A0A5K4FDN2_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A5K4FDN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 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	36.9	Very low	33	Very low	247 Å²	247	151.5 Å²	151.5	100%	1.217	83%	0.833	S	S	*	*				0	95.1	0	-68.5	175.7	179	0	0	105.2
2	S	41.6	Very low	32.8	Very low	112 Å²	112	146.8 Å²	146.8	78%	0.783	82%	0.819	S	S	*	*			cis	-160.3	120.3	39	32.5	0	0	0	0	110.6
3	E	35.2	Very low	33	Very low	182 Å²	182	144 Å²	144	85%	0.85	81%	0.808	S	S	*	*			trans	23.5	109.4	137.1	-79.6	177.5	151.8	0	0	119
4	V	30.5	Very low	32.8	Very low	132 Å²	132	144.4 Å²	144.4	80%	0.8	81%	0.807	S	S	*	*				70.5	112.8	84.6	177.5	0	0	0	0	112.9
5	V	36.8	Very low	32.9	Very low	136 Å²	136	145.4 Å²	145.4	82%	0.824	81%	0.81	S	S	*	*				-154	124.5	116.2	179.2	0	0	0	0	108.4
6	E	28.8	Very low	33	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	80%	0.8	S	S	*	*			trans	-102.1	136.7	178.4	-171.5	174.3	-149.3	0	0	108.2	T8	E6-T8 HydrophobicContact CG-CG2 4.16Å
7	I	31.4	Very low	32.7	Very low	152 Å²	152	139.5 Å²	139.5	78%	0.779	79%	0.793	S	S	*	*			trans	-129.9	96.2	162.5	-59.1	177.8	0	0	0	106.7
8	T	28.5	Very low	32.8	Very low	105 Å²	105	140.3 Å²	140.3	64%	0.644	80%	0.795	S	S	*	*			trans	-102.2	120.9	165.9	45.9	0	0	0	0	108.2	E6	E6-T8 HydrophobicContact CG-CG2 4.16Å
9	L	30.6	Very low	32.8	Very low	172 Å²	172	141.8 Å²	141.8	90%	0.901	80%	0.795	S	S	*	*			trans	-114.4	107.8	162.9	-85.6	161.6	0	0	0	107.2
10	S	28.9	Very low	32.5	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	80%	0.796	S	S	*	*			trans	-135.8	116	163.7	56.4	0	0	0	0	106.8
11	D	34.1	Very low	32.5	Very low	165 Å²	165	145 Å²	145	88%	0.882	80%	0.802	S	S	*	*			trans	-128	115	157.9	-115	-12.2	0	0	0	107.5
12	S	30.5	Very low	32	Very low	95 Å²	95	141.9 Å²	141.9	66%	0.664	79%	0.785	S	S	*	*			trans	-62.3	156.3	159.1	48.9	0	0	0	0	109.9
13	T	35.1	Very low	31.6	Very low	110 Å²	110	142.4 Å²	142.4	68%	0.675	79%	0.789	S	S	*	*				-175	146.3	59.7	35.9	0	0	0	0	109.8
14	D	29.8	Very low	31.2	Very low	149 Å²	149	143 Å²	143	80%	0.797	79%	0.791	S	S	*	*			trans	43.3	122.5	135.3	-53.5	-23.1	0	0	0	121.6
15	D	34.8	Very low	31.3	Very low	160 Å²	160	142.4 Å²	142.4	86%	0.856	79%	0.794	S	S	*	*				-161.8	162.5	101.8	-139.9	-10.7	0	0	0	112.8
16	S	34.3	Very low	30.9	Very low	93 Å²	93	144.9 Å²	144.9	65%	0.65	80%	0.796	S	S	*	*			trans	-67.5	161.9	-154.4	57.2	0	0	0	0	121.5
17	S	28.5	Very low	31	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	80%	0.803	S	S	*	*			trans	-23.5	145	157.5	50.7	0	0	0	0	120
18	D	34	Very low	30.8	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	80%	0.799	S	S	*	*				-159.1	127.9	127.3	-90.5	-23.1	0	0	0	112.8
19	E	33.6	Very low	31	Very low	168 Å²	168	143.9 Å²	143.9	79%	0.785	81%	0.808	S	S	*	*			trans	13.2	120.8	148.6	-58.1	-173.9	164.9	0	0	120.3
20	Q	26.6	Very low	30.8	Very low	177 Å²	177	144.3 Å²	144.3	83%	0.827	81%	0.805	S	S	*	*				60.6	110.9	103	-70.4	-176.2	4	0	0	115.6
21	D	32.1	Very low	30.9	Very low	173 Å²	173	149.2 Å²	149.2	93%	0.925	81%	0.813	S	S	*	*			trans	-152.2	127.3	136.4	-111.4	-20.1	0	0	0	110.9
22	E	26.5	Very low	30.6	Very low	182 Å²	182	150.6 Å²	150.6	85%	0.85	81%	0.811	S	S	*	*			trans	-79.9	144.1	179.5	-62.5	174.3	150.8	0	0	110.5
23	S	33.9	Very low	30.5	Very low	124 Å²	124	154.1 Å²	154.1	87%	0.867	82%	0.822	S	S	*	*			trans	-160.1	108.7	137.7	42	0	0	0	0	110.6
24	E	25.8	Very low	30.4	Very low	193 Å²	193	156.4 Å²	156.4	90%	0.902	83%	0.83	S	S	*	*			trans	-72.2	142.2	166.9	-59.8	179.8	141.2	0	0	110.3
25	S	33.3	Very low	30.3	Very low	121 Å²	121	157.1 Å²	157.1	85%	0.846	83%	0.826	S	S	*	*			trans	-154.9	114.5	140	68	0	0	0	0	110.4
26	E	28	Very low	30.3	Very low	187 Å²	187	154.3 Å²	154.3	87%	0.874	83%	0.825	S	S	*	*			trans	-60.9	142.8	169.5	-60.7	172	126.1	0	0	112.2
27	F	30.3	Very low	30	Very low	200 Å²	200	158.6 Å²	158.6	88%	0.877	83%	0.832	S	S	*	*			trans	-154.1	131.1	131.1	-166.8	-108.4	0	0	0	111.3
28	T	27.4	Very low	30.2	Very low	114 Å²	114	162.7 Å²	162.7	70%	0.699	84%	0.84	S	S	*	*			trans	-87.4	145.8	-176.7	40.5	0	0	0	0	111.2
29	G	32.1	Very low	30	Very low	80 Å²	80	163.2 Å²	163.2	83%	0.825	84%	0.843	S	S	*	*			trans	-177.4	92.7	175.5	0	0	0	0	0	113.3
30	Q	26.6	Very low	30.2	Very low	180 Å²	180	161.9 Å²	161.9	84%	0.841	84%	0.84	S	S	*	*			trans	-89.9	122	-169.1	-158.6	148.5	17	0	0	111.6
31	F	31.2	Very low	30.3	Very low	211 Å²	211	162.6 Å²	162.6	93%	0.925	84%	0.843	S	S	*	*			trans	-139.8	126.6	157.8	-87.4	-78.6	0	0	0	111.6
32	K	27.3	Very low	30.1	Very low	194 Å²	194	158.9 Å²	158.9	84%	0.843	83%	0.83	S	S	*	*			trans	-69	131.8	-178.5	-69.3	174.1	174.3	177.8	0	110.3
33	L	28.6	Very low	30.2	Very low	169 Å²	169	156.7 Å²	156.7	89%	0.885	82%	0.824	S	S	*	*			trans	-114.4	110.1	167.1	-146.5	95.3	0	0	0	108.8	K35	L33-K35 PolarHBondContact O-N 3.21Å
34	D	33.2	Very low	30.1	Very low	158 Å²	158	155.5 Å²	155.5	85%	0.845	81%	0.808	S	S	*	*			trans	-72.3	124.4	171.8	-77.8	-37.3	0	0	0	110
35	K	28.6	Very low	30.5	Very low	163 Å²	163	150.2 Å²	150.2	71%	0.709	79%	0.786	S	S	*	*			trans	-74.6	122.6	174.8	-98.8	168.7	175.5	158.5	0	109.8	L33	L33-K35 PolarHBondContact O-N 3.21Å
36	A	34.8	Very low	30.8	Very low	102 Å²	102	146.5 Å²	146.5	84%	0.843	76%	0.76	S	S	*	*			trans	-123	104.9	149.9	0	0	0	0	0	108.6
37	K	27.7	Very low	31.3	Very low	183 Å²	183	146.4 Å²	146.4	80%	0.796	76%	0.757	S	S	*	*			trans	-86.4	115.8	166.3	-82.8	179.9	171.5	-177.8	0	107.4
38	E	33.4	Very low	32.2	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	72%	0.722	S	S	*	*			trans	-129.6	123.7	152.3	-78.8	-169.3	158.4	0	0	109.5	I40	E38-I40 PolarHBondContact O-N 2.95Å
39	N	29.2	Very low	33.2	Very low	166 Å²	166	139.9 Å²	139.9	89%	0.888	72%	0.722	S	S	*	*			trans	-69.7	117.9	175.8	-73.6	-33	0	0	0	109.4
40	I	38.3	Very low	34.1	Very low	141 Å²	141	143 Å²	143	72%	0.723	72%	0.72	S	S	*	*			trans	-137.3	118.3	160.4	-59.4	-178.7	0	0	0	108.1	E38 C42	E38-I40 PolarHBondContact O-N 2.95Å; I40-C42 PolarHBondContact O-N 2.98Å
41	E	27.3	Very low	35.8	Very low	192 Å²	192	136.5 Å²	136.5	90%	0.897	69%	0.693	S	S	*	*			trans	-57	121	-176	-66.2	172.2	154	0	0	111.7	N43	E41-N43 PolarHBondContact O-N 3.39Å
42	C	28.8	Very low	37.9	Very low	94 Å²	94	130.3 Å²	130.3	64%	0.635	67%	0.666	S	S	*	*			trans	-84.3	103	174.9	50.2	0	0	0	0	110.4	I40 N44	I40-C42 PolarHBondContact O-N 2.98Å; C42-N44 PolarHBondContact O-N 2.94Å
43	N	29.5	Very low	40.8	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	63%	0.634	S	S	*	*			trans	-74.1	100.3	162.8	-104.5	-10.6	0	0	0	109	E41 D45	E41-N43 PolarHBondContact O-N 3.39Å; N43-D45 PolarHBondContact O-N 2.72Å
44	N	30.9	Very low	43.6	Very low	100 Å²	100	114.2 Å²	114.2	54%	0.535	59%	0.591	S	S	.	*			trans	-68.4	106	168.8	-95.6	-11	0	0	0	109.7	C42	C42-N44 PolarHBondContact O-N 2.94Å
45	D	34	Very low	46.2	Very low	82 Å²	82	109.1 Å²	109.1	44%	0.439	57%	0.567	S	S	.	*			trans	-148.2	26.8	179.8	-106	12	0	0	0	114.3	N43 K117	N43-D45 PolarHBondContact O-N 2.72Å; D45-K117 WeakPolarHBondContact OD1-CE 3.48Å; D45-K117 IonicContact OD1-NZ 3.46Å; D45-K117 PolarHBondContact OD1-NZ 3.42Å; D45-K117 IonicContact OD2-NZ 3.99Å; D45-K117 PolarHBondContact OD2-NZ 3.11Å
46	S	38.7	Very low	49.1	Very low	43 Å²	43	103.8 Å²	103.8	30%	0.301	55%	0.546	S	S	.	.	S	Bend	trans	-115.1	25.7	-175	76.4	0	0	0	0	117.1	N217	S46-N217 WeakPolarHBondContact CB-ND2 3.28Å
47	F	39.4	Very low	51.7	Low	184 Å²	184	101 Å²	101	81%	0.807	52%	0.52	S	S	*	.	S	Bend	trans	-125	14.1	175.6	-74.3	-78.6	0	0	0	114.5
48	D	49.3	Very low	54.6	Low	27 Å²	27	99.7 Å²	99.7	14%	0.144	51%	0.514	C	S	.	.			trans	-109.3	19.5	-160.5	-86.8	-36.7	0	0	0	117.4	D50 T51 K117	D48-D50 VanDerWaalsContact C-N 3.3Å; D48-D50 PolarHBondContact O-N 3.49Å; D48-T51 PolarHBondContact O-N 2.98Å; D48-T51 VanDerWaalsContact O-N 3.13Å; D48-T51 WeakPolarHBondContact OD1-CB 3.41Å; D48-T51 PolarHBondContact OD1-OG1 3.29Å; D48-K117 WeakPolarHBondContact OD2-CE 3.34Å; D48-K117 IonicContact OD2-NZ 3.91Å
49	E	47.6	Very low	57.1	Low	151 Å²	151	97 Å²	97	71%	0.706	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-31	179.7	-120.8	176.3	-170.6	0	0	112.9	T51 T53	E49-T51 VanDerWaalsContact C-N 3.3Å; E49-T51 PolarHBondContact O-N 3.39Å; E49-T53 PolarHBondContact O-OG1 2.94Å
50	D	52.1	Low	59.8	Low	145 Å²	145	94.5 Å²	94.5	78%	0.775	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.6	174.7	-69.8	-23.2	0	0	0	112.9	D48	D48-D50 VanDerWaalsContact C-N 3.3Å; D48-D50 PolarHBondContact O-N 3.49Å
51	T	61.7	Low	62	Low	44 Å²	44	90.3 Å²	90.3	27%	0.27	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-27.3	-176.5	-48.8	0	0	0	0	111.6	D48 E49 W61 V118	D48-T51 PolarHBondContact O-N 2.98Å; D48-T51 VanDerWaalsContact O-N 3.13Å; D48-T51 WeakPolarHBondContact OD1-CB 3.41Å; D48-T51 PolarHBondContact OD1-OG1 3.29Å; E49-T51 VanDerWaalsContact C-N 3.3Å; E49-T51 PolarHBondContact O-N 3.39Å; T51-W61 PolarHBondContact O-NE1 3.46Å; T51-V118 HydrophobicContact CG2-CB 3.86Å; T51-V118 HydrophobicContact CG2-CG2 4.27Å
52	E	76.6	Confident	64.8	Low	81 Å²	81	83.9 Å²	83.9	38%	0.379	44%	0.437	S	S	.	.	S	Bend	trans	-96.1	5	-177.8	-63.3	-170.1	179	0	0	114.3	L60 W61	E52-L60 HydrophobicContact CB-CD2 3.96Å; E52-L60 WeakPolarHBondContact O-CA 3.49Å; E52-W61 VanDerWaalsContact CA-NE1 3.34Å; E52-W61 PolarHBondContact O-N 3.24Å; E52-W61 VanDerWaalsContact O-N 3.12Å; E52-W61 PolarHBondContact O-NE1 3.34Å
53	T	86.4	Confident	67.3	Low	25 Å²	25	83.6 Å²	83.6	15%	0.153	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-123.3	149.6	-176.2	60.2	0	0	0	0	114.1	E49 E59 L60 W61	E49-T53 PolarHBondContact O-OG1 2.94Å; T53-E59 CarbonylContact C-O 3.28Å; T53-E59 WeakPolarHBondContact CA-O 3.43Å; T53-L60 HydrophobicContact CG2-CD2 4.39Å; T53-L60 HydrophobicContact CG2-CG 4.42Å; T53-W61 VanDerWaalsContact C-CE2 3.48Å; T53-W61 VanDerWaalsContact C-CZ2 3.48Å; T53-W61 WeakPolarHBondContact O-CH2 3.45Å; T53-W61 WeakPolarHBondContact O-CZ2 3.41Å
54	C	88.6	Confident	70	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	43%	0.429	C	S	.	.			trans	-72.2	123.1	178.2	169.7	0	0	0	0	111.9	I56 C57 F58 E59 W61 H67 G79	C54-I56 PolarHBondContact O-N 3.16Å; C54-C57 PolarHBondContact O-N 3.3Å; C54-F58 VanDerWaalsContact O-CA 3.29Å; C54-F58 WeakPolarHBondContact O-CA 3.43Å; C54-F58 PolarHBondContact O-N 3.17Å; C54-E59 PolarHBondContact N-O 2.93Å; C54-W61 VanDerWaalsContact CA-CH2 3.49Å; C54-W61 HydrophobicContact CB-CE3 3.77Å; C54-W61 HydrophobicContact CB-CH2 4.21Å; C54-W61 HydrophobicContact CB-CZ3 3.54Å; C54-H67 WeakPolarHBondContact CB-NE2 3.41Å; C54-G79 PolarHBondContact SG-N 3.24Å
55	P	88.3	Confident	72.8	Confident	51 Å²	51	78.3 Å²	78.3	33%	0.331	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.3	-175.3	26.2	-33.4	0	0	0	114.6	L77 F78	P55-L77 WeakPolarHBondContact CG-O 3.4Å; P55-F78 HydrophobicContact CG-CD1 3.81Å; P55-F78 HydrophobicContact CG-CE1 3.87Å
56	I	88.7	Confident	75.6	Confident	51 Å²	51	79.1 Å²	79.1	26%	0.262	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-35.9	174.6	-62.5	168.5	0	0	0	111.8	C54 F78 C82 V83 P97	C54-I56 PolarHBondContact O-N 3.16Å; I56-F78 HydrophobicContact CD1-CB 4.06Å; I56-F78 HydrophobicContact CD1-CD1 3.58Å; I56-F78 HydrophobicContact CD1-CE1 4.38Å; I56-F78 HydrophobicContact CD1-CG 4.02Å; I56-F78 HydrophobicContact CG1-CD1 3.76Å; I56-F78 HydrophobicContact CG1-CE1 4.33Å; I56-C82 HydrophobicContact CB-CB 3.86Å; I56-C82 HydrophobicContact CD1-CB 3.8Å; I56-C82 HydrophobicContact CG1-CB 4.43Å; I56-C82 HydrophobicContact CG2-CB 3.81Å; I56-V83 HydrophobicContact CD1-CG2 4.2Å; I56-P97 HydrophobicContact CD1-CG 4.1Å; I56-P97 HydrophobicContact CG1-CG 4.36Å
57	C	89.7	Confident	78.1	Confident	44 Å²	44	77.9 Å²	77.9	30%	0.297	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-6.6	-172.8	64.1	0	0	0	0	114.2	C54 E59 H67 C82	C54-C57 PolarHBondContact O-N 3.3Å; C57-E59 PolarHBondContact O-N 3.13Å; C57-H67 PolarHBondContact SG-CE1 3.28Å; C57-C82 VanDerWaalsContact SG-SG 3.61Å
58	F	88	Confident	80.6	Confident	155 Å²	155	71.4 Å²	71.4	68%	0.68	39%	0.394	S	S	*	.			trans	59.4	22.6	-178.9	-49.4	-79.4	0	0	0	114.2	C54	C54-F58 VanDerWaalsContact O-CA 3.29Å; C54-F58 WeakPolarHBondContact O-CA 3.43Å; C54-F58 PolarHBondContact O-N 3.17Å
59	E	85.7	Confident	82.7	Confident	124 Å²	124	70.5 Å²	70.5	58%	0.579	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-95.2	152	172.1	-65.5	-174.3	173.3	0	0	110.7	T53 C54 C57	T53-E59 CarbonylContact C-O 3.28Å; T53-E59 WeakPolarHBondContact CA-O 3.43Å; C54-E59 PolarHBondContact N-O 2.93Å; C57-E59 PolarHBondContact O-N 3.13Å
60	L	85.7	Confident	84.9	Confident	114 Å²	114	63.3 Å²	63.3	60%	0.597	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-56.8	140.2	176.9	-77.5	156.1	0	0	0	111.9	E52 T53	E52-L60 HydrophobicContact CB-CD2 3.96Å; E52-L60 WeakPolarHBondContact O-CA 3.49Å; T53-L60 HydrophobicContact CG2-CD2 4.39Å; T53-L60 HydrophobicContact CG2-CG 4.42Å
61	W	85.5	Confident	86.9	Confident	53 Å²	53	57.4 Å²	57.4	20%	0.201	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-62.2	143.3	172	-42.1	109	0	0	0	111	T51 E52 T53 C54 V69 L77 F78	T51-W61 PolarHBondContact O-NE1 3.46Å; E52-W61 VanDerWaalsContact CA-NE1 3.34Å; E52-W61 PolarHBondContact O-N 3.24Å; E52-W61 VanDerWaalsContact O-N 3.12Å; E52-W61 PolarHBondContact O-NE1 3.34Å; T53-W61 VanDerWaalsContact C-CE2 3.48Å; T53-W61 VanDerWaalsContact C-CZ2 3.48Å; T53-W61 WeakPolarHBondContact O-CH2 3.45Å; T53-W61 WeakPolarHBondContact O-CZ2 3.41Å; C54-W61 VanDerWaalsContact CA-CH2 3.49Å; C54-W61 HydrophobicContact CB-CE3 3.77Å; C54-W61 HydrophobicContact CB-CH2 4.21Å; C54-W61 HydrophobicContact CB-CZ3 3.54Å; W61-V69 HydrophobicContact CB-CB 4.33Å; W61-V69 HydrophobicContact CD2-CB 4.38Å; W61-V69 HydrophobicContact CD2-CG2 3.85Å; W61-V69 HydrophobicContact CE3-CB 4.16Å; W61-V69 HydrophobicContact CE3-CG2 3.63Å; W61-V69 HydrophobicContact CG-CB 4.49Å; W61-V69 HydrophobicContact CG-CG2 4.33Å; W61-V69 HydrophobicContact CH2-CG2 4.39Å; W61-V69 HydrophobicContact CZ3-CG2 3.92Å; W61-L77 HydrophobicContact CH2-CB 3.95Å; W61-L77 HydrophobicContact CZ2-CB 4.42Å; W61-F78 VanDerWaalsContact CZ3-C 3.41Å
62	T	85.3	Confident	88.6	Confident	57 Å²	57	55.5 Å²	55.5	35%	0.35	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-103.7	148.2	168.2	63	0	0	0	0	111.1	S64 H67 K68 V69	T62-S64 VanDerWaalsContact C-N 3.26Å; T62-S64 WeakPolarHBondContact CB-O 3.48Å; T62-S64 PolarHBondContact OG1-O 3.13Å; T62-H67 PolarHBondContact OG1-O 3.16Å; T62-K68 WeakPolarHBondContact O-CA 3.47Å; T62-K68 PolarHBondContact OG1-N 3.35Å; T62-V69 PolarHBondContact O-N 3.02Å
63	S	82.1	Confident	89.4	Confident	89 Å²	89	60.5 Å²	60.5	62%	0.622	33%	0.33	S	S	*	.	S	Bend	trans	-77.7	-16	172.6	58	0	0	0	0	112.7
64	S	85.3	Confident	89.9	Confident	84 Å²	84	61.6 Å²	61.6	59%	0.587	34%	0.338	S	S	*	.	S	Bend	trans	-147	172.8	-179.1	64.4	0	0	0	0	111.2	T62	T62-S64 VanDerWaalsContact C-N 3.26Å; T62-S64 WeakPolarHBondContact CB-O 3.48Å; T62-S64 PolarHBondContact OG1-O 3.13Å
65	G	89.8	Confident	90.1	Very high	41 Å²	41	64 Å²	64	42%	0.423	36%	0.362	S	S	.	.	S	Bend	trans	81.5	-164.8	178.7	0	0	0	0	0	114.9	K68	G65-K68 VanDerWaalsContact O-CD 3.28Å; G65-K68 WeakPolarHBondContact O-CD 3.36Å; G65-K68 WeakPolarHBondContact O-CG 3.41Å
66	P	92.4	Very high	90.3	Very high	98 Å²	98	64.3 Å²	64.3	64%	0.636	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-27.4	-171	28.2	-33.3	0	0	0	113.3	K68 S81	P66-K68 VanDerWaalsContact C-N 3.35Å; P66-S81 WeakPolarHBondContact O-CA 3.38Å; P66-S81 WeakPolarHBondContact O-CB 3.47Å; P66-S81 PolarHBondContact O-N 3.03Å; P66-S81 PolarHBondContact O-OG 3.15Å
67	H	92.2	Very high	90.5	Very high	17 Å²	17	64.3 Å²	64.3	8%	0.079	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	20.9	-179.3	-157.9	65.8	0	0	0	113.7	C54 C57 T62 S81 C82	C54-H67 WeakPolarHBondContact CB-NE2 3.41Å; C57-H67 PolarHBondContact SG-CE1 3.28Å; T62-H67 PolarHBondContact OG1-O 3.16Å; H67-S81 PolarHBondContact ND1-OG 3.15Å; H67-S81 VanDerWaalsContact ND1-OG 3.09Å; H67-C82 PolarHBondContact CE1-SG 3.35Å
