å; D116-E119 HydrophobicContact CB-CG 4.21Å; D116-E119 PolarHBondContact O-N 2.79Å; D116-E119 VanDerWaalsContact O-N 3.09Å; D116-W188 HydrophobicContact CB-CH2 3.78Å; D116-W188 HydrophobicContact CB-CZ2 3.73Å; D116-W188 HydrophobicContact CB-CZ3 4.44Å; D116-W188 VanDerWaalsContact CG-CZ2 3.48Å
117	P	93.6	Very high	89.1	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.019	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.6	-23.4	177	-22.7	33.2	0	0	0	113.4	T56 F82 L115 E119 L120 W188	T56-P117 WeakPolarHBondContact CB-O 3.42Å; T56-P117 HydrophobicContact CG2-CB 4.16Å; T56-P117 VanDerWaalsContact CG2-O 3.24Å; T56-P117 WeakPolarHBondContact CG2-O 3.3Å; T56-P117 PolarHBondContact OG1-O 2.67Å; F82-P117 HydrophobicContact CB-CB 3.71Å; F82-P117 HydrophobicContact CB-CG 3.47Å; F82-P117 VanDerWaalsContact CB-CG 3.47Å; F82-P117 HydrophobicContact CD1-CB 4.37Å; F82-P117 HydrophobicContact CD1-CG 3.99Å; F82-P117 HydrophobicContact CD2-CB 4.06Å; F82-P117 HydrophobicContact CG-CB 3.79Å; F82-P117 HydrophobicContact CG-CG 3.75Å; L115-P117 VanDerWaalsContact O-CD 3.31Å; L115-P117 WeakPolarHBondContact O-CD 3.5Å; P117-E119 PolarHBondContact O-N 3.17Å; P117-L120 PolarHBondContact O-N 3.19Å; P117-L120 VanDerWaalsContact O-N 3.13Å; P117-W188 VanDerWaalsContact CD-CG 3.43Å; P117-W188 HydrophobicContact CG-CB 3.95Å; P117-W188 HydrophobicContact CG-CD2 4.5Å; P117-W188 HydrophobicContact CG-CG 3.81Å
118	S	90.7	Very high	89.3	Confident	84 Å²	84	45.8 Å²	45.8	59%	0.587	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-69.3	-20.6	179.2	-42.4	0	0	0	0	113	D116	D116-S118 PolarHBondContact O-N 2.99Å; D116-S118 VanDerWaalsContact O-N 3.1Å; D116-S118 VanDerWaalsContact OD1-CB 3.22Å; D116-S118 WeakPolarHBondContact OD1-CB 3.33Å; D116-S118 PolarHBondContact OD1-N 2.8Å; D116-S118 PolarHBondContact OD1-OG 2.87Å
119	E	89.1	Confident	88.4	Confident	162 Å²	162	45.8 Å²	45.8	76%	0.757	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-87.6	-8	174	-61.7	-179.2	175.4	0	0	112.4	D116 P117	D116-E119 HydrophobicContact CB-CG 4.21Å; D116-E119 PolarHBondContact O-N 2.79Å; D116-E119 VanDerWaalsContact O-N 3.09Å; P117-E119 PolarHBondContact O-N 3.17Å
120	L	88.1	Confident	87.5	Confident	21 Å²	21	46.1 Å²	46.1	11%	0.11	25%	0.254	C	S	.	.	S	Bend	trans	-96.3	118.7	-179.7	-176.2	68.3	0	0	0	110.5	T56 F82 P117 D124 I125	T56-L120 HydrophobicContact CG2-CB 3.95Å; T56-L120 HydrophobicContact CG2-CD2 3.98Å; T56-L120 HydrophobicContact CG2-CG 4.15Å; T56-L120 WeakPolarHBondContact CG2-O 3.33Å; T56-L120 PolarHBondContact OG1-O 3.24Å; F82-L120 HydrophobicContact CE2-CD2 4.03Å; F82-L120 HydrophobicContact CZ-CD2 3.94Å; P117-L120 PolarHBondContact O-N 3.19Å; P117-L120 VanDerWaalsContact O-N 3.13Å; L120-D124 HydrophobicContact CD1-CB 3.97Å; L120-I125 HydrophobicContact CD2-CG1 3.88Å; L120-I125 HydrophobicContact CG-CG1 4.27Å
121	E	86	Confident	85.6	Confident	131 Å²	131	48 Å²	48	61%	0.612	27%	0.267	S	S	*	.			trans	-69.6	143.8	174.1	-71.8	-65	162.8	0	0	111.7	T123 D124	E121-T123 PolarHBondContact O-N 3.47Å; E121-T123 VanDerWaalsContact O-N 3.14Å; E121-D124 PolarHBondContact O-N 2.77Å
122	A	82.4	Confident	84.3	Confident	42 Å²	42	50.5 Å²	50.5	35%	0.347	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.1	-178.2	0	0	0	0	0	113.3	D124	A122-D124 VanDerWaalsContact C-N 3.3Å
123	T	82.8	Confident	83.4	Confident	104 Å²	104	50.4 Å²	50.4	64%	0.638	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.7	174.6	50.1	0	0	0	0	113.1	E121	E121-T123 PolarHBondContact O-N 3.47Å; E121-T123 VanDerWaalsContact O-N 3.14Å
124	D	85.9	Confident	82.4	Confident	93 Å²	93	51.6 Å²	51.6	50%	0.497	29%	0.287	S	S	.	.	S	Bend	trans	-93.2	-4.2	-173	-61.8	-8.2	0	0	0	112.2	L120 E121 A122 P126	L120-D124 HydrophobicContact CD1-CB 3.97Å; E121-D124 PolarHBondContact O-N 2.77Å; A122-D124 VanDerWaalsContact C-N 3.3Å; D124-P126 WeakPolarHBondContact O-CD 3.47Å
125	I	89.1	Confident	81.3	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.056	31%	0.308	C	S	.	.			trans	-70.7	117.2	172.5	-58.6	173.7	0	0	0	108.2	T56 R57 I80 F82 L120	T56-I125 HydrophobicContact CG2-CD1 3.76Å; T56-I125 HydrophobicContact CG2-CG1 4.35Å; R57-I125 VanDerWaalsContact C-CD1 3.44Å; R57-I125 WeakPolarHBondContact O-CD1 3.13Å; I80-I125 HydrophobicContact CB-CG2 3.84Å; I80-I125 HydrophobicContact CD1-CG2 3.95Å; I80-I125 HydrophobicContact CG1-CG2 4.36Å; I80-I125 HydrophobicContact CG2-CG2 4.25Å; F82-I125 HydrophobicContact CE2-CD1 4.48Å; L120-I125 HydrophobicContact CD2-CG1 3.88Å; L120-I125 HydrophobicContact CG-CG1 4.27Å
126	P	83.1	Confident	80.6	Confident	29 Å²	29	57.2 Å²	57.2	19%	0.188	31%	0.31	C	S	.	.			trans	-73.4	176.8	-178.2	33.2	-37.2	0	0	0	111.9	I80 D124 D132 L133	I80-P126 HydrophobicContact CD1-CG 4.09Å; I80-P126 WeakPolarHBondContact CD1-O 3.31Å; D124-P126 WeakPolarHBondContact O-CD 3.47Å; P126-D132 HydrophobicContact CB-CB 3.54Å; P126-D132 HydrophobicContact CG-CB 3.74Å; P126-L133 HydrophobicContact CG-CD2 3.56Å; P126-L133 HydrophobicContact CG-CG 3.63Å
127	K	78	Confident	79.8	Confident	62 Å²	62	60.5 Å²	60.5	27%	0.27	33%	0.334	S	S	.	.	S	Bend	trans	-70	-34	-176.4	-169.5	175.5	178.2	-168.6	0	112.3	C77 N78 D428	C77-K127 HydrophobicContact CB-CG 3.91Å; C77-K127 WeakPolarHBondContact SG-CE 3.28Å; N78-K127 PolarHBondContact N-O 2.88Å; N78-K127 WeakPolarHBondContact OD1-CA 3.43Å; K127-D428 IonicContact NZ-OD2 3.9Å; K127-D428 PolarHBondContact NZ-OD2 3.49Å
128	Y	80.4	Confident	79.3	Confident	32 Å²	32	61 Å²	61	13%	0.125	34%	0.339	C	S	.	.			trans	-133.3	142.7	-175.5	-46.9	-70	0	0	0	111.9	F76 C77 C130 D132 Y194	F76-Y128 HydrophobicContact CE2-CE1 4.03Å; C77-Y128 HydrophobicContact CB-CD1 3.87Å; C77-Y128 HydrophobicContact CB-CE1 3.43Å; C77-Y128 VanDerWaalsContact CB-CE1 3.43Å; Y128-C130 WeakPolarHBondContact CB-O 3.42Å; Y128-D132 WeakPolarHBondContact CD2-OD2 3.39Å; Y128-D132 PolarHBondContact N-OD2 3.13Å; Y128-D132 VanDerWaalsContact O-CB 3.26Å; Y128-D132 WeakPolarHBondContact O-CB 3.46Å; Y128-Y194 HydrophobicContact CD1-CD2 4.07Å; Y128-Y194 AromaticContact CD1-CE2 3.59Å; Y128-Y194 HydrophobicContact CD1-CE2 3.59Å; Y128-Y194 HydrophobicContact CE1-CD2 4.47Å; Y128-Y194 AromaticContact CE1-CE2 3.66Å; Y128-Y194 HydrophobicContact CE1-CE2 3.66Å
129	A	72.8	Confident	79.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	I	π-helix	trans	-69.5	-38	169.9	0	0	0	0	0	111.7	I80 L133 V134 D192	I80-A129 HydrophobicContact CD1-CB 4.32Å; I80-A129 HydrophobicContact CG1-CB 4.38Å; A129-L133 HydrophobicContact CB-CD1 4.34Å; A129-L133 WeakPolarHBondContact O-CB 3.21Å; A129-L133 PolarHBondContact O-N 2.63Å; A129-V134 PolarHBondContact O-N 2.78Å; A129-V134 VanDerWaalsContact O-N 3.11Å; A129-D192 HydrophobicContact CB-CB 3.72Å; A129-D192 WeakPolarHBondContact CB-OD2 3.38Å; A129-D192 PolarHBondContact N-OD2 2.86Å
130	C	73.4	Confident	79	Confident	36 Å²	36	51.5 Å²	51.5	24%	0.243	28%	0.284	C	S	.	.	I	π-helix	trans	-116.5	122.2	175.1	-58.8	0	0	0	0	108.7	Y128 V134	Y128-C130 WeakPolarHBondContact CB-O 3.42Å; C130-V134 HydrophobicContact CB-CG2 4.32Å
131	P	55.8	Low	78.9	Confident	42 Å²	42	50.9 Å²	50.9	27%	0.273	28%	0.282	S	S	.	.	I	π-helix	cis	-88.5	-12.3	3.1	34.6	-34.4	0	0	0	115.2	L133 V134 T135	P131-L133 PolarHBondContact O-N 2.97Å; P131-V134 WeakPolarHBondContact O-CG2 3.25Å; P131-V134 PolarHBondContact O-N 3.08Å; P131-T135 HydrophobicContact CB-CG2 4.17Å; P131-T135 WeakPolarHBondContact O-CB 3.41Å; P131-T135 VanDerWaalsContact O-CG2 3.26Å; P131-T135 WeakPolarHBondContact O-CG2 3.04Å; P131-T135 PolarHBondContact O-N 3.35Å; P131-T135 PolarHBondContact O-OG1 3.37Å
132	D	67.9	Low	78.7	Confident	53 Å²	53	46.6 Å²	46.6	28%	0.283	26%	0.261	S	S	.	.	I	π-helix	trans	-63	-40.5	-160.7	-41.4	-25.2	0	0	0	114.7	P126 Y128 T135	P126-D132 HydrophobicContact CB-CB 3.54Å; P126-D132 HydrophobicContact CG-CB 3.74Å; Y128-D132 WeakPolarHBondContact CD2-OD2 3.39Å; Y128-D132 PolarHBondContact N-OD2 3.13Å; Y128-D132 VanDerWaalsContact O-CB 3.26Å; Y128-D132 WeakPolarHBondContact O-CB 3.46Å; D132-T135 PolarHBondContact O-OG1 3.48Å
133	L	76.6	Confident	78.6	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.254	C	S	.	.	I	π-helix	trans	-80.8	-45.5	175.7	-72.3	-177.7	0	0	0	111.9	I80 F82 P126 A129 P131 T135 R136 Y139	I80-L133 HydrophobicContact CD1-CD1 3.77Å; I80-L133 HydrophobicContact CD1-CG 4.21Å; I80-L133 HydrophobicContact CG2-CD1 3.9Å; F82-L133 HydrophobicContact CZ-CD1 4.28Å; P126-L133 HydrophobicContact CG-CD2 3.56Å; P126-L133 HydrophobicContact CG-CG 3.63Å; A129-L133 HydrophobicContact CB-CD1 4.34Å; A129-L133 WeakPolarHBondContact O-CB 3.21Å; A129-L133 PolarHBondContact O-N 2.63Å; P131-L133 PolarHBondContact O-N 2.97Å; L133-T135 PolarHBondContact O-N 3.39Å; L133-T135 VanDerWaalsContact O-N 3.16Å; L133-R136 WeakPolarHBondContact O-CB 3.47Å; L133-R136 PolarHBondContact O-N 3.37Å; L133-Y139 HydrophobicContact CB-CD1 4.18Å; L133-Y139 HydrophobicContact CB-CG 4.16Å; L133-Y139 HydrophobicContact CD1-CD1 4.28Å; L133-Y139 HydrophobicContact CD1-CE1 4.4Å; L133-Y139 HydrophobicContact CD2-CD1 4.3Å; L133-Y139 HydrophobicContact CD2-CE1 4.05Å; L133-Y139 HydrophobicContact CD2-CE2 4.49Å; L133-Y139 WeakPolarHBondContact O-CB 3.22Å
134	V	74.6	Confident	78.6	Confident	26 Å²	26	41 Å²	41	16%	0.158	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.3	-174.4	-62.9	0	0	0	0	114.4	A129 C130 P131 R136 A141	A129-V134 PolarHBondContact O-N 2.78Å; A129-V134 VanDerWaalsContact O-N 3.11Å; C130-V134 HydrophobicContact CB-CG2 4.32Å; P131-V134 WeakPolarHBondContact O-CG2 3.25Å; P131-V134 PolarHBondContact O-N 3.08Å; V134-R136 VanDerWaalsContact C-N 3.3Å; V134-A141 HydrophobicContact CG1-CB 3.68Å
135	T	71.3	Confident	78.2	Confident	104 Å²	104	37.5 Å²	37.5	64%	0.638	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-15.1	170.7	48.4	0	0	0	0	112.8	P131 D132 L133	P131-T135 HydrophobicContact CB-CG2 4.17Å; P131-T135 WeakPolarHBondContact O-CB 3.41Å; P131-T135 VanDerWaalsContact O-CG2 3.26Å; P131-T135 WeakPolarHBondContact O-CG2 3.04Å; P131-T135 PolarHBondContact O-N 3.35Å; P131-T135 PolarHBondContact O-OG1 3.37Å; D132-T135 PolarHBondContact O-OG1 3.48Å; L133-T135 PolarHBondContact O-N 3.39Å; L133-T135 VanDerWaalsContact O-N 3.16Å
136	R	77.4	Confident	77.6	Confident	116 Å²	116	39 Å²	39	44%	0.438	21%	0.214	S	C	.	.	S	Bend	trans	-89.9	144.4	176	-58.3	172.9	71	162	-0	109.8	L133 V134 Y139	L133-R136 WeakPolarHBondContact O-CB 3.47Å; L133-R136 PolarHBondContact O-N 3.37Å; V134-R136 VanDerWaalsContact C-N 3.3Å; R136-Y139 HydrophobicContact CB-CD2 3.8Å; R136-Y139 HydrophobicContact CB-CE2 4.05Å
137	P	76.6	Confident	77.1	Confident	118 Å²	118	43.2 Å²	43.2	77%	0.766	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	142.1	176.9	27	-34.3	0	0	0	110.9
138	G	83.3	Confident	77.3	Confident	13 Å²	13	42.1 Å²	42.1	13%	0.134	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	4.2	177.3	0	0	0	0	0	115.5	T113 S114 W140	T113-G138 CarbonylContact C-O 3.56Å; T113-G138 WeakPolarHBondContact CA-O 3.03Å; T113-G138 PolarHBondContact OG1-O 2.76Å; S114-G138 PolarHBondContact N-O 3.35Å; S114-G138 WeakPolarHBondContact OG-CA 3.16Å; S114-G138 PolarHBondContact OG-O 3.23Å; G138-W140 VanDerWaalsContact O-CZ3 3.23Å; G138-W140 WeakPolarHBondContact O-CZ3 3.31Å
139	Y	86.5	Confident	77.5	Confident	11 Å²	11	40.8 Å²	40.8	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.7	176	-61.3	-88.9	0	0	0	111.5	F82 T113 L115 L133 R136 I190	F82-Y139 HydrophobicContact CE1-CE1 4.42Å; T113-Y139 WeakPolarHBondContact OG1-CE1 3.13Å; L115-Y139 HydrophobicContact CD1-CD2 4.45Å; L115-Y139 HydrophobicContact CD1-CE2 3.56Å; L133-Y139 HydrophobicContact CB-CD1 4.18Å; L133-Y139 HydrophobicContact CB-CG 4.16Å; L133-Y139 HydrophobicContact CD1-CD1 4.28Å; L133-Y139 HydrophobicContact CD1-CE1 4.4Å; L133-Y139 HydrophobicContact CD2-CD1 4.3Å; L133-Y139 HydrophobicContact CD2-CE1 4.05Å; L133-Y139 HydrophobicContact CD2-CE2 4.49Å; L133-Y139 WeakPolarHBondContact O-CB 3.22Å; R136-Y139 HydrophobicContact CB-CD2 3.8Å; R136-Y139 HydrophobicContact CB-CE2 4.05Å; Y139-I190 HydrophobicContact CD1-CD1 3.77Å
140	W	86.3	Confident	78.1	Confident	37 Å²	37	45.4 Å²	45.4	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	117.5	177.4	-56.8	-83.1	0	0	0	109.1	G111 F112 G138 H178 L181 L187	G111-W140 CarbonylContact C-O 3.43Å; G111-W140 VanDerWaalsContact CA-O 3.23Å; G111-W140 WeakPolarHBondContact CA-O 3.15Å; F112-W140 PolarHBondContact N-O 3.38Å; F112-W140 PolarHBondContact O-N 2.94Å; F112-W140 VanDerWaalsContact O-O 3.09Å; G138-W140 VanDerWaalsContact O-CZ3 3.23Å; G138-W140 WeakPolarHBondContact O-CZ3 3.31Å; W140-H178 AromaticContact CD1-CD2 3.85Å; W140-H178 AromaticContact CD1-CE1 3.57Å; W140-H178 AromaticContact CD1-NE2 3.04Å; W140-H178 AromaticContact CG-NE2 3.73Å; W140-H178 AromaticContact NE1-NE2 3.55Å; W140-L181 HydrophobicContact CB-CD2 4.36Å; W140-L181 HydrophobicContact CD2-CD2 3.52Å; W140-L181 HydrophobicContact CE3-CD2 3.28Å; W140-L181 HydrophobicContact CG-CD2 4.01Å; W140-L181 HydrophobicContact CH2-CD2 4.38Å; W140-L181 HydrophobicContact CZ3-CD2 3.75Å; W140-L187 HydrophobicContact CZ3-CD2 4.38Å
141	A	86.7	Confident	79.1	Confident	7 Å²	7	49.7 Å²	49.7	6%	0.058	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.7	178.5	0	0	0	0	0	111.4	F110 V134	F110-A141 CarbonylContact O-C 3.45Å; F110-A141 VanDerWaalsContact O-CA 3.28Å; F110-A141 WeakPolarHBondContact O-CA 3.5Å; V134-A141 HydrophobicContact CG1-CB 3.68Å
142	K	80.9	Confident	80.8	Confident	42 Å²	42	51.2 Å²	51.2	18%	0.183	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.2	178.3	-177.8	178.4	175.3	-176.4	0	110.5	R109 F110 F177 N237	R109-K142 CarbonylContact C-O 3.48Å; R109-K142 VanDerWaalsContact CA-O 3.25Å; R109-K142 WeakPolarHBondContact CA-O 3.46Å; F110-K142 PolarHBondContact N-O 2.95Å; F110-K142 PolarHBondContact O-N 2.83Å; K142-F177 HydrophobicContact CB-CD2 3.73Å; K142-F177 HydrophobicContact CB-CE2 3.65Å; K142-F177 HydrophobicContact CB-CZ 4.46Å; K142-F177 HydrophobicContact CD-CB 3.76Å; K142-F177 HydrophobicContact CD-CD2 3.52Å; K142-F177 HydrophobicContact CD-CE2 4.31Å; K142-F177 HydrophobicContact CD-CG 3.84Å; K142-F177 HydrophobicContact CG-CD2 4.24Å; K142-N237 VanDerWaalsContact NZ-CG 3.33Å; K142-N237 PolarHBondContact NZ-ND2 3.39Å
143	A	81.2	Confident	82.1	Confident	25 Å²	25	49.8 Å²	49.8	21%	0.207	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.3	169.9	0	0	0	0	0	111.7	R109	R109-A143 HydrophobicContact CG-CB 4.15Å
144	L	83.7	Confident	83	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-67.9	131.5	163	-177.2	67.8	0	0	0	107.9	L97 A107 L108 F110 E146 L148 A149 L155 I169	L97-L144 HydrophobicContact CD1-CD2 4.17Å; A107-L144 VanDerWaalsContact CB-O 3.29Å; A107-L144 WeakPolarHBondContact CB-O 3.22Å; L108-L144 HydrophobicContact CB-CB 4.33Å; L108-L144 HydrophobicContact CB-CD2 4.42Å; L108-L144 VanDerWaalsContact O-CB 3.24Å; L108-L144 WeakPolarHBondContact O-CB 3.45Å; L108-L144 PolarHBondContact O-N 3.49Å; F110-L144 HydrophobicContact CD1-CB 4.27Å; F110-L144 HydrophobicContact CE1-CB 4.01Å; F110-L144 HydrophobicContact CE1-CD1 4.19Å; L144-E146 PolarHBondContact O-N 3.21Å; L144-L148 HydrophobicContact CD1-CB 4.06Å; L144-L148 HydrophobicContact CD1-CD1 4.4Å; L144-L148 HydrophobicContact CG-CB 4.21Å; L144-A149 HydrophobicContact CD2-CB 4.05Å; L144-L155 HydrophobicContact CD1-CD1 4.23Å; L144-I169 HydrophobicContact CD1-CD1 3.76Å
145	P	76.8	Confident	84	Confident	21 Å²	21	49.9 Å²	49.9	14%	0.136	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-55.5	134.3	172.9	-26.1	33.8	0	0	0	111.5	R147 L148 A149	P145-R147 VanDerWaalsContact C-N 3.25Å; P145-R147 HydrophobicContact CB-CG 4.27Å; P145-R147 PolarHBondContact O-N 3.24Å; P145-L148 HydrophobicContact CB-CD1 4.12Å; P145-L148 HydrophobicContact CB-CG 4.2Å; P145-L148 HydrophobicContact CG-CD1 3.95Å; P145-L148 WeakPolarHBondContact O-CA 3.42Å; P145-L148 WeakPolarHBondContact O-CB 3.37Å; P145-L148 PolarHBondContact O-N 3.34Å; P145-A149 PolarHBondContact O-N 3.47Å
146	E	76.1	Confident	85.3	Confident	43 Å²	43	45 Å²	45	20%	0.201	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56.2	-39.4	-174.3	-69.8	-175.2	-167.7	0	0	113.1	G106 A107 L144 L148 A149 I196	G106-E146 WeakPolarHBondContact CA-OE1 3.36Å; G106-E146 PolarHBondContact N-OE1 3.44Å; A107-E146 HydrophobicContact CB-CG 4.06Å; L144-E146 PolarHBondContact O-N 3.21Å; E146-L148 PolarHBondContact O-N 2.67Å; E146-A149 WeakPolarHBondContact O-CB 3.49Å; E146-A149 PolarHBondContact O-N 3.47Å; E146-I196 HydrophobicContact CB-CD1 4.17Å; E146-I196 HydrophobicContact CG-CD1 4.41Å
147	R	73.5	Confident	86.2	Confident	116 Å²	116	39.4 Å²	39.4	44%	0.438	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.4	-20	175.8	69.5	-177.3	178.3	-79.8	-13.7	114	P145 I150 E241	P145-R147 VanDerWaalsContact C-N 3.25Å; P145-R147 HydrophobicContact CB-CG 4.27Å; P145-R147 PolarHBondContact O-N 3.24Å; R147-I150 VanDerWaalsContact O-CD1 3.3Å; R147-I150 WeakPolarHBondContact O-CD1 3.5Å; R147-I150 WeakPolarHBondContact O-CG1 3.43Å; R147-E241 IonicContact CZ-OE1 2.81Å; R147-E241 IonicContact CZ-OE2 2.92Å; R147-E241 IonicContact NE-OE1 3.8Å; R147-E241 IonicContact NH2-OE1 3.78Å; R147-E241 PolarHBondContact NH2-OE1 3.13Å; R147-E241 IonicContact NH2-OE2 3.93Å; R147-E241 PolarHBondContact NH2-OE2 3.14Å
148	L	81.4	Confident	87.1	Confident	40 Å²	40	34 Å²	34	21%	0.209	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-97.7	-13.2	178.2	-56.1	178.5	0	0	0	112.1	L144 P145 E146 I150 N153 I169	L144-L148 HydrophobicContact CD1-CB 4.06Å; L144-L148 HydrophobicContact CD1-CD1 4.4Å; L144-L148 HydrophobicContact CG-CB 4.21Å; P145-L148 HydrophobicContact CB-CD1 4.12Å; P145-L148 HydrophobicContact CB-CG 4.2Å; P145-L148 HydrophobicContact CG-CD1 3.95Å; P145-L148 WeakPolarHBondContact O-CA 3.42Å; P145-L148 WeakPolarHBondContact O-CB 3.37Å; P145-L148 PolarHBondContact O-N 3.34Å; E146-L148 PolarHBondContact O-N 2.67Å; L148-I150 PolarHBondContact O-N 3.2Å; L148-N153 PolarHBondContact O-ND2 3.01Å; L148-I169 HydrophobicContact CB-CG1 4.4Å; L148-I169 HydrophobicContact CD1-CG1 4.01Å
149	A	84.6	Confident	87.5	Confident	3 Å²	3	33.5 Å²	33.5	3%	0.025	16%	0.162	C	C	.	.			trans	-82.5	54.4	177	0	0	0	0	0	111.3	V100 A107 L144 P145 E146 I196	V100-A149 VanDerWaalsContact CG1-O 3.25Å; V100-A149 WeakPolarHBondContact CG1-O 3.47Å; V100-A149 WeakPolarHBondContact CG2-O 3.18Å; A107-A149 HydrophobicContact CB-CB 3.49Å; A107-A149 VanDerWaalsContact CB-CB 3.49Å; L144-A149 HydrophobicContact CD2-CB 4.05Å; P145-A149 PolarHBondContact O-N 3.47Å; E146-A149 WeakPolarHBondContact O-CB 3.49Å; E146-A149 PolarHBondContact O-N 3.47Å; A149-I196 HydrophobicContact CB-CD1 3.83Å; A149-I196 HydrophobicContact CB-CG1 4.17Å
150	I	86.4	Confident	87.6	Confident	97 Å²	97	33.1 Å²	33.1	50%	0.497	16%	0.16	S	C	.	.			trans	-91.7	145.7	177.8	-56.2	172.8	0	0	0	108.5	L97 R147 L148 D152 N153	L97-I150 WeakPolarHBondContact CB-O 3.48Å; R147-I150 VanDerWaalsContact O-CD1 3.3Å; R147-I150 WeakPolarHBondContact O-CD1 3.5Å; R147-I150 WeakPolarHBondContact O-CG1 3.43Å; L148-I150 PolarHBondContact O-N 3.2Å; I150-D152 PolarHBondContact O-N 3.44Å; I150-N153 WeakPolarHBondContact O-CB 3.35Å; I150-N153 PolarHBondContact O-N 2.87Å; I150-N153 VanDerWaalsContact O-N 3.16Å
151	K	92.8	Very high	87.6	Confident	127 Å²	127	37.8 Å²	37.8	55%	0.552	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	139.1	172.8	-171.9	-175.5	173	-176.3	0	110	L97 T98 V100 N153	L97-K151 CarbonylContact O-C 3.59Å; L97-K151 WeakPolarHBondContact O-CA 3.36Å; T98-K151 WeakPolarHBondContact O-CE 3.28Å; V100-K151 HydrophobicContact CG2-CB 4.33Å; K151-N153 PolarHBondContact O-N 2.83Å
152	D	92.9	Very high	87.4	Confident	73 Å²	73	42.2 Å²	42.2	39%	0.39	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-4.5	-177.5	-62.2	-59.4	0	0	0	116.5	R96 L97 I150	R96-D152 IonicContact CZ-OD1 2.86Å; R96-D152 VanDerWaalsContact CZ-OD1 3.3Å; R96-D152 IonicContact NE-OD1 2.72Å; R96-D152 PolarHBondContact NE-OD1 3.33Å; R96-D152 IonicContact NH2-OD1 3.4Å; R96-D152 PolarHBondContact NH2-OD1 3.36Å; L97-D152 PolarHBondContact O-N 3.44Å; I150-D152 PolarHBondContact O-N 3.44Å
153	N	94.1	Very high	87.3	Confident	24 Å²	24	40.3 Å²	40.3	13%	0.128	19%	0.189	C	C	.	.			trans	-62.3	143.1	168.8	-84.6	-2.3	0	0	0	111	L97 L148 I150 K151 I169 N170	L97-N153 HydrophobicContact CD1-CB 3.69Å; L97-N153 PolarHBondContact N-O 2.83Å; L148-N153 PolarHBondContact O-ND2 3.01Å; I150-N153 WeakPolarHBondContact O-CB 3.35Å; I150-N153 PolarHBondContact O-N 2.87Å; I150-N153 VanDerWaalsContact O-N 3.16Å; K151-N153 PolarHBondContact O-N 2.83Å; N153-I169 HydrophobicContact CB-CG2 4.32Å; N153-N170 WeakPolarHBondContact CA-OD1 3.25Å; N153-N170 PolarHBondContact OD1-ND2 3.35Å
154	M	96	Very high	87.4	Confident	29 Å²	29	40.9 Å²	40.9	14%	0.143	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.1	177.8	-179.1	170.2	56.1	0	0	110.1	R94 L95 I169 N170 D171 L203	R94-M154 PolarHBondContact NH2-SD 3.33Å; L95-M154 CarbonylContact O-C 3.55Å; L95-M154 VanDerWaalsContact O-CA 3.29Å; L95-M154 WeakPolarHBondContact O-CA 3.45Å; M154-I169 CarbonylContact O-C 3.49Å; M154-I169 WeakPolarHBondContact O-CA 3.3Å; M154-N170 PolarHBondContact N-OD1 3.09Å; M154-N170 PolarHBondContact O-N 2.83Å; M154-D171 VanDerWaalsContact CE-CG 3.49Å; M154-D171 WeakPolarHBondContact CE-OD2 3.34Å; M154-L203 HydrophobicContact CG-CD1 4.05Å; M154-L203 HydrophobicContact SD-CD1 3.44Å; M154-L203 WeakPolarHBondContact SD-CD1 3.45Å
155	L	96.4	Very high	87.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.5	170.3	170.4	64.4	0	0	0	109.2	R94 L95 L108 F110 L144 F157 Y167 I169	R94-L155 CarbonylContact C-O 3.51Å; R94-L155 WeakPolarHBondContact CA-O 3.16Å; L95-L155 HydrophobicContact CB-CB 4.46Å; L95-L155 HydrophobicContact CD1-CD2 4.31Å; L95-L155 PolarHBondContact N-O 3.36Å; L95-L155 PolarHBondContact O-N 3.2Å; L108-L155 HydrophobicContact CD2-CD2 3.67Å; F110-L155 HydrophobicContact CB-CD2 4.21Å; F110-L155 HydrophobicContact CD1-CD2 3.57Å; F110-L155 HydrophobicContact CD2-CD2 4.3Å; F110-L155 HydrophobicContact CE1-CD1 4.28Å; F110-L155 HydrophobicContact CE1-CD2 3.95Å; F110-L155 HydrophobicContact CE2-CD1 4.42Å; F110-L155 HydrophobicContact CG-CD2 3.76Å; F110-L155 HydrophobicContact CZ-CD1 4.15Å; F110-L155 HydrophobicContact CZ-CD2 4.46Å; L144-L155 HydrophobicContact CD1-CD1 4.23Å; L155-F157 HydrophobicContact CD2-CD1 4.36Å; L155-F157 HydrophobicContact CG-CD1 4.24Å; L155-Y167 HydrophobicContact CD1-CD2 3.78Å; L155-Y167 HydrophobicContact CD1-CG 4.3Å; L155-I169 HydrophobicContact CB-CD1 4.16Å; L155-I169 HydrophobicContact CD1-CD1 3.7Å
156	S	96.9	Very high	87.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.9	169.6	-60.3	0	0	0	0	109.4	V93 Y167 S168	V93-S156 CarbonylContact O-C 3.56Å; V93-S156 VanDerWaalsContact O-CA 3.32Å; V93-S156 WeakPolarHBondContact O-CA 3.43Å; S156-Y167 CarbonylContact O-C 3.58Å; S156-Y167 WeakPolarHBondContact O-CA 3.24Å; S156-Y167 WeakPolarHBondContact O-CB 3.3Å; S156-S168 PolarHBondContact N-O 3.5Å; S156-S168 PolarHBondContact O-N 2.85Å
157	F	96.4	Very high	88.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.1	175.1	65.6	-84.5	0	0	0	112.1	V93 L95 F110 G111 F112 L155 F166 A189 I191	V93-F157 HydrophobicContact CB-CD1 4.08Å; V93-F157 HydrophobicContact CB-CD2 4.26Å; V93-F157 HydrophobicContact CB-CE1 3.67Å; V93-F157 HydrophobicContact CB-CE2 3.86Å; V93-F157 HydrophobicContact CB-CG 4.37Å; V93-F157 HydrophobicContact CB-CZ 3.57Å; V93-F157 HydrophobicContact CG1-CD1 4.38Å; V93-F157 HydrophobicContact CG1-CE1 3.54Å; V93-F157 HydrophobicContact CG1-CE2 4.21Å; V93-F157 HydrophobicContact CG1-CZ 3.45Å; V93-F157 VanDerWaalsContact CG1-CZ 3.45Å; V93-F157 HydrophobicContact CG2-CD2 4.49Å; V93-F157 HydrophobicContact CG2-CE2 3.98Å; V93-F157 HydrophobicContact CG2-CZ 4.07Å; V93-F157 PolarHBondContact N-O 3.42Å; V93-F157 PolarHBondContact O-N 3.17Å; L95-F157 HydrophobicContact CD1-CE1 3.8Å; L95-F157 HydrophobicContact CG-CE1 4.4Å; F110-F157 HydrophobicContact CB-CD1 4.33Å; F110-F157 HydrophobicContact CB-CE1 4.03Å; F110-F157 HydrophobicContact CB-CZ 4.23Å; F110-F157 HydrophobicContact CD2-CB 3.92Å; F110-F157 AromaticContact CD2-CD1 3.81Å; F110-F157 HydrophobicContact CD2-CD1 3.81Å; F110-F157 HydrophobicContact CD2-CD2 4.08Å; F110-F157 HydrophobicContact CD2-CE1 4.32Å; F110-F157 AromaticContact CD2-CG 3.67Å; F110-F157 HydrophobicContact CD2-CG 3.67Å; F110-F157 HydrophobicContact CE2-CB 3.93Å; F110-F157 HydrophobicContact CE2-CG 4.21Å; F110-F157 HydrophobicContact CG-CD1 4.33Å; G111-F157 WeakPolarHBondContact O-CE2 3.3Å; F112-F157 HydrophobicContact CD2-CD2 4.47Å; F112-F157 HydrophobicContact CE1-CD2 4.43Å; F112-F157 HydrophobicContact CE1-CE2 4.15Å; F112-F157 AromaticContact CE2-CD2 3.55Å; F112-F157 HydrophobicContact CE2-CD2 3.55Å; F112-F157 AromaticContact CE2-CE2 3.91Å; F112-F157 HydrophobicContact CE2-CE2 3.91Å; F112-F157 AromaticContact CZ-CD2 3.53Å; F112-F157 HydrophobicContact CZ-CD2 3.53Å; F112-F157 AromaticContact CZ-CE2 3.68Å; F112-F157 HydrophobicContact CZ-CE2 3.68Å; L155-F157 HydrophobicContact CD2-CD1 4.36Å; L155-F157 HydrophobicContact CG-CD1 4.24Å; F157-F166 CarbonylContact C-O 3.6Å; F157-F166 WeakPolarHBondContact CA-O 3.33Å; F157-F166 WeakPolarHBondContact CB-O 3.08Å; F157-A189 HydrophobicContact CE2-CB 4.26Å; F157-A189 HydrophobicContact CZ-CB 4.12Å; F157-I191 HydrophobicContact CZ-CG1 4.38Å
158	W	95.8	Very high	89.6	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	157.7	-175	65	97.9	0	0	0	112	E91 K92 V165 F166 P174 A208	E91-W158 WeakPolarHBondContact O-CB 3.29Å; K92-W158 HydrophobicContact CD-CE3 4.06Å; K92-W158 HydrophobicContact CD-CZ3 4.27Å; K92-W158 HydrophobicContact CG-CB 4.27Å; K92-W158 HydrophobicContact CG-CD2 4.05Å; K92-W158 HydrophobicContact CG-CE3 3.76Å; K92-W158 HydrophobicContact CG-CG 4.3Å; K92-W158 HydrophobicContact CG-CZ3 4.46Å; W158-V165 WeakPolarHBondContact O-CA 3.31Å; W158-V165 WeakPolarHBondContact O-CG1 3.31Å; W158-F166 HydrophobicContact CD2-CB 4.03Å; W158-F166 HydrophobicContact CE3-CB 4.43Å; W158-F166 HydrophobicContact CH2-CB 3.99Å; W158-F166 HydrophobicContact CZ2-CB 3.55Å; W158-F166 HydrophobicContact CZ2-CG 4.22Å; W158-F166 HydrophobicContact CZ3-CB 4.41Å; W158-F166 PolarHBondContact N-O 2.85Å; W158-F166 AromaticContact NE1-CD2 3.79Å; W158-F166 PolarHBondContact O-N 2.77Å; W158-P174 HydrophobicContact CH2-CB 3.72Å; W158-P174 HydrophobicContact CH2-CG 3.89Å; W158-P174 HydrophobicContact CZ2-CB 3.73Å; W158-P174 HydrophobicContact CZ2-CG 3.93Å; W158-A208 HydrophobicContact CD2-CB 3.99Å; W158-A208 HydrophobicContact CG-CB 4Å; W158-A208 HydrophobicContact CZ2-CB 4.2Å
159	A	92.5	Very high	90	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.8	173	0	0	0	0	0	111.1	L89 Y90 F112 R164 L181 L187	L89-A159 HydrophobicContact CD2-CB 4.23Å; Y90-A159 PolarHBondContact N-O 2.88Å; F112-A159 HydrophobicContact CE2-CB 4.36Å; F112-A159 HydrophobicContact CZ-CB 4.48Å; A159-R164 CarbonylContact C-O 3.48Å; A159-R164 VanDerWaalsContact CA-O 3.3Å; A159-R164 WeakPolarHBondContact CA-O 3.44Å; A159-L181 HydrophobicContact CB-CD1 3.5Å; A159-L187 HydrophobicContact CB-CD1 4.19Å
160	D	87.3	Confident	90.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	17%	0.169	C	C	.	.			trans	-107	172.7	175.4	90.1	-21.1	0	0	0	113.1	Y90 H162 G163 R164 F166	Y90-D160 HydrophobicContact CD1-CB 4.33Å; Y90-D160 HydrophobicContact CE1-CB 3.64Å; D160-H162 PolarHBondContact O-N 2.9Å; D160-H162 WeakPolarHBondContact OD1-CA 3.35Å; D160-H162 WeakPolarHBondContact OD1-CB 3.24Å; D160-H162 PolarHBondContact OD1-N 3.26Å; D160-H162 IonicContact OD1-ND1 2.77Å; D160-H162 IonicContact OD2-CE1 3.81Å; D160-H162 IonicContact OD2-CG 3.53Å; D160-H162 IonicContact OD2-ND1 3.93Å; D160-H162 PolarHBondContact OD2-ND1 3.03Å; D160-G163 PolarHBondContact O-N 2.93Å; D160-G163 PolarHBondContact OD1-N 2.73Å; D160-R164 PolarHBondContact N-O 2.9Å; D160-R164 VanDerWaalsContact OD1-CB 3.27Å; D160-R164 WeakPolarHBondContact OD1-CB 3.46Å; D160-R164 PolarHBondContact OD1-N 2.97Å; D160-R164 IonicContact OD1-NE 2.83Å; D160-R164 IonicContact OD2-CZ 3.74Å; D160-R164 IonicContact OD2-NE 3.36Å; D160-R164 PolarHBondContact OD2-NE 2.78Å; D160-R164 IonicContact OD2-NH2 2.83Å; D160-R164 PolarHBondContact OD2-NH2 2.9Å; D160-F166 HydrophobicContact CB-CE2 4.19Å
161	R	86.9	Confident	90.5	Very high	135 Å²	135	35.6 Å²	35.6	51%	0.509	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-3.6	178.2	81.6	-175.1	178.3	-96.6	1.1	115.7	L89 Y90 I183	L89-R161 HydrophobicContact CD1-CB 4.31Å; Y90-R161 HydrophobicContact CE2-CB 4.12Å; Y90-R161 WeakPolarHBondContact OH-CB 3.49Å; Y90-R161 WeakPolarHBondContact OH-CD 3.41Å; Y90-R161 WeakPolarHBondContact OH-CG 3.24Å; Y90-R161 PolarHBondContact OH-N 3.1Å; Y90-R161 PolarHBondContact OH-NH1 2.8Å; R161-I183 WeakPolarHBondContact O-CD1 3.39Å
162	H	82.6	Confident	90.1	Very high	101 Å²	101	31.3 Å²	31.3	47%	0.468	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	8.6	176.2	-48.2	98.5	0	0	0	111	D160 R164	D160-H162 PolarHBondContact O-N 2.9Å; D160-H162 WeakPolarHBondContact OD1-CA 3.35Å; D160-H162 WeakPolarHBondContact OD1-CB 3.24Å; D160-H162 PolarHBondContact OD1-N 3.26Å; D160-H162 IonicContact OD1-ND1 2.77Å; D160-H162 IonicContact OD2-CE1 3.81Å; D160-H162 IonicContact OD2-CG 3.53Å; D160-H162 IonicContact OD2-ND1 3.93Å; D160-H162 PolarHBondContact OD2-ND1 3.03Å; H162-R164 VanDerWaalsContact C-N 3.31Å; H162-R164 HydrophobicContact CB-CG 4.22Å
163	G	78.5	Confident	89.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	71.9	25.4	-177.5	0	0	0	0	0	113.5	D160 C179 G180 L181 I183	D160-G163 PolarHBondContact O-N 2.93Å; D160-G163 PolarHBondContact OD1-N 2.73Å; G163-C179 CarbonylContact O-C 3.59Å; G163-G180 PolarHBondContact O-N 3.19Å; G163-L181 PolarHBondContact O-N 3.13Å; G163-I183 VanDerWaalsContact CA-CG2 3.48Å
164	R	82.8	Confident	89	Confident	38 Å²	38	36.5 Å²	36.5	14%	0.143	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.1	175.2	-56.4	-179.3	-63.3	176.8	5.2	110.1	A159 D160 H162 F166 L176 H178 L216	A159-R164 CarbonylContact C-O 3.48Å; A159-R164 VanDerWaalsContact CA-O 3.3Å; A159-R164 WeakPolarHBondContact CA-O 3.44Å; D160-R164 PolarHBondContact N-O 2.9Å; D160-R164 VanDerWaalsContact OD1-CB 3.27Å; D160-R164 WeakPolarHBondContact OD1-CB 3.46Å; D160-R164 PolarHBondContact OD1-N 2.97Å; D160-R164 IonicContact OD1-NE 2.83Å; D160-R164 IonicContact OD2-CZ 3.74Å; D160-R164 IonicContact OD2-NE 3.36Å; D160-R164 PolarHBondContact OD2-NE 2.78Å; D160-R164 IonicContact OD2-NH2 2.83Å; D160-R164 PolarHBondContact OD2-NH2 2.9Å; H162-R164 VanDerWaalsContact C-N 3.31Å; H162-R164 HydrophobicContact CB-CG 4.22Å; R164-F166 HydrophobicContact CB-CE2 3.67Å; R164-F166 HydrophobicContact CB-CZ 4.02Å; R164-L176 HydrophobicContact CB-CD1 3.8Å; R164-L176 HydrophobicContact CG-CD1 4.43Å; R164-H178 CarbonylContact C-O 3.6Å; R164-H178 WeakPolarHBondContact CA-O 3.3Å; R164-L216 VanDerWaalsContact NH1-CD1 3.31Å
165	V	85.3	Confident	88.2	Confident	1 Å²	1	38 Å²	38	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.8	178.6	-160.4	0	0	0	0	110.9	F112 W158 L176 F177 H178 L181	F112-V165 HydrophobicContact CD2-CG1 3.9Å; F112-V165 HydrophobicContact CD2-CG2 4.35Å; F112-V165 HydrophobicContact CE2-CG1 3.53Å; W158-V165 WeakPolarHBondContact O-CA 3.31Å; W158-V165 WeakPolarHBondContact O-CG1 3.31Å; V165-L176 WeakPolarHBondContact O-CD1 3.43Å; V165-F177 HydrophobicContact CB-CD1 4.04Å; V165-F177 HydrophobicContact CB-CE1 3.63Å; V165-F177 HydrophobicContact CB-CE2 4.48Å; V165-F177 HydrophobicContact CB-CZ 3.87Å; V165-F177 HydrophobicContact CG1-CD1 3.98Å; V165-F177 HydrophobicContact CG1-CE1 3.16Å; V165-F177 HydrophobicContact CG1-CZ 3.5Å; V165-F177 WeakPolarHBondContact O-CD1 3.28Å; V165-F177 PolarHBondContact O-N 2.75Å; V165-H178 HydrophobicContact CB-CB 3.99Å; V165-H178 HydrophobicContact CG2-CB 3.88Å; V165-H178 PolarHBondContact N-O 3.13Å; V165-H178 PolarHBondContact O-N 2.87Å; V165-L181 HydrophobicContact CG2-CD1 3.17Å; V165-L181 HydrophobicContact CG2-CG 3.74Å
166	F	87.4	Confident	87.2	Confident	1 Å²	1	39 Å²	39	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.9	178	-58.4	-91.3	0	0	0	110.3	F157 W158 D160 R164 P174 I175 L176	F157-F166 CarbonylContact C-O 3.6Å; F157-F166 WeakPolarHBondContact CA-O 3.33Å; F157-F166 WeakPolarHBondContact CB-O 3.08Å; W158-F166 HydrophobicContact CD2-CB 4.03Å; W158-F166 HydrophobicContact CE3-CB 4.43Å; W158-F166 HydrophobicContact CH2-CB 3.99Å; W158-F166 HydrophobicContact CZ2-CB 3.55Å; W158-F166 HydrophobicContact CZ2-CG 4.22Å; W158-F166 HydrophobicContact CZ3-CB 4.41Å; W158-F166 PolarHBondContact N-O 2.85Å; W158-F166 AromaticContact NE1-CD2 3.79Å; W158-F166 PolarHBondContact O-N 2.77Å; D160-F166 HydrophobicContact CB-CE2 4.19Å; R164-F166 HydrophobicContact CB-CE2 3.67Å; R164-F166 HydrophobicContact CB-CZ 4.02Å; F166-P174 HydrophobicContact CB-CB 4.48Å; F166-P174 HydrophobicContact CD1-CB 4.27Å; F166-I175 CarbonylContact C-O 3.55Å; F166-I175 VanDerWaalsContact CA-O 3.24Å; F166-I175 WeakPolarHBondContact CA-O 3.45Å; F166-L176 HydrophobicContact CD1-CB 3.94Å; F166-L176 HydrophobicContact CD1-CD1 4.23Å; F166-L176 HydrophobicContact CE1-CB 3.75Å; F166-L176 HydrophobicContact CE1-CD1 3.86Å; F166-L176 HydrophobicContact CE1-CG 4.29Å; F166-L176 HydrophobicContact CE2-CD1 4.44Å; F166-L176 HydrophobicContact CZ-CD1 3.97Å
167	Y	92.6	Very high	86.3	Confident	12 Å²	12	39.6 Å²	39.6	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159.1	164.4	77.6	-77.9	0	0	0	111.3	F110 L155 S156 I169 I175 F177	F110-Y167 HydrophobicContact CE2-CD1 4.43Å; F110-Y167 HydrophobicContact CE2-CG 4.08Å; F110-Y167 HydrophobicContact CZ-CD1 4.04Å; F110-Y167 HydrophobicContact CZ-CD2 4.06Å; F110-Y167 AromaticContact CZ-CG 3.72Å; F110-Y167 HydrophobicContact CZ-CG 3.72Å; L155-Y167 HydrophobicContact CD1-CD2 3.78Å; L155-Y167 HydrophobicContact CD1-CG 4.3Å; S156-Y167 CarbonylContact O-C 3.58Å; S156-Y167 WeakPolarHBondContact O-CA 3.24Å; S156-Y167 WeakPolarHBondContact O-CB 3.3Å; Y167-I169 HydrophobicContact CD2-CD1 4.36Å; Y167-I169 HydrophobicContact CE2-CG1 4.48Å; Y167-I175 HydrophobicContact CD1-CB 3.94Å; Y167-I175 HydrophobicContact CD1-CG2 4.22Å; Y167-I175 WeakPolarHBondContact CD1-O 3.29Å; Y167-I175 HydrophobicContact CE1-CB 3.57Å; Y167-I175 HydrophobicContact CE1-CD1 4.29Å; Y167-I175 HydrophobicContact CE1-CG2 3.46Å; Y167-I175 VanDerWaalsContact CE1-CG2 3.46Å; Y167-I175 HydrophobicContact CE2-CD1 3.89Å; Y167-I175 PolarHBondContact N-O 3.43Å; Y167-I175 PolarHBondContact O-N 3.01Å; Y167-F177 HydrophobicContact CD1-CB 4.17Å; Y167-F177 AromaticContact CD1-CD1 3.74Å; Y167-F177 HydrophobicContact CD1-CD1 3.74Å; Y167-F177 HydrophobicContact CD1-CG 4.32Å; Y167-F177 HydrophobicContact CE1-CB 4.12Å; Y167-F177 HydrophobicContact CE1-CD1 4.48Å
168	S	90.9	Very high	85.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.4	169.9	63.9	0	0	0	0	110.5	S156 G172	S156-S168 PolarHBondContact N-O 3.5Å; S156-S168 PolarHBondContact O-N 2.85Å; S168-G172 VanDerWaalsContact CB-O 3.24Å; S168-G172 WeakPolarHBondContact CB-O 3.42Å
169	I	91.4	Very high	84.2	Confident	28 Å²	28	43.1 Å²	43.1	14%	0.144	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.9	175.7	-55.5	-58.7	0	0	0	108.5	L144 L148 N153 M154 L155 Y167 D171 G172	L144-I169 HydrophobicContact CD1-CD1 3.76Å; L148-I169 HydrophobicContact CB-CG1 4.4Å; L148-I169 HydrophobicContact CD1-CG1 4.01Å; N153-I169 HydrophobicContact CB-CG2 4.32Å; M154-I169 CarbonylContact O-C 3.49Å; M154-I169 WeakPolarHBondContact O-CA 3.3Å; L155-I169 HydrophobicContact CB-CD1 4.16Å; L155-I169 HydrophobicContact CD1-CD1 3.7Å; Y167-I169 HydrophobicContact CD2-CD1 4.36Å; Y167-I169 HydrophobicContact CE2-CG1 4.48Å; I169-D171 PolarHBondContact O-N 2.8Å; I169-G172 PolarHBondContact O-N 3.1Å
170	N	92.4	Very high	83.3	Confident	84 Å²	84	45.4 Å²	45.4	45%	0.449	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.6	177.1	-59.5	-26	0	0	0	113	N153 M154 G172	N153-N170 WeakPolarHBondContact CA-OD1 3.25Å; N153-N170 PolarHBondContact OD1-ND2 3.35Å; M154-N170 PolarHBondContact N-OD1 3.09Å; M154-N170 PolarHBondContact O-N 2.83Å; N170-G172 PolarHBondContact O-N 2.76Å; N170-G172 VanDerWaalsContact O-N 3.14Å
171	D	88	Confident	82.9	Confident	85 Å²	85	45.7 Å²	45.7	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	22.7	-176	-60.2	-42.8	0	0	0	114.7	R94 M154 I169	R94-D171 IonicContact CZ-OD1 2.93Å; R94-D171 IonicContact NH2-OD1 3.73Å; R94-D171 PolarHBondContact NH2-OD1 2.94Å; R94-D171 IonicContact NH2-OD2 3.17Å; R94-D171 PolarHBondContact NH2-OD2 2.8Å; M154-D171 VanDerWaalsContact CE-CG 3.49Å; M154-D171 WeakPolarHBondContact CE-OD2 3.34Å; I169-D171 PolarHBondContact O-N 2.8Å
172	G	85	Confident	82.6	Confident	37 Å²	37	42.3 Å²	42.3	38%	0.381	24%	0.244	S	C	.	.			trans	-72	-166.9	171.8	0	0	0	0	0	113.6	S168 I169 N170	S168-G172 VanDerWaalsContact CB-O 3.24Å; S168-G172 WeakPolarHBondContact CB-O 3.42Å; I169-G172 PolarHBondContact O-N 3.1Å; N170-G172 PolarHBondContact O-N 2.76Å; N170-G172 VanDerWaalsContact O-N 3.14Å
173	E	80.8	Confident	82.7	Confident	160 Å²	160	40.9 Å²	40.9	75%	0.748	24%	0.239	S	C	*	.			trans	-60.4	137.4	-175.6	-69.3	-57.9	135.8	0	0	113	I175	E173-I175 PolarHBondContact O-N 3.02Å
174	P	82.1	Confident	82.9	Confident	45 Å²	45	44.9 Å²	44.9	29%	0.292	28%	0.28	S	S	.	.			trans	-63.9	128.2	174.2	-22.2	33.3	0	0	0	112.8	W158 F166	W158-P174 HydrophobicContact CH2-CB 3.72Å; W158-P174 HydrophobicContact CH2-CG 3.89Å; W158-P174 HydrophobicContact CZ2-CB 3.73Å; W158-P174 HydrophobicContact CZ2-CG 3.93Å; F166-P174 HydrophobicContact CB-CB 4.48Å; F166-P174 HydrophobicContact CD1-CB 4.27Å
175	I	80	Confident	83.2	Confident	61 Å²	61	45.3 Å²	45.3	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.1	175.5	-56.6	170.3	0	0	0	108.4	F166 Y167 E173	F166-I175 CarbonylContact C-O 3.55Å; F166-I175 VanDerWaalsContact CA-O 3.24Å; F166-I175 WeakPolarHBondContact CA-O 3.45Å; Y167-I175 HydrophobicContact CD1-CB 3.94Å; Y167-I175 HydrophobicContact CD1-CG2 4.22Å; Y167-I175 WeakPolarHBondContact CD1-O 3.29Å; Y167-I175 HydrophobicContact CE1-CB 3.57Å; Y167-I175 HydrophobicContact CE1-CD1 4.29Å; Y167-I175 HydrophobicContact CE1-CG2 3.46Å; Y167-I175 VanDerWaalsContact CE1-CG2 3.46Å; Y167-I175 HydrophobicContact CE2-CD1 3.89Å; Y167-I175 PolarHBondContact N-O 3.43Å; Y167-I175 PolarHBondContact O-N 3.01Å; E173-I175 PolarHBondContact O-N 3.02Å
176	L	76.3	Confident	83.6	Confident	20 Å²	20	48.8 Å²	48.8	11%	0.105	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127	172	177.3	59.1	0	0	0	109.2	R164 V165 F166 H178 A223	R164-L176 HydrophobicContact CB-CD1 3.8Å; R164-L176 HydrophobicContact CG-CD1 4.43Å; V165-L176 WeakPolarHBondContact O-CD1 3.43Å; F166-L176 HydrophobicContact CD1-CB 3.94Å; F166-L176 HydrophobicContact CD1-CD1 4.23Å; F166-L176 HydrophobicContact CE1-CB 3.75Å; F166-L176 HydrophobicContact CE1-CD1 3.86Å; F166-L176 HydrophobicContact CE1-CG 4.29Å; F166-L176 HydrophobicContact CE2-CD1 4.44Å; F166-L176 HydrophobicContact CZ-CD1 3.97Å; L176-H178 WeakPolarHBondContact CD1-O 3.42Å; L176-A223 HydrophobicContact CB-CB 4.5Å; L176-A223 HydrophobicContact CD2-CB 3.74Å; L176-A223 HydrophobicContact CG-CB 4.38Å
177	F	77.9	Confident	84	Confident	13 Å²	13	49 Å²	49	6%	0.057	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-24.8	177.4	84.4	-97.3	0	0	0	115.1	F110 K142 V165 Y167 N237	F110-F177 HydrophobicContact CD2-CE1 4.31Å; F110-F177 HydrophobicContact CD2-CZ 4.36Å; F110-F177 HydrophobicContact CE2-CD1 4.23Å; F110-F177 AromaticContact CE2-CE1 3.57Å; F110-F177 HydrophobicContact CE2-CE1 3.57Å; F110-F177 AromaticContact CE2-CZ 3.95Å; F110-F177 HydrophobicContact CE2-CZ 3.95Å; F110-F177 HydrophobicContact CZ-CE1 4.36Å; K142-F177 HydrophobicContact CB-CD2 3.73Å; K142-F177 HydrophobicContact CB-CE2 3.65Å; K142-F177 HydrophobicContact CB-CZ 4.46Å; K142-F177 HydrophobicContact CD-CB 3.76Å; K142-F177 HydrophobicContact CD-CD2 3.52Å; K142-F177 HydrophobicContact CD-CE2 4.31Å; K142-F177 HydrophobicContact CD-CG 3.84Å; K142-F177 HydrophobicContact CG-CD2 4.24Å; V165-F177 HydrophobicContact CB-CD1 4.04Å; V165-F177 HydrophobicContact CB-CE1 3.63Å; V165-F177 HydrophobicContact CB-CE2 4.48Å; V165-F177 HydrophobicContact CB-CZ 3.87Å; V165-F177 HydrophobicContact CG1-CD1 3.98Å; V165-F177 HydrophobicContact CG1-CE1 3.16Å; V165-F177 HydrophobicContact CG1-CZ 3.5Å; V165-F177 WeakPolarHBondContact O-CD1 3.28Å; V165-F177 PolarHBondContact O-N 2.75Å; Y167-F177 HydrophobicContact CD1-CB 4.17Å; Y167-F177 AromaticContact CD1-CD1 3.74Å; Y167-F177 HydrophobicContact CD1-CD1 3.74Å; Y167-F177 HydrophobicContact CD1-CG 4.32Å; Y167-F177 HydrophobicContact CE1-CB 4.12Å; Y167-F177 HydrophobicContact CE1-CD1 4.48Å; F177-N237 PolarHBondContact O-ND2 3.07Å; F177-N237 VanDerWaalsContact O-ND2 3.09Å
178	H	72	Confident	84.3	Confident	22 Å²	22	49.4 Å²	49.4	10%	0.102	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.5	-179.3	-170	64.4	0	0	0	111.9	W140 R164 V165 L176	W140-H178 AromaticContact CD1-CD2 3.85Å; W140-H178 AromaticContact CD1-CE1 3.57Å; W140-H178 AromaticContact CD1-NE2 3.04Å; W140-H178 AromaticContact CG-NE2 3.73Å; W140-H178 AromaticContact NE1-NE2 3.55Å; R164-H178 CarbonylContact C-O 3.6Å; R164-H178 WeakPolarHBondContact CA-O 3.3Å; V165-H178 HydrophobicContact CB-CB 3.99Å; V165-H178 HydrophobicContact CG2-CB 3.88Å; V165-H178 PolarHBondContact N-O 3.13Å; V165-H178 PolarHBondContact O-N 2.87Å; L176-H178 WeakPolarHBondContact CD1-O 3.42Å
179	C	75.7	Confident	84.6	Confident	56 Å²	56	49.4 Å²	49.4	38%	0.378	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.6	173.2	-67	0	0	0	0	109	G163 L225	G163-C179 CarbonylContact O-C 3.59Å; C179-L225 HydrophobicContact CB-CD1 4.38Å
180	G	72.9	Confident	84.9	Confident	51 Å²	51	48.1 Å²	48.1	53%	0.526	31%	0.307	S	S	.	.			trans	97.6	25.7	178.2	0	0	0	0	0	114.2	G163	G163-G180 PolarHBondContact O-N 3.19Å
181	L	79.1	Confident	85.1	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.047	29%	0.286	C	S	.	.			trans	-60.1	138.9	162.2	-83.4	172.6	0	0	0	110.3	F112 W140 A159 G163 V165 I183 L187	F112-L181 HydrophobicContact CB-CD2 4.03Å; F112-L181 HydrophobicContact CD2-CD1 4.24Å; W140-L181 HydrophobicContact CB-CD2 4.36Å; W140-L181 HydrophobicContact CD2-CD2 3.52Å; W140-L181 HydrophobicContact CE3-CD2 3.28Å; W140-L181 HydrophobicContact CG-CD2 4.01Å; W140-L181 HydrophobicContact CH2-CD2 4.38Å; W140-L181 HydrophobicContact CZ3-CD2 3.75Å; A159-L181 HydrophobicContact CB-CD1 3.5Å; G163-L181 PolarHBondContact O-N 3.13Å; V165-L181 HydrophobicContact CG2-CD1 3.17Å; V165-L181 HydrophobicContact CG2-CG 3.74Å; L181-I183 HydrophobicContact CB-CG2 4.4Å; L181-I183 PolarHBondContact O-N 3.27Å; L181-I183 VanDerWaalsContact O-N 3.08Å; L181-L187 HydrophobicContact CD1-CD1 4Å; L181-L187 HydrophobicContact CD2-CD1 4.43Å; L181-L187 HydrophobicContact CD2-CD2 4.21Å
182	S	80.3	Confident	85.5	Confident	64 Å²	64	40.1 Å²	40.1	45%	0.448	26%	0.264	S	S	.	.			trans	-76.1	94.9	169.9	-65.6	0	0	0	0	109.5	G184 C185	S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.2Å; S182-C185 PolarHBondContact O-SG 3.15Å
183	I	85.8	Confident	86	Confident	70 Å²	70	38.3 Å²	38.3	36%	0.359	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.1	-178.5	59.2	174.6	0	0	0	114	L89 R161 G163 L181 C185	L89-I183 HydrophobicContact CD2-CG2 4.04Å; R161-I183 WeakPolarHBondContact O-CD1 3.39Å; G163-I183 VanDerWaalsContact CA-CG2 3.48Å; L181-I183 HydrophobicContact CB-CG2 4.4Å; L181-I183 PolarHBondContact O-N 3.27Å; L181-I183 VanDerWaalsContact O-N 3.08Å; I183-C185 PolarHBondContact O-N 3.26Å
184	G	83.3	Confident	86.3	Confident	86 Å²	86	31.2 Å²	31.2	89%	0.887	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.9	176	0	0	0	0	0	113.8	S182	S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.2Å
185	C	88.9	Confident	86.4	Confident	46 Å²	46	29 Å²	29	31%	0.311	20%	0.199	S	C	.	.	S	Bend	trans	-125.2	158.6	179.9	51.8	0	0	0	0	111	S114 S182 I183	S114-C185 VanDerWaalsContact CB-SG 3.51Å; S182-C185 PolarHBondContact O-SG 3.15Å; I183-C185 PolarHBondContact O-N 3.26Å
186	P	93.9	Very high	86.4	Confident	74 Å²	74	27 Å²	27	48%	0.481	19%	0.188	S	C	.	.			trans	-59.2	147.6	173.4	-17.8	30.4	0	0	0	111.3	P86 W188	P86-P186 HydrophobicContact CB-CB 3.88Å; P86-P186 HydrophobicContact CG-CB 3.94Å; P186-W188 HydrophobicContact CB-CE3 4.47Å; P186-W188 HydrophobicContact CB-CH2 3.77Å; P186-W188 HydrophobicContact CB-CZ3 3.72Å; P186-W188 HydrophobicContact CG-CH2 4.37Å; P186-W188 WeakPolarHBondContact O-CZ3 3.4Å
187	L	95.8	Very high	87.1	Confident	6 Å²	6	26.1 Å²	26.1	3%	0.031	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-120.2	134.3	-179.9	-65.3	175.4	0	0	0	110.1	P86 V87 F112 T113 W140 A159 L181	P86-L187 CarbonylContact C-O 3.41Å; P86-L187 WeakPolarHBondContact CA-O 3.47Å; V87-L187 PolarHBondContact N-O 2.73Å; F112-L187 HydrophobicContact CD1-CB 4.18Å; T113-L187 CarbonylContact O-C 3.53Å; T113-L187 WeakPolarHBondContact O-CA 3.2Å; W140-L187 HydrophobicContact CZ3-CD2 4.38Å; A159-L187 HydrophobicContact CB-CD1 4.19Å; L181-L187 HydrophobicContact CD1-CD1 4Å; L181-L187 HydrophobicContact CD2-CD1 4.43Å; L181-L187 HydrophobicContact CD2-CD2 4.21Å
188	W	97.3	Very high	87.8	Confident	20 Å²	20	28.7 Å²	28.7	8%	0.076	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.8	171.4	-68.2	-109.6	0	0	0	109.9	R85 P86 F112 T113 D116 P117 P186	R85-W188 VanDerWaalsContact C-CD1 3.48Å; P86-W188 HydrophobicContact CG-CD2 4.34Å; P86-W188 HydrophobicContact CG-CH2 4.2Å; P86-W188 HydrophobicContact CG-CZ2 3.62Å; F112-W188 CarbonylContact C-O 3.54Å; F112-W188 WeakPolarHBondContact CA-O 3.5Å; T113-W188 HydrophobicContact CG2-CB 3.78Å; T113-W188 PolarHBondContact N-O 2.76Å; T113-W188 PolarHBondContact O-N 2.83Å; D116-W188 HydrophobicContact CB-CH2 3.78Å; D116-W188 HydrophobicContact CB-CZ2 3.73Å; D116-W188 HydrophobicContact CB-CZ3 4.44Å; D116-W188 VanDerWaalsContact CG-CZ2 3.48Å; P117-W188 VanDerWaalsContact CD-CG 3.43Å; P117-W188 HydrophobicContact CG-CB 3.95Å; P117-W188 HydrophobicContact CG-CD2 4.5Å; P117-W188 HydrophobicContact CG-CG 3.81Å; P186-W188 HydrophobicContact CB-CE3 4.47Å; P186-W188 HydrophobicContact CB-CH2 3.77Å; P186-W188 HydrophobicContact CB-CZ3 3.72Å; P186-W188 HydrophobicContact CG-CH2 4.37Å; P186-W188 WeakPolarHBondContact O-CZ3 3.4Å
189	A	97.4	Very high	89	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137	175	0	0	0	0	0	110	F82 S83 V87 V93 G111 F157 I191	F82-A189 CarbonylContact C-O 3.6Å; F82-A189 WeakPolarHBondContact CA-O 3.1Å; S83-A189 PolarHBondContact N-O 2.94Å; S83-A189 PolarHBondContact OG-N 3.11Å; V87-A189 HydrophobicContact CG2-CB 4.14Å; V93-A189 HydrophobicContact CG1-CB 4.17Å; V93-A189 HydrophobicContact CG2-CB 3.94Å; G111-A189 WeakPolarHBondContact O-CA 3.5Å; F157-A189 HydrophobicContact CE2-CB 4.26Å; F157-A189 HydrophobicContact CZ-CB 4.12Å; A189-I191 HydrophobicContact CB-CD1 3.77Å
190	I	97.1	Very high	90	Very high	1 Å²	1	27 Å²	27	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.4	168.2	-51.4	173.1	0	0	0	107.6	I80 F82 F110 G111 F112 T113 Y139	I80-I190 HydrophobicContact CG2-CG2 4.31Å; F82-I190 HydrophobicContact CD1-CG1 4.03Å; F82-I190 HydrophobicContact CE1-CG1 3.94Å; F82-I190 HydrophobicContact CE1-CG2 4.24Å; F110-I190 CarbonylContact C-O 3.58Å; F110-I190 VanDerWaalsContact CA-O 3.31Å; F110-I190 WeakPolarHBondContact CA-O 3.09Å; G111-I190 PolarHBondContact N-O 3.07Å; G111-I190 PolarHBondContact O-N 3.1Å; F112-I190 VanDerWaalsContact C-CD1 3.48Å; F112-I190 VanDerWaalsContact O-CD1 3.27Å; F112-I190 WeakPolarHBondContact O-CD1 3.39Å; T113-I190 HydrophobicContact CG2-CD1 4.36Å; T113-I190 HydrophobicContact CG2-CG1 3.96Å; Y139-I190 HydrophobicContact CD1-CD1 3.77Å
191	I	97.9	Very high	91.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	110.8	174.6	-54.9	89.1	0	0	0	108.1	F52 T81 L95 L108 F157 A189 I193 V200	F52-I191 HydrophobicContact CE1-CB 4.37Å; F52-I191 HydrophobicContact CE1-CD1 4.16Å; F52-I191 HydrophobicContact CE1-CG1 4.41Å; T81-I191 WeakPolarHBondContact CA-O 3.38Å; T81-I191 PolarHBondContact N-O 3.25Å; T81-I191 PolarHBondContact O-N 3.21Å; T81-I191 WeakPolarHBondContact OG1-CB 3.02Å; T81-I191 PolarHBondContact OG1-O 3.48Å; L95-I191 HydrophobicContact CD1-CG1 3.81Å; L95-I191 HydrophobicContact CD1-CG2 3.88Å; L95-I191 HydrophobicContact CD2-CG1 4.33Å; L108-I191 HydrophobicContact CD1-CG2 3.7Å; L108-I191 HydrophobicContact CG-CG2 4.49Å; F157-I191 HydrophobicContact CZ-CG1 4.38Å; A189-I191 HydrophobicContact CB-CD1 3.77Å; I191-I193 HydrophobicContact CG2-CG1 4.43Å; I191-V200 HydrophobicContact CG2-CG2 4.35Å
192	D	96.1	Very high	92.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	105	175.2	-176.4	10.8	0	0	0	110.2	G79 I80 L108 R109 A129 Y194	G79-D192 VanDerWaalsContact C-OD1 3.25Å; I80-D192 HydrophobicContact CG1-CB 4.09Å; I80-D192 PolarHBondContact N-OD1 2.89Å; L108-D192 WeakPolarHBondContact CD1-O 3.48Å; R109-D192 HydrophobicContact CB-CB 4.1Å; R109-D192 PolarHBondContact N-O 2.74Å; R109-D192 PolarHBondContact O-N 3.42Å; A129-D192 HydrophobicContact CB-CB 3.72Å; A129-D192 WeakPolarHBondContact CB-OD2 3.38Å; A129-D192 PolarHBondContact N-OD2 2.86Å; D192-Y194 VanDerWaalsContact C-N 3.32Å; D192-Y194 PolarHBondContact O-N 3.38Å
193	I	95.5	Very high	92.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.154	C	C	.	.			trans	-74.6	87.8	178.6	-52.8	-176.2	0	0	0	108.4	I61 A70 R72 G79 L108 I191 T197 V200	I61-I193 HydrophobicContact CD1-CB 4.04Å; I61-I193 HydrophobicContact CD1-CD1 3.82Å; I61-I193 HydrophobicContact CD1-CG1 4.18Å; A70-I193 HydrophobicContact CB-CD1 3.45Å; A70-I193 VanDerWaalsContact CB-CD1 3.45Å; A70-I193 WeakPolarHBondContact O-CD1 3.48Å; R72-I193 HydrophobicContact CB-CG2 3.91Å; R72-I193 WeakPolarHBondContact CD-O 3.32Å; R72-I193 PolarHBondContact NH1-O 2.91Å; G79-I193 PolarHBondContact O-N 3.4Å; L108-I193 HydrophobicContact CD1-CG1 4.36Å; I191-I193 HydrophobicContact CG2-CG1 4.43Å; I193-T197 HydrophobicContact CG2-CG2 4.34Å; I193-T197 VanDerWaalsContact CG2-O 3.3Å; I193-T197 WeakPolarHBondContact CG2-O 3.48Å; I193-V200 HydrophobicContact CD1-CG2 3.62Å; I193-V200 HydrophobicContact CG1-CG2 4.02Å
194	Y	87.8	Confident	93.1	Very high	10 Å²	10	25.8 Å²	25.8	4%	0.039	16%	0.16	C	C	.	.			trans	-115.5	149.9	-170.9	-179.6	-81	0	0	0	113.1	R72 F76 C77 S105 A107 R109 Y128 D192 I196 T197	R72-Y194 VanDerWaalsContact NH1-CA 3.29Å; F76-Y194 AromaticContact CD2-CE2 3.85Å; F76-Y194 HydrophobicContact CD2-CE2 3.85Å; F76-Y194 AromaticContact CD2-CZ 3.93Å; F76-Y194 HydrophobicContact CE2-CE2 4.28Å; F76-Y194 WeakPolarHBondContact O-CD2 3.41Å; C77-Y194 HydrophobicContact CB-CD2 4.41Å; C77-Y194 HydrophobicContact CB-CE2 4.3Å; S105-Y194 WeakPolarHBondContact O-CE1 3.5Å; A107-Y194 CarbonylContact C-O 3.52Å; R109-Y194 VanDerWaalsContact CZ-CE1 3.43Å; R109-Y194 VanDerWaalsContact CZ-CG 3.49Å; R109-Y194 VanDerWaalsContact NH1-CE1 3.26Å; R109-Y194 VanDerWaalsContact NH2-CE1 3.29Å; Y128-Y194 HydrophobicContact CD1-CD2 4.07Å; Y128-Y194 AromaticContact CD1-CE2 3.59Å; Y128-Y194 HydrophobicContact CD1-CE2 3.59Å; Y128-Y194 HydrophobicContact CE1-CD2 4.47Å; Y128-Y194 AromaticContact CE1-CE2 3.66Å; Y128-Y194 HydrophobicContact CE1-CE2 3.66Å; D192-Y194 VanDerWaalsContact C-N 3.32Å; D192-Y194 PolarHBondContact O-N 3.38Å; Y194-I196 PolarHBondContact O-N 3.46Å; Y194-T197 PolarHBondContact O-N 3.34Å; Y194-T197 VanDerWaalsContact O-N 3.14Å
195	G	82.8	Confident	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-122.9	164.7	0	0	0	0	0	113	R72 F76 S105 G106 T197	R72-G195 VanDerWaalsContact NH1-N 3.11Å; R72-G195 PolarHBondContact NH1-O 3.09Å; R72-G195 PolarHBondContact NH2-O 3.2Å; F76-G195 PolarHBondContact O-N 3.43Å; S105-G195 WeakPolarHBondContact O-CA 3.48Å; G106-G195 CarbonylContact O-C 3.56Å; G106-G195 VanDerWaalsContact O-CA 3.25Å; G106-G195 WeakPolarHBondContact O-CA 3.35Å; G195-T197 PolarHBondContact O-N 3.34Å
196	I	80.7	Confident	93.3	Very high	19 Å²	19	23.3 Å²	23.3	10%	0.097	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.7	-179.1	63.1	174.1	0	0	0	112.9	V100 H101 W104 G106 A107 E146 A149 Y194 Q198	V100-I196 CarbonylContact C-O 3.48Å; V100-I196 VanDerWaalsContact CA-O 3.24Å; V100-I196 WeakPolarHBondContact CA-O 3.45Å; V100-I196 HydrophobicContact CG1-CB 4.17Å; V100-I196 HydrophobicContact CG1-CD1 4.36Å; V100-I196 HydrophobicContact CG1-CG1 4.32Å; H101-I196 PolarHBondContact N-O 3.41Å; H101-I196 WeakPolarHBondContact O-CA 3.2Å; H101-I196 WeakPolarHBondContact O-CB 3.03Å; H101-I196 WeakPolarHBondContact O-CG2 3.49Å; W104-I196 HydrophobicContact CB-CG2 4.35Å; W104-I196 WeakPolarHBondContact O-CG2 3.47Å; G106-I196 WeakPolarHBondContact O-CG1 3.36Å; G106-I196 PolarHBondContact O-N 3.42Å; A107-I196 HydrophobicContact CB-CD1 4.31Å; A107-I196 HydrophobicContact CB-CG1 4.08Å; E146-I196 HydrophobicContact CB-CD1 4.17Å; E146-I196 HydrophobicContact CG-CD1 4.41Å; A149-I196 HydrophobicContact CB-CD1 3.83Å; A149-I196 HydrophobicContact CB-CG1 4.17Å; Y194-I196 PolarHBondContact O-N 3.46Å; I196-Q198 PolarHBondContact O-N 2.74Å
197	T	90.9	Very high	93.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.9	175.9	-52.4	0	0	0	0	109.6	R72 L97 L108 I193 Y194 G195 V200	R72-T197 PolarHBondContact NH1-O 3.18Å; L97-T197 HydrophobicContact CD2-CG2 3.42Å; L97-T197 VanDerWaalsContact CD2-CG2 3.42Å; L108-T197 HydrophobicContact CB-CG2 4.24Å; L108-T197 HydrophobicContact CD1-CG2 4.1Å; L108-T197 PolarHBondContact N-OG1 3.02Å; I193-T197 HydrophobicContact CG2-CG2 4.34Å; I193-T197 VanDerWaalsContact CG2-O 3.3Å; I193-T197 WeakPolarHBondContact CG2-O 3.48Å; Y194-T197 PolarHBondContact O-N 3.34Å; Y194-T197 VanDerWaalsContact O-N 3.14Å; G195-T197 PolarHBondContact O-N 3.34Å; T197-V200 HydrophobicContact CG2-CG1 3.7Å
198	Q	92.3	Very high	92.5	Very high	67 Å²	67	25.1 Å²	25.1	31%	0.313	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-29.6	-179.3	-170	176.5	13.6	0	0	112.3	T71 R72 G99 I196	T71-Q198 CarbonylContact C-O 3.49Å; R72-Q198 PolarHBondContact N-O 3.35Å; R72-Q198 WeakPolarHBondContact O-CG 3.29Å; R72-Q198 PolarHBondContact O-NE2 2.89Å; G99-Q198 PolarHBondContact O-N 2.76Å; I196-Q198 PolarHBondContact O-N 2.74Å
199	E	96.4	Very high	91.6	Very high	42 Å²	42	32.5 Å²	32.5	20%	0.196	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.6	-176.9	-165.6	-177.8	77.9	0	0	111.5	R69 A70 T71 T98 G99	R69-E199 HydrophobicContact CG-CG 3.88Å; A70-E199 WeakPolarHBondContact O-CA 3.12Å; A70-E199 WeakPolarHBondContact O-CG 3.42Å; T71-E199 HydrophobicContact CG2-CB 4.24Å; T71-E199 HydrophobicContact CG2-CG 4.15Å; T71-E199 WeakPolarHBondContact OG1-CG 2.99Å; T71-E199 PolarHBondContact OG1-OE2 2.77Å; T98-E199 WeakPolarHBondContact CB-OE1 3.41Å; T98-E199 PolarHBondContact N-O 3.3Å; T98-E199 WeakPolarHBondContact OG1-CG 3.35Å; T98-E199 PolarHBondContact OG1-O 3.21Å; T98-E199 PolarHBondContact OG1-OE1 3.16Å; G99-E199 PolarHBondContact N-O 3.11Å; G99-E199 VanDerWaalsContact N-O 3.14Å; G99-E199 PolarHBondContact O-N 2.85Å
200	V	97.8	Very high	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.4	172.6	-59.7	0	0	0	0	110.7	F52 R69 A70 L95 R96 L97 L108 I191 I193 T197	F52-V200 HydrophobicContact CZ-CG2 3.81Å; R69-V200 WeakPolarHBondContact CA-O 3.36Å; A70-V200 HydrophobicContact CB-CG2 4.41Å; A70-V200 PolarHBondContact N-O 3.25Å; A70-V200 PolarHBondContact O-N 3.32Å; L95-V200 HydrophobicContact CD2-CG2 4.4Å; R96-V200 CarbonylContact O-C 3.47Å; R96-V200 VanDerWaalsContact O-CA 3.28Å; R96-V200 WeakPolarHBondContact O-CA 3.47Å; L97-V200 HydrophobicContact CD2-CG1 4.18Å; L108-V200 HydrophobicContact CD1-CG1 3.93Å; L108-V200 HydrophobicContact CD2-CG1 4.49Å; I191-V200 HydrophobicContact CG2-CG2 4.35Å; I193-V200 HydrophobicContact CD1-CG2 3.62Å; I193-V200 HydrophobicContact CG1-CG2 4.02Å; T197-V200 HydrophobicContact CG2-CG1 3.7Å