68	K	92	Very high	90.7	Very high	49 Å²	49	62.3 Å²	62.3	21%	0.213	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-61.6	146.1	179.4	63.5	-168.2	170	-168.5	0	113.2	T62 G65 P66 Y80 V110	T62-K68 WeakPolarHBondContact O-CA 3.47Å; T62-K68 PolarHBondContact OG1-N 3.35Å; G65-K68 VanDerWaalsContact O-CD 3.28Å; G65-K68 WeakPolarHBondContact O-CD 3.36Å; G65-K68 WeakPolarHBondContact O-CG 3.41Å; P66-K68 VanDerWaalsContact C-N 3.35Å; K68-Y80 WeakPolarHBondContact O-CB 3.33Å; K68-Y80 PolarHBondContact O-N 3.48Å; K68-V110 HydrophobicContact CD-CG1 3.61Å; K68-V110 HydrophobicContact CG-CG1 3.93Å
69	V	92.6	Very high	91	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.1	-177.5	80.4	0	0	0	0	111.5	W61 T62 L77 L111	W61-V69 HydrophobicContact CB-CB 4.33Å; W61-V69 HydrophobicContact CD2-CB 4.38Å; W61-V69 HydrophobicContact CD2-CG2 3.85Å; W61-V69 HydrophobicContact CE3-CB 4.16Å; W61-V69 HydrophobicContact CE3-CG2 3.63Å; W61-V69 HydrophobicContact CG-CB 4.49Å; W61-V69 HydrophobicContact CG-CG2 4.33Å; W61-V69 HydrophobicContact CH2-CG2 4.39Å; W61-V69 HydrophobicContact CZ3-CG2 3.92Å; T62-V69 PolarHBondContact O-N 3.02Å; V69-L77 HydrophobicContact CG2-CB 4.45Å; V69-L77 HydrophobicContact CG2-CD2 3.86Å; V69-L111 HydrophobicContact CG1-CB 3.97Å; V69-L111 PolarHBondContact O-N 3.48Å
70	C	94.1	Very high	91.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.6	177.5	71.3	0	0	0	0	110.4	L77 F78 Y80 I108 R109 V110	C70-L77 CarbonylContact O-C 3.54Å; C70-L77 WeakPolarHBondContact O-CA 3.47Å; C70-F78 PolarHBondContact N-O 3.5Å; C70-F78 PolarHBondContact O-N 2.92Å; C70-F78 PolarHBondContact SG-O 3.47Å; C70-Y80 HydrophobicContact CB-CD2 4.48Å; C70-I108 HydrophobicContact CB-CG2 3.92Å; C70-R109 CarbonylContact C-O 3.57Å; C70-R109 WeakPolarHBondContact CA-O 3.37Å; C70-R109 VanDerWaalsContact CB-O 3.25Å; C70-R109 WeakPolarHBondContact CB-O 3.36Å; C70-V110 HydrophobicContact CB-CG2 4.45Å
71	C	94.9	Very high	91.9	Very high	21 Å²	21	48.5 Å²	48.5	14%	0.142	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153	173	66.6	0	0	0	0	111.6	H76 L77 R109 L111	C71-H76 VanDerWaalsContact CA-O 3.27Å; C71-H76 WeakPolarHBondContact CA-O 3.43Å; C71-L77 HydrophobicContact CB-CD2 4.34Å; C71-R109 PolarHBondContact N-O 2.89Å; C71-R109 PolarHBondContact O-N 3.32Å; C71-L111 HydrophobicContact CB-CD1 4.37Å
72	L	95.7	Very high	92.4	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	28%	0.276	C	S	.	.			trans	-89	169.6	166.6	-64.4	180	0	0	0	110.2	C74 G75 H76 F78 V83 F87 C96 A103 I108	L72-C74 PolarHBondContact O-N 3.09Å; L72-G75 PolarHBondContact O-N 2.87Å; L72-H76 PolarHBondContact N-O 3.43Å; L72-H76 VanDerWaalsContact N-O 3.09Å; L72-F78 HydrophobicContact CD1-CD2 4.08Å; L72-F78 HydrophobicContact CD1-CE2 3.64Å; L72-F78 HydrophobicContact CG-CD2 4.02Å; L72-F78 HydrophobicContact CG-CE2 3.94Å; L72-V83 HydrophobicContact CD1-CG2 4.41Å; L72-V83 HydrophobicContact CD2-CG2 4.34Å; L72-F87 HydrophobicContact CD1-CZ 4.31Å; L72-F87 HydrophobicContact CD2-CE2 4.19Å; L72-F87 HydrophobicContact CD2-CZ 3.71Å; L72-C96 HydrophobicContact CD1-CB 3.84Å; L72-A103 HydrophobicContact CD1-CB 3.95Å; L72-A103 HydrophobicContact CD2-CB 4.46Å; L72-I108 HydrophobicContact CD2-CG1 3.94Å
73	R	94.7	Very high	92.8	Very high	187 Å²	187	44 Å²	44	71%	0.706	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.2	176.5	-152.5	-170.5	-69.8	-166.8	-4.5	113.9	G75 D107	R73-G75 VanDerWaalsContact C-N 3.32Å; R73-D107 HydrophobicContact CB-CB 4.1Å; R73-D107 IonicContact CZ-OD1 3.7Å; R73-D107 IonicContact NE-OD1 3.27Å; R73-D107 PolarHBondContact NE-OD1 3.48Å; R73-D107 IonicContact NE-OD2 2.73Å; R73-D107 IonicContact NH2-OD1 3.37Å; R73-D107 PolarHBondContact NH2-OD1 3.39Å; R73-D107 IonicContact NH2-OD2 2.72Å
74	C	95.7	Very high	93.3	Very high	48 Å²	48	42 Å²	42	32%	0.324	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	1.3	176	61.7	0	0	0	0	114.7	L72 H76 C96 C99 A101	L72-C74 PolarHBondContact O-N 3.09Å; C74-H76 PolarHBondContact O-N 3.17Å; C74-C96 PolarHBondContact SG-SG 3.15Å; C74-C99 VanDerWaalsContact SG-SG 3.63Å; C74-A101 HydrophobicContact CB-CB 3.94Å
75	G	93.6	Very high	93.8	Very high	49 Å²	49	45.2 Å²	45.2	51%	0.505	24%	0.244	S	C	.	.	S	Bend	trans	91.1	-27.1	178.6	0	0	0	0	0	115.8	L72 R73	L72-G75 PolarHBondContact O-N 2.87Å; R73-G75 VanDerWaalsContact C-N 3.32Å
76	H	92.9	Very high	94	Very high	59 Å²	59	48.1 Å²	48.1	27%	0.273	24%	0.242	S	C	.	.			trans	-59.3	143.3	178.7	-68.8	99.3	0	0	0	113.9	C71 L72 C74 F78 Q98 C99	C71-H76 VanDerWaalsContact CA-O 3.27Å; C71-H76 WeakPolarHBondContact CA-O 3.43Å; L72-H76 PolarHBondContact N-O 3.43Å; L72-H76 VanDerWaalsContact N-O 3.09Å; C74-H76 PolarHBondContact O-N 3.17Å; H76-F78 HydrophobicContact CB-CE2 3.65Å; H76-F78 HydrophobicContact CB-CZ 3.71Å; H76-Q98 HydrophobicContact CB-CB 4.37Å; H76-Q98 VanDerWaalsContact CD2-CD 3.45Å; H76-C99 VanDerWaalsContact CE1-CB 3.42Å; H76-C99 WeakPolarHBondContact CE1-CB 3.41Å; H76-C99 PolarHBondContact ND1-SG 3.15Å; H76-C99 VanDerWaalsContact ND1-SG 3.41Å
77	L	92.8	Very high	94	Very high	51 Å²	51	43.8 Å²	43.8	27%	0.267	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.9	-171.2	-67.8	146.9	0	0	0	111.8	P55 W61 V69 C70 C71 L111 L116	P55-L77 WeakPolarHBondContact CG-O 3.4Å; W61-L77 HydrophobicContact CH2-CB 3.95Å; W61-L77 HydrophobicContact CZ2-CB 4.42Å; V69-L77 HydrophobicContact CG2-CB 4.45Å; V69-L77 HydrophobicContact CG2-CD2 3.86Å; C70-L77 CarbonylContact O-C 3.54Å; C70-L77 WeakPolarHBondContact O-CA 3.47Å; C71-L77 HydrophobicContact CB-CD2 4.34Å; L77-L111 HydrophobicContact CD2-CD1 3.44Å; L77-L111 VanDerWaalsContact CD2-CD1 3.44Å; L77-L116 HydrophobicContact CD1-CD2 4.32Å; L77-L116 HydrophobicContact CD2-CD2 4.25Å
78	F	93.5	Very high	93.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.9	179.9	-53.4	-76.2	0	0	0	111.3	P55 I56 W61 C70 L72 H76 V83 P97 Q98	P55-F78 HydrophobicContact CG-CD1 3.81Å; P55-F78 HydrophobicContact CG-CE1 3.87Å; I56-F78 HydrophobicContact CD1-CB 4.06Å; I56-F78 HydrophobicContact CD1-CD1 3.58Å; I56-F78 HydrophobicContact CD1-CE1 4.38Å; I56-F78 HydrophobicContact CD1-CG 4.02Å; I56-F78 HydrophobicContact CG1-CD1 3.76Å; I56-F78 HydrophobicContact CG1-CE1 4.33Å; W61-F78 VanDerWaalsContact CZ3-C 3.41Å; C70-F78 PolarHBondContact N-O 3.5Å; C70-F78 PolarHBondContact O-N 2.92Å; C70-F78 PolarHBondContact SG-O 3.47Å; L72-F78 HydrophobicContact CD1-CD2 4.08Å; L72-F78 HydrophobicContact CD1-CE2 3.64Å; L72-F78 HydrophobicContact CG-CD2 4.02Å; L72-F78 HydrophobicContact CG-CE2 3.94Å; H76-F78 HydrophobicContact CB-CE2 3.65Å; H76-F78 HydrophobicContact CB-CZ 3.71Å; F78-V83 HydrophobicContact CB-CB 4.07Å; F78-V83 HydrophobicContact CB-CG2 3.69Å; F78-V83 HydrophobicContact CD2-CG2 3.67Å; F78-V83 HydrophobicContact CG-CG2 3.69Å; F78-P97 HydrophobicContact CD1-CG 4.43Å; F78-P97 HydrophobicContact CE1-CB 4.02Å; F78-P97 HydrophobicContact CE1-CG 3.93Å; F78-P97 HydrophobicContact CZ-CB 4.32Å; F78-P97 HydrophobicContact CZ-CG 4.12Å; F78-Q98 HydrophobicContact CE1-CB 4.37Å; F78-Q98 HydrophobicContact CZ-CB 4Å
79	G	93.7	Very high	93.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.3	167.8	0	0	0	0	0	110	C54 S81 C82 V83	C54-G79 PolarHBondContact SG-N 3.24Å; G79-S81 VanDerWaalsContact C-N 3.34Å; G79-S81 PolarHBondContact O-N 3.41Å; G79-C82 WeakPolarHBondContact O-CA 3.44Å; G79-C82 WeakPolarHBondContact O-CB 3.07Å; G79-C82 PolarHBondContact O-N 3.3Å; G79-V83 PolarHBondContact O-N 3.05Å
80	Y	95.5	Very high	93.6	Very high	73 Å²	73	56 Å²	56	29%	0.286	28%	0.283	S	S	.	.	H	α-helix	trans	-55	-45.7	-172.8	179	-95.9	0	0	0	113	K68 C70 C82 M84 I108 V110	K68-Y80 WeakPolarHBondContact O-CB 3.33Å; K68-Y80 PolarHBondContact O-N 3.48Å; C70-Y80 HydrophobicContact CB-CD2 4.48Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 3.12Å; Y80-M84 HydrophobicContact CD1-CG 4.29Å; Y80-M84 HydrophobicContact CE1-CG 3.88Å; Y80-M84 HydrophobicContact CE2-CG 4.19Å; Y80-M84 VanDerWaalsContact O-CB 3.26Å; Y80-M84 WeakPolarHBondContact O-CB 3.32Å; Y80-M84 VanDerWaalsContact O-CG 3.32Å; Y80-M84 WeakPolarHBondContact O-CG 3.3Å; Y80-M84 PolarHBondContact O-N 3.13Å; Y80-I108 HydrophobicContact CD2-CG2 3.81Å; Y80-I108 HydrophobicContact CE2-CG2 3.89Å; Y80-V110 HydrophobicContact CD2-CG2 3.81Å; Y80-V110 HydrophobicContact CE2-CG2 4.12Å
81	S	95.3	Very high	93.2	Very high	31 Å²	31	57.7 Å²	57.7	22%	0.217	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-37.9	176.3	56.3	0	0	0	0	112.5	P66 H67 G79 K85	P66-S81 WeakPolarHBondContact O-CA 3.38Å; P66-S81 WeakPolarHBondContact O-CB 3.47Å; P66-S81 PolarHBondContact O-N 3.03Å; P66-S81 PolarHBondContact O-OG 3.15Å; H67-S81 PolarHBondContact ND1-OG 3.15Å; H67-S81 VanDerWaalsContact ND1-OG 3.09Å; G79-S81 VanDerWaalsContact C-N 3.34Å; G79-S81 PolarHBondContact O-N 3.41Å; S81-K85 WeakPolarHBondContact O-CB 3.46Å; S81-K85 WeakPolarHBondContact O-CG 3.37Å; S81-K85 PolarHBondContact O-N 3.22Å
82	C	95.4	Very high	92.6	Very high	14 Å²	14	67.4 Å²	67.4	10%	0.095	34%	0.341	C	S	.	.	H	α-helix	trans	-71.3	-47.6	-179.1	-70.4	0	0	0	0	111.8	I56 C57 H67 G79 Y80 M84 K85 W86	I56-C82 HydrophobicContact CB-CB 3.86Å; I56-C82 HydrophobicContact CD1-CB 3.8Å; I56-C82 HydrophobicContact CG1-CB 4.43Å; I56-C82 HydrophobicContact CG2-CB 3.81Å; C57-C82 VanDerWaalsContact SG-SG 3.61Å; H67-C82 PolarHBondContact CE1-SG 3.35Å; G79-C82 WeakPolarHBondContact O-CA 3.44Å; G79-C82 WeakPolarHBondContact O-CB 3.07Å; G79-C82 PolarHBondContact O-N 3.3Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 3.12Å; C82-M84 VanDerWaalsContact C-N 3.28Å; C82-M84 PolarHBondContact O-N 3.4Å; C82-K85 PolarHBondContact O-N 3.05Å; C82-W86 WeakPolarHBondContact O-CB 3.29Å; C82-W86 PolarHBondContact O-N 3.16Å
83	V	94.3	Very high	92.1	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-64.5	-35.4	175.4	120.1	0	0	0	0	111.4	I56 L72 F78 G79 W86 F87 I108	I56-V83 HydrophobicContact CD1-CG2 4.2Å; L72-V83 HydrophobicContact CD1-CG2 4.41Å; L72-V83 HydrophobicContact CD2-CG2 4.34Å; F78-V83 HydrophobicContact CB-CB 4.07Å; F78-V83 HydrophobicContact CB-CG2 3.69Å; F78-V83 HydrophobicContact CD2-CG2 3.67Å; F78-V83 HydrophobicContact CG-CG2 3.69Å; G79-V83 PolarHBondContact O-N 3.05Å; V83-W86 WeakPolarHBondContact O-CB 3.48Å; V83-W86 PolarHBondContact O-N 3.48Å; V83-F87 PolarHBondContact O-N 3.37Å; V83-I108 HydrophobicContact CG1-CD1 3.42Å; V83-I108 VanDerWaalsContact CG1-CD1 3.42Å; V83-I108 HydrophobicContact CG1-CG1 3.76Å; V83-I108 HydrophobicContact CG1-CG2 4.3Å
84	M	93.9	Very high	91.8	Very high	47 Å²	47	67.6 Å²	67.6	23%	0.232	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-39.8	175.6	-82.6	-74	-86.6	0	0	112.9	Y80 C82 K88 R105 I108	Y80-M84 HydrophobicContact CD1-CG 4.29Å; Y80-M84 HydrophobicContact CE1-CG 3.88Å; Y80-M84 HydrophobicContact CE2-CG 4.19Å; Y80-M84 VanDerWaalsContact O-CB 3.26Å; Y80-M84 WeakPolarHBondContact O-CB 3.32Å; Y80-M84 VanDerWaalsContact O-CG 3.32Å; Y80-M84 WeakPolarHBondContact O-CG 3.3Å; Y80-M84 PolarHBondContact O-N 3.13Å; C82-M84 VanDerWaalsContact C-N 3.28Å; C82-M84 PolarHBondContact O-N 3.4Å; M84-K88 WeakPolarHBondContact O-CB 3.49Å; M84-K88 PolarHBondContact O-N 3.44Å; M84-K88 VanDerWaalsContact O-N 3.14Å; M84-R105 PolarHBondContact O-NH2 3.28Å; M84-R105 VanDerWaalsContact O-NH2 3.14Å; M84-R105 HydrophobicContact SD-CG 4.14Å; M84-R105 VanDerWaalsContact SD-CZ 3.54Å; M84-R105 PolarHBondContact SD-NE 2.99Å; M84-R105 PolarHBondContact SD-NH2 3.46Å; M84-I108 HydrophobicContact CG-CD1 4.35Å; M84-I108 HydrophobicContact SD-CD1 4.07Å
85	K	94.4	Very high	91.8	Very high	153 Å²	153	70.1 Å²	70.1	67%	0.665	35%	0.353	S	S	*	.	H	α-helix	trans	-64.3	-44.7	172	-80.1	178.8	-177.1	177.3	0	110.7	S81 C82 F87 K88 S89	S81-K85 WeakPolarHBondContact O-CB 3.46Å; S81-K85 WeakPolarHBondContact O-CG 3.37Å; S81-K85 PolarHBondContact O-N 3.22Å; C82-K85 PolarHBondContact O-N 3.05Å; K85-F87 PolarHBondContact O-N 3.35Å; K85-K88 WeakPolarHBondContact O-CA 3.39Å; K85-K88 WeakPolarHBondContact O-CB 3.47Å; K85-K88 PolarHBondContact O-N 3.09Å; K85-S89 PolarHBondContact O-N 2.92Å
86	W	93.8	Very high	91.8	Very high	101 Å²	101	67.9 Å²	67.9	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-57.4	-47.7	176.9	-174.4	-104.1	0	0	0	112.4	C82 V83 K88 S89 V90 K95 P97	C82-W86 WeakPolarHBondContact O-CB 3.29Å; C82-W86 PolarHBondContact O-N 3.16Å; V83-W86 WeakPolarHBondContact O-CB 3.48Å; V83-W86 PolarHBondContact O-N 3.48Å; W86-K88 PolarHBondContact O-N 3.45Å; W86-S89 PolarHBondContact O-N 3Å; W86-S89 PolarHBondContact O-OG 3.24Å; W86-V90 HydrophobicContact CD2-CG2 4.46Å; W86-V90 HydrophobicContact CZ2-CG2 4.49Å; W86-V90 WeakPolarHBondContact O-CG2 3.41Å; W86-V90 PolarHBondContact O-N 3.4Å; W86-V90 VanDerWaalsContact O-N 3.09Å; W86-K95 PolarHBondContact NE1-O 3.01Å; W86-P97 HydrophobicContact CD2-CG 4.19Å; W86-P97 HydrophobicContact CG-CG 4.14Å; W86-P97 HydrophobicContact CZ2-CB 4.48Å
87	F	93	Very high	91.8	Very high	8 Å²	8	67.4 Å²	67.4	4%	0.035	33%	0.332	C	S	.	.	H	α-helix	trans	-67.8	-26.9	176.7	-73.2	3.1	0	0	0	112.9	L72 V83 K85 G91 A94 A103 N104 R105 I108	L72-F87 HydrophobicContact CD1-CZ 4.31Å; L72-F87 HydrophobicContact CD2-CE2 4.19Å; L72-F87 HydrophobicContact CD2-CZ 3.71Å; V83-F87 PolarHBondContact O-N 3.37Å; K85-F87 PolarHBondContact O-N 3.35Å; F87-G91 PolarHBondContact O-N 3.39Å; F87-G91 VanDerWaalsContact O-N 3.13Å; F87-A94 HydrophobicContact CB-CB 4.48Å; F87-A94 HydrophobicContact CD1-CB 3.46Å; F87-A94 VanDerWaalsContact CD1-CB 3.46Å; F87-A94 HydrophobicContact CE1-CB 3.81Å; F87-A94 HydrophobicContact CG-CB 4.01Å; F87-A103 HydrophobicContact CE1-CB 4.24Å; F87-A103 HydrophobicContact CZ-CB 3.72Å; F87-N104 WeakPolarHBondContact CE2-O 3Å; F87-R105 HydrophobicContact CB-CG 4.44Å; F87-R105 HydrophobicContact CD2-CB 4.43Å; F87-R105 HydrophobicContact CD2-CG 3.88Å; F87-I108 HydrophobicContact CD2-CD1 3.98Å; F87-I108 HydrophobicContact CE2-CD1 3.88Å; F87-I108 HydrophobicContact CE2-CG1 3.94Å
88	K	90.8	Very high	91.7	Very high	169 Å²	169	70.4 Å²	70.4	74%	0.735	34%	0.344	S	S	*	.	H	α-helix	trans	-73.5	-34.8	175.6	-152.1	178.2	-176.5	-174.9	0	111.6	M84 K85 W86	M84-K88 WeakPolarHBondContact O-CB 3.49Å; M84-K88 PolarHBondContact O-N 3.44Å; M84-K88 VanDerWaalsContact O-N 3.14Å; K85-K88 WeakPolarHBondContact O-CA 3.39Å; K85-K88 WeakPolarHBondContact O-CB 3.47Å; K85-K88 PolarHBondContact O-N 3.09Å; W86-K88 PolarHBondContact O-N 3.45Å
89	S	90	Very high	91.7	Very high	91 Å²	91	73.2 Å²	73.2	64%	0.636	36%	0.363	S	S	*	.	H	α-helix	trans	-76.8	-39.9	178.3	69.6	0	0	0	0	113.1	K85 W86	K85-S89 PolarHBondContact O-N 2.92Å; W86-S89 PolarHBondContact O-N 3Å; W86-S89 PolarHBondContact O-OG 3.24Å
90	V	88.6	Confident	91.7	Very high	69 Å²	69	78.5 Å²	78.5	42%	0.418	39%	0.392	S	S	.	.	H	α-helix	trans	-84.5	-28.5	-177	-174.6	0	0	0	0	112.8	W86 A94	W86-V90 HydrophobicContact CD2-CG2 4.46Å; W86-V90 HydrophobicContact CZ2-CG2 4.49Å; W86-V90 WeakPolarHBondContact O-CG2 3.41Å; W86-V90 PolarHBondContact O-N 3.4Å; W86-V90 VanDerWaalsContact O-N 3.09Å; V90-A94 HydrophobicContact CB-CB 4.38Å; V90-A94 HydrophobicContact CG1-CB 4.46Å
91	G	84.5	Confident	91.7	Very high	37 Å²	37	76.9 Å²	76.9	38%	0.381	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	76.5	-146.3	179.7	0	0	0	0	0	114.2	F87 K93 A94	F87-G91 PolarHBondContact O-N 3.39Å; F87-G91 VanDerWaalsContact O-N 3.13Å; G91-K93 PolarHBondContact O-N 3.46Å; G91-K93 VanDerWaalsContact O-N 3.08Å; G91-A94 PolarHBondContact O-N 3.22Å
92	K	81.6	Confident	91.6	Very high	224 Å²	224	84.3 Å²	84.3	97%	0.974	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-64.1	-16.2	-168.2	-73	-176.3	179.4	177	0	115.2
93	K	87.2	Confident	91.6	Very high	188 Å²	188	84 Å²	84	82%	0.817	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-104.1	23.6	180	-66.8	-174	179.6	178.6	0	112.9	G91	G91-K93 PolarHBondContact O-N 3.46Å; G91-K93 VanDerWaalsContact O-N 3.08Å