201	T	97.9	Very high	88	Confident	26 Å²	26	38.3 Å²	38.3	16%	0.16	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.6	174	-58.4	0	0	0	0	109.9	R68 L95 R96 T98	R68-T201 CarbonylContact O-C 3.59Å; R68-T201 WeakPolarHBondContact O-CA 2.84Å; L95-T201 WeakPolarHBondContact CA-O 3.21Å; R96-T201 PolarHBondContact N-O 3.37Å; R96-T201 PolarHBondContact O-N 3.44Å; T98-T201 WeakPolarHBondContact CG2-OG1 3.26Å
202	L	97.4	Very high	85.6	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124.1	170.3	-83.5	166.6	0	0	0	110	L50 F52 R68 V93 R94 L95	L50-L202 HydrophobicContact CD2-CD2 4.16Å; F52-L202 HydrophobicContact CD1-CD1 3.88Å; F52-L202 HydrophobicContact CD2-CD1 3.69Å; F52-L202 HydrophobicContact CD2-CG 4.34Å; F52-L202 HydrophobicContact CE1-CD1 3.8Å; F52-L202 HydrophobicContact CE1-CG 4.13Å; F52-L202 HydrophobicContact CE2-CB 4.33Å; F52-L202 HydrophobicContact CE2-CD1 3.61Å; F52-L202 HydrophobicContact CE2-CG 3.76Å; F52-L202 HydrophobicContact CG-CD1 3.81Å; F52-L202 HydrophobicContact CZ-CD1 3.65Å; F52-L202 HydrophobicContact CZ-CG 3.62Å; R68-L202 PolarHBondContact O-N 3.11Å; V93-L202 HydrophobicContact CG1-CD2 3.95Å; R94-L202 WeakPolarHBondContact O-CA 3.26Å; L95-L202 HydrophobicContact CD2-CD2 3.46Å; L95-L202 VanDerWaalsContact CD2-CD2 3.46Å; L95-L202 HydrophobicContact CD2-CG 3.81Å; L95-L202 HydrophobicContact CG-CD2 4.45Å
203	L	95.3	Very high	83.1	Confident	51 Å²	51	44.9 Å²	44.9	27%	0.267	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-94.8	169.8	172.7	-52.3	178.6	0	0	0	109.9	R94 R96 M154 S205	R94-L203 HydrophobicContact CB-CB 3.97Å; R94-L203 PolarHBondContact O-N 2.77Å; R96-L203 HydrophobicContact CB-CD1 4.22Å; R96-L203 HydrophobicContact CB-CD2 4.29Å; R96-L203 HydrophobicContact CB-CG 4.34Å; M154-L203 HydrophobicContact CG-CD1 4.05Å; M154-L203 HydrophobicContact SD-CD1 3.44Å; M154-L203 WeakPolarHBondContact SD-CD1 3.45Å; L203-S205 PolarHBondContact O-N 2.47Å
204	D	91.6	Very high	80.4	Confident	89 Å²	89	49.4 Å²	49.4	48%	0.476	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-63.3	135.5	175.8	-66.4	-43.6	0	0	0	111.4	S49 R68 R94	S49-D204 PolarHBondContact OG-OD1 3.49Å; R68-D204 IonicContact CZ-OD1 3.32Å; R68-D204 IonicContact NH1-OD1 2.62Å; R68-D204 PolarHBondContact NH1-OD1 3.01Å; R68-D204 IonicContact NH2-OD1 2.97Å; R68-D204 PolarHBondContact NH2-OD1 2.92Å; R94-D204 WeakPolarHBondContact CD-O 3.48Å
205	S	87.4	Confident	78.3	Confident	29 Å²	29	51.6 Å²	51.6	20%	0.203	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-62.5	139.4	178.3	-55.3	0	0	0	0	110.4	E91 L203	E91-S205 WeakPolarHBondContact OE1-CB 3.41Å; E91-S205 PolarHBondContact OE1-OG 3.2Å; L203-S205 PolarHBondContact O-N 2.47Å
206	T	89.9	Confident	76.5	Confident	51 Å²	51	53.2 Å²	53.2	31%	0.313	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	164.3	166.7	59.2	0	0	0	0	108.7	K92	K92-T206 VanDerWaalsContact CB-O 3.28Å; K92-T206 WeakPolarHBondContact CB-O 2.97Å; K92-T206 PolarHBondContact N-O 2.97Å
207	F	89.1	Confident	74.4	Confident	106 Å²	106	55.9 Å²	55.9	47%	0.465	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.2	177.8	-76.3	-93.4	0	0	0	110.9	L47 H88 Y90 E91	L47-F207 HydrophobicContact CD2-CE2 4.12Å; L47-F207 HydrophobicContact CD2-CZ 4Å; H88-F207 HydrophobicContact CB-CE1 4.3Å; Y90-F207 CarbonylContact O-C 3.46Å; Y90-F207 WeakPolarHBondContact O-CA 3.35Å; E91-F207 HydrophobicContact CB-CD1 4.32Å; E91-F207 HydrophobicContact CB-CE1 3.81Å; E91-F207 HydrophobicContact CB-CZ 4.11Å; E91-F207 HydrophobicContact CG-CE1 4.44Å; E91-F207 HydrophobicContact CG-CZ 4.26Å
208	A	83.6	Confident	71.8	Confident	12 Å²	12	59.1 Å²	59.1	10%	0.099	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-75.4	137.9	170.6	0	0	0	0	0	110.1	Y90 K92 W158	Y90-A208 PolarHBondContact O-N 3.21Å; K92-A208 HydrophobicContact CG-CB 4.3Å; W158-A208 HydrophobicContact CD2-CB 3.99Å; W158-A208 HydrophobicContact CG-CB 4Å; W158-A208 HydrophobicContact CZ2-CB 4.2Å
209	E	78.6	Confident	69.1	Low	176 Å²	176	56.9 Å²	56.9	82%	0.822	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-65.2	151.1	167.4	-64.7	-176.3	173.8	0	0	110	V211	E209-V211 PolarHBondContact O-N 3.12Å
210	S	63.3	Low	66.3	Low	88 Å²	88	63.3 Å²	63.3	62%	0.615	38%	0.375	S	S	*	.			trans	-63.6	109.6	177.3	64.7	0	0	0	0	109.5	G212	S210-G212 PolarHBondContact O-N 3.02Å
211	V	56.7	Low	63.2	Low	34 Å²	34	69.6 Å²	69.6	21%	0.206	41%	0.408	C	S	.	.			trans	-62.9	106.5	177.3	-170.6	0	0	0	0	108.8	E209 C215 L216	E209-V211 PolarHBondContact O-N 3.12Å; V211-C215 HydrophobicContact CG1-CB 3.84Å; V211-C215 VanDerWaalsContact CG1-SG 3.53Å; V211-L216 HydrophobicContact CG1-CD2 4.27Å; V211-L216 HydrophobicContact CG1-CG 4.37Å
212	G	46.6	Very low	60.2	Low	33 Å²	33	70.4 Å²	70.4	34%	0.34	41%	0.414	S	S	.	.			trans	-73.5	168.8	177.4	0	0	0	0	0	113.3	S210 S214 C215 L216	S210-G212 PolarHBondContact O-N 3.02Å; G212-S214 PolarHBondContact O-N 3.26Å; G212-S214 VanDerWaalsContact O-N 3.09Å; G212-C215 PolarHBondContact N-SG 2.89Å; G212-C215 VanDerWaalsContact N-SG 3.39Å; G212-C215 PolarHBondContact O-N 3.29Å; G212-C215 PolarHBondContact O-SG 2.83Å; G212-L216 PolarHBondContact O-N 3.19Å
213	S	42.9	Very low	57	Low	107 Å²	107	71.7 Å²	71.7	75%	0.748	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.1	-176.5	-54.7	0	0	0	0	114.7	S217	S213-S217 PolarHBondContact O-N 3.11Å
214	S	39.7	Very low	53.7	Low	95 Å²	95	78.2 Å²	78.2	66%	0.664	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-37.6	179.1	49.2	0	0	0	0	113.5	G212 L216 S217	G212-S214 PolarHBondContact O-N 3.26Å; G212-S214 VanDerWaalsContact O-N 3.09Å; S214-L216 VanDerWaalsContact C-N 3.27Å; S214-L216 PolarHBondContact O-N 3.42Å; S214-S217 PolarHBondContact O-N 3.18Å; S214-S217 PolarHBondContact O-OG 2.91Å
215	C	43	Very low	50.9	Low	56 Å²	56	77.6 Å²	77.6	38%	0.378	44%	0.444	S	S	.	.	H	α-helix	trans	-74.4	-22.5	172.9	14.9	0	0	0	0	111.6	V211 G212 S217 A218 A219	V211-C215 HydrophobicContact CG1-CB 3.84Å; V211-C215 VanDerWaalsContact CG1-SG 3.53Å; G212-C215 PolarHBondContact N-SG 2.89Å; G212-C215 VanDerWaalsContact N-SG 3.39Å; G212-C215 PolarHBondContact O-N 3.29Å; G212-C215 PolarHBondContact O-SG 2.83Å; C215-S217 VanDerWaalsContact C-N 3.31Å; C215-S217 PolarHBondContact O-N 2.79Å; C215-A218 PolarHBondContact O-N 2.89Å; C215-A219 WeakPolarHBondContact O-CB 3.29Å; C215-A219 PolarHBondContact O-N 3.15Å
216	L	44.4	Very low	48	Very low	33 Å²	33	79.3 Å²	79.3	17%	0.173	46%	0.455	C	S	.	.	H	α-helix	trans	-69.9	-21.7	169.8	-64.4	173.3	0	0	0	113.2	R164 V211 G212 S214 R220	R164-L216 VanDerWaalsContact NH1-CD1 3.31Å; V211-L216 HydrophobicContact CG1-CD2 4.27Å; V211-L216 HydrophobicContact CG1-CG 4.37Å; G212-L216 PolarHBondContact O-N 3.19Å; S214-L216 VanDerWaalsContact C-N 3.27Å; S214-L216 PolarHBondContact O-N 3.42Å; L216-R220 WeakPolarHBondContact O-CA 3.14Å; L216-R220 WeakPolarHBondContact O-CB 3.44Å; L216-R220 WeakPolarHBondContact O-CD 3.49Å; L216-R220 WeakPolarHBondContact O-CG 3.23Å; L216-R220 PolarHBondContact O-N 2.8Å
217	S	36.8	Very low	44.9	Very low	76 Å²	76	83.6 Å²	83.6	53%	0.531	47%	0.471	S	S	.	.	H	α-helix	trans	-73.5	-29.5	174	69.8	0	0	0	0	112.6	S213 S214 C215	S213-S217 PolarHBondContact O-N 3.11Å; S214-S217 PolarHBondContact O-N 3.18Å; S214-S217 PolarHBondContact O-OG 2.91Å; C215-S217 VanDerWaalsContact C-N 3.31Å; C215-S217 PolarHBondContact O-N 2.79Å
218	A	36.4	Very low	41.9	Very low	68 Å²	68	81.1 Å²	81.1	56%	0.562	47%	0.467	S	S	*	.	H	α-helix	trans	-79.4	-42.8	170.9	0	0	0	0	0	111.6	C215 R220 L221	C215-A218 PolarHBondContact O-N 2.89Å; A218-R220 VanDerWaalsContact C-N 3.27Å; A218-R220 PolarHBondContact O-N 2.8Å; A218-L221 PolarHBondContact O-N 2.84Å
219	A	36.2	Very low	39.2	Very low	20 Å²	20	85.5 Å²	85.5	17%	0.165	50%	0.497	C	S	.	.	H	α-helix	trans	-68.4	-22.3	175.1	0	0	0	0	0	113.5	C215 L221 S222 A223	C215-A219 WeakPolarHBondContact O-CB 3.29Å; C215-A219 PolarHBondContact O-N 3.15Å; A219-L221 PolarHBondContact O-N 3.3Å; A219-S222 PolarHBondContact O-N 2.88Å; A219-S222 VanDerWaalsContact O-N 3.16Å; A219-A223 PolarHBondContact O-N 3.23Å
220	R	38	Very low	36.9	Very low	176 Å²	176	85.9 Å²	85.9	66%	0.664	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-64.6	-24.3	174.9	-94.7	170.5	176.2	-176.9	-0.3	113.4	L216 A218 S222 A223	L216-R220 WeakPolarHBondContact O-CA 3.14Å; L216-R220 WeakPolarHBondContact O-CB 3.44Å; L216-R220 WeakPolarHBondContact O-CD 3.49Å; L216-R220 WeakPolarHBondContact O-CG 3.23Å; L216-R220 PolarHBondContact O-N 2.8Å; A218-R220 VanDerWaalsContact C-N 3.27Å; A218-R220 PolarHBondContact O-N 2.8Å; R220-S222 PolarHBondContact O-N 3.16Å; R220-A223 PolarHBondContact O-N 2.87Å
221	L	31.5	Very low	35.4	Very low	132 Å²	132	89.2 Å²	89.2	69%	0.691	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-70.8	-14.5	175.7	-82.6	154.6	0	0	0	112.7	A218 A219 L240	A218-L221 PolarHBondContact O-N 2.84Å; A219-L221 PolarHBondContact O-N 3.3Å; L221-L240 WeakPolarHBondContact O-CD2 3.33Å
222	S	35.1	Very low	34.1	Very low	43 Å²	43	91.6 Å²	91.6	30%	0.301	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-116.5	10.9	177.8	-64.1	0	0	0	0	113.9	A219 R220 L240	A219-S222 PolarHBondContact O-N 2.88Å; A219-S222 VanDerWaalsContact O-N 3.16Å; R220-S222 PolarHBondContact O-N 3.16Å; S222-L240 VanDerWaalsContact C-CD1 3.5Å; S222-L240 WeakPolarHBondContact O-CD1 3.22Å
223	A	31.4	Very low	33.2	Very low	30 Å²	30	93 Å²	93	25%	0.248	54%	0.536	C	S	.	.			trans	-136.9	63.7	-174.7	0	0	0	0	0	112.2	L176 A219 R220	L176-A223 HydrophobicContact CB-CB 4.5Å; L176-A223 HydrophobicContact CD2-CB 3.74Å; L176-A223 HydrophobicContact CG-CB 4.38Å; A219-A223 PolarHBondContact O-N 3.23Å; R220-A223 PolarHBondContact O-N 2.87Å
224	Y	25.9	Very low	32.8	Very low	188 Å²	188	91.3 Å²	91.3	74%	0.737	52%	0.518	S	S	*	.			trans	-89.9	95.7	152.2	-87.4	-85.1	0	0	0	107.6
225	L	32.3	Very low	32.5	Very low	76 Å²	76	91.4 Å²	91.4	40%	0.398	51%	0.505	S	S	.	.			trans	-96.4	131.7	170.6	-80.9	164.5	0	0	0	110.3	C179	C179-L225 HydrophobicContact CB-CD1 4.38Å
226	P	26.3	Very low	32.2	Very low	65 Å²	65	92 Å²	92	42%	0.422	51%	0.509	S	S	.	.			trans	-76.2	129	166.3	27.8	-28.3	0	0	0	111	S228	P226-S228 PolarHBondContact O-N 2.94Å
227	Q	24.4	Very low	31.6	Very low	142 Å²	142	92.1 Å²	92.1	66%	0.664	51%	0.511	S	S	*	.			trans	-66	115.5	153.2	-50.8	145.7	-58.5	0	0	108	R561	Q227-R561 VanDerWaalsContact N-CZ 3.26Å; Q227-R561 PolarHBondContact O-NH1 2.74Å; Q227-R561 PolarHBondContact O-NH2 3.46Å; Q227-R561 VanDerWaalsContact OE1-NH2 3.08Å
228	S	26.5	Very low	31.6	Very low	53 Å²	53	90 Å²	90	37%	0.371	49%	0.493	S	S	.	.			trans	-109.9	142	152.2	44.1	0	0	0	0	107.6	P226	P226-S228 PolarHBondContact O-N 2.94Å
229	S	26.7	Very low	31.6	Very low	105 Å²	105	94.3 Å²	94.3	73%	0.734	50%	0.502	S	S	*	.			trans	-42.1	147.6	160.9	43.7	0	0	0	0	110.4	D231	S229-D231 PolarHBondContact O-N 2.91Å
230	H	31.7	Very low	31.6	Very low	184 Å²	184	94.9 Å²	94.9	85%	0.852	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-21.9	123.7	166.9	-94.2	-104.4	0	0	0	111.8
231	D	30.6	Very low	31.5	Very low	157 Å²	157	91 Å²	91	84%	0.84	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	112	5.3	172.5	-56.7	-19.4	0	0	0	118.6	S229	S229-D231 PolarHBondContact O-N 2.91Å
232	S	29	Very low	31.7	Very low	84 Å²	84	89 Å²	89	59%	0.587	48%	0.481	S	S	*	.			trans	-146	7.7	175.8	-53.9	0	0	0	0	117.6	N234	S232-N234 PolarHBondContact O-N 3.34Å
233	A	27.8	Very low	31.6	Very low	64 Å²	64	92.1 Å²	92.1	53%	0.529	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	86.7	-177.3	0	0	0	0	0	111.4
234	N	34.4	Very low	31.8	Very low	70 Å²	70	97.5 Å²	97.5	37%	0.374	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-166.5	15.5	153.9	-92	-25.8	0	0	0	114.5	S232	S232-N234 PolarHBondContact O-N 3.34Å
235	Y	34.2	Very low	32.1	Very low	98 Å²	98	91.3 Å²	91.3	38%	0.384	50%	0.502	S	S	.	.			trans	-107	3.1	-158.7	-113.7	-72.7	0	0	0	118.8	D382 R383 K384	Y235-D382 HydrophobicContact CE1-CB 4.11Å; Y235-D382 WeakPolarHBondContact CE1-O 3.4Å; Y235-D382 PolarHBondContact OH-O 3.14Å; Y235-R383 HydrophobicContact CE1-CB 4.3Å; Y235-R383 HydrophobicContact CE1-CG 4.37Å; Y235-R383 VanDerWaalsContact CZ-CA 3.48Å; Y235-R383 WeakPolarHBondContact OH-CA 3.46Å; Y235-R383 PolarHBondContact OH-O 2.93Å; Y235-R383 VanDerWaalsContact OH-O 3.11Å; Y235-K384 VanDerWaalsContact OH-CA 3.29Å; Y235-K384 WeakPolarHBondContact OH-CA 3.25Å; Y235-K384 PolarHBondContact OH-N 3.26Å
236	S	37.1	Very low	32.1	Very low	67 Å²	67	89.8 Å²	89.8	47%	0.469	50%	0.501	S	S	.	.			trans	-149.9	98.5	-167.6	56.2	0	0	0	0	112.9
237	N	32.2	Very low	32.3	Very low	37 Å²	37	90 Å²	90	20%	0.198	51%	0.508	C	S	.	.			trans	-137.4	0.5	165	-101	-36.7	0	0	0	114.6	K142 F177 Q239	K142-N237 VanDerWaalsContact NZ-CG 3.33Å; K142-N237 PolarHBondContact NZ-ND2 3.39Å; F177-N237 PolarHBondContact O-ND2 3.07Å; F177-N237 VanDerWaalsContact O-ND2 3.09Å; N237-Q239 VanDerWaalsContact C-N 3.34Å
238	N	36.6	Very low	32.7	Very low	31 Å²	31	87.1 Å²	87.1	17%	0.166	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.7	176.7	-90.8	-42.2	0	0	0	114.2	V379 D382	N238-V379 HydrophobicContact CB-CG2 3.92Å; N238-D382 PolarHBondContact ND2-OD2 2.59Å
239	Q	35.4	Very low	33.1	Very low	158 Å²	158	92.5 Å²	92.5	74%	0.738	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.6	179.5	-80.6	-165.8	9.6	0	0	115.4	N237	N237-Q239 VanDerWaalsContact C-N 3.34Å
240	L	36.6	Very low	33.3	Very low	32 Å²	32	95.2 Å²	95.2	17%	0.168	53%	0.528	C	S	.	.	S	Bend	trans	-99.7	-15.2	-169.1	-77.5	138.4	0	0	0	115.5	L221 S222	L221-L240 WeakPolarHBondContact O-CD2 3.33Å; S222-L240 VanDerWaalsContact C-CD1 3.5Å; S222-L240 WeakPolarHBondContact O-CD1 3.22Å
241	E	35.6	Very low	33.4	Very low	96 Å²	96	90.2 Å²	90.2	45%	0.449	52%	0.518	S	S	.	.	S	Bend	trans	-81.1	-23.5	174.2	-105.7	162.2	137.3	0	0	113.9	R147 N243 Q244	R147-E241 IonicContact CZ-OE1 2.81Å; R147-E241 IonicContact CZ-OE2 2.92Å; R147-E241 IonicContact NE-OE1 3.8Å; R147-E241 IonicContact NH2-OE1 3.78Å; R147-E241 PolarHBondContact NH2-OE1 3.13Å; R147-E241 IonicContact NH2-OE2 3.93Å; R147-E241 PolarHBondContact NH2-OE2 3.14Å; E241-N243 PolarHBondContact O-N 3.26Å; E241-Q244 PolarHBondContact O-N 2.62Å
242	N	36.4	Very low	33.5	Very low	88 Å²	88	90.2 Å²	90.2	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-22.6	179.1	-88.9	-11	0	0	0	113.4	A246	N242-A246 WeakPolarHBondContact O-CB 3.17Å; N242-A246 PolarHBondContact O-N 3.28Å; N242-A246 VanDerWaalsContact O-N 3.13Å
243	N	33.6	Very low	33.6	Very low	109 Å²	109	94 Å²	94	58%	0.583	53%	0.531	S	S	*	.	H	α-helix	trans	-81.6	-20.5	-178.7	-66.9	-28.3	0	0	0	113.4	E241 A247	E241-N243 PolarHBondContact O-N 3.26Å; N243-A247 PolarHBondContact O-N 2.87Å
244	Q	34.9	Very low	34	Very low	143 Å²	143	99.6 Å²	99.6	67%	0.668	55%	0.546	S	S	*	.	H	α-helix	trans	-80.9	-32.6	172.3	-85.4	174.9	-8.5	0	0	112.1	E241 A248	E241-Q244 PolarHBondContact O-N 2.62Å; Q244-A248 PolarHBondContact O-N 3.14Å
245	A	32.1	Very low	33.7	Very low	58 Å²	58	104.7 Å²	104.7	48%	0.479	57%	0.572	S	S	.	*	H	α-helix	trans	-71.8	-30.2	170.9	0	0	0	0	0	112.8
246	A	33.2	Very low	33.4	Very low	45 Å²	45	105 Å²	105	37%	0.372	59%	0.589	S	S	.	*	H	α-helix	trans	-73.2	-33.7	175	0	0	0	0	0	113.1	N242 A248 K249	N242-A246 WeakPolarHBondContact O-CB 3.17Å; N242-A246 PolarHBondContact O-N 3.28Å; N242-A246 VanDerWaalsContact O-N 3.13Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 3.19Å; A246-K249 WeakPolarHBondContact O-CB 3.35Å; A246-K249 PolarHBondContact O-N 2.95Å; A246-K249 VanDerWaalsContact O-N 3.13Å
247	A	30.4	Very low	33.1	Very low	70 Å²	70	108.5 Å²	108.5	58%	0.579	60%	0.603	S	S	*	*	H	α-helix	trans	-67.3	-33.2	176	0	0	0	0	0	112.7	N243 K249	N243-A247 PolarHBondContact O-N 2.87Å; A247-K249 PolarHBondContact O-N 2.89Å
248	A	31.8	Very low	32.8	Very low	80 Å²	80	117.8 Å²	117.8	66%	0.661	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-70.3	-17.7	172.4	0	0	0	0	0	113.4	Q244 A246	Q244-A248 PolarHBondContact O-N 3.14Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 3.19Å
249	K	35.8	Very low	32.5	Very low	166 Å²	166	121.7 Å²	121.7	72%	0.722	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-85.8	-12.9	178.9	-75.9	-179.9	176.2	-173.7	0	114.3	A246 A247 A251	A246-K249 WeakPolarHBondContact O-CB 3.35Å; A246-K249 PolarHBondContact O-N 2.95Å; A246-K249 VanDerWaalsContact O-N 3.13Å; A247-K249 PolarHBondContact O-N 2.89Å; K249-A251 PolarHBondContact O-N 3.32Å
250	M	30.5	Very low	32.3	Very low	163 Å²	163	122 Å²	122	80%	0.803	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-78.5	0.8	178.1	-72.7	-168.9	-174.5	0	0	114.6
251	A	33.7	Very low	32	Very low	78 Å²	78	128 Å²	128	65%	0.645	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-96.5	3.4	-177.3	0	0	0	0	0	115.6	K249	K249-A251 PolarHBondContact O-N 3.32Å
252	N	32.5	Very low	31.8	Very low	157 Å²	157	130.7 Å²	130.7	84%	0.84	72%	0.715	S	S	*	*			trans	-138.9	60.3	179.1	-86	-56.5	0	0	0	113.2
253	L	30.5	Very low	31.6	Very low	163 Å²	163	132 Å²	132	85%	0.853	73%	0.728	S	S	*	*			trans	-95.3	86.2	161.9	-90.6	163	0	0	0	109.3
254	Q	36.4	Very low	31.2	Very low	183 Å²	183	131.4 Å²	131.4	86%	0.855	73%	0.732	S	S	*	*			trans	-161.9	90.9	146.6	-78.3	-150.3	-26.2	0	0	109.6
255	L	29.1	Very low	31.1	Very low	176 Å²	176	130.6 Å²	130.6	92%	0.921	74%	0.74	S	S	*	*			trans	-168.9	85.9	135	-127.3	73.3	0	0	0	109.7
256	S	27.5	Very low	30.9	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	76%	0.755	S	S	*	*			trans	-70.9	123	158.4	44.1	0	0	0	0	109.2
257	N	30.3	Very low	30.9	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	78%	0.781	S	S	*	*			trans	147	100.9	141.5	-76.5	-12.6	0	0	0	110.5
258	Y	26.2	Very low	30.9	Very low	232 Å²	232	139.1 Å²	139.1	91%	0.91	79%	0.79	S	S	*	*			trans	-169.4	84.6	138.3	-108.2	-76.5	0	0	0	108.1
259	S	30.7	Very low	30.9	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	80%	0.8	S	S	*	*			trans	-95.1	92.7	167.9	46.5	0	0	0	0	108.6
260	Q	30.3	Very low	30.6	Very low	164 Å²	164	139.2 Å²	139.2	77%	0.766	81%	0.806	S	S	*	*			trans	-150.3	109.8	159.5	-72.2	-157.1	-7	0	0	112.2
261	L	30.7	Very low	30.6	Very low	158 Å²	158	137.1 Å²	137.1	83%	0.827	81%	0.808	S	S	*	*			trans	38.4	114.1	133.6	-67.8	144	0	0	0	119.5
262	I	31.3	Very low	30.3	Very low	153 Å²	153	138.8 Å²	138.8	79%	0.785	82%	0.815	S	S	*	*			trans	-134.2	117.2	147.3	-56.6	179.6	0	0	0	108.6
263	P	31.8	Very low	30	Very low	116 Å²	116	137.3 Å²	137.3	75%	0.753	81%	0.811	S	S	*	*			trans	-91.3	127.8	178.7	31.9	-27.6	0	0	0	111.5
264	C	26.3	Very low	30	Very low	97 Å²	97	135.8 Å²	135.8	66%	0.655	81%	0.809	S	S	*	*			trans	-137.9	45.8	172.3	-56.4	0	0	0	0	113.4
265	C	31.9	Very low	30	Very low	125 Å²	125	132.5 Å²	132.5	85%	0.845	80%	0.803	S	S	*	*			trans	-154.2	85.9	167.9	-56.8	0	0	0	0	111.3
266	S	28.5	Very low	29.7	Very low	113 Å²	113	129.5 Å²	129.5	79%	0.79	80%	0.797	S	S	*	*			trans	-170.3	101.6	156.6	35.3	0	0	0	0	111.5
267	S	32.9	Very low	29.6	Very low	132 Å²	132	130 Å²	130	92%	0.923	80%	0.8	S	S	*	*			trans	-84.1	114.4	154.9	32.7	0	0	0	0	108
268	S	29.1	Very low	30	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	80%	0.803	S	S	*	*			trans	-129.6	122.4	168.2	54.8	0	0	0	0	109.8
269	S	33.8	Very low	30.2	Very low	125 Å²	125	123.2 Å²	123.2	87%	0.874	80%	0.798	S	S	*	*			trans	-68.3	139	174.5	38.6	0	0	0	0	112.1
270	S	29	Very low	29.9	Very low	122 Å²	122	122.6 Å²	122.6	85%	0.853	79%	0.794	S	S	*	*			trans	-149	127	157	59.2	0	0	0	0	110.7
271	S	29.8	Very low	29.8	Very low	120 Å²	120	121 Å²	121	84%	0.839	80%	0.795	S	S	*	*			trans	-77.9	135.4	-177.4	48.8	0	0	0	0	113.9
272	S	28	Very low	29.6	Very low	113 Å²	113	118 Å²	118	79%	0.79	79%	0.793	S	S	*	*			trans	-162.3	121.5	144.5	57.6	0	0	0	0	112.2
273	T	26.4	Very low	29.5	Very low	126 Å²	126	120 Å²	120	77%	0.773	80%	0.797	S	S	*	*			trans	-29.2	146.3	154.3	32.9	0	0	0	0	114.6
274	T	28.9	Very low	29.7	Very low	130 Å²	130	120.5 Å²	120.5	80%	0.798	80%	0.8	S	S	*	*			cis	-171.1	178.7	31.9	5.8	0	0	0	0	108.7
275	P	36.8	Very low	30	Very low	114 Å²	114	127.3 Å²	127.3	74%	0.74	81%	0.812	S	S	*	*			trans	-108.6	151.3	-132.3	40.8	-30.3	0	0	0	114.9
276	S	23.9	Very low	30.1	Very low	114 Å²	114	125.1 Å²	125.1	80%	0.797	81%	0.811	S	S	*	*			trans	-154.6	124.4	158.7	-70.3	0	0	0	0	111.8
277	S	25.8	Very low	30.8	Very low	113 Å²	113	123.8 Å²	123.8	79%	0.79	80%	0.797	S	S	*	*			trans	54.5	109.6	148.3	51.9	0	0	0	0	119.2	V279	S277-V279 PolarHBondContact O-N 2.8Å
278	A	37.1	Very low	31.3	Very low	99 Å²	99	128.8 Å²	128.8	82%	0.818	80%	0.796	S	S	*	*			trans	-42.2	125	160.4	0	0	0	0	0	112.9
279	V	30.9	Very low	32.2	Very low	134 Å²	134	125.9 Å²	125.9	81%	0.812	78%	0.784	S	S	*	*			trans	-175.9	146.3	136	166.2	0	0	0	0	105	S277	S277-V279 PolarHBondContact O-N 2.8Å
280	S	25.1	Very low	33.3	Very low	99 Å²	99	123.1 Å²	123.1	69%	0.692	76%	0.759	S	S	*	*			trans	105.8	138.2	167.5	-47.9	0	0	0	0	112.6
281	T	27.8	Very low	34.9	Very low	129 Å²	129	119.1 Å²	119.1	79%	0.791	73%	0.73	S	S	*	*			cis	-170.7	145.3	-0.4	11.7	0	0	0	0	104.9
282	A	26.8	Very low	36.2	Very low	95 Å²	95	119.8 Å²	119.8	79%	0.785	73%	0.734	S	S	*	*			trans	-41.8	135.7	172.9	0	0	0	0	0	113.3
283	F	29.2	Very low	38.3	Very low	196 Å²	196	121.3 Å²	121.3	86%	0.86	73%	0.733	S	S	*	*			trans	-43.8	139.1	161.7	-69	-89.8	0	0	0	110.7	R285	F283-R285 PolarHBondContact O-N 3.06Å
284	P	34.8	Very low	41	Very low	127 Å²	127	116.2 Å²	116.2	83%	0.825	70%	0.701	S	S	*	*	S	Bend	trans	-66.8	115.3	174.3	-8.7	23.6	0	0	0	109.1
285	R	33.8	Very low	43.6	Very low	240 Å²	240	113.6 Å²	113.6	91%	0.906	68%	0.682	S	S	*	*			trans	21.9	108	154.7	-78.6	176.8	161.4	149.7	-4.3	116.4	F283	F283-R285 PolarHBondContact O-N 3.06Å
286	G	34.8	Very low	45.8	Very low	79 Å²	79	112.4 Å²	112.4	81%	0.814	67%	0.669	S	S	*	*			trans	-49.3	136.6	172.4	0	0	0	0	0	113.7	R288	G286-R288 PolarHBondContact O-N 2.67Å
287	V	42.3	Very low	48.8	Very low	84 Å²	84	112 Å²	112	51%	0.509	66%	0.658	S	S	.	*			trans	-58.5	117.2	170	-179.8	0	0	0	0	108	G289 V401	V287-G289 PolarHBondContact O-N 3.33Å; V287-V401 HydrophobicContact CG1-CG2 3.78Å
288	R	42.8	Very low	52	Low	237 Å²	237	106.6 Å²	106.6	89%	0.894	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	115.1	-176.7	-144.5	-179.9	-159.2	-157	4.2	108.6	G286	G286-R288 PolarHBondContact O-N 2.67Å
289	G	49.5	Very low	54.8	Low	48 Å²	48	104 Å²	104	50%	0.495	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	110.2	7	172.2	0	0	0	0	0	116.9	V287	V287-G289 PolarHBondContact O-N 3.33Å
290	L	54.9	Low	57.9	Low	67 Å²	67	97.7 Å²	97.7	35%	0.351	55%	0.553	S	S	.	*			trans	-87.1	137.1	174.4	-153.3	69.1	0	0	0	111.3	L294 Y342 V401 L449	L290-L294 HydrophobicContact CD1-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD1 3.85Å; L290-L294 HydrophobicContact CD2-CG 4.49Å; L290-L294 HydrophobicContact CG-CD1 3.78Å; L290-L294 HydrophobicContact CG-CG 4.3Å; L290-Y342 HydrophobicContact CD1-CD1 4.02Å; L290-Y342 HydrophobicContact CD1-CG 4.27Å; L290-V401 HydrophobicContact CD1-CG1 4.26Å; L290-L449 HydrophobicContact CD1-CD1 3.83Å
291	P	63.2	Low	61.3	Low	38 Å²	38	94.4 Å²	94.4	25%	0.247	53%	0.527	C	S	.	.			trans	-57.7	147.3	167.6	-20.5	31.2	0	0	0	111.6	L293 L294 Y342 L452	P291-L293 PolarHBondContact O-N 3.38Å; P291-L294 HydrophobicContact CB-CD2 4.26Å; P291-L294 HydrophobicContact CG-CD2 4.12Å; P291-Y342 HydrophobicContact CG-CE1 4.3Å; P291-Y342 HydrophobicContact CG-CE2 4.14Å; P291-Y342 VanDerWaalsContact CG-OH 3.31Å; P291-Y342 WeakPolarHBondContact CG-OH 3.28Å; P291-L452 HydrophobicContact CB-CD2 3.91Å; P291-L452 HydrophobicContact CG-CD2 3.74Å
292	S	56.9	Low	64.5	Low	133 Å²	133	94 Å²	94	93%	0.93	52%	0.519	S	S	*	.	S	Bend	trans	-70.2	-10.4	-170.7	47.1	0	0	0	0	115.5
293	L	73.7	Confident	67.7	Low	145 Å²	145	91.2 Å²	91.2	76%	0.759	49%	0.49	S	S	*	.			trans	-147.7	107	173.7	-168.4	74.5	0	0	0	108.6	P291	P291-L293 PolarHBondContact O-N 3.38Å
294	L	81.4	Confident	70.7	Confident	19 Å²	19	84.9 Å²	84.9	10%	0.099	46%	0.461	C	S	.	.			trans	-97.7	141	168.7	-68.1	-176	0	0	0	109.4	L290 P291 N296 Y342 L449 L452	L290-L294 HydrophobicContact CD1-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD1 3.85Å; L290-L294 HydrophobicContact CD2-CG 4.49Å; L290-L294 HydrophobicContact CG-CD1 3.78Å; L290-L294 HydrophobicContact CG-CG 4.3Å; P291-L294 HydrophobicContact CB-CD2 4.26Å; P291-L294 HydrophobicContact CG-CD2 4.12Å; L294-N296 PolarHBondContact O-ND2 3.19Å; L294-Y342 HydrophobicContact CD1-CD2 4.04Å; L294-Y342 HydrophobicContact CD1-CG 4.14Å; L294-Y342 HydrophobicContact CD2-CD2 3.49Å; L294-Y342 VanDerWaalsContact CD2-CD2 3.49Å; L294-Y342 HydrophobicContact CD2-CE2 3.59Å; L294-Y342 HydrophobicContact CD2-CG 4.32Å; L294-Y342 HydrophobicContact CG-CD2 4.46Å; L294-L449 HydrophobicContact CD1-CB 3.93Å; L294-L449 WeakPolarHBondContact CD1-O 3.33Å; L294-L452 HydrophobicContact CD2-CB 4.04Å
295	D	83.6	Confident	73.3	Confident	75 Å²	75	78.9 Å²	78.9	40%	0.401	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-75.9	132.3	169.3	-170.1	0.1	0	0	0	109.5	D297 G450 T451	D295-D297 WeakPolarHBondContact OD1-CB 2.92Å; D295-D297 PolarHBondContact OD1-N 3.26Å; D295-G450 CarbonylContact O-C 3.56Å; D295-G450 WeakPolarHBondContact O-CA 3.36Å; D295-T451 PolarHBondContact N-O 3.12Å; D295-T451 PolarHBondContact O-N 3.48Å
296	N	83.8	Confident	75.9	Confident	89 Å²	89	70.8 Å²	70.8	48%	0.476	40%	0.402	S	S	.	.			trans	-99.8	15.9	-177.2	-67.1	-83.9	0	0	0	112.3	L294 L298 H299	L294-N296 PolarHBondContact O-ND2 3.19Å; N296-L298 VanDerWaalsContact C-N 3.25Å; N296-L298 PolarHBondContact O-N 2.83Å; N296-H299 PolarHBondContact O-CE1 2.8Å
297	D	87.4	Confident	78.4	Confident	106 Å²	106	69.4 Å²	69.4	57%	0.567	38%	0.376	S	S	*	.			trans	-73.7	-11.3	-176.1	-77.3	-1.5	0	0	0	114.5	D295	D295-D297 WeakPolarHBondContact OD1-CB 2.92Å; D295-D297 PolarHBondContact OD1-N 3.26Å
298	L	92.6	Very high	80.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.352	C	S	.	.			trans	-98.7	126.7	178.8	-166.3	75.2	0	0	0	111.9	N296 R333 L335 L341 I448 T451	N296-L298 VanDerWaalsContact C-N 3.25Å; N296-L298 PolarHBondContact O-N 2.83Å; L298-R333 HydrophobicContact CD1-CB 4.46Å; L298-R333 HydrophobicContact CD1-CG 3.28Å; L298-L335 HydrophobicContact CD2-CD2 3.84Å; L298-L341 HydrophobicContact CD2-CD1 3.46Å; L298-L341 VanDerWaalsContact CD2-CD1 3.46Å; L298-L341 HydrophobicContact CD2-CD2 4.18Å; L298-L341 HydrophobicContact CD2-CG 4.34Å; L298-I448 WeakPolarHBondContact O-CG2 3.37Å; L298-T451 HydrophobicContact CB-CG2 3.81Å; L298-T451 HydrophobicContact CD2-CG2 3.72Å; L298-T451 HydrophobicContact CG-CG2 4.36Å
299	H	95.4	Very high	82.9	Confident	45 Å²	45	57.5 Å²	57.5	21%	0.208	33%	0.326	C	S	.	.			trans	-128.1	173.2	176.3	-54.5	77.1	0	0	0	111.4	N296 D313 R314 L315 D332	N296-H299 PolarHBondContact O-CE1 2.8Å; H299-D313 PolarHBondContact CD2-O 3.22Å; H299-R314 HydrophobicContact CB-CB 4.02Å; H299-L315 VanDerWaalsContact CD2-CD2 3.41Å; H299-L315 WeakPolarHBondContact CD2-CD2 3.44Å; H299-D332 WeakPolarHBondContact CB-OD2 3.33Å; H299-D332 PolarHBondContact N-OD1 3.32Å; H299-D332 IonicContact ND1-OD2 3.48Å; H299-D332 PolarHBondContact O-N 2.8Å; H299-D332 VanDerWaalsContact O-OD1 3.12Å