94	A	88.3	Confident	91.4	Very high	6 Å²	6	86.3 Å²	86.3	5%	0.05	43%	0.432	C	S	.	.			trans	-55.9	145.4	179.9	0	0	0	0	0	112.8	F87 V90 G91 A103	F87-A94 HydrophobicContact CB-CB 4.48Å; F87-A94 HydrophobicContact CD1-CB 3.46Å; F87-A94 VanDerWaalsContact CD1-CB 3.46Å; F87-A94 HydrophobicContact CE1-CB 3.81Å; F87-A94 HydrophobicContact CG-CB 4.01Å; V90-A94 HydrophobicContact CB-CB 4.38Å; V90-A94 HydrophobicContact CG1-CB 4.46Å; G91-A94 PolarHBondContact O-N 3.22Å; A94-A103 CarbonylContact C-O 3.56Å; A94-A103 PolarHBondContact O-N 2.97Å
95	K	94.6	Very high	91.4	Very high	102 Å²	102	89.5 Å²	89.5	44%	0.443	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-132.6	158.1	178.4	-67.5	178	176.4	-173.1	0	109.1	W86 N100 A101	W86-K95 PolarHBondContact NE1-O 3.01Å; K95-N100 WeakPolarHBondContact CD-O 3.16Å; K95-N100 VanDerWaalsContact CD-OD1 3.3Å; K95-N100 WeakPolarHBondContact CD-OD1 3.3Å; K95-A101 CarbonylContact C-O 3.05Å; K95-A101 WeakPolarHBondContact CA-O 3.41Å
96	C	95	Very high	91.3	Very high	1 Å²	1	92.5 Å²	92.5	1%	0.007	45%	0.449	C	S	.	.			trans	-55.7	126.5	170.7	177.2	0	0	0	0	109.8	L72 C74 Q98 C99 N100 A101	L72-C96 HydrophobicContact CD1-CB 3.84Å; C74-C96 PolarHBondContact SG-SG 3.15Å; C96-Q98 PolarHBondContact O-N 3.47Å; C96-Q98 PolarHBondContact SG-N 3.43Å; C96-Q98 VanDerWaalsContact SG-N 3.44Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; C96-N100 VanDerWaalsContact O-CA 3.28Å; C96-N100 WeakPolarHBondContact O-CA 3.36Å; C96-N100 PolarHBondContact O-N 3.09Å; C96-A101 HydrophobicContact CB-CB 4.43Å; C96-A101 PolarHBondContact N-O 3.4Å
97	P	91.6	Very high	91.2	Very high	50 Å²	50	88.2 Å²	88.2	33%	0.325	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.8	177	-23.8	31.3	0	0	0	114.2	I56 F78 W86	I56-P97 HydrophobicContact CD1-CG 4.1Å; I56-P97 HydrophobicContact CG1-CG 4.36Å; F78-P97 HydrophobicContact CD1-CG 4.43Å; F78-P97 HydrophobicContact CE1-CB 4.02Å; F78-P97 HydrophobicContact CE1-CG 3.93Å; F78-P97 HydrophobicContact CZ-CB 4.32Å; F78-P97 HydrophobicContact CZ-CG 4.12Å; W86-P97 HydrophobicContact CD2-CG 4.19Å; W86-P97 HydrophobicContact CG-CG 4.14Å; W86-P97 HydrophobicContact CZ2-CB 4.48Å
98	Q	90.5	Very high	91.3	Very high	113 Å²	113	89 Å²	89	53%	0.528	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-45.4	-170.9	-164.4	152.4	1.7	0	0	113.7	H76 F78 C96	H76-Q98 HydrophobicContact CB-CB 4.37Å; H76-Q98 VanDerWaalsContact CD2-CD 3.45Å; F78-Q98 HydrophobicContact CE1-CB 4.37Å; F78-Q98 HydrophobicContact CZ-CB 4Å; C96-Q98 PolarHBondContact O-N 3.47Å; C96-Q98 PolarHBondContact SG-N 3.43Å; C96-Q98 VanDerWaalsContact SG-N 3.44Å
99	C	94.8	Very high	91.5	Very high	60 Å²	60	90 Å²	90	41%	0.405	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	2.1	-178.6	69.5	0	0	0	0	115	C74 H76 C96 A101	C74-C99 VanDerWaalsContact SG-SG 3.63Å; H76-C99 VanDerWaalsContact CE1-CB 3.42Å; H76-C99 WeakPolarHBondContact CE1-CB 3.41Å; H76-C99 PolarHBondContact ND1-SG 3.15Å; H76-C99 VanDerWaalsContact ND1-SG 3.41Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; C99-A101 PolarHBondContact O-N 3.1Å; C99-A101 VanDerWaalsContact SG-CB 3.56Å
100	N	93.3	Very high	91.7	Very high	112 Å²	112	87.6 Å²	87.6	60%	0.599	42%	0.418	S	S	*	.			trans	62.3	9.7	179.8	-115.9	-19	0	0	0	116	K95 C96	K95-N100 WeakPolarHBondContact CD-O 3.16Å; K95-N100 VanDerWaalsContact CD-OD1 3.3Å; K95-N100 WeakPolarHBondContact CD-OD1 3.3Å; C96-N100 VanDerWaalsContact O-CA 3.28Å; C96-N100 WeakPolarHBondContact O-CA 3.36Å; C96-N100 PolarHBondContact O-N 3.09Å
101	A	94.8	Very high	91.8	Very high	38 Å²	38	87.2 Å²	87.2	31%	0.314	41%	0.413	S	S	.	.			trans	-61.4	144.9	172.4	0	0	0	0	0	111.2	C74 K95 C96 C99 A103	C74-A101 HydrophobicContact CB-CB 3.94Å; K95-A101 CarbonylContact C-O 3.05Å; K95-A101 WeakPolarHBondContact CA-O 3.41Å; C96-A101 HydrophobicContact CB-CB 4.43Å; C96-A101 PolarHBondContact N-O 3.4Å; C99-A101 PolarHBondContact O-N 3.1Å; C99-A101 VanDerWaalsContact SG-CB 3.56Å; A101-A103 PolarHBondContact O-N 2.99Å
102	K	94.2	Very high	92	Very high	188 Å²	188	94.3 Å²	94.3	82%	0.817	43%	0.43	S	S	*	.	B	Isolated β-bridge	trans	-60.3	125.8	179.1	-148.7	176.4	-171.9	177.8	0	109.4
103	A	94.4	Very high	91.8	Very high	6 Å²	6	85.7 Å²	85.7	5%	0.05	40%	0.397	C	S	.	.			trans	-142.3	144.7	-174.3	0	0	0	0	0	111.3	L72 F87 A94 A101	L72-A103 HydrophobicContact CD1-CB 3.95Å; L72-A103 HydrophobicContact CD2-CB 4.46Å; F87-A103 HydrophobicContact CE1-CB 4.24Å; F87-A103 HydrophobicContact CZ-CB 3.72Å; A94-A103 CarbonylContact C-O 3.56Å; A94-A103 PolarHBondContact O-N 2.97Å; A101-A103 PolarHBondContact O-N 2.99Å
104	N	91.5	Very high	91.1	Very high	49 Å²	49	86.3 Å²	86.3	26%	0.262	40%	0.4	S	S	.	.			trans	-142	165.2	-179.1	45.9	87	0	0	0	111.7	F87 R106 D107	F87-N104 WeakPolarHBondContact CE2-O 3Å; N104-R106 PolarHBondContact O-N 3.17Å; N104-R106 WeakPolarHBondContact OD1-CG 2.95Å; N104-R106 PolarHBondContact OD1-NE 3.43Å; N104-D107 PolarHBondContact N-OD2 2.89Å; N104-D107 PolarHBondContact ND2-OD2 3.08Å; N104-D107 WeakPolarHBondContact O-CA 3.18Å; N104-D107 WeakPolarHBondContact O-CB 3.48Å; N104-D107 PolarHBondContact O-N 3.34Å; N104-D107 PolarHBondContact OD1-OD1 3.05Å; N104-D107 PolarHBondContact OD1-OD2 3.45Å; N104-D107 VanDerWaalsContact OD1-OD2 3.13Å
105	R	92.2	Very high	90.2	Very high	114 Å²	114	93.5 Å²	93.5	43%	0.43	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-52.5	-33.6	-172	-93.4	-173.9	148.5	86.7	10.8	114.8	M84 F87 D107 I108	M84-R105 PolarHBondContact O-NH2 3.28Å; M84-R105 VanDerWaalsContact O-NH2 3.14Å; M84-R105 HydrophobicContact SD-CG 4.14Å; M84-R105 VanDerWaalsContact SD-CZ 3.54Å; M84-R105 PolarHBondContact SD-NE 2.99Å; M84-R105 PolarHBondContact SD-NH2 3.46Å; F87-R105 HydrophobicContact CB-CG 4.44Å; F87-R105 HydrophobicContact CD2-CB 4.43Å; F87-R105 HydrophobicContact CD2-CG 3.88Å; R105-D107 VanDerWaalsContact C-N 3.26Å; R105-D107 PolarHBondContact O-N 3.16Å; R105-I108 WeakPolarHBondContact O-CG1 3.38Å; R105-I108 PolarHBondContact O-N 3.27Å
106	R	92.4	Very high	88.9	Confident	217 Å²	217	92.1 Å²	92.1	82%	0.819	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-76.6	-9	178.1	53.5	-175.9	171.1	-173	-3.5	113.9	N104	N104-R106 PolarHBondContact O-N 3.17Å; N104-R106 WeakPolarHBondContact OD1-CG 2.95Å; N104-R106 PolarHBondContact OD1-NE 3.43Å
107	D	92.3	Very high	87.8	Confident	11 Å²	11	95.8 Å²	95.8	6%	0.059	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-87.3	-8.7	175.4	-62.8	-31	0	0	0	113.4	R73 N104 R105 R109	R73-D107 HydrophobicContact CB-CB 4.1Å; R73-D107 IonicContact CZ-OD1 3.7Å; R73-D107 IonicContact NE-OD1 3.27Å; R73-D107 PolarHBondContact NE-OD1 3.48Å; R73-D107 IonicContact NE-OD2 2.73Å; R73-D107 IonicContact NH2-OD1 3.37Å; R73-D107 PolarHBondContact NH2-OD1 3.39Å; R73-D107 IonicContact NH2-OD2 2.72Å; N104-D107 PolarHBondContact N-OD2 2.89Å; N104-D107 PolarHBondContact ND2-OD2 3.08Å; N104-D107 WeakPolarHBondContact O-CA 3.18Å; N104-D107 WeakPolarHBondContact O-CB 3.48Å; N104-D107 PolarHBondContact O-N 3.34Å; N104-D107 PolarHBondContact OD1-OD1 3.05Å; N104-D107 PolarHBondContact OD1-OD2 3.45Å; N104-D107 VanDerWaalsContact OD1-OD2 3.13Å; R105-D107 VanDerWaalsContact C-N 3.26Å; R105-D107 PolarHBondContact O-N 3.16Å; D107-R109 PolarHBondContact O-N 3.42Å
108	I	95.2	Very high	86.7	Confident	24 Å²	24	97.7 Å²	97.7	12%	0.123	46%	0.461	C	S	.	.			trans	-76.2	119.7	-178.6	-56.5	168.8	0	0	0	108.4	C70 L72 Y80 V83 M84 F87 R105	C70-I108 HydrophobicContact CB-CG2 3.92Å; L72-I108 HydrophobicContact CD2-CG1 3.94Å; Y80-I108 HydrophobicContact CD2-CG2 3.81Å; Y80-I108 HydrophobicContact CE2-CG2 3.89Å; V83-I108 HydrophobicContact CG1-CD1 3.42Å; V83-I108 VanDerWaalsContact CG1-CD1 3.42Å; V83-I108 HydrophobicContact CG1-CG1 3.76Å; V83-I108 HydrophobicContact CG1-CG2 4.3Å; M84-I108 HydrophobicContact CG-CD1 4.35Å; M84-I108 HydrophobicContact SD-CD1 4.07Å; F87-I108 HydrophobicContact CD2-CD1 3.98Å; F87-I108 HydrophobicContact CE2-CD1 3.88Å; F87-I108 HydrophobicContact CE2-CG1 3.94Å; R105-I108 WeakPolarHBondContact O-CG1 3.38Å; R105-I108 PolarHBondContact O-N 3.27Å
109	R	95.6	Very high	85.6	Confident	191 Å²	191	97.1 Å²	97.1	72%	0.721	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.7	170.5	-66.8	-172.4	-176.1	-138.6	2.6	109.6	C70 C71 D107	C70-R109 CarbonylContact C-O 3.57Å; C70-R109 WeakPolarHBondContact CA-O 3.37Å; C70-R109 VanDerWaalsContact CB-O 3.25Å; C70-R109 WeakPolarHBondContact CB-O 3.36Å; C71-R109 PolarHBondContact N-O 2.89Å; C71-R109 PolarHBondContact O-N 3.32Å; D107-R109 PolarHBondContact O-N 3.42Å
110	V	94.2	Very high	84.5	Confident	39 Å²	39	100 Å²	100	24%	0.236	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.3	172.8	177.6	0	0	0	0	108.4	K68 C70 Y80 Y112	K68-V110 HydrophobicContact CD-CG1 3.61Å; K68-V110 HydrophobicContact CG-CG1 3.93Å; C70-V110 HydrophobicContact CB-CG2 4.45Å; Y80-V110 HydrophobicContact CD2-CG2 3.81Å; Y80-V110 HydrophobicContact CE2-CG2 4.12Å; V110-Y112 HydrophobicContact CB-CE2 4.15Å; V110-Y112 HydrophobicContact CG1-CD2 4.28Å; V110-Y112 HydrophobicContact CG1-CE1 4.43Å; V110-Y112 HydrophobicContact CG1-CE2 3.74Å
111	L	90.8	Very high	84.1	Confident	61 Å²	61	97 Å²	97	32%	0.319	46%	0.459	S	S	.	.			trans	-100.4	135	176.1	-56.9	171.8	0	0	0	109	V69 C71 L77	V69-L111 HydrophobicContact CG1-CB 3.97Å; V69-L111 PolarHBondContact O-N 3.48Å; C71-L111 HydrophobicContact CB-CD1 4.37Å; L77-L111 HydrophobicContact CD2-CD1 3.44Å; L77-L111 VanDerWaalsContact CD2-CD1 3.44Å
112	Y	87.8	Confident	83.4	Confident	187 Å²	187	98.9 Å²	98.9	73%	0.733	47%	0.466	S	S	*	.			trans	-110.7	84.6	176.9	-66.6	-89.7	0	0	0	108.2	V110	V110-Y112 HydrophobicContact CB-CE2 4.15Å; V110-Y112 HydrophobicContact CG1-CD2 4.28Å; V110-Y112 HydrophobicContact CG1-CE1 4.43Å; V110-Y112 HydrophobicContact CG1-CE2 3.74Å
113	C	77.5	Confident	82.6	Confident	42 Å²	42	94.6 Å²	94.6	28%	0.284	45%	0.452	S	S	.	.			trans	-117.8	139.7	180	37.2	0	0	0	0	109.8	L116	C113-L116 HydrophobicContact CB-CB 4.48Å
114	K	72.9	Confident	82	Confident	201 Å²	201	100.4 Å²	100.4	87%	0.874	47%	0.473	S	S	*	.	S	Bend	trans	-75.4	-44	177.8	-77.7	-175.4	176.4	-179.5	0	111.8
115	N	68	Low	81.6	Confident	158 Å²	158	101.4 Å²	101.4	85%	0.845	48%	0.478	S	S	*	.			trans	-142.2	117.1	176.2	-68.9	-41	0	0	0	107.3
116	L	69	Low	81.5	Confident	72 Å²	72	102.5 Å²	102.5	38%	0.377	48%	0.482	S	S	.	.			trans	-109.5	112.3	174.9	-172.6	77.6	0	0	0	107.2	L77 C113	L77-L116 HydrophobicContact CD1-CD2 4.32Å; L77-L116 HydrophobicContact CD2-CD2 4.25Å; C113-L116 HydrophobicContact CB-CB 4.48Å
117	K	71.2	Confident	81.1	Confident	78 Å²	78	94.8 Å²	94.8	34%	0.339	46%	0.464	S	S	.	.			trans	-133.6	126.6	178.4	-169.8	165.5	-171.4	149.1	0	109.1	D45 D48 L119	D45-K117 WeakPolarHBondContact OD1-CE 3.48Å; D45-K117 IonicContact OD1-NZ 3.46Å; D45-K117 PolarHBondContact OD1-NZ 3.42Å; D45-K117 IonicContact OD2-NZ 3.99Å; D45-K117 PolarHBondContact OD2-NZ 3.11Å; D48-K117 WeakPolarHBondContact OD2-CE 3.34Å; D48-K117 IonicContact OD2-NZ 3.91Å; K117-L119 HydrophobicContact CD-CD2 4.24Å; K117-L119 HydrophobicContact CG-CD2 4.24Å
118	V	68.1	Low	80.9	Confident	91 Å²	91	98.8 Å²	98.8	55%	0.552	49%	0.486	S	S	*	.			trans	-107	113.1	178.2	-178	0	0	0	0	106.5	T51	T51-V118 HydrophobicContact CG2-CB 3.86Å; T51-V118 HydrophobicContact CG2-CG2 4.27Å
119	L	66.7	Low	80.6	Confident	100 Å²	100	100.8 Å²	100.8	52%	0.524	51%	0.505	S	S	.	.			trans	-93	120.3	-179.8	-64.3	170.7	0	0	0	109	K117 T121	K117-L119 HydrophobicContact CD-CD2 4.24Å; K117-L119 HydrophobicContact CG-CD2 4.24Å; L119-T121 HydrophobicContact CB-CG2 4.4Å; L119-T121 PolarHBondContact O-N 3.18Å
120	D	73.1	Confident	80.4	Confident	122 Å²	122	96.4 Å²	96.4	65%	0.652	49%	0.493	S	S	*	.			trans	-74.1	101.8	167.1	-172.4	-2.9	0	0	0	109.3	T122	D120-T122 VanDerWaalsContact C-N 3.32Å; D120-T122 WeakPolarHBondContact OD1-CB 3.5Å; D120-T122 PolarHBondContact OD1-N 3.05Å; D120-T122 PolarHBondContact OD1-OG1 3.25Å
121	T	83.8	Confident	80.1	Confident	49 Å²	49	98.7 Å²	98.7	30%	0.301	50%	0.504	S	S	.	.			trans	-88.5	0.6	179.2	65.8	0	0	0	0	113	L119 D123 R124 D125	L119-T121 HydrophobicContact CB-CG2 4.4Å; L119-T121 PolarHBondContact O-N 3.18Å; T121-D123 PolarHBondContact O-N 3.1Å; T121-R124 WeakPolarHBondContact O-CB 3.37Å; T121-R124 PolarHBondContact O-N 3.09Å; T121-R124 VanDerWaalsContact O-N 3.11Å; T121-D125 WeakPolarHBondContact CB-OD2 3.48Å; T121-D125 WeakPolarHBondContact O-CB 3.32Å; T121-D125 PolarHBondContact O-N 3.34Å; T121-D125 PolarHBondContact OG1-OD2 2.92Å
122	T	81	Confident	80.1	Confident	76 Å²	76	99.8 Å²	99.8	47%	0.466	51%	0.507	S	S	.	.	H	α-helix	trans	-57	-47.2	-171.2	-51.7	0	0	0	0	112	D120 D125 R126	D120-T122 VanDerWaalsContact C-N 3.32Å; D120-T122 WeakPolarHBondContact OD1-CB 3.5Å; D120-T122 PolarHBondContact OD1-N 3.05Å; D120-T122 PolarHBondContact OD1-OG1 3.25Å; T122-D125 PolarHBondContact O-N 3.41Å; T122-R126 WeakPolarHBondContact O-CB 3.2Å; T122-R126 PolarHBondContact O-N 2.95Å
123	D	77	Confident	80.5	Confident	98 Å²	98	98.5 Å²	98.5	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-73.1	-34	-179.9	-72.7	-27.9	0	0	0	112.4	T121 R126 A127	T121-D123 PolarHBondContact O-N 3.1Å; D123-R126 PolarHBondContact O-N 3.42Å; D123-R126 IonicContact OD1-CZ 3.56Å; D123-R126 IonicContact OD1-NH1 3.66Å; D123-R126 PolarHBondContact OD1-NH1 3.37Å; D123-R126 IonicContact OD1-NH2 3.28Å; D123-A127 VanDerWaalsContact O-CB 3.3Å; D123-A127 WeakPolarHBondContact O-CB 3.25Å; D123-A127 PolarHBondContact O-N 3.49Å
124	R	81.7	Confident	81.1	Confident	129 Å²	129	102.7 Å²	102.7	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-47	173.9	-174.3	-163.9	69.8	172.1	-1	110.5	T121 R126 A127 L128	T121-R124 WeakPolarHBondContact O-CB 3.37Å; T121-R124 PolarHBondContact O-N 3.09Å; T121-R124 VanDerWaalsContact O-N 3.11Å; R124-R126 VanDerWaalsContact C-N 3.34Å; R124-A127 PolarHBondContact O-N 2.81Å; R124-L128 HydrophobicContact CG-CD1 4.21Å; R124-L128 WeakPolarHBondContact O-CB 3.16Å; R124-L128 WeakPolarHBondContact O-CG 3.27Å; R124-L128 PolarHBondContact O-N 3.29Å
125	D	84.1	Confident	81.9	Confident	70 Å²	70	97.5 Å²	97.5	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-69.4	-36.3	-176.9	-59.5	-21.2	0	0	0	110.2	T121 T122 A129	T121-D125 WeakPolarHBondContact CB-OD2 3.48Å; T121-D125 WeakPolarHBondContact O-CB 3.32Å; T121-D125 PolarHBondContact O-N 3.34Å; T121-D125 PolarHBondContact OG1-OD2 2.92Å; T122-D125 PolarHBondContact O-N 3.41Å; D125-A129 PolarHBondContact O-N 2.83Å; D125-A129 VanDerWaalsContact O-N 3.1Å
126	R	88.7	Confident	83.2	Confident	137 Å²	137	97.9 Å²	97.9	52%	0.517	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-49.4	169.8	-171.7	-171.8	-61.3	136.3	8.6	111.9	T122 D123 R124 L128 A129 E130	T122-R126 WeakPolarHBondContact O-CB 3.2Å; T122-R126 PolarHBondContact O-N 2.95Å; D123-R126 PolarHBondContact O-N 3.42Å; D123-R126 IonicContact OD1-CZ 3.56Å; D123-R126 IonicContact OD1-NH1 3.66Å; D123-R126 PolarHBondContact OD1-NH1 3.37Å; D123-R126 IonicContact OD1-NH2 3.28Å; R124-R126 VanDerWaalsContact C-N 3.34Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.94Å; R126-A129 PolarHBondContact O-N 2.89Å; R126-E130 PolarHBondContact O-N 3.48Å
127	A	83.9	Confident	84.4	Confident	54 Å²	54	96.4 Å²	96.4	45%	0.446	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-38.6	-179.3	0	0	0	0	0	112.2	D123 R124 E130 L131	D123-A127 VanDerWaalsContact O-CB 3.3Å; D123-A127 WeakPolarHBondContact O-CB 3.25Å; D123-A127 PolarHBondContact O-N 3.49Å; R124-A127 PolarHBondContact O-N 2.81Å; A127-E130 PolarHBondContact O-N 3.5Å; A127-L131 VanDerWaalsContact O-CB 3.3Å; A127-L131 WeakPolarHBondContact O-CB 3.28Å; A127-L131 PolarHBondContact O-N 2.98Å