300	F	97.1	Very high	85	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.1	168.1	-69.4	-64.6	0	0	0	110.9	L310 R314 L315 A317 V329 F330 F437 L446 I448	F300-L310 HydrophobicContact CB-CD1 4.31Å; F300-L310 HydrophobicContact CB-CD2 3.76Å; F300-L310 HydrophobicContact CD2-CD2 4.25Å; F300-L310 HydrophobicContact CG-CD2 4.17Å; F300-R314 WeakPolarHBondContact CB-O 3.43Å; F300-R314 WeakPolarHBondContact CD2-O 3.23Å; F300-R314 PolarHBondContact N-O 2.9Å; F300-R314 PolarHBondContact O-NH1 2.81Å; F300-L315 WeakPolarHBondContact CE2-O 3.4Å; F300-A317 HydrophobicContact CD2-CB 3.95Å; F300-A317 HydrophobicContact CE2-CB 3.78Å; F300-A317 HydrophobicContact CG-CB 4.41Å; F300-A317 HydrophobicContact CZ-CB 4.1Å; F300-V329 HydrophobicContact CD1-CB 3.98Å; F300-V329 HydrophobicContact CD1-CG2 3.98Å; F300-V329 HydrophobicContact CE1-CB 4.24Å; F300-V329 HydrophobicContact CE1-CG2 3.7Å; F300-F330 CarbonylContact C-O 3.42Å; F300-F330 WeakPolarHBondContact CA-O 3.29Å; F300-F437 HydrophobicContact CE1-CD2 4.24Å; F300-L446 HydrophobicContact CE1-CD2 4.26Å; F300-L446 WeakPolarHBondContact CE2-O 3.32Å; F300-L446 HydrophobicContact CZ-CB 4.28Å; F300-L446 HydrophobicContact CZ-CD2 3.92Å; F300-L446 HydrophobicContact CZ-CG 4.09Å; F300-I448 HydrophobicContact CD1-CD1 3.85Å; F300-I448 HydrophobicContact CD2-CD1 4.04Å; F300-I448 HydrophobicContact CD2-CG1 4.33Å; F300-I448 HydrophobicContact CE1-CD1 3.82Å; F300-I448 HydrophobicContact CE1-CG1 4.03Å; F300-I448 HydrophobicContact CE2-CD1 4.01Å; F300-I448 HydrophobicContact CE2-CG1 3.82Å; F300-I448 HydrophobicContact CG-CD1 3.96Å; F300-I448 HydrophobicContact CZ-CD1 3.9Å; F300-I448 HydrophobicContact CZ-CG1 3.66Å
301	H	96.4	Very high	86.8	Confident	30 Å²	30	55 Å²	55	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	153.2	174.5	-164.9	-100.1	0	0	0	111.4	I303 L310 F330 D332 P365	H301-I303 VanDerWaalsContact C-N 3.33Å; H301-I303 WeakPolarHBondContact ND1-CB 3.3Å; H301-I303 PolarHBondContact ND1-N 2.91Å; H301-I303 PolarHBondContact O-N 3.17Å; H301-L310 WeakPolarHBondContact O-CD1 3.44Å; H301-F330 HydrophobicContact CB-CB 4.06Å; H301-F330 PolarHBondContact N-O 3.49Å; H301-D332 HydrophobicContact CB-CB 4.15Å; H301-P365 HydrophobicContact CB-CB 4.24Å
302	L	93.8	Very high	88.1	Confident	121 Å²	121	58.7 Å²	58.7	63%	0.634	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	-32.2	-179.8	-70.5	170.7	0	0	0	112.8
303	I	93.8	Very high	89.7	Confident	35 Å²	35	56.6 Å²	56.6	18%	0.179	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.5	171.9	-58.4	-62.2	0	0	0	109	H301 F330 P365 L368 L373	H301-I303 VanDerWaalsContact C-N 3.33Å; H301-I303 WeakPolarHBondContact ND1-CB 3.3Å; H301-I303 PolarHBondContact ND1-N 2.91Å; H301-I303 PolarHBondContact O-N 3.17Å; I303-F330 WeakPolarHBondContact O-CD2 3.1Å; I303-P365 WeakPolarHBondContact CG1-O 3.15Å; I303-L368 WeakPolarHBondContact CD1-O 3.22Å; I303-L368 HydrophobicContact CG2-CB 4.01Å; I303-L373 HydrophobicContact CG2-CD1 4.17Å
304	R	93.3	Very high	90.7	Very high	64 Å²	64	52.9 Å²	52.9	24%	0.242	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	164.6	-172.3	60.1	-176.4	179.4	74.9	-18.2	109.9	V308 L328 V329 S370 L373	R304-V308 HydrophobicContact CB-CB 4.41Å; R304-V308 HydrophobicContact CG-CB 4.41Å; R304-V308 VanDerWaalsContact NH1-C 3.34Å; R304-V308 PolarHBondContact NH1-O 3.23Å; R304-V308 PolarHBondContact NH2-O 3.05Å; R304-L328 CarbonylContact C-O 3.55Å; R304-L328 VanDerWaalsContact CA-O 3.31Å; R304-L328 WeakPolarHBondContact CA-O 3.44Å; R304-V329 HydrophobicContact CB-CG1 4.31Å; R304-S370 WeakPolarHBondContact O-CB 3.48Å; R304-S370 PolarHBondContact O-OG 2.97Å; R304-L373 WeakPolarHBondContact O-CD1 3.38Å
305	G	89	Confident	91.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.			trans	-59.7	150.8	172.3	0	0	0	0	0	112.2	D307 V308 R326 L328	G305-D307 PolarHBondContact O-N 3.38Å; G305-V308 PolarHBondContact O-N 3.43Å; G305-R326 CarbonylContact C-O 3.58Å; G305-R326 VanDerWaalsContact C-O 3.27Å; G305-R326 WeakPolarHBondContact CA-O 3.42Å; G305-L328 PolarHBondContact N-O 2.8Å
306	S	87.4	Confident	91.7	Very high	71 Å²	71	50 Å²	50	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.3	-177.2	53	0	0	0	0	113.3	V308 R326	S306-V308 VanDerWaalsContact C-N 3.34Å; S306-R326 PolarHBondContact N-O 3.03Å
307	D	87.6	Confident	92.1	Very high	50 Å²	50	45.7 Å²	45.7	27%	0.267	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.4	-171.4	-51.2	-18	0	0	0	112.1	G305 I319 S324 S325 R326 T327	G305-D307 PolarHBondContact O-N 3.38Å; D307-I319 WeakPolarHBondContact O-CG2 3.48Å; D307-S324 WeakPolarHBondContact OD2-CA 3.37Å; D307-S325 PolarHBondContact OD2-N 3.12Å; D307-R326 PolarHBondContact N-O 2.75Å; D307-R326 PolarHBondContact OD2-N 2.86Å; D307-T327 HydrophobicContact CB-CG2 4.45Å
308	V	90.1	Very high	92.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	154.3	177	-177.6	0	0	0	0	109.7	R304 G305 S306 L310 A317 C318 V329	R304-V308 HydrophobicContact CB-CB 4.41Å; R304-V308 HydrophobicContact CG-CB 4.41Å; R304-V308 VanDerWaalsContact NH1-C 3.34Å; R304-V308 PolarHBondContact NH1-O 3.23Å; R304-V308 PolarHBondContact NH2-O 3.05Å; G305-V308 PolarHBondContact O-N 3.43Å; S306-V308 VanDerWaalsContact C-N 3.34Å; V308-L310 HydrophobicContact CG1-CD2 4.13Å; V308-A317 HydrophobicContact CG1-CB 3.97Å; V308-C318 CarbonylContact C-O 3.55Å; V308-C318 WeakPolarHBondContact CA-O 3.42Å; V308-V329 HydrophobicContact CB-CG1 4.25Å; V308-V329 HydrophobicContact CG1-CG1 3.55Å; V308-V329 HydrophobicContact CG2-CG1 3.81Å
309	I	90.3	Very high	91.8	Very high	68 Å²	68	42.3 Å²	42.3	35%	0.349	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.2	162.4	-63.6	-177.5	0	0	0	108.2	A317 C318 H320	I309-A317 CarbonylContact O-C 3.54Å; I309-C318 PolarHBondContact N-O 2.94Å; I309-C318 PolarHBondContact O-N 3.25Å; I309-H320 WeakPolarHBondContact CD1-CD2 3.24Å; I309-H320 WeakPolarHBondContact CD1-NE2 3.32Å
310	L	92.7	Very high	90.5	Very high	29 Å²	29	46.1 Å²	46.1	15%	0.152	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.9	174	-61	179.1	0	0	0	110.1	F300 H301 V308 A316 A317	F300-L310 HydrophobicContact CB-CD1 4.31Å; F300-L310 HydrophobicContact CB-CD2 3.76Å; F300-L310 HydrophobicContact CD2-CD2 4.25Å; F300-L310 HydrophobicContact CG-CD2 4.17Å; H301-L310 WeakPolarHBondContact O-CD1 3.44Å; V308-L310 HydrophobicContact CG1-CD2 4.13Å; L310-A316 CarbonylContact C-O 3.57Å; L310-A316 VanDerWaalsContact CA-O 3.31Å; L310-A316 WeakPolarHBondContact CA-O 3.48Å; L310-A317 HydrophobicContact CD2-CB 3.76Å
311	S	92.8	Very high	88.8	Confident	35 Å²	35	53.2 Å²	53.2	25%	0.245	29%	0.287	C	S	.	.			trans	-64.5	161.3	164.4	54	0	0	0	0	111.1	D313 R314 L315 A316	S311-D313 WeakPolarHBondContact CB-OD1 3.31Å; S311-D313 PolarHBondContact O-N 3.13Å; S311-D313 PolarHBondContact OG-OD1 3.13Å; S311-R314 WeakPolarHBondContact O-CA 3.25Å; S311-R314 PolarHBondContact O-N 2.89Å; S311-L315 PolarHBondContact OG-N 2.68Å; S311-A316 PolarHBondContact N-O 3.49Å; S311-A316 PolarHBondContact OG-N 3.32Å; S311-A316 PolarHBondContact OG-O 3.39Å
312	A	90.4	Very high	87	Confident	115 Å²	115	55.2 Å²	55.2	95%	0.95	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.2	-179.5	0	0	0	0	0	112.9	R314	A312-R314 VanDerWaalsContact C-N 3.28Å
313	D	90.9	Very high	85.4	Confident	88 Å²	88	56.5 Å²	56.5	47%	0.471	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.7	174.7	60.7	6.7	0	0	0	113.3	H299 S311 L315	H299-D313 PolarHBondContact CD2-O 3.22Å; S311-D313 WeakPolarHBondContact CB-OD1 3.31Å; S311-D313 PolarHBondContact O-N 3.13Å; S311-D313 PolarHBondContact OG-OD1 3.13Å; D313-L315 HydrophobicContact CB-CD1 4.41Å; D313-L315 HydrophobicContact CB-CG 4.37Å; D313-L315 PolarHBondContact O-N 3.48Å; D313-L315 VanDerWaalsContact O-N 3.11Å; D313-L315 PolarHBondContact OD1-N 2.9Å
314	R	94.6	Very high	84.3	Confident	67 Å²	67	55.7 Å²	55.7	25%	0.253	30%	0.304	S	S	.	.	S	Bend	trans	57.1	16.3	-174.4	-54.1	-174.3	-62.9	133.8	-0.6	114.8	H299 F300 S311 A312 D332	H299-R314 HydrophobicContact CB-CB 4.02Å; F300-R314 WeakPolarHBondContact CB-O 3.43Å; F300-R314 WeakPolarHBondContact CD2-O 3.23Å; F300-R314 PolarHBondContact N-O 2.9Å; F300-R314 PolarHBondContact O-NH1 2.81Å; S311-R314 WeakPolarHBondContact O-CA 3.25Å; S311-R314 PolarHBondContact O-N 2.89Å; A312-R314 VanDerWaalsContact C-N 3.28Å; R314-D332 IonicContact CZ-OD2 3.08Å; R314-D332 IonicContact NH1-OD2 2.68Å; R314-D332 PolarHBondContact NH1-OD2 3.35Å; R314-D332 IonicContact NH2-OD2 3.82Å; R314-D332 PolarHBondContact NH2-OD2 2.86Å
315	L	93.3	Very high	83.4	Confident	27 Å²	27	55.5 Å²	55.5	14%	0.141	31%	0.312	C	S	.	.	S	Bend	trans	-84	-20.8	175.7	-69.4	174.6	0	0	0	112.6	H299 F300 S311 D313 R447 I448	H299-L315 VanDerWaalsContact CD2-CD2 3.41Å; H299-L315 WeakPolarHBondContact CD2-CD2 3.44Å; F300-L315 WeakPolarHBondContact CE2-O 3.4Å; S311-L315 PolarHBondContact OG-N 2.68Å; D313-L315 HydrophobicContact CB-CD1 4.41Å; D313-L315 HydrophobicContact CB-CG 4.37Å; D313-L315 PolarHBondContact O-N 3.48Å; D313-L315 VanDerWaalsContact O-N 3.11Å; D313-L315 PolarHBondContact OD1-N 2.9Å; L315-R447 CarbonylContact O-C 3.47Å; L315-R447 WeakPolarHBondContact O-CA 3.37Å; L315-I448 HydrophobicContact CD2-CB 4.44Å; L315-I448 PolarHBondContact O-N 3.16Å
316	A	92.3	Very high	83.2	Confident	6 Å²	6	60.2 Å²	60.2	5%	0.05	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.9	-179.9	0	0	0	0	0	112.1	L310 S311 L446 R447	L310-A316 CarbonylContact C-O 3.57Å; L310-A316 VanDerWaalsContact CA-O 3.31Å; L310-A316 WeakPolarHBondContact CA-O 3.48Å; S311-A316 PolarHBondContact N-O 3.49Å; S311-A316 PolarHBondContact OG-N 3.32Å; S311-A316 PolarHBondContact OG-O 3.39Å; A316-L446 CarbonylContact C-O 3.57Å; A316-L446 WeakPolarHBondContact CA-O 3.23Å; A316-R447 HydrophobicContact CB-CB 4.29Å; A316-R447 HydrophobicContact CB-CG 4.21Å
317	A	92.1	Very high	83.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.3	171.2	0	0	0	0	0	109.7	F300 V308 I309 L310 V329 R445 L446	F300-A317 HydrophobicContact CD2-CB 3.95Å; F300-A317 HydrophobicContact CE2-CB 3.78Å; F300-A317 HydrophobicContact CG-CB 4.41Å; F300-A317 HydrophobicContact CZ-CB 4.1Å; V308-A317 HydrophobicContact CG1-CB 3.97Å; I309-A317 CarbonylContact O-C 3.54Å; L310-A317 HydrophobicContact CD2-CB 3.76Å; A317-V329 HydrophobicContact CB-CG1 3.87Å; A317-V329 HydrophobicContact CB-CG2 4.49Å; A317-R445 CarbonylContact O-C 3.51Å; A317-R445 WeakPolarHBondContact O-CA 3.32Å; A317-L446 PolarHBondContact N-O 3.05Å; A317-L446 PolarHBondContact O-N 3.35Å
318	C	88.6	Confident	83.6	Confident	22 Å²	22	54.6 Å²	54.6	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.5	-173	-59.8	0	0	0	0	113.3	V308 I309 N444 R445	V308-C318 CarbonylContact C-O 3.55Å; V308-C318 WeakPolarHBondContact CA-O 3.42Å; I309-C318 PolarHBondContact N-O 2.94Å; I309-C318 PolarHBondContact O-N 3.25Å; C318-N444 CarbonylContact C-O 3.5Å; C318-N444 WeakPolarHBondContact CA-O 3.47Å; C318-R445 PolarHBondContact SG-NH1 3.11Å; C318-R445 VanDerWaalsContact SG-NH1 3.38Å
319	I	86.4	Confident	83.8	Confident	13 Å²	13	54.6 Å²	54.6	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.8	161.3	88.9	172.2	0	0	0	119.2	D307 T327 L439 N444	D307-I319 WeakPolarHBondContact O-CG2 3.48Å; I319-T327 HydrophobicContact CD1-CG2 4.04Å; I319-T327 HydrophobicContact CG2-CG2 3.98Å; I319-L439 HydrophobicContact CD1-CB 3.97Å; I319-L439 HydrophobicContact CG1-CB 4.34Å; I319-L439 HydrophobicContact CG2-CD1 4.29Å; I319-N444 WeakPolarHBondContact CA-O 3.24Å; I319-N444 HydrophobicContact CG1-CB 4.11Å; I319-N444 PolarHBondContact N-O 3.3Å
320	H	67.1	Low	84.1	Confident	125 Å²	125	51.3 Å²	51.3	58%	0.579	28%	0.277	S	S	*	.	S	Bend	trans	-83.6	-33	168.3	-90.2	-56.6	0	0	0	114.2	I309	I309-H320 WeakPolarHBondContact CD1-CD2 3.24Å; I309-H320 WeakPolarHBondContact CD1-NE2 3.32Å
321	F	62.3	Low	84.3	Confident	150 Å²	150	50 Å²	50	66%	0.658	27%	0.271	S	S	*	.			trans	-142.6	154.9	-169.6	-64.5	-76.9	0	0	0	113.9	D323 S324	F321-D323 PolarHBondContact O-N 3.04Å; F321-S324 WeakPolarHBondContact O-CB 2.94Å; F321-S324 PolarHBondContact O-N 2.63Å; F321-S324 PolarHBondContact O-OG 3.45Å
322	L	58.5	Low	84.4	Confident	71 Å²	71	50.3 Å²	50.3	37%	0.372	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.7	174	-71.7	174.9	0	0	0	113.3	S324 L350 Y352 G441	L322-S324 PolarHBondContact O-N 2.79Å; L322-L350 HydrophobicContact CD1-CD1 3.86Å; L322-L350 HydrophobicContact CD2-CD1 4.24Å; L322-L350 HydrophobicContact CG-CD1 4.16Å; L322-Y352 HydrophobicContact CD1-CD2 3.95Å; L322-Y352 HydrophobicContact CD1-CE2 4.42Å; L322-G441 WeakPolarHBondContact CD2-O 3.48Å
323	D	60	Low	84.6	Confident	149 Å²	149	47.2 Å²	47.2	80%	0.797	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	7.1	179.2	-66.6	-36	0	0	0	113.4	F321 S325	F321-D323 PolarHBondContact O-N 3.04Å; D323-S325 PolarHBondContact O-N 3.08Å
324	S	70.4	Confident	84.8	Confident	18 Å²	18	44.5 Å²	44.5	13%	0.126	22%	0.22	C	C	.	.			trans	-64	120.8	175.2	-52.6	0	0	0	0	109.1	D307 F321 L322	D307-S324 WeakPolarHBondContact OD2-CA 3.37Å; F321-S324 WeakPolarHBondContact O-CB 2.94Å; F321-S324 PolarHBondContact O-N 2.63Å; F321-S324 PolarHBondContact O-OG 3.45Å; L322-S324 PolarHBondContact O-N 2.79Å
325	S	74.4	Confident	84.7	Confident	59 Å²	59	41.8 Å²	41.8	41%	0.413	21%	0.211	S	C	.	.			trans	-110.4	-28.5	-175.4	66.1	0	0	0	0	111.4	D307 D323 A375	D307-S325 PolarHBondContact OD2-N 3.12Å; D323-S325 PolarHBondContact O-N 3.08Å; S325-A375 CarbonylContact O-C 3.5Å; S325-A375 WeakPolarHBondContact O-CA 3Å; S325-A375 WeakPolarHBondContact O-CB 3.04Å
326	R	85.2	Confident	84.6	Confident	99 Å²	99	45.2 Å²	45.2	37%	0.374	23%	0.226	S	C	.	.			trans	-107	80.1	-180	-63.3	-176.3	-174	-165.1	-0.2	109.9	G305 S306 D307 G371 A375	G305-R326 CarbonylContact C-O 3.58Å; G305-R326 VanDerWaalsContact C-O 3.27Å; G305-R326 WeakPolarHBondContact CA-O 3.42Å; S306-R326 PolarHBondContact N-O 3.03Å; D307-R326 PolarHBondContact N-O 2.75Å; D307-R326 PolarHBondContact OD2-N 2.86Å; R326-G371 PolarHBondContact NH1-O 3.31Å; R326-A375 HydrophobicContact CG-CB 4.09Å
327	T	89.3	Confident	84.4	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	24%	0.241	C	C	.	.			trans	-114.2	15.4	-169.2	64.2	0	0	0	0	114.3	D307 I319 V329 L439	D307-T327 HydrophobicContact CB-CG2 4.45Å; I319-T327 HydrophobicContact CD1-CG2 4.04Å; I319-T327 HydrophobicContact CG2-CG2 3.98Å; T327-V329 PolarHBondContact O-N 3.4Å; T327-L439 VanDerWaalsContact CB-O 3.3Å; T327-L439 WeakPolarHBondContact CB-O 3.42Å; T327-L439 WeakPolarHBondContact CG2-O 3.4Å; T327-L439 PolarHBondContact OG1-N 3.41Å; T327-L439 PolarHBondContact OG1-O 2.76Å
328	L	92.8	Very high	84.2	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.1	-179.9	-83.4	160.1	0	0	0	112.1	R304 G305 F330 L373 P374 P377 L380 F436 F437 T438	R304-L328 CarbonylContact C-O 3.55Å; R304-L328 VanDerWaalsContact CA-O 3.31Å; R304-L328 WeakPolarHBondContact CA-O 3.44Å; G305-L328 PolarHBondContact N-O 2.8Å; L328-F330 HydrophobicContact CB-CE2 4.24Å; L328-F330 HydrophobicContact CB-CZ 4.4Å; L328-F330 HydrophobicContact CD2-CZ 4.44Å; L328-L373 HydrophobicContact CB-CD1 4.43Å; L328-L373 HydrophobicContact CD1-CB 4.21Å; L328-L373 HydrophobicContact CD1-CD2 4.4Å; L328-P374 HydrophobicContact CD1-CG 4.22Å; L328-P377 HydrophobicContact CD2-CB 4.29Å; L328-L380 HydrophobicContact CD1-CD1 3.8Å; L328-L380 HydrophobicContact CD2-CD1 3.88Å; L328-F436 HydrophobicContact CD2-CD2 3.8Å; L328-F436 HydrophobicContact CD2-CE2 4.29Å; L328-F437 WeakPolarHBondContact CA-O 3.19Å; L328-T438 HydrophobicContact CD2-CG2 3.35Å; L328-T438 HydrophobicContact CG-CG2 3.69Å
329	V	95.1	Very high	84.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.6	170.3	-64.5	0	0	0	0	110.3	F300 R304 V308 A317 T327 F436 F437	F300-V329 HydrophobicContact CD1-CB 3.98Å; F300-V329 HydrophobicContact CD1-CG2 3.98Å; F300-V329 HydrophobicContact CE1-CB 4.24Å; F300-V329 HydrophobicContact CE1-CG2 3.7Å; R304-V329 HydrophobicContact CB-CG1 4.31Å; V308-V329 HydrophobicContact CB-CG1 4.25Å; V308-V329 HydrophobicContact CG1-CG1 3.55Å; V308-V329 HydrophobicContact CG2-CG1 3.81Å; A317-V329 HydrophobicContact CB-CG1 3.87Å; A317-V329 HydrophobicContact CB-CG2 4.49Å; T327-V329 PolarHBondContact O-N 3.4Å; V329-F436 CarbonylContact O-C 3.55Å; V329-F436 WeakPolarHBondContact O-CA 3.27Å; V329-F436 WeakPolarHBondContact O-CB 3.33Å; V329-F437 HydrophobicContact CG2-CB 3.75Å; V329-F437 HydrophobicContact CG2-CD2 4.27Å; V329-F437 HydrophobicContact CG2-CG 4.47Å; V329-F437 PolarHBondContact N-O 3.36Å; V329-F437 PolarHBondContact O-N 2.75Å
330	F	96.9	Very high	84.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.6	-176	-56.7	-92.2	0	0	0	110.5	F300 H301 I303 L328 P365 L368 L373 W387 A435 F436	F300-F330 CarbonylContact C-O 3.42Å; F300-F330 WeakPolarHBondContact CA-O 3.29Å; H301-F330 HydrophobicContact CB-CB 4.06Å; H301-F330 PolarHBondContact N-O 3.49Å; I303-F330 WeakPolarHBondContact O-CD2 3.1Å; L328-F330 HydrophobicContact CB-CE2 4.24Å; L328-F330 HydrophobicContact CB-CZ 4.4Å; L328-F330 HydrophobicContact CD2-CZ 4.44Å; F330-P365 HydrophobicContact CB-CB 3.83Å; F330-P365 HydrophobicContact CB-CG 3.56Å; F330-P365 HydrophobicContact CD1-CB 4.35Å; F330-P365 HydrophobicContact CD1-CG 3.99Å; F330-P365 HydrophobicContact CD2-CB 4.37Å; F330-P365 HydrophobicContact CG-CB 3.94Å; F330-P365 HydrophobicContact CG-CG 3.88Å; F330-L368 HydrophobicContact CE1-CD1 4.1Å; F330-L368 HydrophobicContact CE2-CD1 4.35Å; F330-L368 HydrophobicContact CZ-CD1 3.84Å; F330-L373 HydrophobicContact CE2-CD1 4.04Å; F330-L373 HydrophobicContact CE2-CD2 3.96Å; F330-L373 HydrophobicContact CZ-CD2 3.91Å; F330-W387 AromaticContact CE1-CH2 3.79Å; F330-W387 HydrophobicContact CE1-CH2 3.79Å; F330-W387 AromaticContact CE1-CZ3 3.81Å; F330-W387 HydrophobicContact CE1-CZ3 3.81Å; F330-W387 HydrophobicContact CZ-CH2 4.35Å; F330-A435 CarbonylContact C-O 3.45Å; F330-A435 VanDerWaalsContact CA-O 3.3Å; F330-A435 WeakPolarHBondContact CA-O 3.48Å; F330-F436 HydrophobicContact CD1-CB 3.47Å; F330-F436 VanDerWaalsContact CD1-CB 3.47Å; F330-F436 HydrophobicContact CD1-CG 4.42Å; F330-F436 HydrophobicContact CE1-CB 3.71Å; F330-F436 HydrophobicContact CE1-CG 4.26Å; F330-F436 HydrophobicContact CG-CB 4.24Å
331	S	96.8	Very high	86.1	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	147.3	163.6	63.2	0	0	0	0	110.2	R333 A435	S331-R333 VanDerWaalsContact C-N 3.35Å; S331-R333 WeakPolarHBondContact CB-O 3.33Å; S331-R333 PolarHBondContact OG-O 3.05Å; S331-A435 PolarHBondContact N-O 3.28Å; S331-A435 PolarHBondContact OG-N 3.26Å; S331-A435 PolarHBondContact OG-O 3.5Å
332	D	95.2	Very high	87.6	Confident	40 Å²	40	35.7 Å²	35.7	21%	0.214	19%	0.187	C	C	.	.	S	Bend	trans	-82.3	-14.1	-179	71.2	-18.1	0	0	0	114.5	H299 H301 R314	H299-D332 WeakPolarHBondContact CB-OD2 3.33Å; H299-D332 PolarHBondContact N-OD1 3.32Å; H299-D332 IonicContact ND1-OD2 3.48Å; H299-D332 PolarHBondContact O-N 2.8Å; H299-D332 VanDerWaalsContact O-OD1 3.12Å; H301-D332 HydrophobicContact CB-CB 4.15Å; R314-D332 IonicContact CZ-OD2 3.08Å; R314-D332 IonicContact NH1-OD2 2.68Å; R314-D332 PolarHBondContact NH1-OD2 3.35Å; R314-D332 IonicContact NH2-OD2 3.82Å; R314-D332 PolarHBondContact NH2-OD2 2.86Å
333	R	95.1	Very high	89.3	Confident	50 Å²	50	32.3 Å²	32.3	19%	0.189	17%	0.169	C	C	.	.	S	Bend	trans	-133	162.4	167.2	67.8	158.4	178.2	85.2	-6.4	111	L298 S331 H336 E339 T451	L298-R333 HydrophobicContact CD1-CB 4.46Å; L298-R333 HydrophobicContact CD1-CG 3.28Å; S331-R333 VanDerWaalsContact C-N 3.35Å; S331-R333 WeakPolarHBondContact CB-O 3.33Å; S331-R333 PolarHBondContact OG-O 3.05Å; R333-H336 PolarHBondContact NH1-CE1 3.36Å; R333-H336 PolarHBondContact NH1-ND1 3.44Å; R333-E339 IonicContact CZ-OE1 3.16Å; R333-E339 IonicContact CZ-OE2 3.96Å; R333-E339 IonicContact NH1-OE1 3.38Å; R333-E339 PolarHBondContact NH1-OE1 3.22Å; R333-E339 VanDerWaalsContact NH1-OE1 3.17Å; R333-E339 IonicContact NH1-OE2 3.86Å; R333-E339 PolarHBondContact NH1-OE2 3.48Å; R333-E339 IonicContact NH2-OE1 2.84Å; R333-E339 PolarHBondContact NH2-OE1 2.98Å; R333-E339 IonicContact NH2-OE2 2.67Å; R333-T451 PolarHBondContact NH2-OG1 3.12Å
334	P	94.1	Very high	90.9	Very high	31 Å²	31	27.8 Å²	27.8	20%	0.201	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-66	154.7	172.8	28	-35.9	0	0	0	112	V432 L433 W434	P334-V432 HydrophobicContact CB-CG1 3.42Å; P334-V432 VanDerWaalsContact CB-CG1 3.42Å; P334-V432 HydrophobicContact CG-CG1 3.56Å; P334-L433 CarbonylContact C-O 3.27Å; P334-L433 VanDerWaalsContact CA-O 3.22Å; P334-L433 WeakPolarHBondContact CA-O 3.3Å; P334-L433 WeakPolarHBondContact CB-O 3.24Å; P334-W434 HydrophobicContact CB-CD2 4.15Å; P334-W434 HydrophobicContact CB-CE3 4.44Å; P334-W434 HydrophobicContact CB-CZ2 4.43Å; P334-W434 HydrophobicContact CG-CZ2 4.28Å
335	L	93.1	Very high	91.8	Very high	11 Å²	11	27 Å²	27	6%	0.058	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-82.9	136.8	169.7	-66.3	-175.6	0	0	0	110	L298 L341 L360 L433 A435	L298-L335 HydrophobicContact CD2-CD2 3.84Å; L335-L341 HydrophobicContact CD1-CB 4.33Å; L335-L341 HydrophobicContact CD1-CD2 4.3Å; L335-L341 HydrophobicContact CD2-CB 4.24Å; L335-L341 HydrophobicContact CD2-CD2 4.42Å; L335-L360 HydrophobicContact CD1-CD2 4.06Å; L335-L433 PolarHBondContact N-O 3.09Å; L335-A435 HydrophobicContact CD1-CB 3.88Å; L335-A435 HydrophobicContact CG-CB 4.23Å
336	H	90.8	Very high	92.2	Very high	98 Å²	98	24.7 Å²	24.7	45%	0.454	12%	0.123	S	C	.	.	P	Polyproline II helix	trans	-83.8	152.9	175.9	-56.4	94.4	0	0	0	111.3	R333 G338 E339	R333-H336 PolarHBondContact NH1-CE1 3.36Å; R333-H336 PolarHBondContact NH1-ND1 3.44Å; H336-G338 PolarHBondContact O-N 2.8Å; H336-E339 HydrophobicContact CB-CB 4.12Å; H336-E339 IonicContact CG-OE2 2.56Å; H336-E339 PolarHBondContact N-OE2 3.47Å; H336-E339 IonicContact ND1-OE2 3.49Å; H336-E339 PolarHBondContact ND1-OE2 3.32Å; H336-E339 WeakPolarHBondContact O-CB 3.35Å; H336-E339 PolarHBondContact O-N 3.32Å
337	V	88.9	Confident	91.6	Very high	61 Å²	61	22.2 Å²	22.2	37%	0.37	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	131.9	170	175.4	0	0	0	0	109.2	E339 L406 P408 Q453	V337-E339 VanDerWaalsContact C-N 3.29Å; V337-L406 HydrophobicContact CG2-CD2 4.3Å; V337-P408 HydrophobicContact CG1-CB 3.82Å; V337-P408 HydrophobicContact CG1-CG 3.72Å; V337-Q453 PolarHBondContact O-NE2 2.8Å
338	G	88	Confident	90.3	Very high	9 Å²	9	26.1 Å²	26.1	9%	0.093	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	0.5	-171	0	0	0	0	0	114	H336 L406 S454	H336-G338 PolarHBondContact O-N 2.8Å; G338-L406 WeakPolarHBondContact CA-O 3.41Å; G338-L406 PolarHBondContact N-O 3.05Å; G338-S454 WeakPolarHBondContact O-CB 3.44Å; G338-S454 PolarHBondContact O-N 3.04Å; G338-S454 PolarHBondContact O-OG 3.49Å; G338-S454 VanDerWaalsContact O-OG 3.07Å
339	E	91.9	Very high	88.5	Confident	4 Å²	4	29 Å²	29	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.1	177.8	-165.4	169.9	-169.7	0	0	111.1	R333 H336 V337 L406 T451	R333-E339 IonicContact CZ-OE1 3.16Å; R333-E339 IonicContact CZ-OE2 3.96Å; R333-E339 IonicContact NH1-OE1 3.38Å; R333-E339 PolarHBondContact NH1-OE1 3.22Å; R333-E339 VanDerWaalsContact NH1-OE1 3.17Å; R333-E339 IonicContact NH1-OE2 3.86Å; R333-E339 PolarHBondContact NH1-OE2 3.48Å; R333-E339 IonicContact NH2-OE1 2.84Å; R333-E339 PolarHBondContact NH2-OE1 2.98Å; R333-E339 IonicContact NH2-OE2 2.67Å; H336-E339 HydrophobicContact CB-CB 4.12Å; H336-E339 IonicContact CG-OE2 2.56Å; H336-E339 PolarHBondContact N-OE2 3.47Å; H336-E339 IonicContact ND1-OE2 3.49Å; H336-E339 PolarHBondContact ND1-OE2 3.32Å; H336-E339 WeakPolarHBondContact O-CB 3.35Å; H336-E339 PolarHBondContact O-N 3.32Å; V337-E339 VanDerWaalsContact C-N 3.29Å; E339-L406 PolarHBondContact O-N 2.87Å; E339-T451 HydrophobicContact CG-CG2 4.35Å; E339-T451 WeakPolarHBondContact OE1-CB 3.37Å; E339-T451 VanDerWaalsContact OE1-CG2 3.25Å; E339-T451 WeakPolarHBondContact OE1-CG2 3.2Å; E339-T451 PolarHBondContact OE1-OG1 3.43Å
340	T	93.8	Very high	86.7	Confident	15 Å²	15	32.2 Å²	32.2	9%	0.092	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.4	172.1	-57.8	0	0	0	0	110.5	Y342 F404 S405 T451 L452	T340-Y342 HydrophobicContact CG2-CD2 4.23Å; T340-Y342 HydrophobicContact CG2-CE1 4.32Å; T340-Y342 HydrophobicContact CG2-CE2 3.58Å; T340-F404 CarbonylContact C-O 3.45Å; T340-F404 VanDerWaalsContact CA-O 3.29Å; T340-F404 WeakPolarHBondContact CA-O 3.48Å; T340-S405 WeakPolarHBondContact CG2-OG 3.39Å; T340-S405 WeakPolarHBondContact OG1-CB 3.37Å; T340-S405 PolarHBondContact OG1-OG 3.5Å; T340-T451 CarbonylContact O-C 3.58Å; T340-T451 WeakPolarHBondContact O-CA 3.38Å; T340-T451 WeakPolarHBondContact O-CB 3.22Å; T340-L452 PolarHBondContact N-O 2.84Å; T340-L452 PolarHBondContact O-N 2.78Å
341	L	95.4	Very high	84.2	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.9	174.9	168.9	56.3	0	0	0	110.8	L298 L335 V343 S403 F404 A435 F437 I448 T451	L298-L341 HydrophobicContact CD2-CD1 3.46Å; L298-L341 VanDerWaalsContact CD2-CD1 3.46Å; L298-L341 HydrophobicContact CD2-CD2 4.18Å; L298-L341 HydrophobicContact CD2-CG 4.34Å; L335-L341 HydrophobicContact CD1-CB 4.33Å; L335-L341 HydrophobicContact CD1-CD2 4.3Å; L335-L341 HydrophobicContact CD2-CB 4.24Å; L335-L341 HydrophobicContact CD2-CD2 4.42Å; L341-V343 HydrophobicContact CD1-CG1 4Å; L341-V343 HydrophobicContact CD2-CG1 4.35Å; L341-V343 HydrophobicContact CG-CG1 4.01Å; L341-S403 CarbonylContact O-C 3.49Å; L341-S403 VanDerWaalsContact O-CA 3.28Å; L341-S403 WeakPolarHBondContact O-CA 3.47Å; L341-F404 HydrophobicContact CB-CB 4.42Å; L341-F404 PolarHBondContact N-O 2.94Å; L341-F404 PolarHBondContact O-N 3.41Å; L341-A435 HydrophobicContact CD2-CB 4.08Å; L341-F437 HydrophobicContact CD2-CE2 4.12Å; L341-F437 HydrophobicContact CD2-CZ 3.79Å; L341-I448 HydrophobicContact CD1-CG2 4.03Å; L341-T451 HydrophobicContact CD1-CG2 4.12Å
342	Y	94.4	Very high	81.7	Confident	27 Å²	27	44.5 Å²	44.5	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.5	174.1	-64.7	-92.1	0	0	0	111.2	L290 P291 L294 T340 V401 L402 L449 G450 L452	L290-Y342 HydrophobicContact CD1-CD1 4.02Å; L290-Y342 HydrophobicContact CD1-CG 4.27Å; P291-Y342 HydrophobicContact CG-CE1 4.3Å; P291-Y342 HydrophobicContact CG-CE2 4.14Å; P291-Y342 VanDerWaalsContact CG-OH 3.31Å; P291-Y342 WeakPolarHBondContact CG-OH 3.28Å; L294-Y342 HydrophobicContact CD1-CD2 4.04Å; L294-Y342 HydrophobicContact CD1-CG 4.14Å; L294-Y342 HydrophobicContact CD2-CD2 3.49Å; L294-Y342 VanDerWaalsContact CD2-CD2 3.49Å; L294-Y342 HydrophobicContact CD2-CE2 3.59Å; L294-Y342 HydrophobicContact CD2-CG 4.32Å; L294-Y342 HydrophobicContact CG-CD2 4.46Å; T340-Y342 HydrophobicContact CG2-CD2 4.23Å; T340-Y342 HydrophobicContact CG2-CE1 4.32Å; T340-Y342 HydrophobicContact CG2-CE2 3.58Å; Y342-V401 HydrophobicContact CD1-CG1 4.14Å; Y342-L402 WeakPolarHBondContact CA-O 3.07Å; Y342-L449 PolarHBondContact O-N 2.94Å; Y342-G450 PolarHBondContact N-O 3.16Å; Y342-L452 HydrophobicContact CE2-CB 3.84Å
343	V	94.2	Very high	79.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.2	175.8	-59.1	0	0	0	0	111.1	L341 V401 L402 F404 F437 L446 R447 I448	L341-V343 HydrophobicContact CD1-CG1 4Å; L341-V343 HydrophobicContact CD2-CG1 4.35Å; L341-V343 HydrophobicContact CG-CG1 4.01Å; V343-V401 CarbonylContact O-C 3.59Å; V343-V401 WeakPolarHBondContact O-CA 3.26Å; V343-L402 HydrophobicContact CG2-CB 3.87Å; V343-L402 PolarHBondContact N-O 3.46Å; V343-L402 PolarHBondContact O-N 3.16Å; V343-F404 HydrophobicContact CG2-CD2 4.3Å; V343-F404 HydrophobicContact CG2-CE2 3.66Å; V343-F437 HydrophobicContact CG1-CE1 4.47Å; V343-F437 HydrophobicContact CG1-CZ 3.95Å; V343-F437 HydrophobicContact CG2-CE1 4.24Å; V343-F437 HydrophobicContact CG2-CZ 4.48Å; V343-L446 HydrophobicContact CB-CD1 3.91Å; V343-L446 HydrophobicContact CB-CG 4.24Å; V343-L446 HydrophobicContact CG2-CD1 3.83Å; V343-R447 CarbonylContact C-O 3.42Å; V343-R447 WeakPolarHBondContact CA-O 3.09Å; V343-I448 HydrophobicContact CG1-CG1 4.14Å