128	L	88.1	Confident	85.4	Confident	96 Å²	96	98.7 Å²	98.7	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-40.6	174.7	-74.2	171.6	0	0	0	111.9	R124 R126 E132	R124-L128 HydrophobicContact CG-CD1 4.21Å; R124-L128 WeakPolarHBondContact O-CB 3.16Å; R124-L128 WeakPolarHBondContact O-CG 3.27Å; R124-L128 PolarHBondContact O-N 3.29Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.94Å; L128-E132 PolarHBondContact O-N 3.11Å; L128-E132 VanDerWaalsContact O-N 3.09Å
129	A	90	Very high	86.6	Confident	65 Å²	65	100.8 Å²	100.8	54%	0.537	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-42.1	176.4	0	0	0	0	0	112.3	D125 R126 E132 R133	D125-A129 PolarHBondContact O-N 2.83Å; D125-A129 VanDerWaalsContact O-N 3.1Å; R126-A129 PolarHBondContact O-N 2.89Å; A129-E132 PolarHBondContact O-N 3.31Å; A129-R133 PolarHBondContact O-N 2.98Å; A129-R133 VanDerWaalsContact O-N 3.11Å
130	E	89.8	Confident	87.9	Confident	99 Å²	99	102.4 Å²	102.4	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-66.3	-41.7	176.3	-71.9	-175.1	161.3	0	0	112.4	R126 A127 E132 R133 E134	R126-E130 PolarHBondContact O-N 3.48Å; A127-E130 PolarHBondContact O-N 3.5Å; E130-E132 VanDerWaalsContact C-N 3.3Å; E130-E132 PolarHBondContact O-N 3.43Å; E130-R133 WeakPolarHBondContact O-CB 3.35Å; E130-R133 PolarHBondContact O-N 3.34Å; E130-R133 IonicContact OE1-NH2 3.87Å; E130-E134 PolarHBondContact O-N 3.29Å
131	L	89.4	Confident	88.8	Confident	88 Å²	88	99 Å²	99	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-60	-41.1	175.9	178.1	64.8	0	0	0	111.8	A127 E134 K135	A127-L131 VanDerWaalsContact O-CB 3.3Å; A127-L131 WeakPolarHBondContact O-CB 3.28Å; A127-L131 PolarHBondContact O-N 2.98Å; L131-E134 PolarHBondContact O-N 3.26Å; L131-K135 HydrophobicContact CG-CD 4.43Å; L131-K135 WeakPolarHBondContact O-CB 3.33Å; L131-K135 WeakPolarHBondContact O-CG 3.2Å; L131-K135 PolarHBondContact O-N 3.03Å
132	E	90.9	Very high	89.3	Confident	83 Å²	83	101.7 Å²	101.7	39%	0.388	50%	0.497	S	S	.	.	H	α-helix	trans	-67.4	-39.5	178.5	-175	56.5	-155.3	0	0	111.7	L128 A129 E130 K135 R136	L128-E132 PolarHBondContact O-N 3.11Å; L128-E132 VanDerWaalsContact O-N 3.09Å; A129-E132 PolarHBondContact O-N 3.31Å; E130-E132 VanDerWaalsContact C-N 3.3Å; E130-E132 PolarHBondContact O-N 3.43Å; E132-K135 PolarHBondContact O-N 3.42Å; E132-R136 WeakPolarHBondContact O-CG 3.2Å; E132-R136 PolarHBondContact O-N 2.93Å; E132-R136 VanDerWaalsContact O-N 3.17Å; E132-R136 IonicContact OE1-CZ 3.18Å; E132-R136 IonicContact OE1-NE 3.7Å; E132-R136 PolarHBondContact OE1-NE 3.18Å; E132-R136 IonicContact OE1-NH2 2.76Å
133	R	94.6	Very high	90	Very high	161 Å²	161	103.9 Å²	103.9	61%	0.608	50%	0.502	S	S	*	.	H	α-helix	trans	-60.9	-45.7	173	-177.8	-178	61	-179.2	-6.4	111.5	A129 E130 R136 G137	A129-R133 PolarHBondContact O-N 2.98Å; A129-R133 VanDerWaalsContact O-N 3.11Å; E130-R133 WeakPolarHBondContact O-CB 3.35Å; E130-R133 PolarHBondContact O-N 3.34Å; E130-R133 IonicContact OE1-NH2 3.87Å; R133-R136 PolarHBondContact O-N 3.39Å; R133-G137 PolarHBondContact O-N 2.9Å
134	E	91.7	Very high	90.8	Very high	130 Å²	130	104.2 Å²	104.2	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-66.7	-39.3	-179.3	-162.9	61.7	-158.3	0	0	112	E130 L131 R136 G137 R138	E130-E134 PolarHBondContact O-N 3.29Å; L131-E134 PolarHBondContact O-N 3.26Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 2.61Å; E134-G137 PolarHBondContact O-N 3.18Å; E134-R138 PolarHBondContact O-N 2.81Å
135	K	89.1	Confident	91.4	Very high	91 Å²	91	101 Å²	101	40%	0.396	50%	0.502	S	S	.	.	H	α-helix	trans	-59.9	-42.6	175	-80.4	176.7	-179.2	173	0	112.3	L131 E132 Q139	L131-K135 HydrophobicContact CG-CD 4.43Å; L131-K135 WeakPolarHBondContact O-CB 3.33Å; L131-K135 WeakPolarHBondContact O-CG 3.2Å; L131-K135 PolarHBondContact O-N 3.03Å; E132-K135 PolarHBondContact O-N 3.42Å; K135-Q139 PolarHBondContact O-N 2.72Å
136	R	95.1	Very high	91.9	Very high	166 Å²	166	100.6 Å²	100.6	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-65.4	-43.3	176.1	-69.9	178.6	-168.4	-175.7	1.3	111.5	E132 R133 E134 Q139 K140	E132-R136 WeakPolarHBondContact O-CG 3.2Å; E132-R136 PolarHBondContact O-N 2.93Å; E132-R136 VanDerWaalsContact O-N 3.17Å; E132-R136 IonicContact OE1-CZ 3.18Å; E132-R136 IonicContact OE1-NE 3.7Å; E132-R136 PolarHBondContact OE1-NE 3.18Å; E132-R136 IonicContact OE1-NH2 2.76Å; R133-R136 PolarHBondContact O-N 3.39Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 2.61Å; R136-Q139 PolarHBondContact O-N 3.46Å; R136-K140 PolarHBondContact O-N 3.44Å; R136-K140 VanDerWaalsContact O-N 3.16Å
137	G	93.5	Very high	92.2	Very high	42 Å²	42	99.5 Å²	99.5	43%	0.433	51%	0.509	S	S	.	.	H	α-helix	trans	-58.1	-48.5	175.3	0	0	0	0	0	112.2	R133 E134 Q139 K140 A141	R133-G137 PolarHBondContact O-N 2.9Å; E134-G137 PolarHBondContact O-N 3.18Å; G137-Q139 PolarHBondContact O-N 3.25Å; G137-K140 PolarHBondContact O-N 2.69Å; G137-A141 PolarHBondContact O-N 2.99Å; G137-A141 VanDerWaalsContact O-N 3.08Å
138	R	93.2	Very high	92.5	Very high	126 Å²	126	103.8 Å²	103.8	48%	0.475	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-43.7	178	-171.8	-175.2	65.8	-161.1	-9.6	112.8	E134 K140 A141 E142	E134-R138 PolarHBondContact O-N 2.81Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 3.45Å; R138-A141 PolarHBondContact O-N 3.13Å; R138-E142 HydrophobicContact CG-CG 4.26Å; R138-E142 IonicContact NE-OE1 2.74Å; R138-E142 WeakPolarHBondContact O-CB 3.38Å; R138-E142 WeakPolarHBondContact O-CG 3.44Å; R138-E142 PolarHBondContact O-N 2.73Å
139	Q	92.5	Very high	92.8	Very high	135 Å²	135	106 Å²	106	63%	0.631	52%	0.523	S	S	*	.	H	α-helix	trans	-60.1	-41.8	178.8	-105.7	-179.9	-10.6	0	0	112.1	K135 R136 G137 E142 Q143	K135-Q139 PolarHBondContact O-N 2.72Å; R136-Q139 PolarHBondContact O-N 3.46Å; G137-Q139 PolarHBondContact O-N 3.25Å; Q139-E142 PolarHBondContact O-N 3.21Å; Q139-Q143 PolarHBondContact O-N 3.4Å; Q139-Q143 VanDerWaalsContact O-N 3.09Å
140	K	95	Very high	93	Very high	133 Å²	133	105.8 Å²	105.8	58%	0.578	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-46.6	177.2	-172.2	176.4	175.4	-176.7	0	111.6	R136 G137 R138 E142 Q143 E144	R136-K140 PolarHBondContact O-N 3.44Å; R136-K140 VanDerWaalsContact O-N 3.16Å; G137-K140 PolarHBondContact O-N 2.69Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 3.45Å; K140-E142 PolarHBondContact O-N 3.18Å; K140-Q143 PolarHBondContact O-N 3.19Å; K140-E144 WeakPolarHBondContact CE-OE1 3.44Å; K140-E144 WeakPolarHBondContact O-CG 3.14Å; K140-E144 PolarHBondContact O-N 3.29Å
141	A	92.6	Very high	93.2	Very high	52 Å²	52	109.5 Å²	109.5	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-63.8	-38.5	177.7	0	0	0	0	0	112.9	G137 R138 Q143 A145	G137-A141 PolarHBondContact O-N 2.99Å; G137-A141 VanDerWaalsContact O-N 3.08Å; R138-A141 PolarHBondContact O-N 3.13Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; A141-A145 VanDerWaalsContact O-CB 3.29Å; A141-A145 WeakPolarHBondContact O-CB 3.23Å; A141-A145 PolarHBondContact O-N 3.15Å
142	E	94.5	Very high	93.3	Very high	105 Å²	105	108.1 Å²	108.1	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-38.2	175.2	-77.6	174.2	176.3	0	0	111.7	R138 Q139 K140 A146	R138-E142 HydrophobicContact CG-CG 4.26Å; R138-E142 IonicContact NE-OE1 2.74Å; R138-E142 WeakPolarHBondContact O-CB 3.38Å; R138-E142 WeakPolarHBondContact O-CG 3.44Å; R138-E142 PolarHBondContact O-N 2.73Å; Q139-E142 PolarHBondContact O-N 3.21Å; K140-E142 PolarHBondContact O-N 3.18Å; E142-A146 PolarHBondContact O-N 3.39Å; E142-A146 VanDerWaalsContact O-N 3.15Å
143	Q	93.8	Very high	93.3	Very high	121 Å²	121	109 Å²	109	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-67	-49.2	176.1	-176.1	176.3	-10.3	0	0	111.7	Q139 K140 A141 A145 A146 E147	Q139-Q143 PolarHBondContact O-N 3.4Å; Q139-Q143 VanDerWaalsContact O-N 3.09Å; K140-Q143 PolarHBondContact O-N 3.19Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; Q143-A145 VanDerWaalsContact C-N 3.32Å; Q143-A145 PolarHBondContact O-N 2.73Å; Q143-A146 WeakPolarHBondContact O-CB 3.17Å; Q143-A146 PolarHBondContact O-N 2.82Å; Q143-A146 VanDerWaalsContact O-N 3.15Å; Q143-E147 PolarHBondContact NE2-OE1 2.82Å; Q143-E147 PolarHBondContact O-N 3.44Å
144	E	94.9	Very high	93.3	Very high	105 Å²	105	106.5 Å²	106.5	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-60.9	-41	178.6	-71.1	171.2	180	0	0	111.6	K140 A146 E147 F148	K140-E144 WeakPolarHBondContact CE-OE1 3.44Å; K140-E144 WeakPolarHBondContact O-CG 3.14Å; K140-E144 PolarHBondContact O-N 3.29Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.4Å; E144-E147 PolarHBondContact O-N 2.62Å; E144-F148 PolarHBondContact O-N 2.82Å
145	A	94.8	Very high	93.4	Very high	62 Å²	62	104.9 Å²	104.9	51%	0.512	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-36.7	175.9	0	0	0	0	0	112.8	A141 Q143 K149	A141-A145 VanDerWaalsContact O-CB 3.29Å; A141-A145 WeakPolarHBondContact O-CB 3.23Å; A141-A145 PolarHBondContact O-N 3.15Å; Q143-A145 VanDerWaalsContact C-N 3.32Å; Q143-A145 PolarHBondContact O-N 2.73Å; A145-K149 WeakPolarHBondContact O-CB 3.3Å; A145-K149 PolarHBondContact O-N 2.64Å; A145-K149 VanDerWaalsContact O-N 3.1Å
146	A	93.7	Very high	93.5	Very high	61 Å²	61	106.5 Å²	106.5	50%	0.504	54%	0.538	S	S	.	.	H	α-helix	trans	-67.6	-40.8	176.1	0	0	0	0	0	111.8	E142 Q143 E144 K149 A150	E142-A146 PolarHBondContact O-N 3.39Å; E142-A146 VanDerWaalsContact O-N 3.15Å; Q143-A146 WeakPolarHBondContact O-CB 3.17Å; Q143-A146 PolarHBondContact O-N 2.82Å; Q143-A146 VanDerWaalsContact O-N 3.15Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.4Å; A146-K149 PolarHBondContact O-N 3.31Å; A146-A150 PolarHBondContact O-N 2.79Å; A146-A150 VanDerWaalsContact O-N 3.12Å
147	E	94.5	Very high	93.4	Very high	115 Å²	115	101.2 Å²	101.2	54%	0.537	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-44.6	176.3	-71.8	176.3	-168.1	0	0	111.8	Q143 E144 K149 A150 R151	Q143-E147 PolarHBondContact NE2-OE1 2.82Å; Q143-E147 PolarHBondContact O-N 3.44Å; E144-E147 PolarHBondContact O-N 2.62Å; E147-K149 PolarHBondContact O-N 2.86Å; E147-A150 PolarHBondContact O-N 3.47Å; E147-R151 PolarHBondContact O-N 3Å; E147-R151 VanDerWaalsContact O-N 3.15Å
148	F	91.7	Very high	93.3	Very high	143 Å²	143	103.9 Å²	103.9	63%	0.627	53%	0.53	S	S	*	.	H	α-helix	trans	-63.9	-42.8	178.8	-154	-79.4	0	0	0	111.7	E144 A150 R151 C152	E144-F148 PolarHBondContact O-N 2.82Å; F148-A150 PolarHBondContact O-N 3.49Å; F148-R151 PolarHBondContact O-N 3.38Å; F148-R151 VanDerWaalsContact O-N 3.16Å; F148-C152 PolarHBondContact O-N 3.45Å
149	K	93	Very high	93.2	Very high	143 Å²	143	102.3 Å²	102.3	62%	0.622	54%	0.535	S	S	*	.	H	α-helix	trans	-60	-45.1	177.4	-174.6	171.3	-177.7	172.8	0	112.1	A145 A146 E147 R151 C152 D153	A145-K149 WeakPolarHBondContact O-CB 3.3Å; A145-K149 PolarHBondContact O-N 2.64Å; A145-K149 VanDerWaalsContact O-N 3.1Å; A146-K149 PolarHBondContact O-N 3.31Å; E147-K149 PolarHBondContact O-N 2.86Å; K149-R151 VanDerWaalsContact C-N 3.27Å; K149-R151 PolarHBondContact O-N 2.85Å; K149-C152 PolarHBondContact O-N 2.82Å; K149-D153 PolarHBondContact O-N 3.41Å
150	A	94.4	Very high	93.2	Very high	61 Å²	61	100.5 Å²	100.5	50%	0.504	53%	0.529	S	S	.	.	H	α-helix	trans	-60.4	-37.4	176.8	0	0	0	0	0	112.3	A146 E147 F148 L154	A146-A150 PolarHBondContact O-N 2.79Å; A146-A150 VanDerWaalsContact O-N 3.12Å; E147-A150 PolarHBondContact O-N 3.47Å; F148-A150 PolarHBondContact O-N 3.49Å; A150-L154 PolarHBondContact O-N 2.87Å
151	R	95.1	Very high	93	Very high	176 Å²	176	99.9 Å²	99.9	66%	0.664	53%	0.528	S	S	*	.	H	α-helix	trans	-68.2	-41.3	176.7	-170	177.6	-76.7	175.2	-2.9	112.2	E147 F148 K149 L154 L155	E147-R151 PolarHBondContact O-N 3Å; E147-R151 VanDerWaalsContact O-N 3.15Å; F148-R151 PolarHBondContact O-N 3.38Å; F148-R151 VanDerWaalsContact O-N 3.16Å; K149-R151 VanDerWaalsContact C-N 3.27Å; K149-R151 PolarHBondContact O-N 2.85Å; R151-L154 PolarHBondContact O-N 2.93Å; R151-L155 HydrophobicContact CG-CD1 4.47Å; R151-L155 PolarHBondContact O-N 3.09Å; R151-L155 VanDerWaalsContact O-N 3.13Å
152	C	90.8	Very high	92.8	Very high	60 Å²	60	102.3 Å²	102.3	41%	0.405	53%	0.533	S	S	.	.	H	α-helix	trans	-60.6	-43.9	174.5	-72.5	0	0	0	0	112.2	F148 K149 L154 L155 H156	F148-C152 PolarHBondContact O-N 3.45Å; K149-C152 PolarHBondContact O-N 2.82Å; C152-L154 VanDerWaalsContact C-N 3.33Å; C152-L154 PolarHBondContact O-N 3.45Å; C152-L155 PolarHBondContact O-N 2.75Å; C152-H156 WeakPolarHBondContact O-CB 3.3Å; C152-H156 PolarHBondContact O-N 2.82Å
153	D	91.4	Very high	92.4	Very high	100 Å²	100	105.4 Å²	105.4	54%	0.535	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-40.6	179.9	-69.7	-21.3	0	0	0	111.6	K149 H156 A157	K149-D153 PolarHBondContact O-N 3.41Å; D153-H156 PolarHBondContact O-N 2.86Å; D153-A157 PolarHBondContact O-N 2.63Å; D153-A157 VanDerWaalsContact O-N 3.09Å
154	L	94.9	Very high	92	Very high	110 Å²	110	104.3 Å²	104.3	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-64	-46	176.8	-176.6	66.9	0	0	0	112.4	A150 R151 C152 H156 A157 Q158	A150-L154 PolarHBondContact O-N 2.87Å; R151-L154 PolarHBondContact O-N 2.93Å; C152-L154 VanDerWaalsContact C-N 3.33Å; C152-L154 PolarHBondContact O-N 3.45Å; L154-H156 VanDerWaalsContact C-N 3.34Å; L154-A157 WeakPolarHBondContact O-CB 3.34Å; L154-A157 PolarHBondContact O-N 2.98Å; L154-Q158 PolarHBondContact O-N 3.22Å; L154-Q158 VanDerWaalsContact O-N 3.13Å
155	L	92.3	Very high	91.5	Very high	96 Å²	96	103.6 Å²	103.6	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-65.2	-39.7	178.1	-74.7	169.9	0	0	0	111.6	R151 C152 A157 Q158 V159	R151-L155 HydrophobicContact CG-CD1 4.47Å; R151-L155 PolarHBondContact O-N 3.09Å; R151-L155 VanDerWaalsContact O-N 3.13Å; C152-L155 PolarHBondContact O-N 2.75Å; L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 3.37Å; L155-Q158 PolarHBondContact O-N 3.15Å; L155-Q158 VanDerWaalsContact O-N 3.17Å; L155-V159 WeakPolarHBondContact O-CG2 3.24Å; L155-V159 PolarHBondContact O-N 3.38Å
156	H	92.4	Very high	90.8	Very high	125 Å²	125	105.3 Å²	105.3	58%	0.579	54%	0.535	S	S	*	.	H	α-helix	trans	-59.4	-41.8	175.7	-164.9	96	0	0	0	111.3	C152 D153 L154 V159 L160	C152-H156 WeakPolarHBondContact O-CB 3.3Å; C152-H156 PolarHBondContact O-N 2.82Å; D153-H156 PolarHBondContact O-N 2.86Å; L154-H156 VanDerWaalsContact C-N 3.34Å; H156-V159 PolarHBondContact O-N 3.41Å; H156-L160 WeakPolarHBondContact O-CG 3.44Å; H156-L160 PolarHBondContact O-N 2.68Å; H156-L160 VanDerWaalsContact O-N 3.13Å
157	A	93.3	Very high	89.9	Confident	55 Å²	55	108.6 Å²	108.6	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-41.5	175.2	0	0	0	0	0	112.6	D153 L154 L155 L160 Q161	D153-A157 PolarHBondContact O-N 2.63Å; D153-A157 VanDerWaalsContact O-N 3.09Å; L154-A157 WeakPolarHBondContact O-CB 3.34Å; L154-A157 PolarHBondContact O-N 2.98Å; L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 3.37Å; A157-L160 PolarHBondContact O-N 3.43Å; A157-Q161 PolarHBondContact O-N 3.19Å
158	Q	90.9	Very high	89	Confident	97 Å²	97	108 Å²	108	45%	0.453	54%	0.544	S	S	.	.	H	α-helix	trans	-64.4	-40.9	177	-70.6	179.5	-0.2	0	0	112.6	L154 L155 L160 Q161 L162	L154-Q158 PolarHBondContact O-N 3.22Å; L154-Q158 VanDerWaalsContact O-N 3.13Å; L155-Q158 PolarHBondContact O-N 3.15Å; L155-Q158 VanDerWaalsContact O-N 3.17Å; Q158-L160 VanDerWaalsContact C-N 3.32Å; Q158-L160 PolarHBondContact O-N 3.4Å; Q158-Q161 PolarHBondContact O-N 3.24Å; Q158-L162 WeakPolarHBondContact O-CG 3.38Å; Q158-L162 PolarHBondContact O-N 2.78Å
159	V	91	Very high	87.9	Confident	94 Å²	94	106.4 Å²	106.4	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-62.5	-41.6	176.7	170.5	0	0	0	0	111.1	L155 H156 Q161 L162 R163	L155-V159 WeakPolarHBondContact O-CG2 3.24Å; L155-V159 PolarHBondContact O-N 3.38Å; H156-V159 PolarHBondContact O-N 3.41Å; V159-Q161 VanDerWaalsContact C-N 3.34Å; V159-L162 PolarHBondContact O-N 2.62Å; V159-R163 WeakPolarHBondContact O-CB 3.4Å; V159-R163 PolarHBondContact O-N 2.77Å