344	E	92.5	Very high	77.5	Confident	53 Å²	53	49.6 Å²	49.6	25%	0.248	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.2	172.7	-179.3	-172	178.1	0	0	110.2	D400 L446 R447 L449	E344-D400 WeakPolarHBondContact CA-O 3.37Å; E344-L446 CarbonylContact O-C 3.53Å; E344-L446 WeakPolarHBondContact O-CA 3.45Å; E344-R447 HydrophobicContact CB-CB 4.36Å; E344-R447 PolarHBondContact N-O 2.83Å; E344-R447 PolarHBondContact O-N 2.95Å; E344-R447 IonicContact OE2-CZ 3.37Å; E344-R447 IonicContact OE2-NE 3.03Å; E344-R447 PolarHBondContact OE2-NE 2.96Å; E344-R447 IonicContact OE2-NH2 2.86Å; E344-R447 PolarHBondContact OE2-NH2 3Å; E344-L449 HydrophobicContact CB-CD1 4.22Å; E344-L449 HydrophobicContact CB-CD2 3.89Å; E344-L449 HydrophobicContact CB-CG 4.13Å
345	V	88.9	Confident	76	Confident	1 Å²	1	50 Å²	50	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.7	-179.6	-172.5	0	0	0	0	110.6	M356 P396 G399 D400 L402 V443 L446	V345-M356 HydrophobicContact CG2-SD 3.74Å; V345-P396 HydrophobicContact CB-CB 4.27Å; V345-P396 HydrophobicContact CB-CG 4.44Å; V345-P396 HydrophobicContact CG1-CB 4.15Å; V345-P396 HydrophobicContact CG1-CG 3.81Å; V345-P396 HydrophobicContact CG2-CB 4.32Å; V345-P396 HydrophobicContact CG2-CG 4.48Å; V345-G399 PolarHBondContact O-N 2.93Å; V345-D400 PolarHBondContact N-O 3.31Å; V345-L402 HydrophobicContact CG2-CD1 3.7Å; V345-L402 HydrophobicContact CG2-CG 3.92Å; V345-V443 HydrophobicContact CG1-CB 4.24Å; V345-V443 HydrophobicContact CG1-CG1 3.51Å; V345-V443 HydrophobicContact CG1-CG2 3.75Å; V345-L446 HydrophobicContact CG2-CD1 4Å
346	G	82.9	Confident	75.6	Confident	11 Å²	11	49.5 Å²	49.5	11%	0.113	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.9	172.4	0	0	0	0	0	112.6	N444 R445	G346-N444 PolarHBondContact O-N 2.97Å; G346-N444 VanDerWaalsContact O-N 3.09Å; G346-N444 PolarHBondContact O-OD1 2.9Å; G346-R445 PolarHBondContact N-O 2.82Å; G346-R445 PolarHBondContact O-N 2.97Å
347	H	72.9	Confident	75.4	Confident	48 Å²	48	45 Å²	45	22%	0.222	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.3	-171.4	-173.1	-96.4	0	0	0	111.4	G349 L350 S398 A442 N444	H347-G349 VanDerWaalsContact C-N 3.31Å; H347-G349 PolarHBondContact CE1-N 2.84Å; H347-G349 VanDerWaalsContact ND1-CA 3.29Å; H347-G349 WeakPolarHBondContact ND1-CA 3.04Å; H347-G349 PolarHBondContact ND1-N 2.75Å; H347-G349 PolarHBondContact O-N 2.56Å; H347-L350 PolarHBondContact CE1-O 2.87Å; H347-S398 PolarHBondContact N-OG 3.5Å; H347-A442 WeakPolarHBondContact CD2-CB 3.41Å; H347-A442 PolarHBondContact CD2-O 2.77Å; H347-A442 WeakPolarHBondContact NE2-CB 3.46Å; H347-N444 PolarHBondContact N-OD1 2.86Å
348	L	63.5	Low	75.5	Confident	83 Å²	83	42.1 Å²	42.1	44%	0.435	24%	0.235	S	C	.	.			trans	-83.2	1.7	178.8	-76.6	169.4	0	0	0	115.1	L350 A442 N444	L348-L350 HydrophobicContact CB-CD1 4.05Å; L348-L350 HydrophobicContact CB-CG 4.05Å; L348-L350 HydrophobicContact CD1-CD1 4.46Å; L348-L350 PolarHBondContact O-N 3.04Å; L348-A442 PolarHBondContact N-O 3.09Å; L348-N444 HydrophobicContact CD1-CB 3.72Å; L348-N444 WeakPolarHBondContact CD2-ND2 3.19Å; L348-N444 HydrophobicContact CG-CB 3.74Å; L348-N444 VanDerWaalsContact CG-CG 3.4Å; L348-N444 WeakPolarHBondContact CG-ND2 3.38Å
349	G	54.5	Low	75.6	Confident	64 Å²	64	41.7 Å²	41.7	66%	0.66	23%	0.231	S	C	*	.			trans	70.8	15	-178.1	0	0	0	0	0	114.1	H347	H347-G349 VanDerWaalsContact C-N 3.31Å; H347-G349 PolarHBondContact CE1-N 2.84Å; H347-G349 VanDerWaalsContact ND1-CA 3.29Å; H347-G349 WeakPolarHBondContact ND1-CA 3.04Å; H347-G349 PolarHBondContact ND1-N 2.75Å; H347-G349 PolarHBondContact O-N 2.56Å
350	L	56.5	Low	75.5	Confident	68 Å²	68	41.6 Å²	41.6	36%	0.356	23%	0.23	S	C	.	.			trans	-85.4	147.7	-178.1	-63.7	174.5	0	0	0	111.2	L322 H347 L348 Y352	L322-L350 HydrophobicContact CD1-CD1 3.86Å; L322-L350 HydrophobicContact CD2-CD1 4.24Å; L322-L350 HydrophobicContact CG-CD1 4.16Å; H347-L350 PolarHBondContact CE1-O 2.87Å; L348-L350 HydrophobicContact CB-CD1 4.05Å; L348-L350 HydrophobicContact CB-CG 4.05Å; L348-L350 HydrophobicContact CD1-CD1 4.46Å; L348-L350 PolarHBondContact O-N 3.04Å; L350-Y352 HydrophobicContact CB-CD2 4.24Å; L350-Y352 PolarHBondContact O-N 2.79Å; L350-Y352 VanDerWaalsContact O-N 3.11Å
351	P	45.3	Very low	75.4	Confident	115 Å²	115	40.9 Å²	40.9	75%	0.747	23%	0.226	S	C	*	.	S	Bend	trans	-74.5	3.2	-177.6	31.7	-36.6	0	0	0	113.8
352	Y	43.7	Very low	75	Confident	144 Å²	144	42.5 Å²	42.5	57%	0.565	24%	0.237	S	C	*	.	S	Bend	trans	-83.7	136.2	-174.8	-68.7	-74.7	0	0	0	111.4	L322 L350 A442	L322-Y352 HydrophobicContact CD1-CD2 3.95Å; L322-Y352 HydrophobicContact CD1-CE2 4.42Å; L350-Y352 HydrophobicContact CB-CD2 4.24Å; L350-Y352 PolarHBondContact O-N 2.79Å; L350-Y352 VanDerWaalsContact O-N 3.11Å; Y352-A442 WeakPolarHBondContact O-CB 3.2Å
353	F	48.4	Very low	74.8	Confident	189 Å²	189	41.5 Å²	41.5	83%	0.829	23%	0.234	S	C	*	.			trans	-55.6	134	174.6	-61.4	-89.2	0	0	0	111.4
354	G	53	Low	74.6	Confident	8 Å²	8	44.4 Å²	44.4	8%	0.082	25%	0.25	C	C	.	.			trans	-161.6	118	170.9	0	0	0	0	0	112.4	H440	G354-H440 CarbonylContact C-O 3.4Å; G354-H440 VanDerWaalsContact CA-O 3.29Å; G354-H440 WeakPolarHBondContact CA-O 3.3Å
355	A	64	Low	74.6	Confident	40 Å²	40	41.9 Å²	41.9	33%	0.331	24%	0.238	S	C	.	.			trans	-102.1	134.3	170.6	0	0	0	0	0	108.5	H440	A355-H440 WeakPolarHBondContact O-CB 3.45Å
356	M	83.3	Confident	74.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.263	C	S	.	.			trans	-72.1	159.1	162	62.5	-179.4	-76.3	0	0	109.9	V345 F393 L402 F437 T438 V443 L446	V345-M356 HydrophobicContact CG2-SD 3.74Å; M356-F393 HydrophobicContact CG-CD2 4.16Å; M356-F393 HydrophobicContact CG-CG 4.39Å; M356-F393 VanDerWaalsContact O-CD2 3.22Å; M356-F393 WeakPolarHBondContact O-CD2 3.39Å; M356-L402 HydrophobicContact CE-CD1 3.88Å; M356-L402 HydrophobicContact SD-CD1 3.33Å; M356-L402 WeakPolarHBondContact SD-CD1 3.3Å; M356-F437 HydrophobicContact CE-CD1 3.5Å; M356-F437 HydrophobicContact CE-CE1 3.89Å; M356-T438 WeakPolarHBondContact CA-O 3.32Å; M356-V443 HydrophobicContact CB-CG1 4.46Å; M356-L446 HydrophobicContact CE-CD1 3.95Å; M356-L446 HydrophobicContact CE-CD2 4.39Å; M356-L446 HydrophobicContact SD-CD1 4.29Å
357	S	87.3	Confident	74.9	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.028	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	151.7	167.5	-44.2	0	0	0	0	109.8	F437 T438	S357-F437 VanDerWaalsContact O-CA 3.31Å; S357-F437 WeakPolarHBondContact O-CA 3.43Å; S357-T438 VanDerWaalsContact CB-OG1 3.26Å; S357-T438 WeakPolarHBondContact CB-OG1 3.39Å; S357-T438 PolarHBondContact N-O 2.92Å; S357-T438 PolarHBondContact O-N 2.67Å; S357-T438 VanDerWaalsContact O-N 3.1Å; S357-T438 PolarHBondContact OG-OG1 3.03Å
358	F	91.8	Very high	75.5	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.6	177	169.1	-101.5	0	0	0	109	L360 H390 F393 F404 V412 L424 L425 A435 F437	F358-L360 HydrophobicContact CE1-CG 4.35Å; F358-L360 HydrophobicContact CZ-CD2 4.25Å; F358-L360 HydrophobicContact CZ-CG 4.11Å; F358-H390 PolarHBondContact N-O 2.92Å; F358-H390 PolarHBondContact O-N 2.99Å; F358-F393 HydrophobicContact CB-CE2 3.8Å; F358-F393 HydrophobicContact CB-CZ 3.66Å; F358-F404 HydrophobicContact CB-CE1 3.99Å; F358-F404 HydrophobicContact CB-CZ 4.11Å; F358-F404 AromaticContact CD1-CD1 3.72Å; F358-F404 HydrophobicContact CD1-CD1 3.72Å; F358-F404 AromaticContact CD1-CE1 3.79Å; F358-F404 HydrophobicContact CD1-CE1 3.79Å; F358-F404 HydrophobicContact CD1-CG 4.46Å; F358-F404 HydrophobicContact CD2-CD1 4.17Å; F358-F404 HydrophobicContact CD2-CD2 4.33Å; F358-F404 HydrophobicContact CD2-CE1 4.13Å; F358-F404 HydrophobicContact CD2-CE2 4.27Å; F358-F404 HydrophobicContact CD2-CG 4.27Å; F358-F404 HydrophobicContact CD2-CZ 4.17Å; F358-F404 HydrophobicContact CE1-CB 4.44Å; F358-F404 AromaticContact CE1-CD1 3.75Å; F358-F404 HydrophobicContact CE1-CD1 3.75Å; F358-F404 HydrophobicContact CE1-CE1 4.3Å; F358-F404 HydrophobicContact CE1-CG 4.21Å; F358-F404 HydrophobicContact CE2-CB 4.33Å; F358-F404 HydrophobicContact CE2-CD1 4.16Å; F358-F404 HydrophobicContact CE2-CD2 4.2Å; F358-F404 AromaticContact CE2-CG 3.96Å; F358-F404 HydrophobicContact CE2-CG 3.96Å; F358-F404 AromaticContact CG-CD1 3.92Å; F358-F404 HydrophobicContact CG-CD1 3.92Å; F358-F404 AromaticContact CG-CE1 3.67Å; F358-F404 HydrophobicContact CG-CE1 3.67Å; F358-F404 HydrophobicContact CG-CG 4.47Å; F358-F404 HydrophobicContact CG-CZ 4.01Å; F358-F404 HydrophobicContact CZ-CB 3.98Å; F358-F404 AromaticContact CZ-CD1 3.95Å; F358-F404 HydrophobicContact CZ-CD1 3.95Å; F358-F404 AromaticContact CZ-CG 3.92Å; F358-F404 HydrophobicContact CZ-CG 3.92Å; F358-V412 HydrophobicContact CE1-CG1 4.01Å; F358-L424 HydrophobicContact CD1-CD2 3.51Å; F358-L424 HydrophobicContact CE1-CD2 4.09Å; F358-L424 HydrophobicContact CG-CD2 4.42Å; F358-L425 HydrophobicContact CD1-CD2 4.03Å; F358-L425 HydrophobicContact CE1-CD2 4.2Å; F358-A435 HydrophobicContact CE2-CB 4.05Å; F358-F437 HydrophobicContact CB-CD1 4.3Å; F358-F437 HydrophobicContact CB-CE1 4.38Å; F358-F437 AromaticContact CD2-CD1 3.81Å; F358-F437 HydrophobicContact CD2-CD1 3.81Å; F358-F437 AromaticContact CD2-CE1 3.32Å; F358-F437 HydrophobicContact CD2-CE1 3.32Å; F358-F437 HydrophobicContact CD2-CE2 4.38Å; F358-F437 AromaticContact CD2-CZ 3.64Å; F358-F437 HydrophobicContact CD2-CZ 3.64Å; F358-F437 HydrophobicContact CE2-CE1 4.01Å; F358-F437 AromaticContact CE2-CZ 3.85Å; F358-F437 HydrophobicContact CE2-CZ 3.85Å; F358-F437 HydrophobicContact CG-CE1 4.26Å
359	G	89.4	Confident	76.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	171.5	177	0	0	0	0	0	113.5	V388 F436	G359-V388 CarbonylContact C-O 3.56Å; G359-V388 WeakPolarHBondContact CA-O 3.37Å; G359-F436 VanDerWaalsContact CA-CE1 3.46Å; G359-F436 PolarHBondContact N-O 2.94Å; G359-F436 WeakPolarHBondContact O-CD1 3.45Å; G359-F436 PolarHBondContact O-N 3.39Å
360	L	90.4	Very high	78	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.6	175.3	-72.2	167.7	0	0	0	109.8	L335 F358 V388 V412 L425 V427 L433 W434 A435 F436	L335-L360 HydrophobicContact CD1-CD2 4.06Å; F358-L360 HydrophobicContact CE1-CG 4.35Å; F358-L360 HydrophobicContact CZ-CD2 4.25Å; F358-L360 HydrophobicContact CZ-CG 4.11Å; L360-V388 PolarHBondContact N-O 2.87Å; L360-V388 PolarHBondContact O-N 2.89Å; L360-V412 HydrophobicContact CD1-CG2 3.57Å; L360-L425 HydrophobicContact CD1-CD1 4.37Å; L360-V427 HydrophobicContact CB-CG1 3.98Å; L360-V427 HydrophobicContact CD1-CB 4.44Å; L360-V427 HydrophobicContact CD1-CG1 3.6Å; L360-V427 HydrophobicContact CD1-CG2 4.12Å; L360-V427 HydrophobicContact CG-CG1 4.42Å; L360-L433 HydrophobicContact CB-CB 4.47Å; L360-L433 HydrophobicContact CD1-CD1 4.42Å; L360-L433 HydrophobicContact CD2-CB 4.28Å; L360-W434 CarbonylContact C-O 3.47Å; L360-W434 VanDerWaalsContact CA-O 3.3Å; L360-W434 WeakPolarHBondContact CA-O 3.44Å; L360-A435 HydrophobicContact CD2-CB 4.12Å; L360-F436 VanDerWaalsContact N-CE1 3.34Å
361	T	91	Very high	79	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.8	-179.9	-177.1	0	0	0	0	112.7	C363 Y386 W387 L433 W434 F436	T361-C363 VanDerWaalsContact C-N 3.28Å; T361-C363 HydrophobicContact CG2-CB 4.24Å; T361-C363 VanDerWaalsContact OG1-CB 3.3Å; T361-C363 WeakPolarHBondContact OG1-CB 3.18Å; T361-C363 PolarHBondContact OG1-N 2.8Å; T361-Y386 CarbonylContact C-O 3.58Å; T361-Y386 WeakPolarHBondContact CA-O 3.38Å; T361-Y386 WeakPolarHBondContact CB-O 3.37Å; T361-Y386 PolarHBondContact OG1-O 3.04Å; T361-W387 HydrophobicContact CG2-CE3 3.96Å; T361-W387 HydrophobicContact CG2-CH2 3.85Å; T361-W387 HydrophobicContact CG2-CZ2 4.46Å; T361-W387 HydrophobicContact CG2-CZ3 3.58Å; T361-W387 VanDerWaalsContact OG1-CE2 3.22Å; T361-L433 CarbonylContact O-C 3.49Å; T361-L433 VanDerWaalsContact O-CA 3.25Å; T361-L433 WeakPolarHBondContact O-CA 3.18Å; T361-W434 HydrophobicContact CG2-CB 4.12Å; T361-W434 PolarHBondContact N-O 3.42Å; T361-W434 PolarHBondContact O-N 3.38Å; T361-F436 HydrophobicContact CG2-CD1 4.13Å
362	S	87.6	Confident	80.6	Confident	35 Å²	35	47.8 Å²	47.8	25%	0.245	28%	0.275	C	S	.	.	S	Bend	trans	-86	1.1	167	77.8	0	0	0	0	113.6	Y386 V432	S362-Y386 PolarHBondContact N-O 3.23Å; S362-Y386 VanDerWaalsContact OG-CB 3.24Å; S362-Y386 WeakPolarHBondContact OG-CB 3.42Å; S362-Y386 PolarHBondContact OG-N 3.36Å; S362-Y386 VanDerWaalsContact OG-N 3.13Å; S362-V432 VanDerWaalsContact CA-O 3.3Å; S362-V432 WeakPolarHBondContact CA-O 3.46Å
363	C	88.8	Confident	82.5	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.041	25%	0.249	C	C	.	.	S	Bend	trans	-78.6	120.6	175	-171.8	0	0	0	0	109.6	T361 P365 E385 W387	T361-C363 VanDerWaalsContact C-N 3.28Å; T361-C363 HydrophobicContact CG2-CB 4.24Å; T361-C363 VanDerWaalsContact OG1-CB 3.3Å; T361-C363 WeakPolarHBondContact OG1-CB 3.18Å; T361-C363 PolarHBondContact OG1-N 2.8Å; C363-P365 VanDerWaalsContact O-CD 3.28Å; C363-P365 WeakPolarHBondContact O-CD 3.21Å; C363-E385 HydrophobicContact CB-CB 3.76Å; C363-E385 HydrophobicContact CB-CG 3.88Å; C363-W387 HydrophobicContact CB-CH2 3.99Å; C363-W387 HydrophobicContact CB-CZ2 3.38Å
364	D	91.4	Very high	84	Confident	62 Å²	62	33.4 Å²	33.4	33%	0.332	22%	0.218	S	C	.	.			trans	-62.1	120.6	167.3	-174	-17.6	0	0	0	109.4	A366 C367 W434	D364-A366 PolarHBondContact O-N 3.19Å; D364-A366 VanDerWaalsContact O-N 3.16Å; D364-A366 VanDerWaalsContact OD1-CB 3.29Å; D364-A366 WeakPolarHBondContact OD1-CB 3.49Å; D364-A366 PolarHBondContact OD1-N 2.9Å; D364-C367 WeakPolarHBondContact O-CB 3.42Å; D364-C367 PolarHBondContact O-N 3.15Å; D364-W434 HydrophobicContact CB-CH2 4.07Å; D364-W434 HydrophobicContact CB-CZ2 4.03Å
365	P	92.2	Very high	85.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.5	-23.7	177.1	-25	35.8	0	0	0	113.8	H301 I303 F330 C363 C367 L368 W434	H301-P365 HydrophobicContact CB-CB 4.24Å; I303-P365 WeakPolarHBondContact CG1-O 3.15Å; F330-P365 HydrophobicContact CB-CB 3.83Å; F330-P365 HydrophobicContact CB-CG 3.56Å; F330-P365 HydrophobicContact CD1-CB 4.35Å; F330-P365 HydrophobicContact CD1-CG 3.99Å; F330-P365 HydrophobicContact CD2-CB 4.37Å; F330-P365 HydrophobicContact CG-CB 3.94Å; F330-P365 HydrophobicContact CG-CG 3.88Å; C363-P365 VanDerWaalsContact O-CD 3.28Å; C363-P365 WeakPolarHBondContact O-CD 3.21Å; P365-C367 PolarHBondContact O-N 2.68Å; P365-L368 WeakPolarHBondContact O-CB 3.37Å; P365-L368 PolarHBondContact O-N 3.47Å; P365-W434 HydrophobicContact CG-CB 4.17Å; P365-W434 HydrophobicContact CG-CG 3.95Å
366	A	91.2	Very high	86	Confident	63 Å²	63	34.8 Å²	34.8	52%	0.521	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-66.5	-22.9	175.4	0	0	0	0	0	112.9	D364 L368	D364-A366 PolarHBondContact O-N 3.19Å; D364-A366 VanDerWaalsContact O-N 3.16Å; D364-A366 VanDerWaalsContact OD1-CB 3.29Å; D364-A366 WeakPolarHBondContact OD1-CB 3.49Å; D364-A366 PolarHBondContact OD1-N 2.9Å; A366-L368 VanDerWaalsContact C-N 3.29Å
367	C	86.4	Confident	85.8	Confident	95 Å²	95	34.8 Å²	34.8	64%	0.642	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-83	-4.4	175.9	-65.2	0	0	0	0	113.3	D364 P365	D364-C367 WeakPolarHBondContact O-CB 3.42Å; D364-C367 PolarHBondContact O-N 3.15Å; P365-C367 PolarHBondContact O-N 2.68Å
368	L	86.6	Confident	85.2	Confident	12 Å²	12	35.7 Å²	35.7	6%	0.063	23%	0.227	C	C	.	.			trans	-98.7	147.3	-178.2	-61.4	175.6	0	0	0	111.1	I303 F330 P365 A366 L373 W387	I303-L368 WeakPolarHBondContact CD1-O 3.22Å; I303-L368 HydrophobicContact CG2-CB 4.01Å; F330-L368 HydrophobicContact CE1-CD1 4.1Å; F330-L368 HydrophobicContact CE2-CD1 4.35Å; F330-L368 HydrophobicContact CZ-CD1 3.84Å; P365-L368 WeakPolarHBondContact O-CB 3.37Å; P365-L368 PolarHBondContact O-N 3.47Å; A366-L368 VanDerWaalsContact C-N 3.29Å; L368-L373 HydrophobicContact CB-CD2 4.48Å; L368-L373 HydrophobicContact CD1-CD2 4.16Å; L368-W387 HydrophobicContact CD1-CH2 3.99Å; L368-W387 HydrophobicContact CD1-CZ2 4.39Å
369	H	85.5	Confident	84.4	Confident	130 Å²	130	37.8 Å²	37.8	60%	0.602	24%	0.24	S	C	*	.			trans	-102.7	133.9	170.8	-56.8	98.2	0	0	0	110	G371 D372	H369-G371 PolarHBondContact O-N 3.38Å; H369-G371 VanDerWaalsContact O-N 3.09Å; H369-D372 HydrophobicContact CB-CB 4.45Å; H369-D372 IonicContact CG-OD2 3.76Å; H369-D372 IonicContact ND1-OD2 3.87Å; H369-D372 PolarHBondContact O-N 2.96Å
370	S	83.2	Confident	83.7	Confident	46 Å²	46	37.9 Å²	37.9	32%	0.322	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-57.4	-28.5	-178.7	-54.1	0	0	0	0	113.9	R304 D372	R304-S370 WeakPolarHBondContact O-CB 3.48Å; R304-S370 PolarHBondContact O-OG 2.97Å; S370-D372 VanDerWaalsContact C-N 3.35Å
371	G	77.4	Confident	82.8	Confident	55 Å²	55	39.4 Å²	39.4	57%	0.567	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-72.8	-25.1	177.3	0	0	0	0	0	114.4	R326 H369	R326-G371 PolarHBondContact NH1-O 3.31Å; H369-G371 PolarHBondContact O-N 3.38Å; H369-G371 VanDerWaalsContact O-N 3.09Å
372	D	79.1	Confident	81.5	Confident	112 Å²	112	41.9 Å²	41.9	60%	0.599	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-91.3	-5.3	-177.1	-63.1	-24.4	0	0	0	112.5	H369 S370	H369-D372 HydrophobicContact CB-CB 4.45Å; H369-D372 IonicContact CG-OD2 3.76Å; H369-D372 IonicContact ND1-OD2 3.87Å; H369-D372 PolarHBondContact O-N 2.96Å; S370-D372 VanDerWaalsContact C-N 3.35Å
373	L	84.5	Confident	80.5	Confident	5 Å²	5	44 Å²	44	3%	0.026	27%	0.265	C	S	.	.			trans	-69.8	124.6	178.3	-65.7	177.1	0	0	0	110.2	I303 R304 L328 F330 L368	I303-L373 HydrophobicContact CG2-CD1 4.17Å; R304-L373 WeakPolarHBondContact O-CD1 3.38Å; L328-L373 HydrophobicContact CB-CD1 4.43Å; L328-L373 HydrophobicContact CD1-CB 4.21Å; L328-L373 HydrophobicContact CD1-CD2 4.4Å; F330-L373 HydrophobicContact CE2-CD1 4.04Å; F330-L373 HydrophobicContact CE2-CD2 3.96Å; F330-L373 HydrophobicContact CZ-CD2 3.91Å; L368-L373 HydrophobicContact CB-CD2 4.48Å; L368-L373 HydrophobicContact CD1-CD2 4.16Å
374	P	80.8	Confident	79.3	Confident	27 Å²	27	51.2 Å²	51.2	18%	0.175	30%	0.295	C	S	.	.			trans	-72.9	157.1	-177	31.4	-35.7	0	0	0	111.3	L328 D376 V379 L380	L328-P374 HydrophobicContact CD1-CG 4.22Å; P374-D376 WeakPolarHBondContact CB-O 3.26Å; P374-D376 WeakPolarHBondContact CG-O 3.4Å; P374-V379 HydrophobicContact CB-CB 4.05Å; P374-V379 HydrophobicContact CB-CG1 4.41Å; P374-V379 HydrophobicContact CB-CG2 4.42Å; P374-V379 HydrophobicContact CG-CB 4.19Å; P374-L380 HydrophobicContact CG-CD2 3.77Å; P374-L380 HydrophobicContact CG-CG 3.87Å
375	A	78.5	Confident	78.7	Confident	39 Å²	39	50 Å²	50	32%	0.322	29%	0.287	S	S	.	.	S	Bend	trans	-72.7	-37.3	170.3	0	0	0	0	0	112.1	S325 R326	S325-A375 CarbonylContact O-C 3.5Å; S325-A375 WeakPolarHBondContact O-CA 3Å; S325-A375 WeakPolarHBondContact O-CB 3.04Å; R326-A375 HydrophobicContact CG-CB 4.09Å
376	D	80.1	Confident	77.9	Confident	37 Å²	37	51.4 Å²	51.4	20%	0.198	29%	0.293	C	S	.	.	S	Bend	trans	-95.6	117.1	173.1	-178	8.6	0	0	0	109.9	P374 E378 V379 R391	P374-D376 WeakPolarHBondContact CB-O 3.26Å; P374-D376 WeakPolarHBondContact CG-O 3.4Å; D376-E378 PolarHBondContact O-N 2.77Å; D376-E378 PolarHBondContact OD1-N 3.32Å; D376-E378 VanDerWaalsContact OD1-N 3.11Å; D376-V379 HydrophobicContact CB-CG2 4.22Å; D376-V379 WeakPolarHBondContact O-CG2 3.23Å; D376-V379 PolarHBondContact O-N 3.35Å; D376-R391 IonicContact OD1-CZ 2.75Å; D376-R391 IonicContact OD1-NH2 3.57Å; D376-R391 PolarHBondContact OD1-NH2 2.71Å
377	P	78.4	Confident	77.5	Confident	1 Å²	1	49 Å²	49	1%	0.006	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.3	179.5	28	-37.1	0	0	0	114	L328 V379 L380 L389 T438	L328-P377 HydrophobicContact CD2-CB 4.29Å; P377-V379 PolarHBondContact O-N 2.86Å; P377-L380 WeakPolarHBondContact O-CB 3.25Å; P377-L380 WeakPolarHBondContact O-CG 3.29Å; P377-L380 PolarHBondContact O-N 3.46Å; P377-L389 HydrophobicContact CB-CD2 3.93Å; P377-L389 HydrophobicContact CG-CD2 3.87Å; P377-T438 HydrophobicContact CB-CG2 3.69Å; P377-T438 HydrophobicContact CG-CG2 3.73Å
378	E	75.6	Confident	77	Confident	22 Å²	22	44.5 Å²	44.5	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-27.7	176.5	-67.7	-82.2	147	0	0	112.5	D376 L380 L381 L389 R391	D376-E378 PolarHBondContact O-N 2.77Å; D376-E378 PolarHBondContact OD1-N 3.32Å; D376-E378 VanDerWaalsContact OD1-N 3.11Å; E378-L380 PolarHBondContact O-N 3.28Å; E378-L380 VanDerWaalsContact O-N 3.12Å; E378-L381 VanDerWaalsContact O-CB 3.27Å; E378-L381 WeakPolarHBondContact O-CB 3.43Å; E378-L381 PolarHBondContact O-N 3.42Å; E378-L381 WeakPolarHBondContact OE2-CD1 3.28Å; E378-L389 HydrophobicContact CG-CD2 4.4Å; E378-L389 WeakPolarHBondContact OE1-CD2 3.23Å; E378-R391 VanDerWaalsContact CG-NH2 3.26Å; E378-R391 IonicContact OE1-CZ 2.93Å; E378-R391 IonicContact OE1-NE 2.81Å; E378-R391 PolarHBondContact OE1-NE 3.01Å; E378-R391 IonicContact OE1-NH1 3.14Å; E378-R391 PolarHBondContact OE1-NH1 3.44Å; E378-R391 IonicContact OE1-NH2 3.79Å
379	V	74.1	Confident	76.9	Confident	45 Å²	45	44.1 Å²	44.1	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-23.4	175.6	-175.7	0	0	0	0	110.7	N238 P374 D376 P377	N238-V379 HydrophobicContact CB-CG2 3.92Å; P374-V379 HydrophobicContact CB-CB 4.05Å; P374-V379 HydrophobicContact CB-CG1 4.41Å; P374-V379 HydrophobicContact CB-CG2 4.42Å; P374-V379 HydrophobicContact CG-CB 4.19Å; D376-V379 HydrophobicContact CB-CG2 4.22Å; D376-V379 WeakPolarHBondContact O-CG2 3.23Å; D376-V379 PolarHBondContact O-N 3.35Å; P377-V379 PolarHBondContact O-N 2.86Å
380	L	75.6	Confident	76.7	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-31.9	173.5	-57.5	173.5	0	0	0	112.2	L328 P374 P377 E378 D382 R383 W387 F436	L328-L380 HydrophobicContact CD1-CD1 3.8Å; L328-L380 HydrophobicContact CD2-CD1 3.88Å; P374-L380 HydrophobicContact CG-CD2 3.77Å; P374-L380 HydrophobicContact CG-CG 3.87Å; P377-L380 WeakPolarHBondContact O-CB 3.25Å; P377-L380 WeakPolarHBondContact O-CG 3.29Å; P377-L380 PolarHBondContact O-N 3.46Å; E378-L380 PolarHBondContact O-N 3.28Å; E378-L380 VanDerWaalsContact O-N 3.12Å; L380-D382 PolarHBondContact O-N 2.98Å; L380-R383 VanDerWaalsContact O-CB 3.23Å; L380-R383 WeakPolarHBondContact O-CB 3.37Å; L380-R383 PolarHBondContact O-N 3.23Å; L380-W387 HydrophobicContact CB-CD2 3.81Å; L380-W387 HydrophobicContact CB-CE3 3.79Å; L380-W387 HydrophobicContact CB-CG 4.16Å; L380-W387 HydrophobicContact CB-CZ3 4.29Å; L380-W387 HydrophobicContact CD1-CE3 3.96Å; L380-W387 HydrophobicContact CD1-CH2 4.22Å; L380-W387 HydrophobicContact CD1-CZ3 3.7Å; L380-W387 HydrophobicContact CD2-CH2 4.35Å; L380-W387 HydrophobicContact CD2-CZ2 4.38Å; L380-W387 HydrophobicContact CG-CE3 4.39Å; L380-W387 HydrophobicContact CG-CZ3 4.41Å; L380-W387 WeakPolarHBondContact O-CB 3.47Å; L380-F436 HydrophobicContact CD1-CE2 4.46Å
381	L	70.1	Confident	76.3	Confident	34 Å²	34	43 Å²	43	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-26.5	176.8	-60.3	-179	0	0	0	112.4	E378 R383 W387 L389	E378-L381 VanDerWaalsContact O-CB 3.27Å; E378-L381 WeakPolarHBondContact O-CB 3.43Å; E378-L381 PolarHBondContact O-N 3.42Å; E378-L381 WeakPolarHBondContact OE2-CD1 3.28Å; L381-R383 VanDerWaalsContact C-N 3.28Å; L381-W387 HydrophobicContact CD2-CB 4.08Å; L381-W387 WeakPolarHBondContact CD2-O 3.17Å; L381-L389 HydrophobicContact CD1-CB 4.35Å; L381-L389 HydrophobicContact CD2-CB 3.87Å; L381-L389 HydrophobicContact CG-CB 4.38Å
382	D	64.8	Low	75.6	Confident	51 Å²	51	43 Å²	43	27%	0.273	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.6	175.7	-68.7	-42.6	0	0	0	110.5	Y235 N238 L380	Y235-D382 HydrophobicContact CE1-CB 4.11Å; Y235-D382 WeakPolarHBondContact CE1-O 3.4Å; Y235-D382 PolarHBondContact OH-O 3.14Å; N238-D382 PolarHBondContact ND2-OD2 2.59Å; L380-D382 PolarHBondContact O-N 2.98Å
383	R	66.2	Low	75.2	Confident	81 Å²	81	38.3 Å²	38.3	31%	0.306	20%	0.198	S	C	.	.	S	Bend	trans	-62.8	159.4	-168.6	-68.1	-178	61.8	106.5	1	115.8	Y235 L380 L381 E385	Y235-R383 HydrophobicContact CE1-CB 4.3Å; Y235-R383 HydrophobicContact CE1-CG 4.37Å; Y235-R383 VanDerWaalsContact CZ-CA 3.48Å; Y235-R383 WeakPolarHBondContact OH-CA 3.46Å; Y235-R383 PolarHBondContact OH-O 2.93Å; Y235-R383 VanDerWaalsContact OH-O 3.11Å; L380-R383 VanDerWaalsContact O-CB 3.23Å; L380-R383 WeakPolarHBondContact O-CB 3.37Å; L380-R383 PolarHBondContact O-N 3.23Å; L381-R383 VanDerWaalsContact C-N 3.28Å; R383-E385 CarbonylContact C-O 3.47Å; R383-E385 VanDerWaalsContact CB-OE2 3.24Å; R383-E385 WeakPolarHBondContact CB-OE2 3.42Å; R383-E385 IonicContact CZ-OE1 2.67Å; R383-E385 IonicContact CZ-OE2 3.86Å; R383-E385 IonicContact NE-OE1 3.87Å; R383-E385 IonicContact NE-OE2 3.02Å; R383-E385 PolarHBondContact NE-OE2 2.85Å; R383-E385 IonicContact NH2-OE1 3.17Å; R383-E385 PolarHBondContact NH2-OE1 3.4Å; R383-E385 IonicContact NH2-OE2 2.92Å; R383-E385 PolarHBondContact NH2-OE2 3.48Å; R383-E385 PolarHBondContact O-N 3.49Å
384	K	63.9	Low	74.1	Confident	156 Å²	156	42.2 Å²	42.2	68%	0.678	22%	0.224	S	C	*	.	S	Bend	trans	-71.3	-27.4	-170.9	67	175	-178.2	177.3	0	110.9	Y235	Y235-K384 VanDerWaalsContact OH-CA 3.29Å; Y235-K384 WeakPolarHBondContact OH-CA 3.25Å; Y235-K384 PolarHBondContact OH-N 3.26Å
385	E	78.6	Confident	73.4	Confident	36 Å²	36	45.8 Å²	45.8	17%	0.168	24%	0.24	C	C	.	.	S	Bend	trans	-74.7	161.6	173.3	-44	86.2	-176.6	0	0	109.1	C363 R383 W387	C363-E385 HydrophobicContact CB-CB 3.76Å; C363-E385 HydrophobicContact CB-CG 3.88Å; R383-E385 CarbonylContact C-O 3.47Å; R383-E385 VanDerWaalsContact CB-OE2 3.24Å; R383-E385 WeakPolarHBondContact CB-OE2 3.42Å; R383-E385 IonicContact CZ-OE1 2.67Å; R383-E385 IonicContact CZ-OE2 3.86Å; R383-E385 IonicContact NE-OE1 3.87Å; R383-E385 IonicContact NE-OE2 3.02Å; R383-E385 PolarHBondContact NE-OE2 2.85Å; R383-E385 IonicContact NH2-OE1 3.17Å; R383-E385 PolarHBondContact NH2-OE1 3.4Å; R383-E385 IonicContact NH2-OE2 2.92Å; R383-E385 PolarHBondContact NH2-OE2 3.48Å; R383-E385 PolarHBondContact O-N 3.49Å; E385-W387 PolarHBondContact O-N 2.8Å; E385-W387 PolarHBondContact OE2-NE1 2.81Å; E385-W387 VanDerWaalsContact OE2-NE1 3.17Å
386	Y	76.1	Confident	73.1	Confident	31 Å²	31	44.5 Å²	44.5	12%	0.122	23%	0.228	C	C	.	.			trans	-75	125.7	178.7	-179.2	-103.5	0	0	0	109.6	F76 T361 S362 V388 V427 D428 L433	F76-Y386 HydrophobicContact CE2-CE2 4.46Å; T361-Y386 CarbonylContact C-O 3.58Å; T361-Y386 WeakPolarHBondContact CA-O 3.38Å; T361-Y386 WeakPolarHBondContact CB-O 3.37Å; T361-Y386 PolarHBondContact OG1-O 3.04Å; S362-Y386 PolarHBondContact N-O 3.23Å; S362-Y386 VanDerWaalsContact OG-CB 3.24Å; S362-Y386 WeakPolarHBondContact OG-CB 3.42Å; S362-Y386 PolarHBondContact OG-N 3.36Å; S362-Y386 VanDerWaalsContact OG-N 3.13Å; Y386-V388 HydrophobicContact CE1-CG2 3.68Å; Y386-V388 HydrophobicContact CE2-CG2 4.21Å; Y386-V388 VanDerWaalsContact CZ-CG2 3.48Å; Y386-V388 VanDerWaalsContact OH-CG2 3.28Å; Y386-V388 WeakPolarHBondContact OH-CG2 2.86Å; Y386-V427 HydrophobicContact CE1-CB 4.25Å; Y386-V427 HydrophobicContact CE1-CG1 4.39Å; Y386-V427 VanDerWaalsContact OH-CA 3.29Å; Y386-V427 WeakPolarHBondContact OH-CA 2.92Å; Y386-D428 PolarHBondContact OH-N 3.28Å; Y386-D428 VanDerWaalsContact OH-N 3.16Å; Y386-L433 HydrophobicContact CD1-CD2 3.71Å; Y386-L433 HydrophobicContact CE1-CD2 3.93Å