160	L	92.1	Very high	86.4	Confident	97 Å²	97	106.5 Å²	106.5	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-42.6	175.5	-70.7	174.5	0	0	0	111.6	H156 A157 Q158 R163 D164	H156-L160 WeakPolarHBondContact O-CG 3.44Å; H156-L160 PolarHBondContact O-N 2.68Å; H156-L160 VanDerWaalsContact O-N 3.13Å; A157-L160 PolarHBondContact O-N 3.43Å; Q158-L160 VanDerWaalsContact C-N 3.32Å; Q158-L160 PolarHBondContact O-N 3.4Å; L160-R163 PolarHBondContact O-N 3Å; L160-D164 PolarHBondContact O-N 3.35Å; L160-D164 VanDerWaalsContact O-N 3.16Å
161	Q	91.1	Very high	84.1	Confident	120 Å²	120	107.1 Å²	107.1	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-62.1	-49.5	177.1	-173.1	-177.9	-12.3	0	0	112	A157 Q158 V159 R163 D164 E165	A157-Q161 PolarHBondContact O-N 3.19Å; Q158-Q161 PolarHBondContact O-N 3.24Å; V159-Q161 VanDerWaalsContact C-N 3.34Å; Q161-R163 PolarHBondContact O-N 3.22Å; Q161-D164 PolarHBondContact O-N 2.83Å; Q161-D164 VanDerWaalsContact O-N 3.15Å; Q161-E165 PolarHBondContact NE2-OE1 2.85Å; Q161-E165 PolarHBondContact O-N 3.35Å
162	L	88.7	Confident	81.9	Confident	103 Å²	103	106.2 Å²	106.2	54%	0.539	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-32.9	178.8	-73.5	169.9	0	0	0	112.5	Q158 V159 E165 L166	Q158-L162 WeakPolarHBondContact O-CG 3.38Å; Q158-L162 PolarHBondContact O-N 2.78Å; V159-L162 PolarHBondContact O-N 2.62Å; L162-E165 PolarHBondContact O-N 2.96Å; L162-L166 WeakPolarHBondContact O-CB 3.44Å; L162-L166 PolarHBondContact O-N 2.85Å
163	R	86.4	Confident	79.5	Confident	169 Å²	169	108.7 Å²	108.7	64%	0.638	58%	0.582	S	S	*	*	H	α-helix	trans	-67	-40.2	176.4	-169.7	178.9	-169.1	146.7	3.4	111.9	V159 L160 Q161 L166 Q167	V159-R163 WeakPolarHBondContact O-CB 3.4Å; V159-R163 PolarHBondContact O-N 2.77Å; L160-R163 PolarHBondContact O-N 3Å; Q161-R163 PolarHBondContact O-N 3.22Å; R163-L166 PolarHBondContact O-N 2.81Å; R163-Q167 WeakPolarHBondContact O-CG 3.35Å; R163-Q167 PolarHBondContact O-N 3.11Å; R163-Q167 VanDerWaalsContact O-N 3.09Å
164	D	85.7	Confident	77	Confident	98 Å²	98	114 Å²	114	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-67.9	-41.3	175.7	-166.5	60.2	0	0	0	111.2	L160 Q161 L166 Q167 T168	L160-D164 PolarHBondContact O-N 3.35Å; L160-D164 VanDerWaalsContact O-N 3.16Å; Q161-D164 PolarHBondContact O-N 2.83Å; Q161-D164 VanDerWaalsContact O-N 3.15Å; D164-L166 VanDerWaalsContact C-N 3.35Å; D164-L166 PolarHBondContact O-N 3.36Å; D164-Q167 PolarHBondContact O-N 3.32Å; D164-Q167 VanDerWaalsContact O-N 3.16Å; D164-T168 PolarHBondContact O-N 3.21Å; D164-T168 PolarHBondContact O-OG1 2.91Å
165	E	84.4	Confident	74.4	Confident	90 Å²	90	114.9 Å²	114.9	42%	0.421	61%	0.61	S	S	.	*	H	α-helix	trans	-61.7	-39.4	173.5	-73.3	178.2	-166.8	0	0	112.5	Q161 L162 Q167 T168 T169	Q161-E165 PolarHBondContact NE2-OE1 2.85Å; Q161-E165 PolarHBondContact O-N 3.35Å; L162-E165 PolarHBondContact O-N 2.96Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-T168 VanDerWaalsContact CA-OG1 3.28Å; E165-T168 WeakPolarHBondContact CA-OG1 3.4Å; E165-T168 PolarHBondContact O-N 3.45Å; E165-T168 PolarHBondContact O-OG1 3.5Å; E165-T169 WeakPolarHBondContact O-CB 3.39Å; E165-T169 WeakPolarHBondContact O-CG2 3.25Å; E165-T169 PolarHBondContact O-N 3.01Å; E165-T169 PolarHBondContact O-OG1 3.21Å
166	L	78.9	Confident	71.7	Confident	98 Å²	98	119.4 Å²	119.4	51%	0.513	63%	0.628	S	S	.	*	H	α-helix	trans	-67.7	-33.5	174.6	-93.7	166	0	0	0	112.8	L162 R163 D164 T169 K170	L162-L166 WeakPolarHBondContact O-CB 3.44Å; L162-L166 PolarHBondContact O-N 2.85Å; R163-L166 PolarHBondContact O-N 2.81Å; D164-L166 VanDerWaalsContact C-N 3.35Å; D164-L166 PolarHBondContact O-N 3.36Å; L166-T169 WeakPolarHBondContact CA-OG1 3.47Å; L166-T169 PolarHBondContact O-OG1 2.78Å; L166-K170 WeakPolarHBondContact O-CB 3.36Å; L166-K170 PolarHBondContact O-N 2.85Å
167	Q	74.6	Confident	69	Low	131 Å²	131	118.8 Å²	118.8	61%	0.612	64%	0.639	S	S	*	*	H	α-helix	trans	-71.7	-35.5	175.1	-79.5	-175.7	-11	0	0	112.2	R163 D164 E165	R163-Q167 WeakPolarHBondContact O-CG 3.35Å; R163-Q167 PolarHBondContact O-N 3.11Å; R163-Q167 VanDerWaalsContact O-N 3.09Å; D164-Q167 PolarHBondContact O-N 3.32Å; D164-Q167 VanDerWaalsContact O-N 3.16Å; E165-Q167 VanDerWaalsContact C-N 3.34Å
168	T	76.5	Confident	65.9	Low	101 Å²	101	121 Å²	121	62%	0.62	65%	0.651	S	S	*	*	H	α-helix	trans	-77	-35.4	178.4	46.2	0	0	0	0	112.8	D164 E165	D164-T168 PolarHBondContact O-N 3.21Å; D164-T168 PolarHBondContact O-OG1 2.91Å; E165-T168 VanDerWaalsContact CA-OG1 3.28Å; E165-T168 WeakPolarHBondContact CA-OG1 3.4Å; E165-T168 PolarHBondContact O-N 3.45Å; E165-T168 PolarHBondContact O-OG1 3.5Å
169	T	67.9	Low	63.2	Low	110 Å²	110	123.9 Å²	123.9	68%	0.675	67%	0.668	S	S	*	*	H	α-helix	trans	-76	-30.4	177	48.4	0	0	0	0	113.5	E165 L166 G171	E165-T169 WeakPolarHBondContact O-CB 3.39Å; E165-T169 WeakPolarHBondContact O-CG2 3.25Å; E165-T169 PolarHBondContact O-N 3.01Å; E165-T169 PolarHBondContact O-OG1 3.21Å; L166-T169 WeakPolarHBondContact CA-OG1 3.47Å; L166-T169 PolarHBondContact O-OG1 2.78Å; T169-G171 PolarHBondContact O-N 3.1Å
170	K	60.7	Low	60.6	Low	146 Å²	146	127.7 Å²	127.7	64%	0.635	69%	0.685	S	S	*	*	S	Bend	trans	-90.2	77.2	172.1	-69.1	-176.5	177.8	179.5	0	110.9	L166 L172	L166-K170 WeakPolarHBondContact O-CB 3.36Å; L166-K170 PolarHBondContact O-N 2.85Å; K170-L172 VanDerWaalsContact C-N 3.33Å; K170-L172 PolarHBondContact O-N 2.87Å
171	G	47.2	Very low	57.7	Low	74 Å²	74	130.7 Å²	130.7	76%	0.763	70%	0.696	S	S	*	*			trans	-64.9	86.6	167.4	0	0	0	0	0	112.3	T169	T169-G171 PolarHBondContact O-N 3.1Å
172	L	48.4	Very low	54.7	Low	157 Å²	157	131.5 Å²	131.5	82%	0.822	70%	0.704	S	S	*	*			trans	-146.9	142.7	169.1	-94.3	143.5	0	0	0	110.6	K170	K170-L172 VanDerWaalsContact C-N 3.33Å; K170-L172 PolarHBondContact O-N 2.87Å
173	P	41.4	Very low	51.8	Low	111 Å²	111	132.5 Å²	132.5	72%	0.721	72%	0.715	S	S	*	*			trans	-80.7	154.9	-166	33.7	-32.7	0	0	0	112.7	V175	P173-V175 PolarHBondContact O-N 2.86Å
174	K	38.7	Very low	49.1	Very low	212 Å²	212	129.5 Å²	129.5	92%	0.922	72%	0.72	S	S	*	*			trans	-46.9	118.6	176.1	-72.3	176.2	175.5	175.9	0	112
175	V	40.2	Very low	46.3	Very low	129 Å²	129	134 Å²	134	78%	0.782	74%	0.737	S	S	*	*			trans	-109.3	113.1	158.2	176.5	0	0	0	0	108.1	P173	P173-V175 PolarHBondContact O-N 2.86Å
176	Q	34.3	Very low	43.8	Very low	190 Å²	190	137.2 Å²	137.2	89%	0.888	76%	0.756	S	S	*	*			trans	-62.4	131.3	158.9	-82.5	167.4	-40.1	0	0	108.9
177	S	35.6	Very low	41.6	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	76%	0.758	S	S	*	*			trans	-142.3	101.6	153.9	66.4	0	0	0	0	109.7
178	S	29.9	Very low	39.2	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	77%	0.765	S	S	*	*			trans	-72.3	141.3	159.8	48.2	0	0	0	0	110.6
179	L	33.1	Very low	37	Very low	157 Å²	157	142.6 Å²	142.6	82%	0.822	78%	0.777	S	S	*	*			trans	71.1	111.8	156.9	-65.4	144.9	0	0	0	117.6
180	L	36.5	Very low	35.2	Very low	175 Å²	175	145.8 Å²	145.8	92%	0.916	78%	0.782	S	S	*	*				-162.2	143.4	117.1	-97.9	163.1	0	0	0	110.7
181	Q	31.5	Very low	33.8	Very low	160 Å²	160	143.3 Å²	143.3	75%	0.748	79%	0.788	S	S	*	*			trans	-77.1	163.1	-174.6	-71.1	161.6	-47.2	0	0	113.2
182	N	27.7	Very low	32.9	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	79%	0.79	S	S	*	*			trans	92.7	111	142.7	-75	-5.5	0	0	0	121.3
183	T	27.9	Very low	32.2	Very low	125 Å²	125	142.7 Å²	142.7	77%	0.767	79%	0.785	S	S	*	*				74.7	111	126.1	58.9	0	0	0	0	120.4
184	S	29.9	Very low	31.6	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	79%	0.789	S	S	*	*				-166.2	107.9	124.8	17	0	0	0	0	106.9
185	E	26.1	Very low	31.4	Very low	191 Å²	191	139.8 Å²	139.8	89%	0.893	78%	0.783	S	S	*	*				67.1	88.3	101.9	-69.8	-170.3	-177.9	0	0	113.1
186	I	32.8	Very low	31	Very low	159 Å²	159	137.2 Å²	137.2	82%	0.815	78%	0.782	S	S	*	*			trans	-122.4	95.8	155.8	-65.5	178	0	0	0	107.5
187	S	32.7	Very low	31.2	Very low	80 Å²	80	133.5 Å²	133.5	56%	0.559	78%	0.778	S	S	*	*			trans	22.5	110.9	143.5	55.9	0	0	0	0	118.5	Y189	S187-Y189 PolarHBondContact O-N 2.84Å
188	N	24.9	Very low	31.7	Very low	141 Å²	141	131.8 Å²	131.8	75%	0.754	76%	0.762	S	S	*	*			trans	-24.1	112.5	145.6	-74.5	-45.2	0	0	0	114.6
189	Y	29.6	Very low	32.9	Very low	221 Å²	221	130 Å²	130	87%	0.867	76%	0.76	S	S	*	*			trans	-104.1	87.9	143.7	-72.7	-81	0	0	0	107.5	S187 A191	S187-Y189 PolarHBondContact O-N 2.84Å; Y189-A191 PolarHBondContact O-N 2.8Å
190	K	30.7	Very low	34.6	Very low	178 Å²	178	124.1 Å²	124.1	77%	0.774	73%	0.728	S	S	*	*			trans	-69.8	106.6	164.3	-79.9	-175.5	175.4	-179.2	0	107.4	S192	K190-S192 PolarHBondContact O-N 2.84Å; K190-S192 VanDerWaalsContact O-N 3.12Å
191	A	31.3	Very low	36.7	Very low	94 Å²	94	119.1 Å²	119.1	78%	0.777	70%	0.702	S	S	*	*			trans	-65.6	103.2	154.5	0	0	0	0	0	107.2	Y189 S193	Y189-A191 PolarHBondContact O-N 2.8Å; A191-S193 PolarHBondContact O-N 3.48Å
192	S	28.3	Very low	39.4	Very low	114 Å²	114	111.9 Å²	111.9	80%	0.797	67%	0.671	S	S	*	*			trans	-74.8	80.5	168.3	51	0	0	0	0	108.9	K190 S194	K190-S192 PolarHBondContact O-N 2.84Å; K190-S192 VanDerWaalsContact O-N 3.12Å; S192-S194 PolarHBondContact O-N 2.94Å
193	S	32.4	Very low	42.5	Very low	103 Å²	103	110.4 Å²	110.4	72%	0.72	66%	0.659	S	S	*	*			trans	-79.8	97.8	151.7	55.7	0	0	0	0	107	A191 D195	A191-S193 PolarHBondContact O-N 3.48Å; S193-D195 PolarHBondContact O-N 2.88Å
194	S	29.8	Very low	45.7	Very low	115 Å²	115	104.6 Å²	104.6	80%	0.804	62%	0.624	S	S	*	*			trans	-69.3	83.2	160.4	53.9	0	0	0	0	108.2	S192	S192-S194 PolarHBondContact O-N 2.94Å
195	D	33.6	Very low	48.9	Very low	147 Å²	147	100.9 Å²	100.9	79%	0.786	60%	0.596	S	S	*	*			trans	-118.6	115	156.7	-102.7	-18.2	0	0	0	107	S193 S197	S193-D195 PolarHBondContact O-N 2.88Å; D195-S197 PolarHBondContact O-N 3.34Å
196	G	33.3	Very low	52.3	Low	75 Å²	75	95.3 Å²	95.3	77%	0.773	57%	0.572	S	S	*	*			trans	-61.4	98.5	176.2	0	0	0	0	0	109.1	T198	G196-T198 PolarHBondContact O-N 3.14Å
197	S	37.3	Very low	55.3	Low	113 Å²	113	90.4 Å²	90.4	79%	0.79	55%	0.549	S	S	*	.			trans	-68.2	83.7	165.2	66.1	0	0	0	0	108	D195 G199	D195-S197 PolarHBondContact O-N 3.34Å; S197-G199 PolarHBondContact O-N 2.74Å; S197-G199 VanDerWaalsContact O-N 3.08Å
198	T	46.6	Very low	58.4	Low	77 Å²	77	89.1 Å²	89.1	47%	0.472	54%	0.536	S	S	.	.			trans	-58	111.7	151.2	45.8	0	0	0	0	105.4	G196 F200	G196-T198 PolarHBondContact O-N 3.14Å; T198-F200 WeakPolarHBondContact O-CD2 3.26Å; T198-F200 WeakPolarHBondContact O-CE2 3.34Å; T198-F200 WeakPolarHBondContact O-CG 3.28Å; T198-F200 PolarHBondContact O-N 2.87Å; T198-F200 WeakPolarHBondContact OG1-CE2 3.47Å; T198-F200 WeakPolarHBondContact OG1-CZ 3.45Å
199	G	55.4	Low	61.8	Low	64 Å²	64	84.2 Å²	84.2	66%	0.66	51%	0.512	S	S	*	.			trans	-55.8	104.5	-174.9	0	0	0	0	0	110.8	S197	S197-G199 PolarHBondContact O-N 2.74Å; S197-G199 VanDerWaalsContact O-N 3.08Å
200	F	68.4	Low	65	Low	32 Å²	32	74.9 Å²	74.9	14%	0.14	48%	0.477	C	S	.	.			trans	-100.1	129.9	170.3	-60.5	-72.9	0	0	0	107.8	T198 G202 M554 Q600	T198-F200 WeakPolarHBondContact O-CD2 3.26Å; T198-F200 WeakPolarHBondContact O-CE2 3.34Å; T198-F200 WeakPolarHBondContact O-CG 3.28Å; T198-F200 PolarHBondContact O-N 2.87Å; T198-F200 WeakPolarHBondContact OG1-CE2 3.47Å; T198-F200 WeakPolarHBondContact OG1-CZ 3.45Å; F200-G202 PolarHBondContact O-N 2.76Å; F200-M554 HydrophobicContact CD1-CB 4.41Å; F200-M554 HydrophobicContact CD1-CE 3.73Å; F200-M554 HydrophobicContact CD1-CG 4.06Å; F200-M554 HydrophobicContact CE1-CB 4.11Å; F200-M554 HydrophobicContact CE1-CE 4.2Å; F200-M554 HydrophobicContact CE1-CG 3.57Å; F200-M554 HydrophobicContact CE1-SD 4.48Å; F200-M554 HydrophobicContact CE2-CB 4.37Å; F200-M554 HydrophobicContact CG-CE 4.35Å; F200-M554 HydrophobicContact CZ-CB 4.1Å; F200-M554 HydrophobicContact CZ-CG 3.91Å; F200-Q600 PolarHBondContact O-NE2 3.16Å
201	D	81.6	Confident	68.1	Low	70 Å²	70	70.5 Å²	70.5	37%	0.374	46%	0.461	S	S	.	.	S	Bend	trans	-59.3	-16.1	-177.6	-175.9	23.2	0	0	0	113.8	T599 Q600	D201-T599 VanDerWaalsContact O-CA 3.25Å; D201-T599 WeakPolarHBondContact O-CA 3.36Å; D201-T599 WeakPolarHBondContact O-CB 3.35Å; D201-Q600 PolarHBondContact O-N 2.61Å
202	G	88.1	Confident	71.2	Confident	9 Å²	9	66.5 Å²	66.5	9%	0.093	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	-175.2	176.6	0	0	0	0	0	113.7	F200 W597 R598	F200-G202 PolarHBondContact O-N 2.76Å; G202-W597 WeakPolarHBondContact O-CH2 3.46Å; G202-R598 CarbonylContact C-O 3.55Å; G202-R598 WeakPolarHBondContact CA-O 3.4Å
203	Q	92.6	Very high	74.2	Confident	105 Å²	105	61.1 Å²	61.1	49%	0.491	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.8	178.7	66.4	179.9	17.1	0	0	111.3	T205 R598	Q203-T205 HydrophobicContact CG-CG2 4.02Å; Q203-R598 PolarHBondContact N-O 3.29Å; Q203-R598 PolarHBondContact O-N 2.93Å
204	F	95.3	Very high	76.8	Confident	3 Å²	3	59.8 Å²	59.8	1%	0.013	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.4	170.7	-79.9	-75	0	0	0	110	I545 Q555 L557 L584 Y595 W597	F204-I545 HydrophobicContact CB-CD1 4.32Å; F204-I545 HydrophobicContact CD2-CD1 3.51Å; F204-I545 HydrophobicContact CE2-CD1 4.23Å; F204-I545 HydrophobicContact CG-CD1 4.25Å; F204-Q555 PolarHBondContact O-NE2 2.88Å; F204-L557 HydrophobicContact CB-CD1 4.44Å; F204-L557 HydrophobicContact CB-CD2 4.13Å; F204-L584 HydrophobicContact CD1-CB 3.76Å; F204-L584 HydrophobicContact CD2-CD2 4.33Å; F204-L584 HydrophobicContact CE1-CB 3.65Å; F204-L584 HydrophobicContact CE2-CD2 4.5Å; F204-L584 HydrophobicContact CG-CB 4.37Å; F204-L584 HydrophobicContact CG-CD2 4.33Å; F204-L584 HydrophobicContact CZ-CB 4.16Å; F204-Y595 HydrophobicContact CB-CD1 4.28Å; F204-W597 HydrophobicContact CD1-CB 4.3Å; F204-W597 HydrophobicContact CD1-CE3 4.32Å; F204-W597 AromaticContact CD2-CE3 3.57Å; F204-W597 HydrophobicContact CD2-CE3 3.57Å; F204-W597 AromaticContact CD2-CZ3 3.82Å; F204-W597 HydrophobicContact CD2-CZ3 3.82Å; F204-W597 HydrophobicContact CE1-CB 3.99Å; F204-W597 HydrophobicContact CE1-CE3 4.28Å; F204-W597 AromaticContact CE2-CE3 3.55Å; F204-W597 HydrophobicContact CE2-CE3 3.55Å; F204-W597 AromaticContact CE2-CZ3 3.86Å; F204-W597 HydrophobicContact CE2-CZ3 3.86Å; F204-W597 AromaticContact CG-CE3 3.98Å; F204-W597 HydrophobicContact CG-CE3 3.98Å; F204-W597 HydrophobicContact CZ-CB 4.44Å; F204-W597 AromaticContact CZ-CE3 3.92Å; F204-W597 HydrophobicContact CZ-CE3 3.92Å
205	T	96.2	Very high	79.5	Confident	28 Å²	28	56.9 Å²	56.9	17%	0.172	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.1	-179.7	56.5	0	0	0	0	110.1	Q203 V207 Y595 M596 R598	Q203-T205 HydrophobicContact CG-CG2 4.02Å; T205-V207 PolarHBondContact O-N 3.1Å; T205-Y595 VanDerWaalsContact C-CD1 3.46Å; T205-Y595 CarbonylContact O-C 3.47Å; T205-Y595 WeakPolarHBondContact O-CA 3.39Å; T205-M596 PolarHBondContact N-O 2.88Å; T205-M596 PolarHBondContact O-N 2.84Å; T205-M596 PolarHBondContact OG1-O 2.85Å; T205-R598 HydrophobicContact CG2-CB 4.28Å; T205-R598 HydrophobicContact CG2-CG 3.96Å; T205-R598 WeakPolarHBondContact OG1-CG 3.46Å
206	L	97.3	Very high	82.2	Confident	73 Å²	73	49.9 Å²	49.9	38%	0.382	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.6	177.2	-178.5	70.6	0	0	0	108.7	P560 H593 Y595	L206-P560 HydrophobicContact CD2-CG 4.19Å; L206-H593 HydrophobicContact CD1-CB 4.03Å; L206-Y595 HydrophobicContact CB-CD1 4.08Å; L206-Y595 HydrophobicContact CB-CE1 3.61Å; L206-Y595 HydrophobicContact CB-CE2 4.49Å; L206-Y595 HydrophobicContact CD1-CD2 4.08Å; L206-Y595 HydrophobicContact CD1-CE1 4.24Å; L206-Y595 HydrophobicContact CD1-CE2 3.55Å; L206-Y595 VanDerWaalsContact N-CD1 3.28Å
207	V	96.6	Very high	85	Confident	56 Å²	56	48.8 Å²	48.8	34%	0.339	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-32	178.1	-65.1	0	0	0	0	113	T205 F594 M596	T205-V207 PolarHBondContact O-N 3.1Å; V207-F594 HydrophobicContact CG2-CB 3.81Å; V207-F594 VanDerWaalsContact CG2-O 3.32Å; V207-F594 WeakPolarHBondContact CG2-O 3.12Å; V207-F594 PolarHBondContact N-O 2.68Å; V207-M596 HydrophobicContact CB-CG 4.26Å; V207-M596 HydrophobicContact CG1-CB 3.82Å; V207-M596 HydrophobicContact CG1-CG 3.66Å; V207-M596 HydrophobicContact CG2-CB 4.49Å; V207-M596 HydrophobicContact CG2-CG 3.6Å
208	N	96.7	Very high	87.9	Confident	53 Å²	53	43.5 Å²	43.5	28%	0.283	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	157.2	-176.9	-165.6	7.9	0	0	0	111.2	Q254 F594	N208-Q254 HydrophobicContact CB-CB 4.45Å; N208-Q254 VanDerWaalsContact ND2-CB 3.34Å; N208-Q254 WeakPolarHBondContact ND2-CB 3.47Å; N208-Q254 PolarHBondContact ND2-O 3.46Å; N208-Q254 VanDerWaalsContact ND2-O 3.15Å; N208-F594 HydrophobicContact CB-CB 4.29Å; N208-F594 HydrophobicContact CB-CD2 4.47Å; N208-F594 PolarHBondContact N-O 3.4Å; N208-F594 PolarHBondContact O-N 3.48Å
209	T	97.6	Very high	90.3	Very high	38 Å²	38	41.8 Å²	41.8	23%	0.233	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.4	175.9	-71.6	0	0	0	0	108.7	P560 M591 L592 H593	T209-P560 HydrophobicContact CG2-CG 4.45Å; T209-M591 HydrophobicContact CG2-CB 4.48Å; T209-M591 HydrophobicContact CG2-CE 3.53Å; T209-L592 CarbonylContact C-O 3.56Å; T209-L592 WeakPolarHBondContact CA-O 3.38Å; T209-H593 VanDerWaalsContact CG2-ND1 3.28Å; T209-H593 WeakPolarHBondContact CG2-ND1 3.31Å; T209-H593 PolarHBondContact OG1-ND1 3.48Å
210	L	96.4	Very high	92.3	Very high	26 Å²	26	38.8 Å²	38.8	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.1	-178.3	-58.6	-179.2	0	0	0	110.7	I212 V249 Q254 L256 M591 L592 F594	L210-I212 HydrophobicContact CB-CD1 4.22Å; L210-I212 PolarHBondContact O-N 3.13Å; L210-V249 HydrophobicContact CD1-CG1 3.74Å; L210-Q254 WeakPolarHBondContact CD1-O 3.32Å; L210-Q254 WeakPolarHBondContact CD2-O 3.43Å; L210-L256 HydrophobicContact CB-CD2 4.41Å; L210-L256 HydrophobicContact CD1-CD2 3.98Å; L210-M591 CarbonylContact O-C 3.59Å; L210-M591 WeakPolarHBondContact O-CA 2.89Å; L210-L592 PolarHBondContact N-O 3.07Å; L210-L592 PolarHBondContact O-N 3.3Å; L210-F594 HydrophobicContact CD1-CE2 3.7Å; L210-F594 HydrophobicContact CD1-CZ 4.36Å; L210-F594 HydrophobicContact CG-CE2 4.08Å
211	L	95.7	Very high	93.7	Very high	85 Å²	85	37.9 Å²	37.9	45%	0.445	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	112.9	166.2	176.8	61.4	0	0	0	109.6	V214 R590 M591	L211-V214 HydrophobicContact CD2-CG2 4.09Å; L211-R590 HydrophobicContact CD1-CB 4.21Å; L211-M591 VanDerWaalsContact CA-SD 3.57Å; L211-M591 HydrophobicContact CB-CE 4.15Å; L211-M591 HydrophobicContact CB-SD 3.76Å; L211-M591 HydrophobicContact CD1-SD 3.38Å; L211-M591 WeakPolarHBondContact CD1-SD 3.45Å; L211-M591 HydrophobicContact CG-SD 4.15Å
212	I	95.5	Very high	94.5	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.051	19%	0.194	C	C	.	.			trans	-87.5	-49.9	179.4	-56.2	-54.4	0	0	0	110.9	L210 C218 V232 Q234 R247 V249 L256 R590 L592	L210-I212 HydrophobicContact CB-CD1 4.22Å; L210-I212 PolarHBondContact O-N 3.13Å; I212-C218 VanDerWaalsContact CG2-SG 3.56Å; I212-V232 HydrophobicContact CG2-CB 4.32Å; I212-V232 HydrophobicContact CG2-CG1 3.98Å; I212-Q234 HydrophobicContact CG2-CB 4.36Å; I212-Q234 VanDerWaalsContact CG2-OE1 3.29Å; I212-Q234 PolarHBondContact O-OE1 2.76Å; I212-Q234 VanDerWaalsContact O-OE1 3.13Å; I212-R247 HydrophobicContact CG2-CB 4.16Å; I212-R247 HydrophobicContact CG2-CG 4.29Å; I212-V249 HydrophobicContact CD1-CG2 4.19Å; I212-L256 HydrophobicContact CD1-CD2 3.54Å; I212-R590 WeakPolarHBondContact CA-O 3.29Å; I212-R590 WeakPolarHBondContact CB-O 3.44Å; I212-R590 PolarHBondContact N-O 3.09Å; I212-L592 HydrophobicContact CD1-CB 3.74Å; I212-L592 HydrophobicContact CD1-CD2 4.07Å; I212-L592 HydrophobicContact CG1-CB 3.63Å
213	S	91.9	Very high	94.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	20%	0.201	C	C	.	.			trans	-138.7	115.5	-174.4	-176	0	0	0	0	110.9	C215 G216 R590	S213-C215 VanDerWaalsContact C-N 3.25Å; S213-C215 PolarHBondContact O-N 3.13Å; S213-G216 VanDerWaalsContact CB-O 3.3Å; S213-G216 WeakPolarHBondContact CB-O 3.19Å; S213-G216 PolarHBondContact O-N 2.87Å; S213-G216 PolarHBondContact OG-N 2.93Å; S213-G216 PolarHBondContact OG-O 3.29Å; S213-R590 PolarHBondContact N-O 3Å; S213-R590 WeakPolarHBondContact O-CB 3.48Å; S213-R590 VanDerWaalsContact O-CG 3.3Å; S213-R590 WeakPolarHBondContact O-CG 3.16Å
214	V	87.6	Confident	94.8	Very high	75 Å²	75	31.5 Å²	31.5	46%	0.455	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-39.9	174.8	-175.2	0	0	0	0	110.7	L211 G216	L211-V214 HydrophobicContact CD2-CG2 4.09Å; V214-G216 VanDerWaalsContact C-N 3.3Å; V214-G216 PolarHBondContact O-N 3.26Å
215	C	85.1	Confident	94.5	Very high	53 Å²	53	35.7 Å²	35.7	36%	0.358	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.9	-178.3	-52.4	0	0	0	0	113.5	S213 N217	S213-C215 VanDerWaalsContact C-N 3.25Å; S213-C215 PolarHBondContact O-N 3.13Å; C215-N217 PolarHBondContact O-ND2 3.5Å
216	G	91	Very high	94.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.			trans	74.3	-150.7	-176.4	0	0	0	0	0	114.6	S213 V214 C218 D589	S213-G216 VanDerWaalsContact CB-O 3.3Å; S213-G216 WeakPolarHBondContact CB-O 3.19Å; S213-G216 PolarHBondContact O-N 2.87Å; S213-G216 PolarHBondContact OG-N 2.93Å; S213-G216 PolarHBondContact OG-O 3.29Å; V214-G216 VanDerWaalsContact C-N 3.3Å; V214-G216 PolarHBondContact O-N 3.26Å; G216-C218 VanDerWaalsContact C-N 3.26Å; G216-C218 PolarHBondContact O-N 3.02Å; G216-D589 CarbonylContact C-O 3.55Å; G216-D589 VanDerWaalsContact C-O 3.28Å; G216-D589 WeakPolarHBondContact CA-O 3.19Å; G216-D589 VanDerWaalsContact CA-OD2 3.23Å; G216-D589 WeakPolarHBondContact CA-OD2 3.26Å
217	N	93	Very high	93.8	Very high	52 Å²	52	39 Å²	39	28%	0.278	21%	0.209	S	C	.	.			trans	63.1	26.9	-177.6	-54.1	-75.4	0	0	0	114.4	S46 C215 F244 D589	S46-N217 WeakPolarHBondContact CB-ND2 3.28Å; C215-N217 PolarHBondContact O-ND2 3.5Å; N217-F244 HydrophobicContact CB-CE1 4.27Å; N217-D589 WeakPolarHBondContact CA-OD1 3.42Å; N217-D589 PolarHBondContact N-O 3.05Å; N217-D589 PolarHBondContact N-OD1 2.84Å
218	C	96.9	Very high	93.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	20%	0.204	C	C	.	.			trans	-71.3	148.1	159.8	-62.1	0	0	0	0	109.8	I212 G216 V232 S233 L569 L587 D589	I212-C218 VanDerWaalsContact CG2-SG 3.56Å; G216-C218 VanDerWaalsContact C-N 3.26Å; G216-C218 PolarHBondContact O-N 3.02Å; C218-V232 HydrophobicContact CB-CG1 4.23Å; C218-S233 WeakPolarHBondContact CA-O 3.42Å; C218-L569 WeakPolarHBondContact O-CD1 3.31Å; C218-L587 HydrophobicContact CB-CD1 3.84Å; C218-L587 HydrophobicContact CB-CD2 4.11Å; C218-L587 HydrophobicContact CB-CG 4.2Å; C218-D589 VanDerWaalsContact CB-O 3.25Å; C218-D589 WeakPolarHBondContact CB-O 3.46Å; C218-D589 PolarHBondContact N-O 2.84Å; C218-D589 PolarHBondContact SG-O 3.05Å
219	R	97.1	Very high	93.5	Very high	41 Å²	41	36.2 Å²	36.2	16%	0.155	19%	0.193	C	C	.	.			trans	-144.5	-50.7	-171.9	-173.7	62	-165.9	148.9	10.5	115.8	S233 L516	R219-S233 PolarHBondContact N-O 3.13Å; R219-S233 PolarHBondContact N-OG 3.12Å; R219-L516 PolarHBondContact NH1-O 3.44Å; R219-L516 PolarHBondContact NH2-O 3.41Å
220	V	98	Very high	93.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.182	C	C	.	.			trans	-133.2	154.3	-175.6	-69.2	0	0	0	0	112.4	S233 I267 R268 L270 R518 D570	V220-S233 WeakPolarHBondContact CG2-OG 3.32Å; V220-S233 PolarHBondContact N-OG 3.4Å; V220-S233 PolarHBondContact O-N 3.49Å; V220-S233 PolarHBondContact O-OG 2.8Å; V220-I267 HydrophobicContact CG2-CG2 4.13Å; V220-R268 VanDerWaalsContact CG1-O 3.22Å; V220-R268 WeakPolarHBondContact CG1-O 3.17Å; V220-L270 HydrophobicContact CG2-CB 4.43Å; V220-L270 HydrophobicContact CG2-CD1 3.9Å; V220-L270 HydrophobicContact CG2-CG 3.79Å; V220-R518 VanDerWaalsContact CG1-NH1 3.31Å; V220-D570 VanDerWaalsContact CA-OD2 3.24Å; V220-D570 WeakPolarHBondContact CA-OD2 3.44Å
221	M	98.3	Very high	93.6	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.069	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.2	176.4	-62.1	-168.3	-74.8	0	0	112.2	L230 C231 V232 D570 C572 L587 L592	M221-L230 HydrophobicContact CB-CD1 4.18Å; M221-L230 HydrophobicContact SD-CD1 4.41Å; M221-L230 HydrophobicContact SD-CD2 4.14Å; M221-C231 VanDerWaalsContact CA-O 3.25Å; M221-C231 WeakPolarHBondContact CA-O 3.35Å; M221-V232 HydrophobicContact CG-CG2 4.16Å; M221-V232 HydrophobicContact SD-CG2 4.4Å; M221-D570 HydrophobicContact CE-CB 4.05Å; M221-D570 VanDerWaalsContact CE-O 3.3Å; M221-D570 WeakPolarHBondContact CE-O 3.16Å; M221-D570 PolarHBondContact N-OD2 3.14Å; M221-C572 HydrophobicContact CB-CB 3.85Å; M221-C572 HydrophobicContact CE-CB 3.66Å; M221-C572 HydrophobicContact SD-CB 4.18Å; M221-L587 HydrophobicContact CE-CB 3.56Å; M221-L587 HydrophobicContact CG-CB 4.04Å; M221-L587 HydrophobicContact CG-CD2 3.66Å; M221-L587 HydrophobicContact CG-CG 4.35Å; M221-L587 HydrophobicContact SD-CB 3.67Å; M221-L587 HydrophobicContact SD-CD2 4.37Å; M221-L587 HydrophobicContact SD-CG 4.44Å; M221-L592 HydrophobicContact SD-CD1 3.44Å; M221-L592 WeakPolarHBondContact SD-CD1 3.47Å
222	A	97.2	Very high	93.7	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.9	164.4	0	0	0	0	0	109.2	C231 L270 F272 I281	A222-C231 PolarHBondContact N-O 2.81Å; A222-C231 PolarHBondContact O-N 3.36Å; A222-L270 HydrophobicContact CB-CB 3.84Å; A222-F272 HydrophobicContact CB-CD2 3.7Å; A222-F272 HydrophobicContact CB-CE2 3.71Å; A222-F272 WeakPolarHBondContact O-CE2 3.43Å; A222-I281 HydrophobicContact CB-CD1 4.31Å
223	S	95.3	Very high	93.9	Very high	33 Å²	33	28.8 Å²	28.8	23%	0.231	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	145	177.2	59.4	0	0	0	0	111.7	F272	S223-F272 WeakPolarHBondContact O-CD2 3.5Å
224	C	93.1	Very high	94	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.034	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111.1	170	176.1	0	0	0	0	108.5	L227 N228 T229 F272	C224-L227 HydrophobicContact CB-CB 4.43Å; C224-L227 PolarHBondContact O-N 3.4Å; C224-N228 PolarHBondContact O-N 2.98Å; C224-T229 PolarHBondContact N-O 3.24Å; C224-T229 PolarHBondContact O-N 2.83Å; C224-F272 HydrophobicContact CB-CD1 3.82Å; C224-F272 HydrophobicContact CB-CD2 3.99Å; C224-F272 HydrophobicContact CB-CE1 3.52Å; C224-F272 HydrophobicContact CB-CE2 3.69Å; C224-F272 HydrophobicContact CB-CG 4.05Å; C224-F272 HydrophobicContact CB-CZ 3.44Å; C224-F272 VanDerWaalsContact CB-CZ 3.44Å
225	D	87.6	Confident	94.4	Very high	92 Å²	92	26.5 Å²	26.5	49%	0.492	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-37.2	-176.7	-63.6	-13.8	0	0	0	111.3	L227 N228	D225-L227 VanDerWaalsContact C-N 3.32Å; D225-L227 PolarHBondContact O-N 2.86Å; D225-N228 PolarHBondContact O-N 2.97Å
226	Y	89.2	Confident	94.7	Very high	132 Å²	132	24.8 Å²	24.8	52%	0.518	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-42.7	177.6	175.3	-107.4	0	0	0	112.5	N228 A276 H277	Y226-N228 VanDerWaalsContact C-N 3.33Å; Y226-A276 WeakPolarHBondContact CD1-O 3.45Å; Y226-H277 AromaticContact CD2-CE1 3.84Å; Y226-H277 AromaticContact CD2-ND1 3.21Å; Y226-H277 WeakPolarHBondContact CD2-ND1 3.3Å; Y226-H277 WeakPolarHBondContact CE1-O 3.44Å; Y226-H277 AromaticContact CE2-ND1 3.45Å; Y226-H277 WeakPolarHBondContact CE2-ND1 3.35Å; Y226-H277 AromaticContact CG-ND1 3.64Å
227	L	91	Very high	94.4	Very high	37 Å²	37	29.1 Å²	29.1	19%	0.194	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.8	176.8	-60.5	-177.7	0	0	0	113.2	C224 D225 T229 L295 L296	C224-L227 HydrophobicContact CB-CB 4.43Å; C224-L227 PolarHBondContact O-N 3.4Å; D225-L227 VanDerWaalsContact C-N 3.32Å; D225-L227 PolarHBondContact O-N 2.86Å; L227-T229 PolarHBondContact O-N 3.37Å; L227-T229 VanDerWaalsContact O-N 3.1Å; L227-T229 PolarHBondContact O-OG1 3.22Å; L227-L295 HydrophobicContact CD1-CB 3.7Å; L227-L295 HydrophobicContact CD1-CD1 4.36Å; L227-L296 HydrophobicContact CD2-CD2 3.55Å
228	N	91.9	Very high	93.9	Very high	44 Å²	44	29.7 Å²	29.7	24%	0.235	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	41.7	-172.2	-172.7	25.2	0	0	0	112.1	C224 D225 Y226 N250 S251 S252	C224-N228 PolarHBondContact O-N 2.98Å; D225-N228 PolarHBondContact O-N 2.97Å; Y226-N228 VanDerWaalsContact C-N 3.33Å; N228-N250 PolarHBondContact ND2-OD1 2.99Å; N228-S251 PolarHBondContact O-N 2.81Å; N228-S251 WeakPolarHBondContact OD1-CB 3.47Å; N228-S252 WeakPolarHBondContact ND2-CB 2.87Å; N228-S252 PolarHBondContact ND2-OG 3.28Å; N228-S252 PolarHBondContact OD1-N 2.83Å; N228-S252 VanDerWaalsContact OD1-N 3.1Å
229	T	94.2	Very high	92.9	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.7	-169.8	-65.4	0	0	0	0	110.2	C224 L227 K248 V249	C224-T229 PolarHBondContact N-O 3.24Å; C224-T229 PolarHBondContact O-N 2.83Å; L227-T229 PolarHBondContact O-N 3.37Å; L227-T229 VanDerWaalsContact O-N 3.1Å; L227-T229 PolarHBondContact O-OG1 3.22Å; T229-K248 HydrophobicContact CG2-CB 3.88Å; T229-K248 HydrophobicContact CG2-CG 4.05Å; T229-V249 CarbonylContact C-O 3.54Å; T229-V249 WeakPolarHBondContact CA-O 3.28Å
230	L	97.6	Very high	92	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.9	163.8	179.5	72.8	0	0	0	108.7	M221 V232 V249 S251 C572 I574 T585 L592 F594	M221-L230 HydrophobicContact CB-CD1 4.18Å; M221-L230 HydrophobicContact SD-CD1 4.41Å; M221-L230 HydrophobicContact SD-CD2 4.14Å; L230-V232 HydrophobicContact CD2-CG2 4.34Å; L230-V232 HydrophobicContact CG-CG2 4.37Å; L230-V249 HydrophobicContact CB-CB 4.35Å; L230-V249 PolarHBondContact N-O 3.49Å; L230-V249 PolarHBondContact O-N 3.42Å; L230-S251 WeakPolarHBondContact CB-OG 3.46Å; L230-S251 PolarHBondContact N-OG 3.11Å; L230-S251 VanDerWaalsContact N-OG 3.11Å; L230-C572 HydrophobicContact CD1-CB 4.17Å; L230-I574 HydrophobicContact CB-CD1 4.45Å; L230-I574 HydrophobicContact CD1-CD1 4.26Å; L230-I574 HydrophobicContact CD2-CD1 4.46Å; L230-T585 HydrophobicContact CD2-CG2 4.07Å; L230-L592 HydrophobicContact CD2-CD1 3.96Å; L230-L592 HydrophobicContact CD2-CD2 3.6Å; L230-L592 HydrophobicContact CD2-CG 4.38Å; L230-F594 HydrophobicContact CD2-CZ 4.42Å
231	C	98.2	Very high	91.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	174.5	-68.8	0	0	0	0	109.6	M221 A222 I246 R247 L270 I281 L295	M221-C231 VanDerWaalsContact CA-O 3.25Å; M221-C231 WeakPolarHBondContact CA-O 3.35Å; A222-C231 PolarHBondContact N-O 2.81Å; A222-C231 PolarHBondContact O-N 3.36Å; C231-I246 HydrophobicContact CB-CB 4.41Å; C231-I246 HydrophobicContact CB-CD1 4.41Å; C231-R247 WeakPolarHBondContact CA-O 3.18Å; C231-L270 HydrophobicContact CB-CD1 4.43Å; C231-I281 HydrophobicContact CB-CD1 3.98Å; C231-L295 WeakPolarHBondContact SG-CD1 3.36Å
232	V	98.6	Very high	90.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.4	175.4	-177.4	0	0	0	0	108.6	I212 C218 M221 L230 Q234 I246 R247 V249 L587 L592	I212-V232 HydrophobicContact CG2-CB 4.32Å; I212-V232 HydrophobicContact CG2-CG1 3.98Å; C218-V232 HydrophobicContact CB-CG1 4.23Å; M221-V232 HydrophobicContact CG-CG2 4.16Å; M221-V232 HydrophobicContact SD-CG2 4.4Å; L230-V232 HydrophobicContact CD2-CG2 4.34Å; L230-V232 HydrophobicContact CG-CG2 4.37Å; V232-Q234 PolarHBondContact O-N 3.21Å; V232-I246 CarbonylContact O-C 3.59Å; V232-I246 WeakPolarHBondContact O-CA 3.35Å; V232-R247 PolarHBondContact N-O 3.41Å; V232-R247 PolarHBondContact O-N 2.86Å; V232-V249 HydrophobicContact CG2-CG2 4.39Å; V232-L587 HydrophobicContact CG1-CD1 3.57Å; V232-L587 HydrophobicContact CG1-CD2 3.84Å; V232-L587 HydrophobicContact CG1-CG 4.37Å; V232-L592 HydrophobicContact CG2-CD2 4.16Å
233	S	98.4	Very high	90.5	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	135	172.5	68.7	0	0	0	0	109.7	C218 R219 V220 G245	C218-S233 WeakPolarHBondContact CA-O 3.42Å; R219-S233 PolarHBondContact N-O 3.13Å; R219-S233 PolarHBondContact N-OG 3.12Å; V220-S233 WeakPolarHBondContact CG2-OG 3.32Å; V220-S233 PolarHBondContact N-OG 3.4Å; V220-S233 PolarHBondContact O-N 3.49Å; V220-S233 PolarHBondContact O-OG 2.8Å; S233-G245 CarbonylContact C-O 3.56Å; S233-G245 WeakPolarHBondContact CA-O 3.42Å