387	W	81.8	Confident	72.9	Confident	13 Å²	13	46.7 Å²	46.7	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	178.2	-64.5	91.6	0	0	0	110.6	F330 T361 C363 L368 L380 L381 E385 F436	F330-W387 AromaticContact CE1-CH2 3.79Å; F330-W387 HydrophobicContact CE1-CH2 3.79Å; F330-W387 AromaticContact CE1-CZ3 3.81Å; F330-W387 HydrophobicContact CE1-CZ3 3.81Å; F330-W387 HydrophobicContact CZ-CH2 4.35Å; T361-W387 HydrophobicContact CG2-CE3 3.96Å; T361-W387 HydrophobicContact CG2-CH2 3.85Å; T361-W387 HydrophobicContact CG2-CZ2 4.46Å; T361-W387 HydrophobicContact CG2-CZ3 3.58Å; T361-W387 VanDerWaalsContact OG1-CE2 3.22Å; C363-W387 HydrophobicContact CB-CH2 3.99Å; C363-W387 HydrophobicContact CB-CZ2 3.38Å; L368-W387 HydrophobicContact CD1-CH2 3.99Å; L368-W387 HydrophobicContact CD1-CZ2 4.39Å; L380-W387 HydrophobicContact CB-CD2 3.81Å; L380-W387 HydrophobicContact CB-CE3 3.79Å; L380-W387 HydrophobicContact CB-CG 4.16Å; L380-W387 HydrophobicContact CB-CZ3 4.29Å; L380-W387 HydrophobicContact CD1-CE3 3.96Å; L380-W387 HydrophobicContact CD1-CH2 4.22Å; L380-W387 HydrophobicContact CD1-CZ3 3.7Å; L380-W387 HydrophobicContact CD2-CH2 4.35Å; L380-W387 HydrophobicContact CD2-CZ2 4.38Å; L380-W387 HydrophobicContact CG-CE3 4.39Å; L380-W387 HydrophobicContact CG-CZ3 4.41Å; L380-W387 WeakPolarHBondContact O-CB 3.47Å; L381-W387 HydrophobicContact CD2-CB 4.08Å; L381-W387 WeakPolarHBondContact CD2-O 3.17Å; E385-W387 PolarHBondContact O-N 2.8Å; E385-W387 PolarHBondContact OE2-NE1 2.81Å; E385-W387 VanDerWaalsContact OE2-NE1 3.17Å; W387-F436 HydrophobicContact CE3-CD1 4.12Å; W387-F436 AromaticContact CE3-CE1 3.63Å; W387-F436 HydrophobicContact CE3-CE1 3.63Å; W387-F436 AromaticContact CE3-CZ 3.94Å; W387-F436 HydrophobicContact CE3-CZ 3.94Å; W387-F436 AromaticContact CZ3-CD1 3.99Å; W387-F436 HydrophobicContact CZ3-CD1 3.99Å; W387-F436 AromaticContact CZ3-CE1 3.97Å; W387-F436 HydrophobicContact CZ3-CE1 3.97Å; W387-F436 HydrophobicContact CZ3-CG 4.4Å; W387-F436 HydrophobicContact CZ3-CZ 4.37Å
388	V	76.9	Confident	72.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.2	176.6	165.6	0	0	0	0	108.1	S105 G359 L360 Y386 L425 V427 F436	S105-V388 WeakPolarHBondContact OG-CB 3.44Å; S105-V388 WeakPolarHBondContact OG-CG1 3.36Å; S105-V388 WeakPolarHBondContact OG-CG2 3.5Å; G359-V388 CarbonylContact C-O 3.56Å; G359-V388 WeakPolarHBondContact CA-O 3.37Å; L360-V388 PolarHBondContact N-O 2.87Å; L360-V388 PolarHBondContact O-N 2.89Å; Y386-V388 HydrophobicContact CE1-CG2 3.68Å; Y386-V388 HydrophobicContact CE2-CG2 4.21Å; Y386-V388 VanDerWaalsContact CZ-CG2 3.48Å; Y386-V388 VanDerWaalsContact OH-CG2 3.28Å; Y386-V388 WeakPolarHBondContact OH-CG2 2.86Å; V388-L425 HydrophobicContact CG1-CB 4.27Å; V388-L425 HydrophobicContact CG1-CD1 3.66Å; V388-L425 HydrophobicContact CG1-CD2 3.81Å; V388-L425 HydrophobicContact CG1-CG 4.12Å; V388-V427 HydrophobicContact CB-CG1 4.25Å; V388-V427 HydrophobicContact CG1-CG1 4.15Å; V388-V427 HydrophobicContact CG2-CG1 4.28Å; V388-F436 WeakPolarHBondContact O-CE1 3.32Å; V388-F436 WeakPolarHBondContact O-CZ 3.24Å
389	L	84.8	Confident	73.3	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.1	-178.4	-177.2	62.7	0	0	0	109.2	P377 E378 L381 R391 F436	P377-L389 HydrophobicContact CB-CD2 3.93Å; P377-L389 HydrophobicContact CG-CD2 3.87Å; E378-L389 HydrophobicContact CG-CD2 4.4Å; E378-L389 WeakPolarHBondContact OE1-CD2 3.23Å; L381-L389 HydrophobicContact CD1-CB 4.35Å; L381-L389 HydrophobicContact CD2-CB 3.87Å; L381-L389 HydrophobicContact CG-CB 4.38Å; L389-R391 HydrophobicContact CD2-CG 4.43Å; L389-R391 HydrophobicContact CG-CG 4.39Å; L389-F436 HydrophobicContact CB-CZ 4.42Å; L389-F436 HydrophobicContact CD1-CE2 3.77Å; L389-F436 HydrophobicContact CD1-CZ 4.04Å
390	H	80.3	Confident	73.9	Confident	45 Å²	45	49.9 Å²	49.9	21%	0.208	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.8	167.6	179.8	94.4	0	0	0	110	F358 F393 L424 L425	F358-H390 PolarHBondContact N-O 2.92Å; F358-H390 PolarHBondContact O-N 2.99Å; H390-F393 AromaticContact CD2-CE2 3.79Å; H390-L424 HydrophobicContact CB-CD2 4.35Å; H390-L424 HydrophobicContact CB-CG 4.12Å; H390-L424 WeakPolarHBondContact CD2-CD1 3.43Å; H390-L424 PolarHBondContact ND1-O 3.4Å; H390-L424 VanDerWaalsContact ND1-O 3.08Å; H390-L424 VanDerWaalsContact NE2-CD1 3.3Å; H390-L424 WeakPolarHBondContact NE2-CD1 3.25Å; H390-L425 HydrophobicContact CB-CB 4.41Å; H390-L425 HydrophobicContact CB-CD2 3.64Å
391	R	75.5	Confident	74.7	Confident	106 Å²	106	50.2 Å²	50.2	40%	0.4	28%	0.277	S	S	.	.			trans	-118.8	158.8	174.1	-67.2	-177.6	165.8	156.9	-10.3	110	D376 E378 L389	D376-R391 IonicContact OD1-CZ 2.75Å; D376-R391 IonicContact OD1-NH2 3.57Å; D376-R391 PolarHBondContact OD1-NH2 2.71Å; E378-R391 VanDerWaalsContact CG-NH2 3.26Å; E378-R391 IonicContact OE1-CZ 2.93Å; E378-R391 IonicContact OE1-NE 2.81Å; E378-R391 PolarHBondContact OE1-NE 3.01Å; E378-R391 IonicContact OE1-NH1 3.14Å; E378-R391 PolarHBondContact OE1-NH1 3.44Å; E378-R391 IonicContact OE1-NH2 3.79Å; L389-R391 HydrophobicContact CD2-CG 4.43Å; L389-R391 HydrophobicContact CG-CG 4.39Å
392	G	62.2	Low	75.7	Confident	57 Å²	57	48.9 Å²	48.9	59%	0.588	27%	0.269	S	S	*	.			trans	98	31.2	172.4	0	0	0	0	0	114.2
393	F	69.8	Low	77.1	Confident	12 Å²	12	47.1 Å²	47.1	5%	0.053	26%	0.261	C	S	.	.			trans	-57.2	132.6	164.7	-69	-88.5	0	0	0	109.5	M356 F358 H390 M395 F404 L424	M356-F393 HydrophobicContact CG-CD2 4.16Å; M356-F393 HydrophobicContact CG-CG 4.39Å; M356-F393 VanDerWaalsContact O-CD2 3.22Å; M356-F393 WeakPolarHBondContact O-CD2 3.39Å; F358-F393 HydrophobicContact CB-CE2 3.8Å; F358-F393 HydrophobicContact CB-CZ 3.66Å; H390-F393 AromaticContact CD2-CE2 3.79Å; F393-M395 PolarHBondContact O-N 2.82Å; F393-F404 AromaticContact CE1-CE1 3.69Å; F393-F404 HydrophobicContact CE1-CE1 3.69Å; F393-F404 AromaticContact CE1-CZ 3.91Å; F393-F404 HydrophobicContact CE1-CZ 3.91Å; F393-F404 AromaticContact CZ-CE1 3.61Å; F393-F404 HydrophobicContact CZ-CE1 3.61Å; F393-F404 AromaticContact CZ-CZ 3.89Å; F393-F404 HydrophobicContact CZ-CZ 3.89Å; F393-L424 HydrophobicContact CE1-CD1 3.8Å; F393-L424 HydrophobicContact CE1-CD2 4.26Å; F393-L424 HydrophobicContact CZ-CD1 3.86Å; F393-L424 HydrophobicContact CZ-CD2 3.82Å; F393-L424 HydrophobicContact CZ-CG 4.45Å
394	P	62.5	Low	78.4	Confident	88 Å²	88	43.4 Å²	43.4	57%	0.571	25%	0.247	S	C	*	.			trans	-56.4	139.9	166.9	24.9	-31.3	0	0	0	108.2	P396	P394-P396 WeakPolarHBondContact O-CD 3.3Å
395	M	66.5	Low	79.8	Confident	102 Å²	102	37.4 Å²	37.4	50%	0.502	23%	0.225	S	C	.	.			trans	-46.6	108.2	-174.6	-75.5	-91.7	-67.2	0	0	110.7	F393	F393-M395 PolarHBondContact O-N 2.82Å
396	P	70.8	Confident	80.3	Confident	11 Å²	11	36 Å²	36	7%	0.071	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-71.9	138.3	-179.6	27.8	-31.7	0	0	0	109.3	V345 P394 D400 V443	V345-P396 HydrophobicContact CB-CB 4.27Å; V345-P396 HydrophobicContact CB-CG 4.44Å; V345-P396 HydrophobicContact CG1-CB 4.15Å; V345-P396 HydrophobicContact CG1-CG 3.81Å; V345-P396 HydrophobicContact CG2-CB 4.32Å; V345-P396 HydrophobicContact CG2-CG 4.48Å; P394-P396 WeakPolarHBondContact O-CD 3.3Å; P396-D400 HydrophobicContact CB-CB 4.32Å; P396-V443 HydrophobicContact CG-CG2 3.8Å
397	C	75.8	Confident	80.9	Confident	83 Å²	83	37 Å²	37	56%	0.561	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-71.9	154	170.2	-70.3	0	0	0	0	110	G399 D400	C397-G399 PolarHBondContact O-N 3.45Å; C397-D400 PolarHBondContact N-OD2 2.93Å; C397-D400 VanDerWaalsContact O-CB 3.31Å; C397-D400 WeakPolarHBondContact O-CB 3.27Å; C397-D400 PolarHBondContact O-N 2.91Å
398	S	80.2	Confident	80.8	Confident	79 Å²	79	41 Å²	41	55%	0.552	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	128.3	170.6	-157.6	0	0	0	0	110	H347	H347-S398 PolarHBondContact N-OG 3.5Å
399	G	82.7	Confident	80.9	Confident	30 Å²	30	44.9 Å²	44.9	31%	0.309	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	0.8	-177	0	0	0	0	0	114.3	V345 C397 V401	V345-G399 PolarHBondContact O-N 2.93Å; C397-G399 PolarHBondContact O-N 3.45Å; G399-V401 PolarHBondContact O-N 3.08Å
400	D	87.8	Confident	80.5	Confident	26 Å²	26	44.8 Å²	44.8	14%	0.139	28%	0.281	C	S	.	.			trans	-64.5	136	172.3	-81.8	-10	0	0	0	110.5	E344 V345 P396 C397 V416 N417	E344-D400 WeakPolarHBondContact CA-O 3.37Å; V345-D400 PolarHBondContact N-O 3.31Å; P396-D400 HydrophobicContact CB-CB 4.32Å; C397-D400 PolarHBondContact N-OD2 2.93Å; C397-D400 VanDerWaalsContact O-CB 3.31Å; C397-D400 WeakPolarHBondContact O-CB 3.27Å; C397-D400 PolarHBondContact O-N 2.91Å; D400-V416 HydrophobicContact CB-CG1 4.4Å; D400-N417 WeakPolarHBondContact CA-OD1 3.37Å; D400-N417 PolarHBondContact OD1-ND2 2.95Å
401	V	91.6	Very high	80.6	Confident	10 Å²	10	44.9 Å²	44.9	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.7	175.3	-178.8	0	0	0	0	109.2	V287 L290 Y342 V343 G399 V416 N417 L449	V287-V401 HydrophobicContact CG1-CG2 3.78Å; L290-V401 HydrophobicContact CD1-CG1 4.26Å; Y342-V401 HydrophobicContact CD1-CG1 4.14Å; V343-V401 CarbonylContact O-C 3.59Å; V343-V401 WeakPolarHBondContact O-CA 3.26Å; G399-V401 PolarHBondContact O-N 3.08Å; V401-V416 CarbonylContact O-C 3.51Å; V401-V416 WeakPolarHBondContact O-CA 3.43Å; V401-N417 PolarHBondContact N-OD1 3.14Å; V401-N417 PolarHBondContact O-N 2.93Å; V401-L449 HydrophobicContact CB-CD1 4.34Å; V401-L449 HydrophobicContact CG1-CD1 3.61Å; V401-L449 HydrophobicContact CG2-CD1 3.76Å
402	L	91.7	Very high	81.1	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.7	171.9	-54.1	-179.8	0	0	0	109.7	Y342 V343 V345 M356 F404 G415 V416	Y342-L402 WeakPolarHBondContact CA-O 3.07Å; V343-L402 HydrophobicContact CG2-CB 3.87Å; V343-L402 PolarHBondContact N-O 3.46Å; V343-L402 PolarHBondContact O-N 3.16Å; V345-L402 HydrophobicContact CG2-CD1 3.7Å; V345-L402 HydrophobicContact CG2-CG 3.92Å; M356-L402 HydrophobicContact CE-CD1 3.88Å; M356-L402 HydrophobicContact SD-CD1 3.33Å; M356-L402 WeakPolarHBondContact SD-CD1 3.3Å; L402-F404 HydrophobicContact CB-CE2 3.81Å; L402-F404 HydrophobicContact CB-CZ 4.02Å; L402-F404 HydrophobicContact CD1-CE2 4.46Å; L402-F404 HydrophobicContact CD1-CZ 4.11Å; L402-G415 WeakPolarHBondContact CA-O 3.44Å; L402-V416 HydrophobicContact CD2-CB 4.29Å; L402-V416 HydrophobicContact CD2-CG1 4.1Å; L402-V416 HydrophobicContact CD2-CG2 3.69Å
403	S	93.1	Very high	82.4	Confident	15 Å²	15	39.8 Å²	39.8	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.6	172.9	62.3	0	0	0	0	110	L341 H414 G415	L341-S403 CarbonylContact O-C 3.49Å; L341-S403 VanDerWaalsContact O-CA 3.28Å; L341-S403 WeakPolarHBondContact O-CA 3.47Å; S403-H414 CarbonylContact O-C 3.31Å; S403-H414 WeakPolarHBondContact O-CA 3.42Å; S403-G415 PolarHBondContact N-O 3.43Å; S403-G415 PolarHBondContact O-N 3.1Å; S403-G415 VanDerWaalsContact OG-CA 3.3Å; S403-G415 WeakPolarHBondContact OG-CA 3.3Å; S403-G415 PolarHBondContact OG-N 3.09Å
404	F	94.3	Very high	83.4	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.6	177.1	-59.6	-80.4	0	0	0	109.8	T340 L341 V343 F358 F393 L402 H413 H414 L424 F437	T340-F404 CarbonylContact C-O 3.45Å; T340-F404 VanDerWaalsContact CA-O 3.29Å; T340-F404 WeakPolarHBondContact CA-O 3.48Å; L341-F404 HydrophobicContact CB-CB 4.42Å; L341-F404 PolarHBondContact N-O 2.94Å; L341-F404 PolarHBondContact O-N 3.41Å; V343-F404 HydrophobicContact CG2-CD2 4.3Å; V343-F404 HydrophobicContact CG2-CE2 3.66Å; F358-F404 HydrophobicContact CB-CE1 3.99Å; F358-F404 HydrophobicContact CB-CZ 4.11Å; F358-F404 AromaticContact CD1-CD1 3.72Å; F358-F404 HydrophobicContact CD1-CD1 3.72Å; F358-F404 AromaticContact CD1-CE1 3.79Å; F358-F404 HydrophobicContact CD1-CE1 3.79Å; F358-F404 HydrophobicContact CD1-CG 4.46Å; F358-F404 HydrophobicContact CD2-CD1 4.17Å; F358-F404 HydrophobicContact CD2-CD2 4.33Å; F358-F404 HydrophobicContact CD2-CE1 4.13Å; F358-F404 HydrophobicContact CD2-CE2 4.27Å; F358-F404 HydrophobicContact CD2-CG 4.27Å; F358-F404 HydrophobicContact CD2-CZ 4.17Å; F358-F404 HydrophobicContact CE1-CB 4.44Å; F358-F404 AromaticContact CE1-CD1 3.75Å; F358-F404 HydrophobicContact CE1-CD1 3.75Å; F358-F404 HydrophobicContact CE1-CE1 4.3Å; F358-F404 HydrophobicContact CE1-CG 4.21Å; F358-F404 HydrophobicContact CE2-CB 4.33Å; F358-F404 HydrophobicContact CE2-CD1 4.16Å; F358-F404 HydrophobicContact CE2-CD2 4.2Å; F358-F404 AromaticContact CE2-CG 3.96Å; F358-F404 HydrophobicContact CE2-CG 3.96Å; F358-F404 AromaticContact CG-CD1 3.92Å; F358-F404 HydrophobicContact CG-CD1 3.92Å; F358-F404 AromaticContact CG-CE1 3.67Å; F358-F404 HydrophobicContact CG-CE1 3.67Å; F358-F404 HydrophobicContact CG-CG 4.47Å; F358-F404 HydrophobicContact CG-CZ 4.01Å; F358-F404 HydrophobicContact CZ-CB 3.98Å; F358-F404 AromaticContact CZ-CD1 3.95Å; F358-F404 HydrophobicContact CZ-CD1 3.95Å; F358-F404 AromaticContact CZ-CG 3.92Å; F358-F404 HydrophobicContact CZ-CG 3.92Å; F393-F404 AromaticContact CE1-CE1 3.69Å; F393-F404 HydrophobicContact CE1-CE1 3.69Å; F393-F404 AromaticContact CE1-CZ 3.91Å; F393-F404 HydrophobicContact CE1-CZ 3.91Å; F393-F404 AromaticContact CZ-CE1 3.61Å; F393-F404 HydrophobicContact CZ-CE1 3.61Å; F393-F404 AromaticContact CZ-CZ 3.89Å; F393-F404 HydrophobicContact CZ-CZ 3.89Å; L402-F404 HydrophobicContact CB-CE2 3.81Å; L402-F404 HydrophobicContact CB-CZ 4.02Å; L402-F404 HydrophobicContact CD1-CE2 4.46Å; L402-F404 HydrophobicContact CD1-CZ 4.11Å; F404-H413 CarbonylContact C-O 3.54Å; F404-H413 WeakPolarHBondContact CA-O 3.24Å; F404-H414 HydrophobicContact CD1-CB 4.18Å; F404-H414 HydrophobicContact CE1-CB 4.24Å; F404-L424 HydrophobicContact CD1-CD2 3.83Å; F404-L424 HydrophobicContact CE1-CD2 3.7Å; F404-F437 HydrophobicContact CD2-CE1 4.34Å; F404-F437 HydrophobicContact CD2-CZ 4.46Å; F404-F437 AromaticContact CE2-CE1 3.75Å; F404-F437 HydrophobicContact CE2-CE1 3.75Å; F404-F437 HydrophobicContact CE2-CZ 4.28Å; F404-F437 HydrophobicContact CZ-CE1 4.25Å
405	S	92.9	Very high	84.6	Confident	30 Å²	30	36.4 Å²	36.4	21%	0.21	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.5	-177.7	-56.1	0	0	0	0	110.4	T340 L407 V412 H413	T340-S405 WeakPolarHBondContact CG2-OG 3.39Å; T340-S405 WeakPolarHBondContact OG1-CB 3.37Å; T340-S405 PolarHBondContact OG1-OG 3.5Å; S405-L407 WeakPolarHBondContact O-CD1 3.44Å; S405-V412 CarbonylContact O-C 3.49Å; S405-V412 VanDerWaalsContact O-CA 3.32Å; S405-V412 WeakPolarHBondContact O-CA 3.24Å; S405-H413 PolarHBondContact N-O 2.85Å; S405-H413 PolarHBondContact O-N 2.86Å
406	L	90.1	Very high	85.7	Confident	6 Å²	6	32.5 Å²	32.5	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.9	174.3	176.1	60	0	0	0	109.8	V337 G338 E339 V412 V427	V337-L406 HydrophobicContact CG2-CD2 4.3Å; G338-L406 WeakPolarHBondContact CA-O 3.41Å; G338-L406 PolarHBondContact N-O 3.05Å; E339-L406 PolarHBondContact O-N 2.87Å; L406-V412 HydrophobicContact CD1-CG2 3.75Å; L406-V427 HydrophobicContact CD1-CG2 3.45Å; L406-V427 VanDerWaalsContact CD1-CG2 3.45Å
407	L	87.6	Confident	86.5	Confident	53 Å²	53	35 Å²	35	28%	0.277	22%	0.218	S	C	.	.			trans	-86	155.8	-178.8	-75	78.4	0	0	0	112	S405 S409 G410 E411 H413	S405-L407 WeakPolarHBondContact O-CD1 3.44Å; L407-S409 PolarHBondContact O-N 3Å; L407-S409 VanDerWaalsContact O-N 3.14Å; L407-G410 PolarHBondContact O-N 3.47Å; L407-E411 WeakPolarHBondContact CB-O 3.33Å; L407-E411 WeakPolarHBondContact CD1-O 3.2Å; L407-E411 PolarHBondContact N-O 2.88Å; L407-H413 HydrophobicContact CD1-CB 3.99Å
408	P	80.9	Confident	86.7	Confident	96 Å²	96	33.6 Å²	33.6	62%	0.623	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.9	173.2	-23.5	31.8	0	0	0	115	V337 G410 S429	V337-P408 HydrophobicContact CG1-CB 3.82Å; V337-P408 HydrophobicContact CG1-CG 3.72Å; P408-G410 PolarHBondContact O-N 2.85Å; P408-S429 PolarHBondContact O-OG 2.82Å
409	S	78.6	Confident	86.9	Confident	82 Å²	82	34.1 Å²	34.1	57%	0.573	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.6	174.8	54.9	0	0	0	0	114	L407 E411	L407-S409 PolarHBondContact O-N 3Å; L407-S409 VanDerWaalsContact O-N 3.14Å; S409-E411 PolarHBondContact OG-N 2.86Å
410	G	75.7	Confident	86.9	Confident	2 Å²	2	35.9 Å²	35.9	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	80.7	1.8	-170.3	0	0	0	0	0	113.1	L407 P408 C426 V427	L407-G410 PolarHBondContact O-N 3.47Å; P408-G410 PolarHBondContact O-N 2.85Å; G410-C426 CarbonylContact O-C 3.39Å; G410-C426 WeakPolarHBondContact O-CA 3.46Å; G410-V427 WeakPolarHBondContact CA-O 3.49Å; G410-V427 PolarHBondContact O-N 2.81Å
411	E	82.4	Confident	86.5	Confident	48 Å²	48	42.1 Å²	42.1	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	137.4	171	-59.7	-166.8	146.8	0	0	110.3	L407 S409 H413 R423	L407-E411 WeakPolarHBondContact CB-O 3.33Å; L407-E411 WeakPolarHBondContact CD1-O 3.2Å; L407-E411 PolarHBondContact N-O 2.88Å; S409-E411 PolarHBondContact OG-N 2.86Å; E411-H413 IonicContact OE2-CD2 3.96Å; E411-H413 IonicContact OE2-CE1 2.67Å; E411-H413 IonicContact OE2-NE2 3.61Å; E411-H413 PolarHBondContact OE2-NE2 2.98Å; E411-R423 HydrophobicContact CB-CG 4.36Å; E411-R423 WeakPolarHBondContact OE1-CD 3.48Å; E411-R423 IonicContact OE1-CZ 3.63Å; E411-R423 IonicContact OE1-NH1 2.63Å; E411-R423 PolarHBondContact OE1-NH1 2.81Å
412	V	86.9	Confident	85.8	Confident	1 Å²	1	43 Å²	43	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.2	169.6	-178.8	0	0	0	0	108.2	F358 L360 S405 L406 L424 L425 V427	F358-V412 HydrophobicContact CE1-CG1 4.01Å; L360-V412 HydrophobicContact CD1-CG2 3.57Å; S405-V412 CarbonylContact O-C 3.49Å; S405-V412 VanDerWaalsContact O-CA 3.32Å; S405-V412 WeakPolarHBondContact O-CA 3.24Å; L406-V412 HydrophobicContact CD1-CG2 3.75Å; V412-L424 WeakPolarHBondContact O-CB 3.49Å; V412-L424 PolarHBondContact O-N 3.21Å; V412-L425 HydrophobicContact CB-CD1 3.7Å; V412-L425 HydrophobicContact CB-CG 4.03Å; V412-L425 HydrophobicContact CG1-CD1 4.49Å; V412-L425 HydrophobicContact CG2-CD1 3.51Å; V412-L425 HydrophobicContact CG2-CG 4.37Å; V412-L425 PolarHBondContact N-O 2.65Å; V412-L425 PolarHBondContact O-N 3.13Å; V412-V427 HydrophobicContact CG2-CG1 4.36Å; V412-V427 HydrophobicContact CG2-CG2 4.03Å
413	H	87.9	Confident	85.4	Confident	54 Å²	54	47.4 Å²	47.4	25%	0.25	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.1	178.1	-73.1	-150	0	0	0	109.4	F404 S405 L407 E411 G422	F404-H413 CarbonylContact C-O 3.54Å; F404-H413 WeakPolarHBondContact CA-O 3.24Å; S405-H413 PolarHBondContact N-O 2.85Å; S405-H413 PolarHBondContact O-N 2.86Å; L407-H413 HydrophobicContact CD1-CB 3.99Å; E411-H413 IonicContact OE2-CD2 3.96Å; E411-H413 IonicContact OE2-CE1 2.67Å; E411-H413 IonicContact OE2-NE2 3.61Å; E411-H413 PolarHBondContact OE2-NE2 2.98Å; H413-G422 CarbonylContact C-O 3.57Å; H413-G422 WeakPolarHBondContact CA-O 3.31Å
414	H	91.5	Very high	84.7	Confident	29 Å²	29	46.9 Å²	46.9	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.4	174.3	78.1	-61.4	0	0	0	111.9	S403 F404 R421 G422 L424	S403-H414 CarbonylContact O-C 3.31Å; S403-H414 WeakPolarHBondContact O-CA 3.42Å; F404-H414 HydrophobicContact CD1-CB 4.18Å; F404-H414 HydrophobicContact CE1-CB 4.24Å; H414-R421 WeakPolarHBondContact CE1-CB 3.39Å; H414-R421 WeakPolarHBondContact NE2-CB 3.48Å; H414-R421 WeakPolarHBondContact O-CA 3.27Å; H414-R421 PolarHBondContact O-N 3.4Å; H414-G422 PolarHBondContact N-O 3Å; H414-G422 PolarHBondContact ND1-O 3.14Å; H414-G422 PolarHBondContact O-N 3.21Å; H414-L424 HydrophobicContact CB-CB 4.08Å; H414-L424 HydrophobicContact CB-CD1 4.14Å; H414-L424 HydrophobicContact CB-CD2 4.24Å; H414-L424 HydrophobicContact CB-CG 4.4Å
415	G	87.5	Confident	84.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.7	173.2	0	0	0	0	0	111	L402 S403 V419	L402-G415 WeakPolarHBondContact CA-O 3.44Å; S403-G415 PolarHBondContact N-O 3.43Å; S403-G415 PolarHBondContact O-N 3.1Å; S403-G415 VanDerWaalsContact OG-CA 3.3Å; S403-G415 WeakPolarHBondContact OG-CA 3.3Å; S403-G415 PolarHBondContact OG-N 3.09Å; G415-V419 CarbonylContact C-O 3.55Å; G415-V419 WeakPolarHBondContact CA-O 3.45Å
416	V	89	Confident	83.3	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.115	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.8	176.9	-172.8	0	0	0	0	107.8	D400 V401 L402 G418 V419 R421	D400-V416 HydrophobicContact CB-CG1 4.4Å; V401-V416 CarbonylContact O-C 3.51Å; V401-V416 WeakPolarHBondContact O-CA 3.43Å; L402-V416 HydrophobicContact CD2-CB 4.29Å; L402-V416 HydrophobicContact CD2-CG1 4.1Å; L402-V416 HydrophobicContact CD2-CG2 3.69Å; V416-G418 PolarHBondContact O-N 2.83Å; V416-V419 PolarHBondContact N-O 2.76Å; V416-V419 WeakPolarHBondContact O-CB 3.46Å; V416-V419 PolarHBondContact O-N 2.77Å; V416-R421 HydrophobicContact CG2-CG 3.99Å
417	N	87.4	Confident	82.8	Confident	64 Å²	64	45.5 Å²	45.5	34%	0.342	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.6	178.9	-59.9	-31.4	0	0	0	113	D400 V401 V419	D400-N417 WeakPolarHBondContact CA-OD1 3.37Å; D400-N417 PolarHBondContact OD1-ND2 2.95Å; V401-N417 PolarHBondContact N-OD1 3.14Å; V401-N417 PolarHBondContact O-N 2.93Å; N417-V419 VanDerWaalsContact C-N 3.25Å; N417-V419 PolarHBondContact O-N 2.94Å
418	G	81.2	Confident	82.3	Confident	53 Å²	53	43.8 Å²	43.8	55%	0.546	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-5.2	-178.4	0	0	0	0	0	115.2	V416	V416-G418 PolarHBondContact O-N 2.83Å
419	V	84.3	Confident	82.1	Confident	90 Å²	90	41.4 Å²	41.4	55%	0.545	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.4	175.7	-176.4	0	0	0	0	109.6	G415 V416 N417 R421	G415-V419 CarbonylContact C-O 3.55Å; G415-V419 WeakPolarHBondContact CA-O 3.45Å; V416-V419 PolarHBondContact N-O 2.76Å; V416-V419 WeakPolarHBondContact O-CB 3.46Å; V416-V419 PolarHBondContact O-N 2.77Å; N417-V419 VanDerWaalsContact C-N 3.25Å; N417-V419 PolarHBondContact O-N 2.94Å; V419-R421 PolarHBondContact O-N 2.77Å
420	G	81.9	Confident	82	Confident	67 Å²	67	41.9 Å²	41.9	69%	0.691	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	123.2	173.2	0	0	0	0	0	111.3
421	R	79.9	Confident	82.3	Confident	157 Å²	157	46.1 Å²	46.1	59%	0.592	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	-3.7	174.1	-67.4	-66.4	-172.5	172.4	0.6	112.4	H414 V416 V419	H414-R421 WeakPolarHBondContact CE1-CB 3.39Å; H414-R421 WeakPolarHBondContact NE2-CB 3.48Å; H414-R421 WeakPolarHBondContact O-CA 3.27Å; H414-R421 PolarHBondContact O-N 3.4Å; V416-R421 HydrophobicContact CG2-CG 3.99Å; V419-R421 PolarHBondContact O-N 2.77Å
422	G	78.1	Confident	82.6	Confident	29 Å²	29	47.8 Å²	47.8	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87	-162.5	177.6	0	0	0	0	0	112.8	H413 H414 L424	H413-G422 CarbonylContact C-O 3.57Å; H413-G422 WeakPolarHBondContact CA-O 3.31Å; H414-G422 PolarHBondContact N-O 3Å; H414-G422 PolarHBondContact ND1-O 3.14Å; H414-G422 PolarHBondContact O-N 3.21Å; G422-L424 PolarHBondContact O-N 3.37Å
423	R	81.3	Confident	82.8	Confident	98 Å²	98	47.9 Å²	47.9	37%	0.37	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	125.4	-174.7	-175.9	178.9	64.2	-137.5	-7.3	112	H101 E411	H101-R423 PolarHBondContact CE1-NH2 2.79Å; E411-R423 HydrophobicContact CB-CG 4.36Å; E411-R423 WeakPolarHBondContact OE1-CD 3.48Å; E411-R423 IonicContact OE1-CZ 3.63Å; E411-R423 IonicContact OE1-NH1 2.63Å; E411-R423 PolarHBondContact OE1-NH1 2.81Å
424	L	79.4	Confident	83.2	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-52	178.1	-174.2	75.6	0	0	0	111.8	F358 H390 F393 F404 V412 H414 G422	F358-L424 HydrophobicContact CD1-CD2 3.51Å; F358-L424 HydrophobicContact CE1-CD2 4.09Å; F358-L424 HydrophobicContact CG-CD2 4.42Å; H390-L424 HydrophobicContact CB-CD2 4.35Å; H390-L424 HydrophobicContact CB-CG 4.12Å; H390-L424 WeakPolarHBondContact CD2-CD1 3.43Å; H390-L424 PolarHBondContact ND1-O 3.4Å; H390-L424 VanDerWaalsContact ND1-O 3.08Å; H390-L424 VanDerWaalsContact NE2-CD1 3.3Å; H390-L424 WeakPolarHBondContact NE2-CD1 3.25Å; F393-L424 HydrophobicContact CE1-CD1 3.8Å; F393-L424 HydrophobicContact CE1-CD2 4.26Å; F393-L424 HydrophobicContact CZ-CD1 3.86Å; F393-L424 HydrophobicContact CZ-CD2 3.82Å; F393-L424 HydrophobicContact CZ-CG 4.45Å; F404-L424 HydrophobicContact CD1-CD2 3.83Å; F404-L424 HydrophobicContact CE1-CD2 3.7Å; V412-L424 WeakPolarHBondContact O-CB 3.49Å; V412-L424 PolarHBondContact O-N 3.21Å; H414-L424 HydrophobicContact CB-CB 4.08Å; H414-L424 HydrophobicContact CB-CD1 4.14Å; H414-L424 HydrophobicContact CB-CD2 4.24Å; H414-L424 HydrophobicContact CB-CG 4.4Å; G422-L424 PolarHBondContact O-N 3.37Å
425	L	82.3	Confident	83.4	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	177.1	-179.2	61.5	80.8	0	0	0	108.3	G103 F358 L360 V388 H390 V412 V427	G103-L425 CarbonylContact O-C 3.54Å; F358-L425 HydrophobicContact CD1-CD2 4.03Å; F358-L425 HydrophobicContact CE1-CD2 4.2Å; L360-L425 HydrophobicContact CD1-CD1 4.37Å; V388-L425 HydrophobicContact CG1-CB 4.27Å; V388-L425 HydrophobicContact CG1-CD1 3.66Å; V388-L425 HydrophobicContact CG1-CD2 3.81Å; V388-L425 HydrophobicContact CG1-CG 4.12Å; H390-L425 HydrophobicContact CB-CB 4.41Å; H390-L425 HydrophobicContact CB-CD2 3.64Å; V412-L425 HydrophobicContact CB-CD1 3.7Å; V412-L425 HydrophobicContact CB-CG 4.03Å; V412-L425 HydrophobicContact CG1-CD1 4.49Å; V412-L425 HydrophobicContact CG2-CD1 3.51Å; V412-L425 HydrophobicContact CG2-CG 4.37Å; V412-L425 PolarHBondContact N-O 2.65Å; V412-L425 PolarHBondContact O-N 3.13Å; L425-V427 HydrophobicContact CD1-CG1 3.5Å; L425-V427 VanDerWaalsContact CD1-CG1 3.5Å
426	C	75.3	Confident	83.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.9	171	-62.8	0	0	0	0	110.8	G103 W104 G410	G103-C426 PolarHBondContact O-N 3.38Å; G103-C426 PolarHBondContact O-SG 2.75Å; W104-C426 HydrophobicContact CD2-CB 3.97Å; W104-C426 HydrophobicContact CE3-CB 3.1Å; W104-C426 HydrophobicContact CH2-CB 3.62Å; W104-C426 VanDerWaalsContact CH2-SG 3.54Å; W104-C426 HydrophobicContact CZ2-CB 4.41Å; W104-C426 HydrophobicContact CZ3-CB 2.91Å; W104-C426 WeakPolarHBondContact CZ3-SG 3.31Å; G410-C426 CarbonylContact O-C 3.39Å; G410-C426 WeakPolarHBondContact O-CA 3.46Å
427	V	80.1	Confident	84	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.03	27%	0.266	C	S	.	.			trans	-133.8	164	-176	-63.9	0	0	0	0	112	L360 Y386 V388 L406 G410 V412 L425 S429 L433	L360-V427 HydrophobicContact CB-CG1 3.98Å; L360-V427 HydrophobicContact CD1-CB 4.44Å; L360-V427 HydrophobicContact CD1-CG1 3.6Å; L360-V427 HydrophobicContact CD1-CG2 4.12Å; L360-V427 HydrophobicContact CG-CG1 4.42Å; Y386-V427 HydrophobicContact CE1-CB 4.25Å; Y386-V427 HydrophobicContact CE1-CG1 4.39Å; Y386-V427 VanDerWaalsContact OH-CA 3.29Å; Y386-V427 WeakPolarHBondContact OH-CA 2.92Å; V388-V427 HydrophobicContact CB-CG1 4.25Å; V388-V427 HydrophobicContact CG1-CG1 4.15Å; V388-V427 HydrophobicContact CG2-CG1 4.28Å; L406-V427 HydrophobicContact CD1-CG2 3.45Å; L406-V427 VanDerWaalsContact CD1-CG2 3.45Å; G410-V427 WeakPolarHBondContact CA-O 3.49Å; G410-V427 PolarHBondContact O-N 2.81Å; V412-V427 HydrophobicContact CG2-CG1 4.36Å; V412-V427 HydrophobicContact CG2-CG2 4.03Å; L425-V427 HydrophobicContact CD1-CG1 3.5Å; L425-V427 VanDerWaalsContact CD1-CG1 3.5Å; V427-S429 PolarHBondContact O-N 3.39Å; V427-L433 HydrophobicContact CB-CD1 3.66Å; V427-L433 HydrophobicContact CG1-CD1 4.25Å; V427-L433 HydrophobicContact CG2-CD1 3.45Å; V427-L433 VanDerWaalsContact CG2-CD1 3.45Å
428	D	76.6	Confident	84.1	Confident	18 Å²	18	41.5 Å²	41.5	10%	0.096	25%	0.25	C	C	.	.			trans	-75.8	100.5	167.4	-166.4	-13.7	0	0	0	110.3	F76 K127 Y386 S430 Q431	F76-D428 HydrophobicContact CZ-CB 4.15Å; K127-D428 IonicContact NZ-OD2 3.9Å; K127-D428 PolarHBondContact NZ-OD2 3.49Å; Y386-D428 PolarHBondContact OH-N 3.28Å; Y386-D428 VanDerWaalsContact OH-N 3.16Å; D428-S430 PolarHBondContact O-N 3.2Å; D428-S430 VanDerWaalsContact O-N 3.14Å; D428-S430 WeakPolarHBondContact OD1-CB 3.5Å; D428-S430 PolarHBondContact OD1-N 3Å; D428-S430 VanDerWaalsContact OD1-N 3.13Å; D428-S430 PolarHBondContact OD1-OG 3.05Å; D428-S430 PolarHBondContact OD2-OG 3.02Å; D428-Q431 HydrophobicContact CB-CG 3.93Å; D428-Q431 PolarHBondContact O-N 3.32Å; D428-Q431 VanDerWaalsContact O-N 3.1Å
429	S	77.5	Confident	84.3	Confident	46 Å²	46	39 Å²	39	32%	0.322	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-6.6	179.4	54.2	0	0	0	0	114.1	P408 V427 Q431	P408-S429 PolarHBondContact O-OG 2.82Å; V427-S429 PolarHBondContact O-N 3.39Å; S429-Q431 VanDerWaalsContact C-N 3.29Å
430	S	76.3	Confident	83.8	Confident	92 Å²	92	37.1 Å²	37.1	64%	0.643	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.1	171	70.7	0	0	0	0	113.5	D428	D428-S430 PolarHBondContact O-N 3.2Å; D428-S430 VanDerWaalsContact O-N 3.14Å; D428-S430 WeakPolarHBondContact OD1-CB 3.5Å; D428-S430 PolarHBondContact OD1-N 3Å; D428-S430 VanDerWaalsContact OD1-N 3.13Å; D428-S430 PolarHBondContact OD1-OG 3.05Å; D428-S430 PolarHBondContact OD2-OG 3.02Å
431	Q	81.9	Confident	83.2	Confident	90 Å²	90	35 Å²	35	42%	0.421	19%	0.187	S	C	.	.	S	Bend	trans	-90.6	153.7	179.1	-60	-63.5	-25.4	0	0	111.2	D428 S429 L433	D428-Q431 HydrophobicContact CB-CG 3.93Å; D428-Q431 PolarHBondContact O-N 3.32Å; D428-Q431 VanDerWaalsContact O-N 3.1Å; S429-Q431 VanDerWaalsContact C-N 3.29Å; Q431-L433 HydrophobicContact CB-CD2 3.91Å; Q431-L433 HydrophobicContact CB-CG 4.23Å
432	V	87.8	Confident	82.7	Confident	84 Å²	84	27.5 Å²	27.5	51%	0.509	16%	0.159	S	C	.	.			trans	-80.5	120.8	166.9	-178.5	0	0	0	0	107.6	P334 S362 W434	P334-V432 HydrophobicContact CB-CG1 3.42Å; P334-V432 VanDerWaalsContact CB-CG1 3.42Å; P334-V432 HydrophobicContact CG-CG1 3.56Å; S362-V432 VanDerWaalsContact CA-O 3.3Å; S362-V432 WeakPolarHBondContact CA-O 3.46Å; V432-W434 HydrophobicContact CB-CH2 4.36Å; V432-W434 HydrophobicContact CB-CZ3 4.07Å; V432-W434 HydrophobicContact CG1-CE3 4.34Å; V432-W434 HydrophobicContact CG1-CH2 3.61Å; V432-W434 HydrophobicContact CG1-CZ2 4.34Å; V432-W434 HydrophobicContact CG1-CZ3 3.61Å; V432-W434 WeakPolarHBondContact O-CZ3 3.44Å
433	L	92.1	Very high	82.8	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-120.8	122.6	-168	-63.5	173.9	0	0	0	113	P334 L335 L360 T361 Y386 V427 Q431	P334-L433 CarbonylContact C-O 3.27Å; P334-L433 VanDerWaalsContact CA-O 3.22Å; P334-L433 WeakPolarHBondContact CA-O 3.3Å; P334-L433 WeakPolarHBondContact CB-O 3.24Å; L335-L433 PolarHBondContact N-O 3.09Å; L360-L433 HydrophobicContact CB-CB 4.47Å; L360-L433 HydrophobicContact CD1-CD1 4.42Å; L360-L433 HydrophobicContact CD2-CB 4.28Å; T361-L433 CarbonylContact O-C 3.49Å; T361-L433 VanDerWaalsContact O-CA 3.25Å; T361-L433 WeakPolarHBondContact O-CA 3.18Å; Y386-L433 HydrophobicContact CD1-CD2 3.71Å; Y386-L433 HydrophobicContact CE1-CD2 3.93Å; V427-L433 HydrophobicContact CB-CD1 3.66Å; V427-L433 HydrophobicContact CG1-CD1 4.25Å; V427-L433 HydrophobicContact CG2-CD1 3.45Å; V427-L433 VanDerWaalsContact CG2-CD1 3.45Å; Q431-L433 HydrophobicContact CB-CD2 3.91Å; Q431-L433 HydrophobicContact CB-CG 4.23Å
434	W	96.1	Very high	82.9	Confident	30 Å²	30	22.4 Å²	22.4	11%	0.114	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.1	169.6	-71.5	-104.2	0	0	0	110.6	P334 L360 T361 D364 P365 V432	P334-W434 HydrophobicContact CB-CD2 4.15Å; P334-W434 HydrophobicContact CB-CE3 4.44Å; P334-W434 HydrophobicContact CB-CZ2 4.43Å; P334-W434 HydrophobicContact CG-CZ2 4.28Å; L360-W434 CarbonylContact C-O 3.47Å; L360-W434 VanDerWaalsContact CA-O 3.3Å; L360-W434 WeakPolarHBondContact CA-O 3.44Å; T361-W434 HydrophobicContact CG2-CB 4.12Å; T361-W434 PolarHBondContact N-O 3.42Å; T361-W434 PolarHBondContact O-N 3.38Å; D364-W434 HydrophobicContact CB-CH2 4.07Å; D364-W434 HydrophobicContact CB-CZ2 4.03Å; P365-W434 HydrophobicContact CG-CB 4.17Å; P365-W434 HydrophobicContact CG-CG 3.95Å; V432-W434 HydrophobicContact CB-CH2 4.36Å; V432-W434 HydrophobicContact CB-CZ3 4.07Å; V432-W434 HydrophobicContact CG1-CE3 4.34Å; V432-W434 HydrophobicContact CG1-CH2 3.61Å; V432-W434 HydrophobicContact CG1-CZ2 4.34Å; V432-W434 HydrophobicContact CG1-CZ3 3.61Å; V432-W434 WeakPolarHBondContact O-CZ3 3.44Å
435	A	96.1	Very high	83.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	143.2	172.9	0	0	0	0	0	110.3	F330 S331 L335 L341 F358 L360 F437	F330-A435 CarbonylContact C-O 3.45Å; F330-A435 VanDerWaalsContact CA-O 3.3Å; F330-A435 WeakPolarHBondContact CA-O 3.48Å; S331-A435 PolarHBondContact N-O 3.28Å; S331-A435 PolarHBondContact OG-N 3.26Å; S331-A435 PolarHBondContact OG-O 3.5Å; L335-A435 HydrophobicContact CD1-CB 3.88Å; L335-A435 HydrophobicContact CG-CB 4.23Å; L341-A435 HydrophobicContact CD2-CB 4.08Å; F358-A435 HydrophobicContact CE2-CB 4.05Å; L360-A435 HydrophobicContact CD2-CB 4.12Å; A435-F437 HydrophobicContact CB-CE2 4.33Å
436	F	95.8	Very high	83.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.7	170.9	73.6	-89.7	0	0	0	111.6	L328 V329 F330 G359 L360 T361 L380 W387 V388 L389	L328-F436 HydrophobicContact CD2-CD2 3.8Å; L328-F436 HydrophobicContact CD2-CE2 4.29Å; V329-F436 CarbonylContact O-C 3.55Å; V329-F436 WeakPolarHBondContact O-CA 3.27Å; V329-F436 WeakPolarHBondContact O-CB 3.33Å; F330-F436 HydrophobicContact CD1-CB 3.47Å; F330-F436 VanDerWaalsContact CD1-CB 3.47Å; F330-F436 HydrophobicContact CD1-CG 4.42Å; F330-F436 HydrophobicContact CE1-CB 3.71Å; F330-F436 HydrophobicContact CE1-CG 4.26Å; F330-F436 HydrophobicContact CG-CB 4.24Å; G359-F436 VanDerWaalsContact CA-CE1 3.46Å; G359-F436 PolarHBondContact N-O 2.94Å; G359-F436 WeakPolarHBondContact O-CD1 3.45Å; G359-F436 PolarHBondContact O-N 3.39Å; L360-F436 VanDerWaalsContact N-CE1 3.34Å; T361-F436 HydrophobicContact CG2-CD1 4.13Å; L380-F436 HydrophobicContact CD1-CE2 4.46Å; W387-F436 HydrophobicContact CE3-CD1 4.12Å; W387-F436 AromaticContact CE3-CE1 3.63Å; W387-F436 HydrophobicContact CE3-CE1 3.63Å; W387-F436 AromaticContact CE3-CZ 3.94Å; W387-F436 HydrophobicContact CE3-CZ 3.94Å; W387-F436 AromaticContact CZ3-CD1 3.99Å; W387-F436 HydrophobicContact CZ3-CD1 3.99Å; W387-F436 AromaticContact CZ3-CE1 3.97Å; W387-F436 HydrophobicContact CZ3-CE1 3.97Å; W387-F436 HydrophobicContact CZ3-CG 4.4Å; W387-F436 HydrophobicContact CZ3-CZ 4.37Å; V388-F436 WeakPolarHBondContact O-CE1 3.32Å; V388-F436 WeakPolarHBondContact O-CZ 3.24Å; L389-F436 HydrophobicContact CB-CZ 4.42Å; L389-F436 HydrophobicContact CD1-CE2 3.77Å; L389-F436 HydrophobicContact CD1-CZ 4.04Å
437	F	93.9	Very high	84.7	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.1	-178.4	-56	-96.6	0	0	0	110.3	F300 L328 V329 L341 V343 M356 S357 F358 F404 A435 L446	F300-F437 HydrophobicContact CE1-CD2 4.24Å; L328-F437 WeakPolarHBondContact CA-O 3.19Å; V329-F437 HydrophobicContact CG2-CB 3.75Å; V329-F437 HydrophobicContact CG2-CD2 4.27Å; V329-F437 HydrophobicContact CG2-CG 4.47Å; V329-F437 PolarHBondContact N-O 3.36Å; V329-F437 PolarHBondContact O-N 2.75Å; L341-F437 HydrophobicContact CD2-CE2 4.12Å; L341-F437 HydrophobicContact CD2-CZ 3.79Å; V343-F437 HydrophobicContact CG1-CE1 4.47Å; V343-F437 HydrophobicContact CG1-CZ 3.95Å; V343-F437 HydrophobicContact CG2-CE1 4.24Å; V343-F437 HydrophobicContact CG2-CZ 4.48Å; M356-F437 HydrophobicContact CE-CD1 3.5Å; M356-F437 HydrophobicContact CE-CE1 3.89Å; S357-F437 VanDerWaalsContact O-CA 3.31Å; S357-F437 WeakPolarHBondContact O-CA 3.43Å; F358-F437 HydrophobicContact CB-CD1 4.3Å; F358-F437 HydrophobicContact CB-CE1 4.38Å; F358-F437 AromaticContact CD2-CD1 3.81Å; F358-F437 HydrophobicContact CD2-CD1 3.81Å; F358-F437 AromaticContact CD2-CE1 3.32Å; F358-F437 HydrophobicContact CD2-CE1 3.32Å; F358-F437 HydrophobicContact CD2-CE2 4.38Å; F358-F437 AromaticContact CD2-CZ 3.64Å; F358-F437 HydrophobicContact CD2-CZ 3.64Å; F358-F437 HydrophobicContact CE2-CE1 4.01Å; F358-F437 AromaticContact CE2-CZ 3.85Å; F358-F437 HydrophobicContact CE2-CZ 3.85Å; F358-F437 HydrophobicContact CG-CE1 4.26Å; F404-F437 HydrophobicContact CD2-CE1 4.34Å; F404-F437 HydrophobicContact CD2-CZ 4.46Å; F404-F437 AromaticContact CE2-CE1 3.75Å; F404-F437 HydrophobicContact CE2-CE1 3.75Å; F404-F437 HydrophobicContact CE2-CZ 4.28Å; F404-F437 HydrophobicContact CZ-CE1 4.25Å; A435-F437 HydrophobicContact CB-CE2 4.33Å; F437-L446 HydrophobicContact CB-CD2 3.77Å; F437-L446 HydrophobicContact CD1-CD2 3.59Å; F437-L446 HydrophobicContact CD2-CD2 3.83Å; F437-L446 HydrophobicContact CE1-CD2 4.03Å; F437-L446 HydrophobicContact CE2-CD2 4.3Å; F437-L446 HydrophobicContact CG-CD2 3.45Å; F437-L446 VanDerWaalsContact CG-CD2 3.45Å; F437-L446 HydrophobicContact CZ-CD2 4.38Å
438	T	89.4	Confident	85.4	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.7	161.8	61.6	0	0	0	0	110.5	L328 M356 S357 P377 H440	L328-T438 HydrophobicContact CD2-CG2 3.35Å; L328-T438 HydrophobicContact CG-CG2 3.69Å; M356-T438 WeakPolarHBondContact CA-O 3.32Å; S357-T438 VanDerWaalsContact CB-OG1 3.26Å; S357-T438 WeakPolarHBondContact CB-OG1 3.39Å; S357-T438 PolarHBondContact N-O 2.92Å; S357-T438 PolarHBondContact O-N 2.67Å; S357-T438 VanDerWaalsContact O-N 3.1Å; S357-T438 PolarHBondContact OG-OG1 3.03Å; P377-T438 HydrophobicContact CB-CG2 3.69Å; P377-T438 HydrophobicContact CG-CG2 3.73Å; T438-H440 WeakPolarHBondContact CB-NE2 3.46Å; T438-H440 PolarHBondContact OG1-CD2 2.88Å; T438-H440 PolarHBondContact OG1-NE2 3.3Å
439	L	84.1	Confident	86.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.			trans	-97.9	122	176.4	-51.4	-179.8	0	0	0	107.9	I319 T327 V443 L446	I319-L439 HydrophobicContact CD1-CB 3.97Å; I319-L439 HydrophobicContact CG1-CB 4.34Å; I319-L439 HydrophobicContact CG2-CD1 4.29Å; T327-L439 VanDerWaalsContact CB-O 3.3Å; T327-L439 WeakPolarHBondContact CB-O 3.42Å; T327-L439 WeakPolarHBondContact CG2-O 3.4Å; T327-L439 PolarHBondContact OG1-N 3.41Å; T327-L439 PolarHBondContact OG1-O 2.76Å; L439-V443 HydrophobicContact CD2-CG1 3.98Å; L439-L446 HydrophobicContact CD1-CB 4.47Å; L439-L446 HydrophobicContact CD2-CB 3.8Å; L439-L446 HydrophobicContact CD2-CD2 4.25Å
440	H	74.5	Confident	86.9	Confident	51 Å²	51	29.2 Å²	29.2	24%	0.236	15%	0.149	C	C	.	.			trans	-135.5	146.5	177.5	-57.9	-70.9	0	0	0	111.4	G354 A355 T438 A442	G354-H440 CarbonylContact C-O 3.4Å; G354-H440 VanDerWaalsContact CA-O 3.29Å; G354-H440 WeakPolarHBondContact CA-O 3.3Å; A355-H440 WeakPolarHBondContact O-CB 3.45Å; T438-H440 WeakPolarHBondContact CB-NE2 3.46Å; T438-H440 PolarHBondContact OG1-CD2 2.88Å; T438-H440 PolarHBondContact OG1-NE2 3.3Å; H440-A442 PolarHBondContact O-N 3.5Å
441	G	69.7	Low	87.7	Confident	22 Å²	22	24.9 Å²	24.9	23%	0.227	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-122.6	176.5	0	0	0	0	0	112.8	L322 V443	L322-G441 WeakPolarHBondContact CD2-O 3.48Å; G441-V443 PolarHBondContact O-N 3.43Å
442	A	68.6	Low	88.2	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.008	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.4	-173	0	0	0	0	0	115	H347 L348 Y352 H440 N444	H347-A442 WeakPolarHBondContact CD2-CB 3.41Å; H347-A442 PolarHBondContact CD2-O 2.77Å; H347-A442 WeakPolarHBondContact NE2-CB 3.46Å; L348-A442 PolarHBondContact N-O 3.09Å; Y352-A442 WeakPolarHBondContact O-CB 3.2Å; H440-A442 PolarHBondContact O-N 3.5Å; A442-N444 PolarHBondContact O-N 2.79Å
443	V	79.8	Confident	88.2	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.7	176.2	176.4	0	0	0	0	109	V345 M356 P396 L439 G441	V345-V443 HydrophobicContact CG1-CB 4.24Å; V345-V443 HydrophobicContact CG1-CG1 3.51Å; V345-V443 HydrophobicContact CG1-CG2 3.75Å; M356-V443 HydrophobicContact CB-CG1 4.46Å; P396-V443 HydrophobicContact CG-CG2 3.8Å; L439-V443 HydrophobicContact CD2-CG1 3.98Å; G441-V443 PolarHBondContact O-N 3.43Å
444	N	83.9	Confident	87.3	Confident	19 Å²	19	28 Å²	28	10%	0.102	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-7.5	-177	81.9	-42.3	0	0	0	113.8	C318 I319 G346 H347 L348 A442	C318-N444 CarbonylContact C-O 3.5Å; C318-N444 WeakPolarHBondContact CA-O 3.47Å; I319-N444 WeakPolarHBondContact CA-O 3.24Å; I319-N444 HydrophobicContact CG1-CB 4.11Å; I319-N444 PolarHBondContact N-O 3.3Å; G346-N444 PolarHBondContact O-N 2.97Å; G346-N444 VanDerWaalsContact O-N 3.09Å; G346-N444 PolarHBondContact O-OD1 2.9Å; H347-N444 PolarHBondContact N-OD1 2.86Å; L348-N444 HydrophobicContact CD1-CB 3.72Å; L348-N444 WeakPolarHBondContact CD2-ND2 3.19Å; L348-N444 HydrophobicContact CG-CB 3.74Å; L348-N444 VanDerWaalsContact CG-CG 3.4Å; L348-N444 WeakPolarHBondContact CG-ND2 3.38Å; A442-N444 PolarHBondContact O-N 2.79Å
445	R	88.4	Confident	85.2	Confident	105 Å²	105	31.3 Å²	31.3	40%	0.396	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.4	-179	178.3	-177.8	-65.2	-102.1	-0.7	109.3	A317 C318 G346	A317-R445 CarbonylContact O-C 3.51Å; A317-R445 WeakPolarHBondContact O-CA 3.32Å; C318-R445 PolarHBondContact SG-NH1 3.11Å; C318-R445 VanDerWaalsContact SG-NH1 3.38Å; G346-R445 PolarHBondContact N-O 2.82Å; G346-R445 PolarHBondContact O-N 2.97Å
446	L	92.6	Very high	82.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.6	170.9	-168.3	70.2	0	0	0	108.2	F300 A316 A317 V343 E344 V345 M356 F437 L439	F300-L446 HydrophobicContact CE1-CD2 4.26Å; F300-L446 WeakPolarHBondContact CE2-O 3.32Å; F300-L446 HydrophobicContact CZ-CB 4.28Å; F300-L446 HydrophobicContact CZ-CD2 3.92Å; F300-L446 HydrophobicContact CZ-CG 4.09Å; A316-L446 CarbonylContact C-O 3.57Å; A316-L446 WeakPolarHBondContact CA-O 3.23Å; A317-L446 PolarHBondContact N-O 3.05Å; A317-L446 PolarHBondContact O-N 3.35Å; V343-L446 HydrophobicContact CB-CD1 3.91Å; V343-L446 HydrophobicContact CB-CG 4.24Å; V343-L446 HydrophobicContact CG2-CD1 3.83Å; E344-L446 CarbonylContact O-C 3.53Å; E344-L446 WeakPolarHBondContact O-CA 3.45Å; V345-L446 HydrophobicContact CG2-CD1 4Å; M356-L446 HydrophobicContact CE-CD1 3.95Å; M356-L446 HydrophobicContact CE-CD2 4.39Å; M356-L446 HydrophobicContact SD-CD1 4.29Å; F437-L446 HydrophobicContact CB-CD2 3.77Å; F437-L446 HydrophobicContact CD1-CD2 3.59Å; F437-L446 HydrophobicContact CD2-CD2 3.83Å; F437-L446 HydrophobicContact CE1-CD2 4.03Å; F437-L446 HydrophobicContact CE2-CD2 4.3Å; F437-L446 HydrophobicContact CG-CD2 3.45Å; F437-L446 VanDerWaalsContact CG-CD2 3.45Å; F437-L446 HydrophobicContact CZ-CD2 4.38Å; L439-L446 HydrophobicContact CD1-CB 4.47Å; L439-L446 HydrophobicContact CD2-CB 3.8Å; L439-L446 HydrophobicContact CD2-CD2 4.25Å
447	R	93.8	Very high	79.9	Confident	96 Å²	96	42.2 Å²	42.2	36%	0.362	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.3	-179.7	-175	175.3	76.4	99.5	-10.3	110.5	L315 A316 V343 E344 L449	L315-R447 CarbonylContact O-C 3.47Å; L315-R447 WeakPolarHBondContact O-CA 3.37Å; A316-R447 HydrophobicContact CB-CB 4.29Å; A316-R447 HydrophobicContact CB-CG 4.21Å; V343-R447 CarbonylContact C-O 3.42Å; V343-R447 WeakPolarHBondContact CA-O 3.09Å; E344-R447 HydrophobicContact CB-CB 4.36Å; E344-R447 PolarHBondContact N-O 2.83Å; E344-R447 PolarHBondContact O-N 2.95Å; E344-R447 IonicContact OE2-CZ 3.37Å; E344-R447 IonicContact OE2-NE 3.03Å; E344-R447 PolarHBondContact OE2-NE 2.96Å; E344-R447 IonicContact OE2-NH2 2.86Å; E344-R447 PolarHBondContact OE2-NH2 3Å; R447-L449 PolarHBondContact O-N 2.76Å
448	I	95.8	Very high	76.7	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.6	170.3	-63.3	170.8	0	0	0	107.9	L298 F300 L315 L341 V343	L298-I448 WeakPolarHBondContact O-CG2 3.37Å; F300-I448 HydrophobicContact CD1-CD1 3.85Å; F300-I448 HydrophobicContact CD2-CD1 4.04Å; F300-I448 HydrophobicContact CD2-CG1 4.33Å; F300-I448 HydrophobicContact CE1-CD1 3.82Å; F300-I448 HydrophobicContact CE1-CG1 4.03Å; F300-I448 HydrophobicContact CE2-CD1 4.01Å; F300-I448 HydrophobicContact CE2-CG1 3.82Å; F300-I448 HydrophobicContact CG-CD1 3.96Å; F300-I448 HydrophobicContact CZ-CD1 3.9Å; F300-I448 HydrophobicContact CZ-CG1 3.66Å; L315-I448 HydrophobicContact CD2-CB 4.44Å; L315-I448 PolarHBondContact O-N 3.16Å; L341-I448 HydrophobicContact CD1-CG2 4.03Å; V343-I448 HydrophobicContact CG1-CG1 4.14Å
449	L	92.9	Very high	74.1	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-20	174.7	-58.4	-172.6	0	0	0	112.3	L290 L294 Y342 E344 V401 R447	L290-L449 HydrophobicContact CD1-CD1 3.83Å; L294-L449 HydrophobicContact CD1-CB 3.93Å; L294-L449 WeakPolarHBondContact CD1-O 3.33Å; Y342-L449 PolarHBondContact O-N 2.94Å; E344-L449 HydrophobicContact CB-CD1 4.22Å; E344-L449 HydrophobicContact CB-CD2 3.89Å; E344-L449 HydrophobicContact CB-CG 4.13Å; V401-L449 HydrophobicContact CB-CD1 4.34Å; V401-L449 HydrophobicContact CG1-CD1 3.61Å; V401-L449 HydrophobicContact CG2-CD1 3.76Å; R447-L449 PolarHBondContact O-N 2.76Å
450	G	92.1	Very high	71.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.7	-173.4	-178	0	0	0	0	0	112.1	D295 Y342	D295-G450 CarbonylContact O-C 3.56Å; D295-G450 WeakPolarHBondContact O-CA 3.36Å; Y342-G450 PolarHBondContact N-O 3.16Å
451	T	93	Very high	69.7	Low	2 Å²	2	62.7 Å²	62.7	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	160.6	178.6	69	0	0	0	0	112.4	D295 L298 R333 E339 T340 L341	D295-T451 PolarHBondContact N-O 3.12Å; D295-T451 PolarHBondContact O-N 3.48Å; L298-T451 HydrophobicContact CB-CG2 3.81Å; L298-T451 HydrophobicContact CD2-CG2 3.72Å; L298-T451 HydrophobicContact CG-CG2 4.36Å; R333-T451 PolarHBondContact NH2-OG1 3.12Å; E339-T451 HydrophobicContact CG-CG2 4.35Å; E339-T451 WeakPolarHBondContact OE1-CB 3.37Å; E339-T451 VanDerWaalsContact OE1-CG2 3.25Å; E339-T451 WeakPolarHBondContact OE1-CG2 3.2Å; E339-T451 PolarHBondContact OE1-OG1 3.43Å; T340-T451 CarbonylContact O-C 3.58Å; T340-T451 WeakPolarHBondContact O-CA 3.38Å; T340-T451 WeakPolarHBondContact O-CB 3.22Å; L341-T451 HydrophobicContact CD1-CG2 4.12Å
452	L	91.7	Very high	67.9	Low	60 Å²	60	68.1 Å²	68.1	31%	0.314	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.4	174.7	-176.6	70	0	0	0	109.9	P291 L294 T340 Y342	P291-L452 HydrophobicContact CB-CD2 3.91Å; P291-L452 HydrophobicContact CG-CD2 3.74Å; L294-L452 HydrophobicContact CD2-CB 4.04Å; T340-L452 PolarHBondContact N-O 2.84Å; T340-L452 PolarHBondContact O-N 2.78Å; Y342-L452 HydrophobicContact CE2-CB 3.84Å
453	Q	87.9	Confident	66.2	Low	107 Å²	107	74.6 Å²	74.6	50%	0.5	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125	172.7	-168.7	66.9	6.4	0	0	110	V337 S455	V337-Q453 PolarHBondContact O-NE2 2.8Å; Q453-S455 PolarHBondContact O-N 3.4Å
454	S	73.6	Confident	64	Low	73 Å²	73	80.1 Å²	80.1	51%	0.51	48%	0.483	S	S	.	.			trans	-70.3	114.2	170.2	69	0	0	0	0	109.3	G338	G338-S454 WeakPolarHBondContact O-CB 3.44Å; G338-S454 PolarHBondContact O-N 3.04Å; G338-S454 PolarHBondContact O-OG 3.49Å; G338-S454 VanDerWaalsContact O-OG 3.07Å
455	S	51	Low	61.6	Low	100 Å²	100	88.5 Å²	88.5	70%	0.699	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-63.5	138.6	167.4	53.9	0	0	0	0	109.7	Q453	Q453-S455 PolarHBondContact O-N 3.4Å
456	P	44.2	Very low	58.9	Low	107 Å²	107	89.3 Å²	89.3	70%	0.695	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-59.1	144.2	169.9	25.4	-32.3	0	0	0	109.7	C458	P456-C458 PolarHBondContact O-N 3.14Å; P456-C458 VanDerWaalsContact O-N 3.13Å
457	P	37.5	Very low	56	Low	122 Å²	122	95 Å²	95	79%	0.792	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-64.3	116.9	-179.2	23.8	-31.2	0	0	0	110.6	T459	P457-T459 PolarHBondContact O-N 3.02Å
458	C	26.3	Very low	53.3	Low	120 Å²	120	95.8 Å²	95.8	81%	0.811	60%	0.603	S	S	*	*			trans	-70.7	101.7	165.8	-84.3	0	0	0	0	109.4	P456 S460	P456-C458 PolarHBondContact O-N 3.14Å; P456-C458 VanDerWaalsContact O-N 3.13Å; C458-S460 PolarHBondContact O-N 3.04Å; C458-S460 VanDerWaalsContact O-N 3.15Å
459	T	33.9	Very low	50.8	Low	141 Å²	141	100.9 Å²	100.9	87%	0.865	64%	0.637	S	S	*	*			trans	-74	96	161.2	25.2	0	0	0	0	109.2	P457	P457-T459 PolarHBondContact O-N 3.02Å
460	S	30.3	Very low	48	Very low	97 Å²	97	107.1 Å²	107.1	68%	0.678	67%	0.67	S	S	*	*			trans	-92.9	124.5	159.1	-53.9	0	0	0	0	107.5	C458 T462	C458-S460 PolarHBondContact O-N 3.04Å; C458-S460 VanDerWaalsContact O-N 3.15Å; S460-T462 PolarHBondContact O-N 2.99Å
461	P	37.2	Very low	45.1	Very low	126 Å²	126	114.2 Å²	114.2	82%	0.818	71%	0.708	S	S	*	*			trans	-79.8	110.1	178	30.1	-28.9	0	0	0	109.2	T463	P461-T463 PolarHBondContact O-N 2.95Å
462	T	31.1	Very low	42.5	Very low	136 Å²	136	119.1 Å²	119.1	83%	0.834	74%	0.742	S	S	*	*			trans	-73.4	108.9	164.7	-3.5	0	0	0	0	108.3	S460 S464	S460-T462 PolarHBondContact O-N 2.99Å; T462-S464 PolarHBondContact O-N 2.86Å
463	T	33.2	Very low	39.7	Very low	137 Å²	137	123.5 Å²	123.5	84%	0.84	77%	0.766	S	S	*	*			trans	-50.6	118.9	162.8	35.5	0	0	0	0	111.2	P461	P461-T463 PolarHBondContact O-N 2.95Å
464	S	33.9	Very low	37.3	Very low	117 Å²	117	123.8 Å²	123.8	82%	0.818	78%	0.78	S	S	*	*			trans	-130.7	114.5	156	58.6	0	0	0	0	109	T462	T462-S464 PolarHBondContact O-N 2.86Å
465	Q	32.6	Very low	35.3	Very low	195 Å²	195	127.5 Å²	127.5	91%	0.911	79%	0.794	S	S	*	*			trans	-64.3	132.1	176.2	-64.9	167.7	-11.4	0	0	110.7
466	S	31.9	Very low	34.5	Very low	122 Å²	122	130.6 Å²	130.6	85%	0.853	80%	0.802	S	S	*	*			trans	-151	127	147.1	71.8	0	0	0	0	109.8
467	S	33.1	Very low	33.8	Very low	119 Å²	119	129 Å²	129	83%	0.832	80%	0.798	S	S	*	*			trans	-77.3	137.3	-172.7	48.7	0	0	0	0	114.9
468	S	37.2	Very low	33.4	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	80%	0.8	S	S	*	*			trans	-168.9	136.4	136.7	53.4	0	0	0	0	110.1
469	P	42.3	Very low	33.5	Very low	110 Å²	110	132.1 Å²	132.1	71%	0.714	80%	0.801	S	S	*	*			trans	-93.8	146.3	179.4	37.5	-30.5	0	0	0	111.3
470	D	33.6	Very low	33.3	Very low	146 Å²	146	132 Å²	132	78%	0.781	80%	0.799	S	S	*	*				166.8	137.1	122.8	-83.7	-22.5	0	0	0	112.6
471	D	32.8	Very low	33.4	Very low	149 Å²	149	134.6 Å²	134.6	80%	0.797	81%	0.805	S	S	*	*			trans	70.6	101.7	156.8	-68.1	-19.9	0	0	0	123.1
472	S	37.1	Very low	33	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	81%	0.809	S	S	*	*				-5.8	149	123.6	-47.8	0	0	0	0	116.2
473	D	32.7	Very low	33.1	Very low	151 Å²	151	137.7 Å²	137.7	81%	0.807	80%	0.8	S	S	*	*			cis	-171.4	170.3	33.3	-141	-16.7	0	0	0	109.9
474	S	37.5	Very low	33.1	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	80%	0.797	S	S	*	*			trans	95.4	118.1	157.1	65.9	0	0	0	0	122.2
475	D	32.8	Very low	33.2	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	80%	0.798	S	S	*	*			trans	-61.3	150.5	176.9	-66.9	-58.7	0	0	0	116
476	L	34.4	Very low	33	Very low	165 Å²	165	130.9 Å²	130.9	86%	0.864	78%	0.784	S	S	*	*				174.5	142.1	93	-120.6	114.9	0	0	0	111.3
477	A	29.1	Very low	32.9	Very low	75 Å²	75	130 Å²	130	62%	0.62	78%	0.778	S	S	*	*			trans	124.9	109.3	134	0	0	0	0	0	117.2
478	F	27.8	Very low	32.8	Very low	188 Å²	188	132.8 Å²	132.8	83%	0.825	78%	0.778	S	S	*	*			trans	58.8	115.2	150.1	-59.1	-72.9	0	0	0	119.6
479	S	29.3	Very low	32.4	Very low	119 Å²	119	132.4 Å²	132.4	83%	0.832	78%	0.775	S	S	*	*				-174.3	136.9	94.8	-72.9	0	0	0	0	111.9
480	V	30.5	Very low	31.7	Very low	138 Å²	138	132.1 Å²	132.1	84%	0.836	78%	0.776	S	S	*	*			trans	-73	123.2	-179.3	177.3	0	0	0	0	109.7
481	N	31.2	Very low	31.5	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	78%	0.778	S	S	*	*			trans	-117.2	125.2	158.4	-111.2	1.3	0	0	0	107.7
482	R	29.6	Very low	31.2	Very low	234 Å²	234	131.7 Å²	131.7	88%	0.883	78%	0.777	S	S	*	*			trans	-162	100	149.4	-110.8	-176.1	-174.3	-166.2	2.1	106.4
483	S	32.9	Very low	30.8	Very low	93 Å²	93	132.7 Å²	132.7	65%	0.65	78%	0.779	S	S	*	*				70.4	108	73	-60.7	0	0	0	0	113.2
484	S	34	Very low	30.7	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	77%	0.774	S	S	*	*				88.9	139.7	119.5	-56.4	0	0	0	0	120.8
485	S	33.9	Very low	30.5	Very low	120 Å²	120	129.8 Å²	129.8	84%	0.839	77%	0.772	S	S	*	*			trans	78.9	142.8	139.9	-166.8	0	0	0	0	115.2
486	A	29.2	Very low	30.3	Very low	74 Å²	74	127.9 Å²	127.9	61%	0.612	77%	0.771	S	S	*	*			cis	-174.3	174	-17.7	0	0	0	0	0	104.1
487	S	30.6	Very low	30.2	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	77%	0.768	S	S	*	*			trans	91.8	111.9	146.8	-48	0	0	0	0	119.3
488	E	29.5	Very low	30.6	Very low	177 Å²	177	128 Å²	128	83%	0.827	78%	0.778	S	S	*	*				54.9	109	117.5	-52.6	-155.9	128.7	0	0	120.3
489	S	28.8	Very low	30.7	Very low	105 Å²	105	127.1 Å²	127.1	73%	0.734	78%	0.781	S	S	*	*				57.6	119	125.7	-54.8	0	0	0	0	119.5
490	S	29	Very low	30.8	Very low	104 Å²	104	126.9 Å²	126.9	73%	0.727	78%	0.779	S	S	*	*				162.2	130.9	104	-77.8	0	0	0	0	114.3
491	L	28	Very low	31.2	Very low	158 Å²	158	125.8 Å²	125.8	83%	0.827	78%	0.775	S	S	*	*			trans	91.9	124.3	136.2	-68.5	166.6	0	0	0	122
492	V	27.5	Very low	31.4	Very low	128 Å²	128	124.7 Å²	124.7	78%	0.776	78%	0.776	S	S	*	*			trans	85.2	126.6	135.4	174.3	0	0	0	0	115.3
493	T	28.3	Very low	31.5	Very low	126 Å²	126	120 Å²	120	77%	0.773	77%	0.774	S	S	*	*			cis	-156.5	153.1	10.2	-32.3	0	0	0	0	109
494	A	31	Very low	31.5	Very low	85 Å²	85	120.9 Å²	120.9	70%	0.702	78%	0.78	S	S	*	*			trans	-64.4	165.2	164	0	0	0	0	0	112.9
495	P	33	Very low	31.4	Very low	119 Å²	119	121.6 Å²	121.6	77%	0.773	78%	0.782	S	S	*	*				-138	135	112.9	31.6	-16	0	0	0	115.3
496	S	28.6	Very low	31.2	Very low	110 Å²	110	121 Å²	121	77%	0.769	78%	0.777	S	S	*	*			trans	49.2	108.4	130.9	-39.6	0	0	0	0	120.9
497	S	33.2	Very low	31.4	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	79%	0.791	S	S	*	*			trans	-59.5	163.4	149.6	-45.5	0	0	0	0	112.3
498	P	36.8	Very low	31.2	Very low	128 Å²	128	127.2 Å²	127.2	83%	0.831	80%	0.797	S	S	*	*			trans	-122	141.6	134.9	31.2	-20.1	0	0	0	112.6
499	L	29.1	Very low	31.5	Very low	169 Å²	169	123.5 Å²	123.5	89%	0.885	80%	0.796	S	S	*	*			trans	-69.7	139.2	174.9	-69.1	140.6	0	0	0	111.3
500	S	32.7	Very low	31.8	Very low	114 Å²	114	124 Å²	124	80%	0.797	80%	0.8	S	S	*	*			trans	-162.3	133.5	145.3	-74.9	0	0	0	0	110
501	P	37.8	Very low	31.7	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.9	150	177.7	31.6	-32.2	0	0	0	111.6	T503	P501-T503 PolarHBondContact O-N 2.78Å
502	P	35.5	Very low	32	Very low	129 Å²	129	128.5 Å²	128.5	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.9	122.1	175.1	29.1	-30.3	0	0	0	111.1
503	T	32.7	Very low	32.2	Very low	136 Å²	136	127.7 Å²	127.7	83%	0.834	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.9	135.8	167.7	-9.6	0	0	0	0	110.5	P501	P501-T503 PolarHBondContact O-N 2.78Å
504	S	31.7	Very low	32.5	Very low	110 Å²	110	127.6 Å²	127.6	77%	0.769	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.9	137	172.8	-32.9	0	0	0	0	110.8
505	P	33.3	Very low	32.9	Very low	128 Å²	128	128.6 Å²	128.6	83%	0.831	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.9	126.2	166.2	28.3	-26.5	0	0	0	110.4
506	S	29.6	Very low	32.8	Very low	106 Å²	106	126.1 Å²	126.1	74%	0.741	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.2	140.6	169.5	-178.1	0	0	0	0	111.5	T508	S506-T508 PolarHBondContact O-N 2.9Å
507	L	33.6	Very low	33.6	Very low	170 Å²	170	131 Å²	131	89%	0.89	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-55.7	123.3	166.6	-66.3	166.5	0	0	0	109.6
508	T	24.9	Very low	34.5	Very low	139 Å²	139	130.1 Å²	130.1	85%	0.853	81%	0.814	S	S	*	*			trans	-117.3	126.1	157.4	34.6	0	0	0	0	107.7	S506	S506-T508 PolarHBondContact O-N 2.9Å
509	A	36.3	Very low	36	Very low	99 Å²	99	126 Å²	126	82%	0.818	80%	0.795	S	S	*	*			trans	-74.8	156.4	180	0	0	0	0	0	110.9
510	S	34.7	Very low	38.5	Very low	115 Å²	115	123 Å²	123	80%	0.804	78%	0.776	S	S	*	*			trans	93.2	93.7	164	-153.6	0	0	0	0	116
511	E	28.2	Very low	40.6	Very low	187 Å²	187	117.6 Å²	117.6	87%	0.874	74%	0.738	S	S	*	*				-174.7	102	109.7	-98.5	178.2	163.8	0	0	109.5
512	L	33	Very low	42.4	Very low	171 Å²	171	114.6 Å²	114.6	90%	0.895	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-78.2	130.9	167.8	-84.5	155.1	0	0	0	109
513	P	32.4	Very low	44.1	Very low	111 Å²	111	112 Å²	112	72%	0.721	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-72.2	152.4	159.3	-9.1	26	0	0	0	110.2
514	P	34.8	Very low	45.9	Very low	124 Å²	124	107.8 Å²	107.8	81%	0.805	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-71.1	148.8	-156.7	28.5	-34.6	0	0	0	113.8	G516	P514-G516 PolarHBondContact O-N 2.99Å
515	A	38.8	Very low	47.5	Very low	106 Å²	106	109.3 Å²	109.3	88%	0.876	67%	0.665	S	S	*	*			trans	-48.4	100.9	173.2	0	0	0	0	0	112.2	K517	A515-K517 PolarHBondContact O-N 2.97Å
516	G	31.7	Very low	49.3	Very low	66 Å²	66	109.7 Å²	109.7	68%	0.68	66%	0.66	S	S	*	*			trans	-74.5	113.4	162.6	0	0	0	0	0	109.2	P514 S518	P514-G516 PolarHBondContact O-N 2.99Å; G516-S518 PolarHBondContact O-N 2.96Å
517	K	45.2	Very low	51.7	Low	212 Å²	212	108 Å²	108	92%	0.922	64%	0.64	S	S	*	*			trans	-29.8	112.5	173.1	-62.3	167	178.4	177.1	0	113.8	A515	A515-K517 PolarHBondContact O-N 2.97Å
518	S	51.6	Low	54.2	Low	98 Å²	98	106 Å²	106	69%	0.685	63%	0.626	S	S	*	*			trans	-156.7	65.4	157.3	55.1	0	0	0	0	110.7	G516 E520	G516-S518 PolarHBondContact O-N 2.96Å; S518-E520 PolarHBondContact O-N 2.93Å