234	Q	95.8	Very high	90.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.2	173.3	62.1	161.2	79.4	0	0	111.2	I212 V232 G245 R247 Y259	I212-Q234 HydrophobicContact CG2-CB 4.36Å; I212-Q234 VanDerWaalsContact CG2-OE1 3.29Å; I212-Q234 PolarHBondContact O-OE1 2.76Å; I212-Q234 VanDerWaalsContact O-OE1 3.13Å; V232-Q234 PolarHBondContact O-N 3.21Å; Q234-G245 PolarHBondContact N-O 3.02Å; Q234-G245 PolarHBondContact O-N 3.13Å; Q234-R247 HydrophobicContact CG-CB 4.18Å; Q234-R247 VanDerWaalsContact OE1-CB 3.3Å; Q234-R247 VanDerWaalsContact OE1-NE 3.09Å; Q234-Y259 HydrophobicContact CG-CD2 3.87Å; Q234-Y259 HydrophobicContact CG-CE2 3.66Å
235	S	94.2	Very high	90.8	Very high	27 Å²	27	53.6 Å²	53.6	19%	0.189	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	152.8	166.5	-168.8	0	0	0	0	111.2	G243	S235-G243 PolarHBondContact OG-O 3.41Å
236	S	91.7	Very high	91.3	Very high	17 Å²	17	49.2 Å²	49.2	12%	0.119	25%	0.246	C	C	.	.			trans	-70.5	130.4	172.5	-176.8	0	0	0	0	109.9	N238 F241 G243 Y259	S236-N238 WeakPolarHBondContact OG-CB 3.19Å; S236-N238 PolarHBondContact OG-N 3.33Å; S236-F241 WeakPolarHBondContact CB-O 3.43Å; S236-F241 PolarHBondContact OG-O 3.45Å; S236-G243 WeakPolarHBondContact CB-O 3.35Å; S236-G243 PolarHBondContact N-O 3.12Å; S236-Y259 WeakPolarHBondContact CA-OH 3.49Å; S236-Y259 WeakPolarHBondContact CB-OH 3.42Å; S236-Y259 PolarHBondContact N-OH 3.04Å
237	T	86.1	Confident	91.7	Very high	90 Å²	90	45.1 Å²	45.1	55%	0.552	23%	0.229	S	C	*	.			trans	-83	-6	169.8	56.1	0	0	0	0	112.2	P239	T237-P239 WeakPolarHBondContact O-CD 3.49Å
238	N	81.2	Confident	92	Very high	64 Å²	64	44.4 Å²	44.4	34%	0.342	22%	0.224	S	C	.	.			trans	-79.1	119.4	-178.7	-168.8	-44	0	0	0	109.9	S236 I240 F241	S236-N238 WeakPolarHBondContact OG-CB 3.19Å; S236-N238 PolarHBondContact OG-N 3.33Å; N238-I240 PolarHBondContact O-N 3.38Å; N238-I240 WeakPolarHBondContact OD1-CB 3.46Å; N238-I240 PolarHBondContact OD1-N 3.26Å; N238-F241 HydrophobicContact CB-CB 4.34Å; N238-F241 CarbonylContact O-C 3.58Å; N238-F241 PolarHBondContact O-N 3.07Å; N238-F241 PolarHBondContact OD1-N 3.47Å
239	P	76.2	Confident	92.2	Very high	106 Å²	106	42.3 Å²	42.3	69%	0.688	21%	0.213	S	C	*	.	S	Bend	trans	-67.5	-24.1	-177.9	26.5	-34	0	0	0	113.3	T237	T237-P239 WeakPolarHBondContact O-CD 3.49Å
240	I	79.1	Confident	92.3	Very high	135 Å²	135	42.8 Å²	42.8	69%	0.692	22%	0.216	S	C	*	.	S	Bend	trans	-82.5	-47	179.1	-57.7	172.8	0	0	0	110.1	N238 R242	N238-I240 PolarHBondContact O-N 3.38Å; N238-I240 WeakPolarHBondContact OD1-CB 3.46Å; N238-I240 PolarHBondContact OD1-N 3.26Å; I240-R242 PolarHBondContact O-N 3.05Å
241	F	80.6	Confident	92.1	Very high	134 Å²	134	42.9 Å²	42.9	59%	0.588	22%	0.216	S	C	*	.	S	Bend	trans	-102.1	73.5	-179.4	-59.3	-70.3	0	0	0	110.4	S236 N238	S236-F241 WeakPolarHBondContact CB-O 3.43Å; S236-F241 PolarHBondContact OG-O 3.45Å; N238-F241 HydrophobicContact CB-CB 4.34Å; N238-F241 CarbonylContact O-C 3.58Å; N238-F241 PolarHBondContact O-N 3.07Å; N238-F241 PolarHBondContact OD1-N 3.47Å
242	R	87.4	Confident	91.7	Very high	194 Å²	194	45.8 Å²	45.8	73%	0.732	24%	0.237	S	C	*	.			trans	-65.7	145.9	173	-63.7	-172.8	-178.3	-172.5	-3.2	110.4	I240 H261	I240-R242 PolarHBondContact O-N 3.05Å; R242-H261 PolarHBondContact O-CE1 3.01Å
243	G	93.8	Very high	91.5	Very high	8 Å²	8	51.1 Å²	51.1	8%	0.082	26%	0.261	C	S	.	.	S	Bend	trans	144.7	-157.7	178.6	0	0	0	0	0	111.3	S235 S236 H263	S235-G243 PolarHBondContact OG-O 3.41Å; S236-G243 WeakPolarHBondContact CB-O 3.35Å; S236-G243 PolarHBondContact N-O 3.12Å; G243-H263 CarbonylContact C-O 3.55Å; G243-H263 WeakPolarHBondContact CA-O 3.22Å
244	F	97	Very high	91.2	Very high	33 Å²	33	52.5 Å²	52.5	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.9	-173.1	-66.9	-96.9	0	0	0	110.2	N217 Y259 L262 H263 Q265 P266 I267	N217-F244 HydrophobicContact CB-CE1 4.27Å; F244-Y259 VanDerWaalsContact C-OH 3.26Å; F244-L262 PolarHBondContact O-N 2.83Å; F244-H263 HydrophobicContact CB-CB 4.42Å; F244-H263 PolarHBondContact N-O 2.89Å; F244-H263 PolarHBondContact O-N 3.49Å; F244-Q265 WeakPolarHBondContact CB-O 3.47Å; F244-Q265 VanDerWaalsContact CD2-O 3.32Å; F244-Q265 WeakPolarHBondContact CD2-O 3.24Å; F244-Q265 WeakPolarHBondContact CG-O 3.36Å; F244-P266 HydrophobicContact CD1-CB 4.37Å; F244-P266 HydrophobicContact CE1-CB 4.12Å; F244-P266 HydrophobicContact CE1-CG 3.88Å; F244-P266 HydrophobicContact CE2-CG 3.89Å; F244-P266 HydrophobicContact CZ-CB 4.25Å; F244-P266 HydrophobicContact CZ-CG 3.55Å; F244-I267 HydrophobicContact CB-CD1 4.48Å; F244-I267 HydrophobicContact CB-CG1 4.17Å
245	G	97.2	Very high	91.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	-165.4	-176.3	0	0	0	0	0	110.5	S233 Q234 Y259 V260 I267	S233-G245 CarbonylContact C-O 3.56Å; S233-G245 WeakPolarHBondContact CA-O 3.42Å; Q234-G245 PolarHBondContact N-O 3.02Å; Q234-G245 PolarHBondContact O-N 3.13Å; G245-Y259 WeakPolarHBondContact CA-OH 3.33Å; G245-Y259 PolarHBondContact N-OH 2.81Å; G245-Y259 VanDerWaalsContact N-OH 3.1Å; G245-V260 CarbonylContact C-O 3.43Å; G245-V260 WeakPolarHBondContact CA-O 2.91Å; G245-I267 WeakPolarHBondContact O-CD1 3.32Å
246	I	97.8	Very high	91.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.3	178.4	57.6	176.5	0	0	0	110.3	C231 V232 Y259 V260 L262 I267 L270 I281 L295	C231-I246 HydrophobicContact CB-CB 4.41Å; C231-I246 HydrophobicContact CB-CD1 4.41Å; V232-I246 CarbonylContact O-C 3.59Å; V232-I246 WeakPolarHBondContact O-CA 3.35Å; I246-Y259 CarbonylContact O-C 3.11Å; I246-Y259 WeakPolarHBondContact O-CA 3.5Å; I246-Y259 WeakPolarHBondContact O-CD2 3.33Å; I246-V260 HydrophobicContact CG1-CB 3.95Å; I246-V260 HydrophobicContact CG1-CG2 4.45Å; I246-V260 PolarHBondContact N-O 2.75Å; I246-V260 PolarHBondContact O-N 3.3Å; I246-L262 HydrophobicContact CB-CD1 4.46Å; I246-L262 HydrophobicContact CD1-CD1 4Å; I246-L262 HydrophobicContact CG1-CD1 3.88Å; I246-L262 HydrophobicContact CG1-CG 4.45Å; I246-L262 HydrophobicContact CG2-CD1 3.93Å; I246-I267 HydrophobicContact CG2-CD1 4.2Å; I246-L270 HydrophobicContact CG2-CD1 3.87Å; I246-L270 HydrophobicContact CG2-CD2 3.97Å; I246-I281 HydrophobicContact CD1-CG2 4.19Å; I246-L295 HydrophobicContact CD1-CD2 3.61Å
247	R	97	Very high	91.2	Very high	46 Å²	46	63.1 Å²	63.1	17%	0.174	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.1	165.5	-177.8	64.7	61.6	178.2	-0.5	108.3	I212 C231 V232 Q234 V249 L256	I212-R247 HydrophobicContact CG2-CB 4.16Å; I212-R247 HydrophobicContact CG2-CG 4.29Å; C231-R247 WeakPolarHBondContact CA-O 3.18Å; V232-R247 PolarHBondContact N-O 3.41Å; V232-R247 PolarHBondContact O-N 2.86Å; Q234-R247 HydrophobicContact CG-CB 4.18Å; Q234-R247 VanDerWaalsContact OE1-CB 3.3Å; Q234-R247 VanDerWaalsContact OE1-NE 3.09Å; R247-V249 HydrophobicContact CG-CG2 4.24Å; R247-L256 HydrophobicContact CG-CD2 4.21Å
248	K	97.1	Very high	91.5	Very high	21 Å²	21	63.7 Å²	63.7	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.4	169.3	-63	172.5	75.4	177	0	108.8	T229 I257 K258 V260 L295 D298	T229-K248 HydrophobicContact CG2-CB 3.88Å; T229-K248 HydrophobicContact CG2-CG 4.05Å; K248-I257 HydrophobicContact CB-CB 4.03Å; K248-I257 HydrophobicContact CB-CD1 4.32Å; K248-I257 WeakPolarHBondContact O-CB 3.38Å; K248-I257 PolarHBondContact O-N 3.19Å; K248-K258 PolarHBondContact N-O 2.73Å; K248-V260 HydrophobicContact CD-CG2 4.16Å; K248-L295 PolarHBondContact NZ-O 2.9Å; K248-D298 WeakPolarHBondContact CD-OD1 3.37Å; K248-D298 IonicContact NZ-OD1 3.94Å; K248-D298 PolarHBondContact NZ-OD1 3.08Å
249	V	97.7	Very high	92.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.2	175.8	-173.3	0	0	0	0	107.2	L210 I212 T229 L230 V232 R247 S251 R255 L256 L592 F594	L210-V249 HydrophobicContact CD1-CG1 3.74Å; I212-V249 HydrophobicContact CD1-CG2 4.19Å; T229-V249 CarbonylContact C-O 3.54Å; T229-V249 WeakPolarHBondContact CA-O 3.28Å; L230-V249 HydrophobicContact CB-CB 4.35Å; L230-V249 PolarHBondContact N-O 3.49Å; L230-V249 PolarHBondContact O-N 3.42Å; V232-V249 HydrophobicContact CG2-CG2 4.39Å; R247-V249 HydrophobicContact CG-CG2 4.24Å; V249-S251 PolarHBondContact O-N 2.64Å; V249-R255 CarbonylContact C-O 3.39Å; V249-R255 WeakPolarHBondContact CA-O 3.21Å; V249-R255 WeakPolarHBondContact CG1-O 3.49Å; V249-L256 HydrophobicContact CG2-CD2 3.85Å; V249-L592 HydrophobicContact CG1-CD2 4.23Å; V249-L592 HydrophobicContact CG2-CD2 4.17Å; V249-F594 HydrophobicContact CG1-CE2 4.45Å; V249-F594 HydrophobicContact CG1-CZ 3.88Å
250	N	95.4	Very high	93	Very high	19 Å²	19	58.1 Å²	58.1	10%	0.102	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	118.7	171.7	-175.2	-55.2	0	0	0	107.5	N228 S252 E253 Q254 R255 I257	N228-N250 PolarHBondContact ND2-OD1 2.99Å; N250-S252 PolarHBondContact OD1-N 2.92Å; N250-S252 VanDerWaalsContact OD1-N 3.07Å; N250-S252 PolarHBondContact OD1-OG 2.88Å; N250-S252 VanDerWaalsContact OD1-OG 3.13Å; N250-E253 HydrophobicContact CB-CB 4.21Å; N250-E253 PolarHBondContact ND2-OE2 2.87Å; N250-E253 WeakPolarHBondContact OD1-CB 3.21Å; N250-E253 PolarHBondContact OD1-N 2.92Å; N250-Q254 WeakPolarHBondContact O-CA 3.32Å; N250-Q254 PolarHBondContact O-N 2.73Å; N250-R255 HydrophobicContact CB-CG 4Å; N250-R255 PolarHBondContact N-O 2.79Å; N250-R255 PolarHBondContact O-N 2.89Å; N250-I257 HydrophobicContact CB-CD1 3.88Å; N250-I257 HydrophobicContact CB-CG1 4.08Å
251	S	93.3	Very high	93.8	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-39.5	-173.1	-61.1	0	0	0	0	112	N228 L230 V249 Q254 F576	N228-S251 PolarHBondContact O-N 2.81Å; N228-S251 WeakPolarHBondContact OD1-CB 3.47Å; L230-S251 WeakPolarHBondContact CB-OG 3.46Å; L230-S251 PolarHBondContact N-OG 3.11Å; L230-S251 VanDerWaalsContact N-OG 3.11Å; V249-S251 PolarHBondContact O-N 2.64Å; S251-Q254 WeakPolarHBondContact O-CG 3.21Å; S251-F576 VanDerWaalsContact O-CZ 3.3Å; S251-F576 WeakPolarHBondContact O-CZ 3.43Å
252	S	91.2	Very high	94.6	Very high	61 Å²	61	48.8 Å²	48.8	43%	0.427	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-43	-178.7	73.1	0	0	0	0	113.3	N228 N250 Q254	N228-S252 WeakPolarHBondContact ND2-CB 2.87Å; N228-S252 PolarHBondContact ND2-OG 3.28Å; N228-S252 PolarHBondContact OD1-N 2.83Å; N228-S252 VanDerWaalsContact OD1-N 3.1Å; N250-S252 PolarHBondContact OD1-N 2.92Å; N250-S252 VanDerWaalsContact OD1-N 3.07Å; N250-S252 PolarHBondContact OD1-OG 2.88Å; N250-S252 VanDerWaalsContact OD1-OG 3.13Å; S252-Q254 VanDerWaalsContact C-N 3.3Å
253	E	92.5	Very high	95.2	Very high	111 Å²	111	39.6 Å²	39.6	52%	0.519	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.3	179.6	-64	176.6	172.8	0	0	112	N250 R255	N250-E253 HydrophobicContact CB-CB 4.21Å; N250-E253 PolarHBondContact ND2-OE2 2.87Å; N250-E253 WeakPolarHBondContact OD1-CB 3.21Å; N250-E253 PolarHBondContact OD1-N 2.92Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 HydrophobicContact CB-CG 4.09Å; E253-R255 PolarHBondContact O-N 2.96Å; E253-R255 IonicContact OE2-CZ 3.7Å; E253-R255 IonicContact OE2-NE 2.81Å; E253-R255 PolarHBondContact OE2-NE 3.03Å; E253-R255 IonicContact OE2-NH2 2.73Å; E253-R255 PolarHBondContact OE2-NH2 2.79Å
254	Q	93.6	Very high	95.3	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	48.7	177	-54.2	171.8	0.2	0	0	111.6	N208 L210 N250 S251 S252 F594	N208-Q254 HydrophobicContact CB-CB 4.45Å; N208-Q254 VanDerWaalsContact ND2-CB 3.34Å; N208-Q254 WeakPolarHBondContact ND2-CB 3.47Å; N208-Q254 PolarHBondContact ND2-O 3.46Å; N208-Q254 VanDerWaalsContact ND2-O 3.15Å; L210-Q254 WeakPolarHBondContact CD1-O 3.32Å; L210-Q254 WeakPolarHBondContact CD2-O 3.43Å; N250-Q254 WeakPolarHBondContact O-CA 3.32Å; N250-Q254 PolarHBondContact O-N 2.73Å; S251-Q254 WeakPolarHBondContact O-CG 3.21Å; S252-Q254 VanDerWaalsContact C-N 3.3Å; Q254-F594 HydrophobicContact CB-CD1 4.47Å; Q254-F594 HydrophobicContact CB-CD2 4.39Å; Q254-F594 HydrophobicContact CB-CE1 4.44Å; Q254-F594 HydrophobicContact CB-CE2 4.36Å; Q254-F594 HydrophobicContact CB-CG 4.44Å; Q254-F594 HydrophobicContact CB-CZ 4.38Å; Q254-F594 HydrophobicContact CG-CD1 3.79Å; Q254-F594 HydrophobicContact CG-CD2 4.48Å; Q254-F594 HydrophobicContact CG-CE1 4.01Å; Q254-F594 HydrophobicContact CG-CG 4.05Å; Q254-F594 HydrophobicContact CG-CZ 4.44Å
255	R	94.5	Very high	95.3	Very high	127 Å²	127	46 Å²	46	48%	0.479	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.6	179.6	68	167.7	171.4	110.2	1.8	112.4	V249 N250 E253	V249-R255 CarbonylContact C-O 3.39Å; V249-R255 WeakPolarHBondContact CA-O 3.21Å; V249-R255 WeakPolarHBondContact CG1-O 3.49Å; N250-R255 HydrophobicContact CB-CG 4Å; N250-R255 PolarHBondContact N-O 2.79Å; N250-R255 PolarHBondContact O-N 2.89Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 HydrophobicContact CB-CG 4.09Å; E253-R255 PolarHBondContact O-N 2.96Å; E253-R255 IonicContact OE2-CZ 3.7Å; E253-R255 IonicContact OE2-NE 2.81Å; E253-R255 PolarHBondContact OE2-NE 3.03Å; E253-R255 IonicContact OE2-NH2 2.73Å; E253-R255 PolarHBondContact OE2-NH2 2.79Å
256	L	94.2	Very high	95.3	Very high	68 Å²	68	47.8 Å²	47.8	36%	0.356	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.9	174.1	-52.8	-178.5	0	0	0	110.3	L210 I212 R247 V249	L210-L256 HydrophobicContact CB-CD2 4.41Å; L210-L256 HydrophobicContact CD1-CD2 3.98Å; I212-L256 HydrophobicContact CD1-CD2 3.54Å; R247-L256 HydrophobicContact CG-CD2 4.21Å; V249-L256 HydrophobicContact CG2-CD2 3.85Å
257	I	93.2	Very high	95.3	Very high	74 Å²	74	48 Å²	48	38%	0.379	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-76.7	178	-54.3	172.4	0	0	0	109.8	K248 N250	K248-I257 HydrophobicContact CB-CB 4.03Å; K248-I257 HydrophobicContact CB-CD1 4.32Å; K248-I257 WeakPolarHBondContact O-CB 3.38Å; K248-I257 PolarHBondContact O-N 3.19Å; N250-I257 HydrophobicContact CB-CD1 3.88Å; N250-I257 HydrophobicContact CB-CG1 4.08Å
258	K	92	Very high	95.4	Very high	102 Å²	102	47.7 Å²	47.7	44%	0.443	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	149.3	-168.9	-177.5	171.6	168.7	-165.3	0	111.2	K248 D298	K248-K258 PolarHBondContact N-O 2.73Å; K258-D298 VanDerWaalsContact CD-OD2 3.32Å; K258-D298 WeakPolarHBondContact CD-OD2 3.1Å; K258-D298 WeakPolarHBondContact CE-OD2 3.11Å; K258-D298 IonicContact NZ-OD2 3.65Å; K258-D298 PolarHBondContact NZ-OD2 2.89Å
259	Y	94.2	Very high	95.4	Very high	43 Å²	43	47 Å²	47	17%	0.169	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.6	168.7	-179.5	-109.4	0	0	0	110.4	Q234 S236 F244 G245 I246 H261	Q234-Y259 HydrophobicContact CG-CD2 3.87Å; Q234-Y259 HydrophobicContact CG-CE2 3.66Å; S236-Y259 WeakPolarHBondContact CA-OH 3.49Å; S236-Y259 WeakPolarHBondContact CB-OH 3.42Å; S236-Y259 PolarHBondContact N-OH 3.04Å; F244-Y259 VanDerWaalsContact C-OH 3.26Å; G245-Y259 WeakPolarHBondContact CA-OH 3.33Å; G245-Y259 PolarHBondContact N-OH 2.81Å; G245-Y259 VanDerWaalsContact N-OH 3.1Å; I246-Y259 CarbonylContact O-C 3.11Å; I246-Y259 WeakPolarHBondContact O-CA 3.5Å; I246-Y259 WeakPolarHBondContact O-CD2 3.33Å; Y259-H261 HydrophobicContact CE1-CB 3.85Å; Y259-H261 AromaticContact CE1-ND1 3.94Å
260	V	95.2	Very high	95.5	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.055	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.6	173.7	-170.7	0	0	0	0	107.5	G245 I246 K248 L262 T293 D298	G245-V260 CarbonylContact C-O 3.43Å; G245-V260 WeakPolarHBondContact CA-O 2.91Å; I246-V260 HydrophobicContact CG1-CB 3.95Å; I246-V260 HydrophobicContact CG1-CG2 4.45Å; I246-V260 PolarHBondContact N-O 2.75Å; I246-V260 PolarHBondContact O-N 3.3Å; K248-V260 HydrophobicContact CD-CG2 4.16Å; V260-L262 HydrophobicContact CB-CD2 4.49Å; V260-L262 HydrophobicContact CG1-CD2 3.73Å; V260-L262 HydrophobicContact CG1-CG 4.49Å; V260-T293 HydrophobicContact CG1-CG2 4.37Å; V260-D298 HydrophobicContact CG1-CB 4.33Å; V260-D298 HydrophobicContact CG2-CB 3.89Å
261	H	95.7	Very high	95.5	Very high	73 Å²	73	47.4 Å²	47.4	34%	0.338	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.9	179.6	-170.7	89.6	0	0	0	109.8	R242 Y259	R242-H261 PolarHBondContact O-CE1 3.01Å; Y259-H261 HydrophobicContact CE1-CB 3.85Å; Y259-H261 AromaticContact CE1-ND1 3.94Å