519	G	67.8	Low	57.3	Low	41 Å²	41	99.9 Å²	99.9	42%	0.423	59%	0.589	S	S	.	*			trans	-73.8	11.8	167.6	0	0	0	0	0	113.5	E528 V529	G519-E528 CarbonylContact O-C 3.56Å; G519-E528 VanDerWaalsContact O-CA 3.23Å; G519-E528 WeakPolarHBondContact O-CA 3.5Å; G519-V529 PolarHBondContact O-N 3.24Å
520	E	81.6	Confident	59.9	Low	107 Å²	107	96.8 Å²	96.8	50%	0.5	56%	0.559	S	S	.	*	B	Isolated β-bridge	trans	-105.4	146.3	-170.8	-64.6	172.1	166.3	0	0	111.2	S518 T522 V529	S518-E520 PolarHBondContact O-N 2.93Å; E520-T522 PolarHBondContact O-N 3.14Å; E520-V529 VanDerWaalsContact C-CG2 3.49Å; E520-V529 WeakPolarHBondContact O-CG2 3.46Å
521	C	78.6	Confident	62.5	Low	0 Å²	0	91.3 Å²	91.3	0%	0	52%	0.52	C	S	.	.			trans	-59.6	126.9	-178.8	172.3	0	0	0	0	111.7	I523 C524 F525 Q527 C542 C545	C521-I523 PolarHBondContact O-N 3.05Å; C521-C524 WeakPolarHBondContact CB-SG 3.43Å; C521-F525 VanDerWaalsContact O-CA 3.26Å; C521-F525 WeakPolarHBondContact O-CA 3.46Å; C521-F525 PolarHBondContact O-N 3.43Å; C521-Q527 VanDerWaalsContact CB-O 3.24Å; C521-Q527 WeakPolarHBondContact CB-O 3.22Å; C521-Q527 PolarHBondContact N-O 3.13Å; C521-C542 HydrophobicContact CB-CB 3.88Å; C521-C542 PolarHBondContact SG-N 2.91Å; C521-C545 VanDerWaalsContact SG-SG 3.64Å
522	T	75.4	Confident	65.5	Low	52 Å²	52	83.7 Å²	83.7	32%	0.319	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-3.1	-177.6	63.3	0	0	0	0	114.3	E520 F525 C540	E520-T522 PolarHBondContact O-N 3.14Å; T522-F525 VanDerWaalsContact O-CE2 3.24Å; T522-F525 WeakPolarHBondContact O-CE2 3.41Å; T522-F525 VanDerWaalsContact O-CZ 3.32Å; T522-F525 WeakPolarHBondContact O-CZ 3.48Å; T522-C540 HydrophobicContact CG2-CB 3.9Å; T522-C540 PolarHBondContact N-O 3.04Å; T522-C540 PolarHBondContact OG1-O 2.75Å; T522-C540 VanDerWaalsContact OG1-O 3.12Å
523	I	69.4	Low	68.2	Low	75 Å²	75	75.5 Å²	75.5	39%	0.385	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-47.7	178.3	-67.4	-174.8	0	0	0	111.3	C521 L541 C545 L549	C521-I523 PolarHBondContact O-N 3.05Å; I523-L541 HydrophobicContact CB-CD2 4.21Å; I523-L541 HydrophobicContact CD1-CD1 4.43Å; I523-L541 HydrophobicContact CD1-CD2 3.29Å; I523-L541 HydrophobicContact CD1-CG 4.5Å; I523-L541 HydrophobicContact CG1-CD2 3.43Å; I523-L541 VanDerWaalsContact CG1-CD2 3.43Å; I523-C545 HydrophobicContact CB-CB 4.06Å; I523-C545 HydrophobicContact CD1-CB 4.35Å; I523-C545 HydrophobicContact CG2-CB 4.19Å; I523-L549 HydrophobicContact CD1-CD1 4.46Å; I523-L549 HydrophobicContact CD1-CD2 3.98Å
524	C	70.9	Confident	70.7	Confident	47 Å²	47	77.9 Å²	77.9	32%	0.318	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-22.6	-177.3	63.9	0	0	0	0	113.8	C521 D526	C521-C524 WeakPolarHBondContact CB-SG 3.43Å; C524-D526 HydrophobicContact CB-CB 4.19Å; C524-D526 PolarHBondContact O-N 3.38Å; C524-D526 VanDerWaalsContact O-N 3.12Å
525	F	65.4	Low	72.7	Confident	141 Å²	141	73.8 Å²	73.8	62%	0.618	41%	0.412	S	S	*	.	S	Bend	trans	50.7	29.3	-173.9	-58.8	-86	0	0	0	113.4	C521 T522	C521-F525 VanDerWaalsContact O-CA 3.26Å; C521-F525 WeakPolarHBondContact O-CA 3.46Å; C521-F525 PolarHBondContact O-N 3.43Å; T522-F525 VanDerWaalsContact O-CE2 3.24Å; T522-F525 WeakPolarHBondContact O-CE2 3.41Å; T522-F525 VanDerWaalsContact O-CZ 3.32Å; T522-F525 WeakPolarHBondContact O-CZ 3.48Å
526	D	71.8	Confident	74.8	Confident	136 Å²	136	69.7 Å²	69.7	73%	0.727	38%	0.376	S	S	*	.	S	Bend	trans	-126.8	-40.5	-171.5	-170	32.5	0	0	0	111.5	C524	C524-D526 HydrophobicContact CB-CB 4.19Å; C524-D526 PolarHBondContact O-N 3.38Å; C524-D526 VanDerWaalsContact O-N 3.12Å
527	Q	79	Confident	77.2	Confident	72 Å²	72	69 Å²	69	34%	0.336	37%	0.369	S	S	.	.	S	Bend	trans	-107	151.4	178.1	-64.8	178.7	16.7	0	0	111.5	C521 C542 D544	C521-Q527 VanDerWaalsContact CB-O 3.24Å; C521-Q527 WeakPolarHBondContact CB-O 3.22Å; C521-Q527 PolarHBondContact N-O 3.13Å; Q527-C542 HydrophobicContact CB-CB 3.58Å; Q527-C542 PolarHBondContact OE1-SG 2.75Å; Q527-D544 PolarHBondContact NE2-OD2 2.83Å; Q527-D544 PolarHBondContact OE1-OD2 2.81Å
528	E	87.4	Confident	79.1	Confident	127 Å²	127	61.7 Å²	61.7	59%	0.593	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-63.7	152.1	173.2	-70.5	-166.3	-170.4	0	0	112.8	G519 D530 C542 R572	G519-E528 CarbonylContact O-C 3.56Å; G519-E528 VanDerWaalsContact O-CA 3.23Å; G519-E528 WeakPolarHBondContact O-CA 3.5Å; E528-D530 PolarHBondContact O-N 2.81Å; E528-C542 VanDerWaalsContact O-CB 3.31Å; E528-C542 WeakPolarHBondContact O-CB 3.28Å; E528-R572 IonicContact OE2-NH1 2.99Å; E528-R572 PolarHBondContact OE2-NH1 3.45Å
529	V	89.9	Confident	80.9	Confident	11 Å²	11	61.3 Å²	61.3	7%	0.067	33%	0.327	C	S	.	.			trans	-70.2	110.6	172.8	176.9	0	0	0	0	109.8	G519 E520 M539 L541 R572	G519-V529 PolarHBondContact O-N 3.24Å; E520-V529 VanDerWaalsContact C-CG2 3.49Å; E520-V529 WeakPolarHBondContact O-CG2 3.46Å; V529-M539 HydrophobicContact CG1-CB 3.76Å; V529-M539 WeakPolarHBondContact CG1-O 3.34Å; V529-L541 WeakPolarHBondContact CA-O 3.46Å; V529-R572 PolarHBondContact O-NH2 3.36Å
530	D	90.2	Very high	81.6	Confident	34 Å²	34	59.7 Å²	59.7	18%	0.182	31%	0.309	C	S	.	.			trans	-126.4	9.3	177.4	74.3	-13	0	0	0	112.8	E528 L541 C542 N543 K569 T570	E528-D530 PolarHBondContact O-N 2.81Å; D530-L541 PolarHBondContact N-O 2.74Å; D530-C542 VanDerWaalsContact OD1-C 3.28Å; D530-C542 VanDerWaalsContact OD1-CA 3.25Å; D530-C542 WeakPolarHBondContact OD1-CA 3.39Å; D530-N543 WeakPolarHBondContact OD1-CB 3.38Å; D530-N543 PolarHBondContact OD1-N 2.93Å; D530-K569 WeakPolarHBondContact OD2-CE 3.37Å; D530-K569 IonicContact OD2-NZ 3.51Å; D530-K569 PolarHBondContact OD2-NZ 3.14Å; D530-T570 PolarHBondContact O-N 3.06Å; D530-T570 PolarHBondContact O-OG1 3.23Å
531	T	90.1	Very high	81.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	-172.8	-63.3	0	0	0	0	112.7	M539 L541 N543 V567 I568	T531-M539 WeakPolarHBondContact O-CA 3.47Å; T531-L541 WeakPolarHBondContact CB-O 3.45Å; T531-L541 PolarHBondContact N-O 2.93Å; T531-L541 VanDerWaalsContact N-O 3.07Å; T531-N543 WeakPolarHBondContact OG1-CA 3.15Å; T531-N543 WeakPolarHBondContact OG1-CB 3.24Å; T531-N543 PolarHBondContact OG1-N 2.98Å; T531-N543 VanDerWaalsContact OG1-N 3.1Å; T531-V567 HydrophobicContact CG2-CB 3.74Å; T531-V567 HydrophobicContact CG2-CG1 4.35Å; T531-V567 HydrophobicContact CG2-CG2 4.47Å; T531-I568 WeakPolarHBondContact CA-O 3.44Å
532	V	91.2	Very high	82.5	Confident	26 Å²	26	54.6 Å²	54.6	16%	0.158	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.4	174.7	70.6	0	0	0	0	111.1	G537 M539 V567 I568 T570	V532-G537 WeakPolarHBondContact CG2-O 3.22Å; V532-M539 HydrophobicContact CB-CG 3.8Å; V532-M539 HydrophobicContact CG2-CG 3.83Å; V532-V567 WeakPolarHBondContact O-CA 3.37Å; V532-I568 HydrophobicContact CG1-CB 3.85Å; V532-I568 WeakPolarHBondContact CG1-O 3.35Å; V532-I568 PolarHBondContact N-O 3.43Å; V532-I568 PolarHBondContact O-N 3.44Å; V532-T570 HydrophobicContact CB-CG2 4.07Å; V532-T570 HydrophobicContact CG1-CG2 3.78Å
533	I	89.9	Confident	83.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.7	174.8	-64.6	163.3	0	0	0	109.2	T535 C536 G537 H538 L541 C557 I564 V567	I533-T535 VanDerWaalsContact C-N 3.27Å; I533-T535 PolarHBondContact O-N 2.92Å; I533-T535 VanDerWaalsContact O-N 3.17Å; I533-C536 WeakPolarHBondContact CG2-SG 3.29Å; I533-C536 PolarHBondContact O-N 2.78Å; I533-C536 VanDerWaalsContact O-N 3.13Å; I533-G537 PolarHBondContact O-N 2.81Å; I533-H538 PolarHBondContact N-O 3.44Å; I533-H538 VanDerWaalsContact N-O 3.08Å; I533-L541 HydrophobicContact CD1-CD1 4.07Å; I533-L541 HydrophobicContact CG1-CD1 4.35Å; I533-C557 HydrophobicContact CD1-CB 3.76Å; I533-C557 VanDerWaalsContact CD1-SG 3.53Å; I533-C557 HydrophobicContact CG2-CB 4.45Å; I533-I564 HydrophobicContact CD1-CD1 4Å; I533-I564 HydrophobicContact CG1-CD1 4.26Å; I533-I564 HydrophobicContact CG2-CB 4.42Å; I533-I564 HydrophobicContact CG2-CD1 4.36Å; I533-I564 HydrophobicContact CG2-CG1 3.81Å; I533-I564 HydrophobicContact CG2-CG2 4.27Å; I533-V567 HydrophobicContact CG1-CG1 4.24Å
534	Y	83.2	Confident	84.1	Confident	161 Å²	161	53.2 Å²	53.2	63%	0.631	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.4	-171.6	177	-106.7	0	0	0	113.5	C536 D566 I568	Y534-C536 VanDerWaalsContact C-N 3.3Å; Y534-C536 PolarHBondContact O-N 2.9Å; Y534-D566 WeakPolarHBondContact CB-O 3.28Å; Y534-D566 PolarHBondContact N-O 2.85Å; Y534-I568 HydrophobicContact CD2-CD1 3.74Å; Y534-I568 HydrophobicContact CG-CD1 4.45Å
535	T	78.3	Confident	84.6	Confident	38 Å²	38	51.6 Å²	51.6	23%	0.233	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.4	-175.7	52.1	0	0	0	0	114.5	I533 P563 K565	I533-T535 VanDerWaalsContact C-N 3.27Å; I533-T535 PolarHBondContact O-N 2.92Å; I533-T535 VanDerWaalsContact O-N 3.17Å; T535-P563 WeakPolarHBondContact CB-O 3.34Å; T535-P563 WeakPolarHBondContact CG2-O 3.32Å; T535-P563 PolarHBondContact OG1-O 2.88Å; T535-K565 HydrophobicContact CG2-CB 3.61Å; T535-K565 HydrophobicContact CG2-CD 3.9Å; T535-K565 HydrophobicContact CG2-CG 3.66Å
536	C	82.9	Confident	85.6	Confident	19 Å²	19	44.9 Å²	44.9	13%	0.128	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.2	-7.6	-176.2	67.7	0	0	0	0	117	I533 Y534 H538 C557 C560 R562	I533-C536 WeakPolarHBondContact CG2-SG 3.29Å; I533-C536 PolarHBondContact O-N 2.78Å; I533-C536 VanDerWaalsContact O-N 3.13Å; Y534-C536 VanDerWaalsContact C-N 3.3Å; Y534-C536 PolarHBondContact O-N 2.9Å; C536-H538 PolarHBondContact O-N 3.17Å; C536-H538 PolarHBondContact SG-ND1 3.25Å; C536-H538 VanDerWaalsContact SG-ND1 3.37Å; C536-C557 VanDerWaalsContact SG-CB 3.58Å; C536-C557 PolarHBondContact SG-SG 3.41Å; C536-C560 WeakPolarHBondContact CB-SG 3.45Å; C536-R562 VanDerWaalsContact CA-NH1 3.33Å; C536-R562 HydrophobicContact CB-CB 4.24Å; C536-R562 VanDerWaalsContact CB-NH1 3.28Å
537	G	81.2	Confident	86.3	Confident	51 Å²	51	42.2 Å²	42.2	53%	0.526	22%	0.219	S	C	.	.			trans	74.9	0.9	176.9	0	0	0	0	0	115.2	V532 I533	V532-G537 WeakPolarHBondContact CG2-O 3.22Å; I533-G537 PolarHBondContact O-N 2.81Å
538	H	86.3	Confident	86.5	Confident	59 Å²	59	45.5 Å²	45.5	27%	0.273	23%	0.233	S	C	.	.			trans	-74.7	131.5	179.8	-67.9	102.2	0	0	0	111.5	I533 C536 I559 C560	I533-H538 PolarHBondContact N-O 3.44Å; I533-H538 VanDerWaalsContact N-O 3.08Å; C536-H538 PolarHBondContact O-N 3.17Å; C536-H538 PolarHBondContact SG-ND1 3.25Å; C536-H538 VanDerWaalsContact SG-ND1 3.37Å; H538-I559 HydrophobicContact CB-CB 4.16Å; H538-I559 HydrophobicContact CB-CG1 4.08Å; H538-I559 VanDerWaalsContact CD2-CG2 3.49Å; H538-I559 WeakPolarHBondContact CD2-CG2 3.41Å; H538-C560 WeakPolarHBondContact CE1-CB 3.37Å; H538-C560 VanDerWaalsContact CE1-SG 3.57Å; H538-C560 PolarHBondContact ND1-SG 2.74Å; H538-C560 VanDerWaalsContact ND1-SG 3.38Å
539	M	88.1	Confident	86	Confident	91 Å²	91	40.5 Å²	40.5	45%	0.448	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	93.9	173.5	-62.5	-176	69.8	0	0	108.1	V529 T531 V532 T570	V529-M539 HydrophobicContact CG1-CB 3.76Å; V529-M539 WeakPolarHBondContact CG1-O 3.34Å; T531-M539 WeakPolarHBondContact O-CA 3.47Å; V532-M539 HydrophobicContact CB-CG 3.8Å; V532-M539 HydrophobicContact CG2-CG 3.83Å; M539-T570 HydrophobicContact CE-CG2 3.97Å; M539-T570 WeakPolarHBondContact CE-OG1 3.43Å
540	C	83.1	Confident	85.5	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	1.6	-179.7	59	0	0	0	0	113.4	T522 I559	T522-C540 HydrophobicContact CG2-CB 3.9Å; T522-C540 PolarHBondContact N-O 3.04Å; T522-C540 PolarHBondContact OG1-O 2.75Å; T522-C540 VanDerWaalsContact OG1-O 3.12Å; C540-I559 HydrophobicContact CB-CD1 3.84Å; C540-I559 HydrophobicContact CB-CG1 3.71Å
541	L	87.3	Confident	84.8	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149	-173.8	-58.5	179.6	0	0	0	110.8	I523 V529 D530 T531 I533 L549 P558	I523-L541 HydrophobicContact CB-CD2 4.21Å; I523-L541 HydrophobicContact CD1-CD1 4.43Å; I523-L541 HydrophobicContact CD1-CD2 3.29Å; I523-L541 HydrophobicContact CD1-CG 4.5Å; I523-L541 HydrophobicContact CG1-CD2 3.43Å; I523-L541 VanDerWaalsContact CG1-CD2 3.43Å; V529-L541 WeakPolarHBondContact CA-O 3.46Å; D530-L541 PolarHBondContact N-O 2.74Å; T531-L541 WeakPolarHBondContact CB-O 3.45Å; T531-L541 PolarHBondContact N-O 2.93Å; T531-L541 VanDerWaalsContact N-O 3.07Å; I533-L541 HydrophobicContact CD1-CD1 4.07Å; I533-L541 HydrophobicContact CG1-CD1 4.35Å; L541-L549 HydrophobicContact CD1-CD2 3.59Å; L541-P558 HydrophobicContact CD1-CG 4.49Å; L541-P558 HydrophobicContact CD2-CG 3.86Å; L541-P558 HydrophobicContact CG-CG 4.4Å
542	C	91.9	Very high	83.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.274	C	S	.	.			trans	-79.2	161.7	156.9	73.4	0	0	0	0	110.1	C521 Q527 E528 D530 D544 C545 G546	C521-C542 HydrophobicContact CB-CB 3.88Å; C521-C542 PolarHBondContact SG-N 2.91Å; Q527-C542 HydrophobicContact CB-CB 3.58Å; Q527-C542 PolarHBondContact OE1-SG 2.75Å; E528-C542 VanDerWaalsContact O-CB 3.31Å; E528-C542 WeakPolarHBondContact O-CB 3.28Å; D530-C542 VanDerWaalsContact OD1-C 3.28Å; D530-C542 VanDerWaalsContact OD1-CA 3.25Å; D530-C542 WeakPolarHBondContact OD1-CA 3.39Å; C542-D544 VanDerWaalsContact C-N 3.31Å; C542-D544 PolarHBondContact O-N 2.9Å; C542-C545 PolarHBondContact O-N 2.75Å; C542-C545 PolarHBondContact SG-N 2.94Å; C542-G546 PolarHBondContact O-N 2.66Å
543	N	90.2	Very high	81.8	Confident	24 Å²	24	63.2 Å²	63.2	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-37.6	-174.5	177	69.4	0	0	0	112.6	D530 T531 G546 Q547 K569	D530-N543 WeakPolarHBondContact OD1-CB 3.38Å; D530-N543 PolarHBondContact OD1-N 2.93Å; T531-N543 WeakPolarHBondContact OG1-CA 3.15Å; T531-N543 WeakPolarHBondContact OG1-CB 3.24Å; T531-N543 PolarHBondContact OG1-N 2.98Å; T531-N543 VanDerWaalsContact OG1-N 3.1Å; N543-G546 PolarHBondContact O-N 3.1Å; N543-Q547 PolarHBondContact ND2-NE2 2.86Å; N543-Q547 WeakPolarHBondContact O-CB 3.41Å; N543-Q547 VanDerWaalsContact O-CG 3.32Å; N543-Q547 WeakPolarHBondContact O-CG 3.46Å; N543-Q547 PolarHBondContact O-N 2.92Å; N543-Q547 PolarHBondContact OD1-NE2 3.47Å; N543-Q547 VanDerWaalsContact OD1-NE2 3.11Å; N543-K569 HydrophobicContact CB-CD 3.96Å; N543-K569 HydrophobicContact CB-CG 4.32Å
544	D	87	Confident	80.3	Confident	74 Å²	74	70.1 Å²	70.1	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-65.5	-42.6	177.7	-65.3	-19.5	0	0	0	111.5	Q527 C542 K548	Q527-D544 PolarHBondContact NE2-OD2 2.83Å; Q527-D544 PolarHBondContact OE1-OD2 2.81Å; C542-D544 VanDerWaalsContact C-N 3.31Å; C542-D544 PolarHBondContact O-N 2.9Å; D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 VanDerWaalsContact O-CG 3.23Å; D544-K548 WeakPolarHBondContact O-CG 3.32Å; D544-K548 PolarHBondContact O-N 2.72Å; D544-K548 VanDerWaalsContact O-N 3.12Å
545	C	82.8	Confident	79.6	Confident	14 Å²	14	62.9 Å²	62.9	10%	0.095	32%	0.316	C	S	.	.	H	α-helix	trans	-69.2	-40.9	175.6	-74.9	0	0	0	0	111.8	C521 I523 C542 K548 L549	C521-C545 VanDerWaalsContact SG-SG 3.64Å; I523-C545 HydrophobicContact CB-CB 4.06Å; I523-C545 HydrophobicContact CD1-CB 4.35Å; I523-C545 HydrophobicContact CG2-CB 4.19Å; C542-C545 PolarHBondContact O-N 2.75Å; C542-C545 PolarHBondContact SG-N 2.94Å; C545-K548 PolarHBondContact O-N 3.17Å; C545-L549 WeakPolarHBondContact O-CB 3.4Å; C545-L549 PolarHBondContact O-N 2.75Å
546	G	86.6	Confident	79.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-46.4	176.7	0	0	0	0	0	112.6	C542 N543 L549 K550	C542-G546 PolarHBondContact O-N 2.66Å; N543-G546 PolarHBondContact O-N 3.1Å; G546-L549 PolarHBondContact O-N 2.96Å; G546-K550 PolarHBondContact O-N 3.45Å
547	Q	85.9	Confident	79.3	Confident	80 Å²	80	62.9 Å²	62.9	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-68.7	-38.5	179.2	-71.3	-173.2	16.4	0	0	112.6	N543 L549 K550 R551	N543-Q547 PolarHBondContact ND2-NE2 2.86Å; N543-Q547 WeakPolarHBondContact O-CB 3.41Å; N543-Q547 VanDerWaalsContact O-CG 3.32Å; N543-Q547 WeakPolarHBondContact O-CG 3.46Å; N543-Q547 PolarHBondContact O-N 2.92Å; N543-Q547 PolarHBondContact OD1-NE2 3.47Å; N543-Q547 VanDerWaalsContact OD1-NE2 3.11Å; Q547-L549 VanDerWaalsContact C-N 3.34Å; Q547-K550 PolarHBondContact O-N 2.72Å; Q547-R551 WeakPolarHBondContact O-CG 3.33Å; Q547-R551 PolarHBondContact O-N 2.8Å
548	K	82.1	Confident	79	Confident	141 Å²	141	62.5 Å²	62.5	61%	0.613	31%	0.306	S	S	*	.	H	α-helix	trans	-62.9	-42.8	173	-75.1	172.4	-175.5	173.6	0	111.1	D544 C545 R551	D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 VanDerWaalsContact O-CG 3.23Å; D544-K548 WeakPolarHBondContact O-CG 3.32Å; D544-K548 PolarHBondContact O-N 2.72Å; D544-K548 VanDerWaalsContact O-N 3.12Å; C545-K548 PolarHBondContact O-N 3.17Å; K548-R551 PolarHBondContact O-N 2.96Å
549	L	78.9	Confident	78.2	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-43.2	178.6	-167.8	64.8	0	0	0	111.2	I523 L541 C545 G546 Q547 R551 Q552 A555 I564	I523-L549 HydrophobicContact CD1-CD1 4.46Å; I523-L549 HydrophobicContact CD1-CD2 3.98Å; L541-L549 HydrophobicContact CD1-CD2 3.59Å; C545-L549 WeakPolarHBondContact O-CB 3.4Å; C545-L549 PolarHBondContact O-N 2.75Å; G546-L549 PolarHBondContact O-N 2.96Å; Q547-L549 VanDerWaalsContact C-N 3.34Å; L549-R551 PolarHBondContact O-N 3.02Å; L549-Q552 WeakPolarHBondContact O-CB 3.21Å; L549-Q552 PolarHBondContact O-N 3.46Å; L549-Q552 VanDerWaalsContact O-N 3.09Å; L549-A555 HydrophobicContact CG-CB 4.25Å; L549-A555 WeakPolarHBondContact O-CB 3.44Å; L549-I564 HydrophobicContact CD2-CD1 3.32Å; L549-I564 HydrophobicContact CG-CD1 3.85Å
550	K	77.9	Confident	76.8	Confident	90 Å²	90	61.3 Å²	61.3	39%	0.391	31%	0.305	S	S	.	.	H	α-helix	trans	-57.4	-32.3	176.4	-176.8	-177.1	176.6	-178.8	0	113.5	G546 Q547 Q552 D566 V567	G546-K550 PolarHBondContact O-N 3.45Å; Q547-K550 PolarHBondContact O-N 2.72Å; K550-Q552 VanDerWaalsContact C-N 3.27Å; K550-Q552 PolarHBondContact O-N 2.73Å; K550-D566 WeakPolarHBondContact CD-OD1 3.44Å; K550-D566 VanDerWaalsContact CE-OD1 3.22Å; K550-D566 WeakPolarHBondContact CE-OD1 3.33Å; K550-D566 IonicContact NZ-OD1 3.45Å; K550-D566 PolarHBondContact NZ-OD1 2.97Å; K550-D566 IonicContact NZ-OD2 2.86Å; K550-D566 PolarHBondContact NZ-OD2 3.4Å; K550-V567 HydrophobicContact CB-CG2 4.14Å; K550-V567 HydrophobicContact CD-CG2 4.14Å
551	R	76.4	Confident	75.9	Confident	198 Å²	198	65.8 Å²	65.8	75%	0.747	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-6.4	-179.2	-67.2	177.8	-167.2	160.6	6.8	113.7	Q547 K548 L549	Q547-R551 WeakPolarHBondContact O-CG 3.33Å; Q547-R551 PolarHBondContact O-N 2.8Å; K548-R551 PolarHBondContact O-N 2.96Å; L549-R551 PolarHBondContact O-N 3.02Å
552	Q	68.5	Low	74.8	Confident	100 Å²	100	71.9 Å²	71.9	47%	0.467	34%	0.344	S	S	.	.	S	Bend	trans	-86.7	142.1	179.4	-65	177.7	-14.7	0	0	111.5	L549 K550 N554 A555	L549-Q552 WeakPolarHBondContact O-CB 3.21Å; L549-Q552 PolarHBondContact O-N 3.46Å; L549-Q552 VanDerWaalsContact O-N 3.09Å; K550-Q552 VanDerWaalsContact C-N 3.27Å; K550-Q552 PolarHBondContact O-N 2.73Å; Q552-N554 PolarHBondContact O-N 3.49Å; Q552-A555 PolarHBondContact O-N 3.39Å
553	I	50.2	Low	74.1	Confident	160 Å²	160	76.1 Å²	76.1	82%	0.821	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	127.2	173	-62	165.3	0	0	0	107.7
554	N	56.7	Low	73.6	Confident	146 Å²	146	75.8 Å²	75.8	78%	0.781	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	34	-177.3	-55	-24.9	0	0	0	115.6	Q552 C556	Q552-N554 PolarHBondContact O-N 3.49Å; N554-C556 PolarHBondContact O-N 3.29Å
555	A	69.8	Low	73.3	Confident	9 Å²	9	80.3 Å²	80.3	7%	0.074	39%	0.385	C	S	.	.			trans	-57.9	130.3	173.3	0	0	0	0	0	112.5	L549 Q552 P563 I564	L549-A555 HydrophobicContact CG-CB 4.25Å; L549-A555 WeakPolarHBondContact O-CB 3.44Å; Q552-A555 PolarHBondContact O-N 3.39Å; A555-P563 CarbonylContact O-C 3.53Å; A555-P563 WeakPolarHBondContact O-CA 3.47Å; A555-I564 HydrophobicContact CB-CB 4.12Å; A555-I564 PolarHBondContact O-N 3.25Å
556	C	79.5	Confident	73.4	Confident	55 Å²	55	82.4 Å²	82.4	37%	0.372	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-128.2	149.7	-178.4	-73.5	0	0	0	0	111.6	N554 R561 R562 I564	N554-C556 PolarHBondContact O-N 3.29Å; C556-R561 PolarHBondContact SG-O 3.46Å; C556-R562 WeakPolarHBondContact CA-O 3.32Å; C556-I564 WeakPolarHBondContact O-CD1 3.03Å
557	C	75.8	Confident	73.5	Confident	2 Å²	2	83.2 Å²	83.2	1%	0.014	40%	0.401	C	S	.	.			trans	-60.7	130.4	177.4	173.5	0	0	0	0	111.7	I533 C536 I559 C560 R561 R562	I533-C557 HydrophobicContact CD1-CB 3.76Å; I533-C557 VanDerWaalsContact CD1-SG 3.53Å; I533-C557 HydrophobicContact CG2-CB 4.45Å; C536-C557 VanDerWaalsContact SG-CB 3.58Å; C536-C557 PolarHBondContact SG-SG 3.41Å; C557-I559 PolarHBondContact O-N 2.97Å; C557-I559 PolarHBondContact SG-N 3.16Å; C557-I559 VanDerWaalsContact SG-N 3.37Å; C557-C560 PolarHBondContact SG-N 2.85Å; C557-R561 WeakPolarHBondContact O-CA 3.36Å; C557-R561 PolarHBondContact O-N 3.16Å; C557-R562 PolarHBondContact N-O 2.65Å
558	P	73	Confident	73.7	Confident	42 Å²	42	83.2 Å²	83.2	27%	0.273	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	178.1	-23.1	31.3	0	0	0	114.7	L541	L541-P558 HydrophobicContact CD1-CG 4.49Å; L541-P558 HydrophobicContact CD2-CG 3.86Å; L541-P558 HydrophobicContact CG-CG 4.4Å
559	I	69.8	Low	74.1	Confident	88 Å²	88	80.1 Å²	80.1	45%	0.451	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-49.3	-177.6	-52.6	-58.4	0	0	0	111.3	H538 C540 C557	H538-I559 HydrophobicContact CB-CB 4.16Å; H538-I559 HydrophobicContact CB-CG1 4.08Å; H538-I559 VanDerWaalsContact CD2-CG2 3.49Å; H538-I559 WeakPolarHBondContact CD2-CG2 3.41Å; C540-I559 HydrophobicContact CB-CD1 3.84Å; C540-I559 HydrophobicContact CB-CG1 3.71Å; C557-I559 PolarHBondContact O-N 2.97Å; C557-I559 PolarHBondContact SG-N 3.16Å; C557-I559 VanDerWaalsContact SG-N 3.37Å
560	C	60.2	Low	74.5	Confident	38 Å²	38	81.2 Å²	81.2	26%	0.257	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	3.4	-169.7	79.5	0	0	0	0	115.1	C536 H538 C557 R562	C536-C560 WeakPolarHBondContact CB-SG 3.45Å; H538-C560 WeakPolarHBondContact CE1-CB 3.37Å; H538-C560 VanDerWaalsContact CE1-SG 3.57Å; H538-C560 PolarHBondContact ND1-SG 2.74Å; H538-C560 VanDerWaalsContact ND1-SG 3.38Å; C557-C560 PolarHBondContact SG-N 2.85Å; C560-R562 PolarHBondContact O-N 2.97Å
561	R	64.3	Low	74.7	Confident	99 Å²	99	86 Å²	86	37%	0.374	41%	0.413	S	S	.	.			trans	57.2	12.3	175.8	-55.7	-165.7	-174.3	117.9	35.7	117.8	Q227 C556 C557	Q227-R561 VanDerWaalsContact N-CZ 3.26Å; Q227-R561 PolarHBondContact O-NH1 2.74Å; Q227-R561 PolarHBondContact O-NH2 3.46Å; Q227-R561 VanDerWaalsContact OE1-NH2 3.08Å; C556-R561 PolarHBondContact SG-O 3.46Å; C557-R561 WeakPolarHBondContact O-CA 3.36Å; C557-R561 PolarHBondContact O-N 3.16Å
562	R	64.3	Low	74.5	Confident	129 Å²	129	84.2 Å²	84.2	49%	0.487	41%	0.407	S	S	.	.			trans	-63.4	139.2	169.9	-73.6	-178.1	-144.8	135.9	9.8	109.3	C536 C556 C557 C560 I564	C536-R562 VanDerWaalsContact CA-NH1 3.33Å; C536-R562 HydrophobicContact CB-CB 4.24Å; C536-R562 VanDerWaalsContact CB-NH1 3.28Å; C556-R562 WeakPolarHBondContact CA-O 3.32Å; C557-R562 PolarHBondContact N-O 2.65Å; C560-R562 PolarHBondContact O-N 2.97Å; R562-I564 PolarHBondContact O-N 3.43Å
563	P	75.9	Confident	73.4	Confident	89 Å²	89	89 Å²	89	58%	0.578	45%	0.447	S	S	*	.	B	Isolated β-bridge	trans	-54.4	132.3	174.7	-24.6	32.9	0	0	0	110.5	T535 A555 K565	T535-P563 WeakPolarHBondContact CB-O 3.34Å; T535-P563 WeakPolarHBondContact CG2-O 3.32Å; T535-P563 PolarHBondContact OG1-O 2.88Å; A555-P563 CarbonylContact O-C 3.53Å; A555-P563 WeakPolarHBondContact O-CA 3.47Å; P563-K565 PolarHBondContact O-N 2.97Å
564	I	79.8	Confident	74.6	Confident	17 Å²	17	85.5 Å²	85.5	9%	0.087	43%	0.428	C	S	.	.			trans	-83.6	105.6	178.4	-60.3	-178.3	0	0	0	107.1	I533 L549 A555 C556 R562 V567	I533-I564 HydrophobicContact CD1-CD1 4Å; I533-I564 HydrophobicContact CG1-CD1 4.26Å; I533-I564 HydrophobicContact CG2-CB 4.42Å; I533-I564 HydrophobicContact CG2-CD1 4.36Å; I533-I564 HydrophobicContact CG2-CG1 3.81Å; I533-I564 HydrophobicContact CG2-CG2 4.27Å; L549-I564 HydrophobicContact CD2-CD1 3.32Å; L549-I564 HydrophobicContact CG-CD1 3.85Å; A555-I564 HydrophobicContact CB-CB 4.12Å; A555-I564 PolarHBondContact O-N 3.25Å; C556-I564 WeakPolarHBondContact O-CD1 3.03Å; R562-I564 PolarHBondContact O-N 3.43Å; I564-V567 HydrophobicContact CG2-CG1 3.74Å
565	K	81.8	Confident	75.5	Confident	168 Å²	168	82.3 Å²	82.3	73%	0.73	41%	0.409	S	S	*	.	S	Bend	trans	-80.1	-39.3	168.5	-67.1	179.6	179.7	-175.7	0	111	T535 P563	T535-K565 HydrophobicContact CG2-CB 3.61Å; T535-K565 HydrophobicContact CG2-CD 3.9Å; T535-K565 HydrophobicContact CG2-CG 3.66Å; P563-K565 PolarHBondContact O-N 2.97Å
566	D	83.4	Confident	75.8	Confident	59 Å²	59	86.3 Å²	86.3	32%	0.316	43%	0.428	S	S	.	.			trans	-153.5	160.4	179.2	-143.4	-28.2	0	0	0	112.3	Y534 K550	Y534-D566 WeakPolarHBondContact CB-O 3.28Å; Y534-D566 PolarHBondContact N-O 2.85Å; K550-D566 WeakPolarHBondContact CD-OD1 3.44Å; K550-D566 VanDerWaalsContact CE-OD1 3.22Å; K550-D566 WeakPolarHBondContact CE-OD1 3.33Å; K550-D566 IonicContact NZ-OD1 3.45Å; K550-D566 PolarHBondContact NZ-OD1 2.97Å; K550-D566 IonicContact NZ-OD2 2.86Å; K550-D566 PolarHBondContact NZ-OD2 3.4Å
567	V	89	Confident	75.6	Confident	16 Å²	16	88.2 Å²	88.2	10%	0.097	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.8	173.6	-68.1	0	0	0	0	109.1	T531 V532 I533 K550 I564	T531-V567 HydrophobicContact CG2-CB 3.74Å; T531-V567 HydrophobicContact CG2-CG1 4.35Å; T531-V567 HydrophobicContact CG2-CG2 4.47Å; V532-V567 WeakPolarHBondContact O-CA 3.37Å; I533-V567 HydrophobicContact CG1-CG1 4.24Å; K550-V567 HydrophobicContact CB-CG2 4.14Å; K550-V567 HydrophobicContact CD-CG2 4.14Å; I564-V567 HydrophobicContact CG2-CG1 3.74Å
568	I	90.4	Very high	75.6	Confident	81 Å²	81	93.6 Å²	93.6	42%	0.415	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.4	-177.6	-57.7	173.8	0	0	0	108	T531 V532 Y534 T570	T531-I568 WeakPolarHBondContact CA-O 3.44Å; V532-I568 HydrophobicContact CG1-CB 3.85Å; V532-I568 WeakPolarHBondContact CG1-O 3.35Å; V532-I568 PolarHBondContact N-O 3.43Å; V532-I568 PolarHBondContact O-N 3.44Å; Y534-I568 HydrophobicContact CD2-CD1 3.74Å; Y534-I568 HydrophobicContact CG-CD1 4.45Å; I568-T570 PolarHBondContact O-N 3.15Å
569	K	90.7	Very high	75.8	Confident	76 Å²	76	97 Å²	97	33%	0.33	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.6	172.2	-175.6	170.9	177.3	139.1	0	109.3	D530 N543 Y571	D530-K569 WeakPolarHBondContact OD2-CE 3.37Å; D530-K569 IonicContact OD2-NZ 3.51Å; D530-K569 PolarHBondContact OD2-NZ 3.14Å; N543-K569 HydrophobicContact CB-CD 3.96Å; N543-K569 HydrophobicContact CB-CG 4.32Å; K569-Y571 HydrophobicContact CD-CE1 4.39Å; K569-Y571 HydrophobicContact CG-CE2 4.32Å
570	T	86.3	Confident	76.2	Confident	43 Å²	43	97.6 Å²	97.6	26%	0.264	47%	0.471	S	S	.	.			trans	-101.1	139.7	175.4	58.6	0	0	0	0	109.6	D530 V532 M539 I568	D530-T570 PolarHBondContact O-N 3.06Å; D530-T570 PolarHBondContact O-OG1 3.23Å; V532-T570 HydrophobicContact CB-CG2 4.07Å; V532-T570 HydrophobicContact CG1-CG2 3.78Å; M539-T570 HydrophobicContact CE-CG2 3.97Å; M539-T570 WeakPolarHBondContact CE-OG1 3.43Å; I568-T570 PolarHBondContact O-N 3.15Å
571	Y	83.1	Confident	77.4	Confident	190 Å²	190	102.2 Å²	102.2	75%	0.745	49%	0.487	S	S	*	.			trans	-106.8	122.9	172.6	-62.4	-91.1	0	0	0	107.3	K569	K569-Y571 HydrophobicContact CD-CE1 4.39Å; K569-Y571 HydrophobicContact CG-CE2 4.32Å
572	R	71.3	Confident	78.5	Confident	161 Å²	161	102.5 Å²	102.5	61%	0.608	50%	0.497	S	S	*	.			trans	-72.8	129.2	168.4	-68.9	-175.1	-173.3	130.1	4.7	107.3	E528 V529	E528-R572 IonicContact OE2-NH1 2.99Å; E528-R572 PolarHBondContact OE2-NH1 3.45Å; V529-R572 PolarHBondContact O-NH2 3.36Å
573	P	46.4	Very low	79.8	Confident	201 Å²	201	100.1 Å²	100.1	100%	1.305	50%	0.498	S	S	*	.			trans	-66.9	0	177.8	27.4	-32.8	0	0	0	112.7

Retrieved 573 of 573 residues in 406.2 ms (Link to these results)

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