262	L	97.4	Very high	95.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	-41.3	-169.8	-61.8	-175	0	0	0	114.4	F244 I246 V260 I267 R291 T293 I300	F244-L262 PolarHBondContact O-N 2.83Å; I246-L262 HydrophobicContact CB-CD1 4.46Å; I246-L262 HydrophobicContact CD1-CD1 4Å; I246-L262 HydrophobicContact CG1-CD1 3.88Å; I246-L262 HydrophobicContact CG1-CG 4.45Å; I246-L262 HydrophobicContact CG2-CD1 3.93Å; V260-L262 HydrophobicContact CB-CD2 4.49Å; V260-L262 HydrophobicContact CG1-CD2 3.73Å; V260-L262 HydrophobicContact CG1-CG 4.49Å; L262-I267 HydrophobicContact CB-CD1 4.46Å; L262-I267 HydrophobicContact CD1-CD1 4.34Å; L262-R291 WeakPolarHBondContact O-CD 3.44Å; L262-R291 PolarHBondContact O-NE 2.87Å; L262-R291 VanDerWaalsContact O-NE 3.11Å; L262-R291 PolarHBondContact O-NH1 2.77Å; L262-T293 HydrophobicContact CD2-CG2 3.8Å; L262-T293 WeakPolarHBondContact CD2-OG1 3.27Å; L262-I300 HydrophobicContact CD2-CD1 4.28Å; L262-I300 HydrophobicContact CD2-CG1 3.91Å
263	H	98.2	Very high	95.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.7	-165.3	-74.7	-79.3	0	0	0	111.5	G243 F244 Q265 I267 S283 S285 D287 T289	G243-H263 CarbonylContact C-O 3.55Å; G243-H263 WeakPolarHBondContact CA-O 3.22Å; F244-H263 HydrophobicContact CB-CB 4.42Å; F244-H263 PolarHBondContact N-O 2.89Å; F244-H263 PolarHBondContact O-N 3.49Å; H263-Q265 WeakPolarHBondContact CB-O 3.5Å; H263-I267 HydrophobicContact CB-CG1 4.3Å; H263-S283 WeakPolarHBondContact NE2-CB 3.32Å; H263-S283 PolarHBondContact NE2-OG 3.36Å; H263-S283 VanDerWaalsContact NE2-OG 3.08Å; H263-S285 VanDerWaalsContact CG-CB 3.47Å; H263-S285 WeakPolarHBondContact ND1-CB 3.48Å; H263-D287 VanDerWaalsContact CA-OD2 3.31Å; H263-D287 WeakPolarHBondContact CA-OD2 3.44Å; H263-D287 WeakPolarHBondContact CB-OD2 3.38Å; H263-D287 IonicContact CE1-OD1 3.23Å; H263-D287 IonicContact CG-OD2 2.65Å; H263-D287 VanDerWaalsContact ND1-CG 3.35Å; H263-D287 IonicContact ND1-OD1 3.01Å; H263-D287 PolarHBondContact ND1-OD1 3.14Å; H263-D287 VanDerWaalsContact ND1-OD1 3.15Å; H263-D287 IonicContact ND1-OD2 3.97Å; H263-D287 PolarHBondContact ND1-OD2 2.96Å; H263-T289 PolarHBondContact CE1-O 3.32Å; H263-T289 PolarHBondContact CE1-OG1 2.97Å; H263-T289 PolarHBondContact ND1-OG1 3.35Å
264	T	96.7	Very high	95.7	Very high	94 Å²	94	44.1 Å²	44.1	58%	0.577	22%	0.218	S	C	*	.	S	Bend	trans	-90.8	-19.8	175.8	58	0	0	0	0	112.9	D287	T264-D287 PolarHBondContact N-OD2 2.64Å; T264-D287 VanDerWaalsContact OG1-CB 3.28Å; T264-D287 WeakPolarHBondContact OG1-CB 3.42Å
265	Q	97.4	Very high	95.2	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	24%	0.237	S	C	.	.	S	Bend	trans	-126.2	169.2	177.9	-63.7	-167.4	10.9	0	0	111.8	F244 H263 I267 S285 L286 D287	F244-Q265 WeakPolarHBondContact CB-O 3.47Å; F244-Q265 VanDerWaalsContact CD2-O 3.32Å; F244-Q265 WeakPolarHBondContact CD2-O 3.24Å; F244-Q265 WeakPolarHBondContact CG-O 3.36Å; H263-Q265 WeakPolarHBondContact CB-O 3.5Å; Q265-I267 PolarHBondContact O-N 3.35Å; Q265-S285 PolarHBondContact O-OG 2.87Å; Q265-L286 HydrophobicContact CB-CB 4.11Å; Q265-L286 VanDerWaalsContact OE1-CB 3.28Å; Q265-L286 PolarHBondContact OE1-O 3.21Å; Q265-L286 VanDerWaalsContact OE1-O 3.11Å; Q265-D287 HydrophobicContact CB-CB 3.8Å; Q265-D287 HydrophobicContact CG-CB 3.92Å
266	P	97.2	Very high	94.3	Very high	37 Å²	37	43.4 Å²	43.4	24%	0.24	23%	0.225	C	C	.	.			trans	-52.7	133.9	-174.5	-29.1	34.9	0	0	0	114.4	F244 S285 L286	F244-P266 HydrophobicContact CD1-CB 4.37Å; F244-P266 HydrophobicContact CE1-CB 4.12Å; F244-P266 HydrophobicContact CE1-CG 3.88Å; F244-P266 HydrophobicContact CE2-CG 3.89Å; F244-P266 HydrophobicContact CZ-CB 4.25Å; F244-P266 HydrophobicContact CZ-CG 3.55Å; P266-S285 WeakPolarHBondContact O-CA 3.26Å; P266-S285 PolarHBondContact O-OG 3.44Å; P266-L286 PolarHBondContact O-N 2.83Å
267	I	98.5	Very high	93.8	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.4	169.8	-58.3	173.9	0	0	0	107.9	V220 F244 G245 I246 L262 H263 Q265 D269 L270 A284	V220-I267 HydrophobicContact CG2-CG2 4.13Å; F244-I267 HydrophobicContact CB-CD1 4.48Å; F244-I267 HydrophobicContact CB-CG1 4.17Å; G245-I267 WeakPolarHBondContact O-CD1 3.32Å; I246-I267 HydrophobicContact CG2-CD1 4.2Å; L262-I267 HydrophobicContact CB-CD1 4.46Å; L262-I267 HydrophobicContact CD1-CD1 4.34Å; H263-I267 HydrophobicContact CB-CG1 4.3Å; Q265-I267 PolarHBondContact O-N 3.35Å; I267-D269 WeakPolarHBondContact CG2-O 3.35Å; I267-L270 HydrophobicContact CG2-CD2 3.94Å; I267-L270 HydrophobicContact CG2-CG 4.13Å; I267-A284 CarbonylContact C-O 3.55Å; I267-A284 WeakPolarHBondContact CA-O 3.43Å
268	R	97.9	Very high	93.4	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-26.9	-177.7	-61.3	-58.2	-61.3	172.6	-1.3	112.8	V220 A284 L286 I310 W311 R518	V220-R268 VanDerWaalsContact CG1-O 3.22Å; V220-R268 WeakPolarHBondContact CG1-O 3.17Å; R268-A284 PolarHBondContact N-O 3.04Å; R268-L286 HydrophobicContact CG-CD1 4.47Å; R268-L286 HydrophobicContact CG-CD2 3.76Å; R268-L286 HydrophobicContact CG-CG 3.75Å; R268-I310 WeakPolarHBondContact CB-O 3.22Å; R268-I310 VanDerWaalsContact CG-O 3.31Å; R268-I310 WeakPolarHBondContact CG-O 3.46Å; R268-W311 VanDerWaalsContact CB-O 3.3Å; R268-W311 WeakPolarHBondContact CB-O 3.49Å; R268-R518 PolarHBondContact O-NH1 3.17Å
269	D	98.4	Very high	93.3	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	154.1	-179.1	-150.2	8.7	0	0	0	112.8	I267 A284 S312 C313 R518	I267-D269 WeakPolarHBondContact CG2-O 3.35Å; D269-A284 HydrophobicContact CB-CB 4.15Å; D269-A284 PolarHBondContact N-O 2.73Å; D269-A284 PolarHBondContact O-N 3Å; D269-S312 VanDerWaalsContact OD2-CA 3.29Å; D269-S312 WeakPolarHBondContact OD2-CA 3.38Å; D269-C313 PolarHBondContact OD2-N 3.16Å; D269-R518 IonicContact OD1-CZ 2.64Å; D269-R518 IonicContact OD1-NH1 3.15Å; D269-R518 PolarHBondContact OD1-NH1 2.89Å; D269-R518 IonicContact OD1-NH2 3.1Å; D269-R518 PolarHBondContact OD1-NH2 3.17Å; D269-R518 IonicContact OD2-NH2 2.79Å
270	L	98.2	Very high	93.4	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.058	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.5	178.1	-70.9	175.5	0	0	0	109	V220 A222 C231 I246 I267 I281 A282	V220-L270 HydrophobicContact CG2-CB 4.43Å; V220-L270 HydrophobicContact CG2-CD1 3.9Å; V220-L270 HydrophobicContact CG2-CG 3.79Å; A222-L270 HydrophobicContact CB-CB 3.84Å; C231-L270 HydrophobicContact CB-CD1 4.43Å; I246-L270 HydrophobicContact CG2-CD1 3.87Å; I246-L270 HydrophobicContact CG2-CD2 3.97Å; I267-L270 HydrophobicContact CG2-CD2 3.94Å; I267-L270 HydrophobicContact CG2-CG 4.13Å; L270-I281 HydrophobicContact CB-CD1 4.15Å; L270-I281 HydrophobicContact CD1-CD1 4.3Å; L270-I281 HydrophobicContact CD2-CD1 3.94Å; L270-I281 HydrophobicContact CD2-CG1 4.33Å; L270-I281 HydrophobicContact CG-CD1 4.36Å; L270-A282 WeakPolarHBondContact CA-O 3.42Å
271	A	96.9	Very high	93.5	Very high	16 Å²	16	38.9 Å²	38.9	13%	0.132	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	119.2	177.1	0	0	0	0	0	110.8	A282 W315	A271-A282 PolarHBondContact N-O 3.45Å; A271-A282 WeakPolarHBondContact O-CB 3.28Å; A271-A282 PolarHBondContact O-N 3.29Å; A271-W315 PolarHBondContact O-NE1 3.47Å
272	F	95.7	Very high	93.6	Very high	31 Å²	31	35.4 Å²	35.4	14%	0.136	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	143.8	172.1	-84.3	-73.2	0	0	0	111.1	A222 S223 C224 I280 I281 L295 W315	A222-F272 HydrophobicContact CB-CD2 3.7Å; A222-F272 HydrophobicContact CB-CE2 3.71Å; A222-F272 WeakPolarHBondContact O-CE2 3.43Å; S223-F272 WeakPolarHBondContact O-CD2 3.5Å; C224-F272 HydrophobicContact CB-CD1 3.82Å; C224-F272 HydrophobicContact CB-CD2 3.99Å; C224-F272 HydrophobicContact CB-CE1 3.52Å; C224-F272 HydrophobicContact CB-CE2 3.69Å; C224-F272 HydrophobicContact CB-CG 4.05Å; C224-F272 HydrophobicContact CB-CZ 3.44Å; C224-F272 VanDerWaalsContact CB-CZ 3.44Å; F272-I280 WeakPolarHBondContact CD1-O 3.22Å; F272-I281 HydrophobicContact CD1-CB 3.95Å; F272-I281 HydrophobicContact CD1-CG1 4.19Å; F272-I281 HydrophobicContact CD2-CD1 4.33Å; F272-I281 HydrophobicContact CE1-CB 3.79Å; F272-I281 HydrophobicContact CE1-CD1 4.06Å; F272-I281 HydrophobicContact CE1-CG1 4.12Å; F272-I281 HydrophobicContact CE2-CD1 3.85Å; F272-I281 HydrophobicContact CE2-CG1 4.45Å; F272-I281 HydrophobicContact CG-CG1 4.39Å; F272-I281 HydrophobicContact CZ-CB 4.33Å; F272-I281 HydrophobicContact CZ-CD1 3.71Å; F272-I281 HydrophobicContact CZ-CG1 4.26Å; F272-L295 HydrophobicContact CE1-CD1 3.5Å; F272-L295 VanDerWaalsContact CE1-CD1 3.5Å; F272-L295 HydrophobicContact CE1-CG 4.42Å; F272-L295 HydrophobicContact CZ-CD1 3.58Å; F272-W315 PolarHBondContact O-NE1 3.3Å
273	H	94.8	Very high	93.7	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.037	19%	0.188	C	C	.	.			trans	-57.7	137.7	170.9	-175.8	-83.8	0	0	0	110.5	E275 A276 D278 I280 W315 S319	H273-E275 VanDerWaalsContact C-N 3.27Å; H273-E275 PolarHBondContact ND1-N 3.31Å; H273-E275 PolarHBondContact O-N 3.32Å; H273-A276 PolarHBondContact O-N 2.94Å; H273-D278 IonicContact CD2-OD2 2.62Å; H273-D278 IonicContact CE1-OD2 3.85Å; H273-D278 IonicContact CG-OD1 3.95Å; H273-D278 IonicContact CG-OD2 3.59Å; H273-D278 VanDerWaalsContact CG-OD2 3.27Å; H273-D278 IonicContact ND1-OD1 2.67Å; H273-D278 IonicContact ND1-OD2 2.93Å; H273-D278 PolarHBondContact ND1-OD2 2.98Å; H273-D278 IonicContact NE2-OD2 3.93Å; H273-I280 HydrophobicContact CB-CB 4.02Å; H273-I280 HydrophobicContact CB-CG2 4.44Å; H273-I280 WeakPolarHBondContact CB-O 3.32Å; H273-I280 PolarHBondContact N-O 3.09Å; H273-W315 HydrophobicContact CB-CZ2 4.25Å; H273-W315 AromaticContact CD2-CE3 3.97Å; H273-W315 AromaticContact CD2-CH2 3.69Å; H273-W315 AromaticContact CD2-CZ3 3.64Å; H273-S319 PolarHBondContact CD2-O 2.85Å; H273-S319 PolarHBondContact NE2-O 3.21Å
274	P	89.1	Confident	93.7	Very high	65 Å²	65	35.3 Å²	35.3	42%	0.422	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.6	-173.2	-25.6	34.7	0	0	0	114.8	A276 W315 A316	P274-A276 VanDerWaalsContact C-N 3.28Å; P274-A276 PolarHBondContact O-N 2.86Å; P274-W315 HydrophobicContact CG-CB 3.65Å; P274-W315 HydrophobicContact CG-CG 4.2Å; P274-A316 WeakPolarHBondContact CG-O 3.48Å
275	E	83.9	Confident	93.8	Very high	118 Å²	118	30.9 Å²	30.9	55%	0.551	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.7	-179.8	-77.6	168.4	-152.4	0	0	112.9	H273 H277 S319	H273-E275 VanDerWaalsContact C-N 3.27Å; H273-E275 PolarHBondContact ND1-N 3.31Å; H273-E275 PolarHBondContact O-N 3.32Å; E275-H277 PolarHBondContact O-CD2 2.82Å; E275-H277 VanDerWaalsContact O-CG 3.31Å; E275-H277 PolarHBondContact O-N 3.11Å; E275-S319 WeakPolarHBondContact CG-OG 3.05Å; E275-S319 WeakPolarHBondContact OE1-CB 3.45Å; E275-S319 PolarHBondContact OE1-OG 3.14Å
276	A	76.6	Confident	93.8	Very high	27 Å²	27	29.1 Å²	29.1	22%	0.223	15%	0.154	C	C	.	.			trans	53.1	-23.4	174.2	0	0	0	0	0	117.9	Y226 H273 P274 D278 G279	Y226-A276 WeakPolarHBondContact CD1-O 3.45Å; H273-A276 PolarHBondContact O-N 2.94Å; P274-A276 VanDerWaalsContact C-N 3.28Å; P274-A276 PolarHBondContact O-N 2.86Å; A276-D278 VanDerWaalsContact C-N 3.32Å; A276-D278 PolarHBondContact O-N 3.02Å; A276-G279 PolarHBondContact O-N 3.33Å
277	H	82.2	Confident	93.9	Very high	125 Å²	125	28.3 Å²	28.3	58%	0.579	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.4	-176.2	-63.5	-51.7	0	0	0	112.7	Y226 E275	Y226-H277 AromaticContact CD2-CE1 3.84Å; Y226-H277 AromaticContact CD2-ND1 3.21Å; Y226-H277 WeakPolarHBondContact CD2-ND1 3.3Å; Y226-H277 WeakPolarHBondContact CE1-O 3.44Å; Y226-H277 AromaticContact CE2-ND1 3.45Å; Y226-H277 WeakPolarHBondContact CE2-ND1 3.35Å; Y226-H277 AromaticContact CG-ND1 3.64Å; E275-H277 PolarHBondContact O-CD2 2.82Å; E275-H277 VanDerWaalsContact O-CG 3.31Å; E275-H277 PolarHBondContact O-N 3.11Å
278	D	84.5	Confident	93.9	Very high	46 Å²	46	33.1 Å²	33.1	25%	0.246	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14.1	172.6	65.9	-0.3	0	0	0	112.8	H273 A276 I280	H273-D278 IonicContact CD2-OD2 2.62Å; H273-D278 IonicContact CE1-OD2 3.85Å; H273-D278 IonicContact CG-OD1 3.95Å; H273-D278 IonicContact CG-OD2 3.59Å; H273-D278 VanDerWaalsContact CG-OD2 3.27Å; H273-D278 IonicContact ND1-OD1 2.67Å; H273-D278 IonicContact ND1-OD2 2.93Å; H273-D278 PolarHBondContact ND1-OD2 2.98Å; H273-D278 IonicContact NE2-OD2 3.93Å; A276-D278 VanDerWaalsContact C-N 3.32Å; A276-D278 PolarHBondContact O-N 3.02Å; D278-I280 HydrophobicContact CB-CD1 4.17Å; D278-I280 HydrophobicContact CB-CG1 3.99Å; D278-I280 PolarHBondContact O-N 3.1Å; D278-I280 PolarHBondContact OD1-N 2.66Å; D278-I280 WeakPolarHBondContact OD2-CB 3.28Å; D278-I280 VanDerWaalsContact OD2-CD1 3.28Å; D278-I280 WeakPolarHBondContact OD2-CD1 3.3Å; D278-I280 WeakPolarHBondContact OD2-CG1 3.42Å
279	G	90.9	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.			trans	62	24.5	-175.8	0	0	0	0	0	113.5	A276 L295	A276-G279 PolarHBondContact O-N 3.33Å; G279-L295 WeakPolarHBondContact O-CB 2.91Å; G279-L295 PolarHBondContact O-N 3.16Å
280	I	95.7	Very high	93.9	Very high	31 Å²	31	31.2 Å²	31.2	16%	0.159	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.4	-178	-64.4	-178.1	0	0	0	110.5	F272 H273 D278 L292 T293 W315	F272-I280 WeakPolarHBondContact CD1-O 3.22Å; H273-I280 HydrophobicContact CB-CB 4.02Å; H273-I280 HydrophobicContact CB-CG2 4.44Å; H273-I280 WeakPolarHBondContact CB-O 3.32Å; H273-I280 PolarHBondContact N-O 3.09Å; D278-I280 HydrophobicContact CB-CD1 4.17Å; D278-I280 HydrophobicContact CB-CG1 3.99Å; D278-I280 PolarHBondContact O-N 3.1Å; D278-I280 PolarHBondContact OD1-N 2.66Å; D278-I280 WeakPolarHBondContact OD2-CB 3.28Å; D278-I280 VanDerWaalsContact OD2-CD1 3.28Å; D278-I280 WeakPolarHBondContact OD2-CD1 3.3Å; D278-I280 WeakPolarHBondContact OD2-CG1 3.42Å; I280-L292 HydrophobicContact CG2-CB 4.14Å; I280-L292 HydrophobicContact CG2-CD2 4.38Å; I280-T293 WeakPolarHBondContact CA-O 3.4Å; I280-W315 HydrophobicContact CG2-CZ2 4.4Å
281	I	97.7	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.8	171.1	-165.3	173.1	0	0	0	110.1	A222 C231 I246 L270 F272 L292 T293 L295	A222-I281 HydrophobicContact CB-CD1 4.31Å; C231-I281 HydrophobicContact CB-CD1 3.98Å; I246-I281 HydrophobicContact CD1-CG2 4.19Å; L270-I281 HydrophobicContact CB-CD1 4.15Å; L270-I281 HydrophobicContact CD1-CD1 4.3Å; L270-I281 HydrophobicContact CD2-CD1 3.94Å; L270-I281 HydrophobicContact CD2-CG1 4.33Å; L270-I281 HydrophobicContact CG-CD1 4.36Å; F272-I281 HydrophobicContact CD1-CB 3.95Å; F272-I281 HydrophobicContact CD1-CG1 4.19Å; F272-I281 HydrophobicContact CD2-CD1 4.33Å; F272-I281 HydrophobicContact CE1-CB 3.79Å; F272-I281 HydrophobicContact CE1-CD1 4.06Å; F272-I281 HydrophobicContact CE1-CG1 4.12Å; F272-I281 HydrophobicContact CE2-CD1 3.85Å; F272-I281 HydrophobicContact CE2-CG1 4.45Å; F272-I281 HydrophobicContact CG-CG1 4.39Å; F272-I281 HydrophobicContact CZ-CB 4.33Å; F272-I281 HydrophobicContact CZ-CD1 3.71Å; F272-I281 HydrophobicContact CZ-CG1 4.26Å; I281-L292 WeakPolarHBondContact O-CA 3.47Å; I281-T293 PolarHBondContact N-O 2.81Å; I281-T293 PolarHBondContact O-N 3.03Å; I281-L295 HydrophobicContact CG2-CD1 4.34Å; I281-L295 HydrophobicContact CG2-CD2 3.9Å; I281-L295 HydrophobicContact CG2-CG 4.06Å
282	A	98.1	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	139	167.4	0	0	0	0	0	109.7	L270 A271 R291 L292 W315 L322	L270-A282 WeakPolarHBondContact CA-O 3.42Å; A271-A282 PolarHBondContact N-O 3.45Å; A271-A282 WeakPolarHBondContact O-CB 3.28Å; A271-A282 PolarHBondContact O-N 3.29Å; A282-R291 CarbonylContact C-O 3.51Å; A282-R291 WeakPolarHBondContact CA-O 3.14Å; A282-L292 HydrophobicContact CB-CD2 3.8Å; A282-W315 HydrophobicContact CB-CZ2 3.94Å; A282-L322 HydrophobicContact CB-CD1 4.01Å; A282-L322 HydrophobicContact CB-CD2 3.97Å
283	S	98.8	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.3	179	45.6	0	0	0	0	110.3	H263 L290 R291	H263-S283 WeakPolarHBondContact NE2-CB 3.32Å; H263-S283 PolarHBondContact NE2-OG 3.36Å; H263-S283 VanDerWaalsContact NE2-OG 3.08Å; S283-L290 WeakPolarHBondContact O-CA 3.29Å; S283-R291 PolarHBondContact N-O 2.72Å; S283-R291 PolarHBondContact O-N 3.23Å; S283-R291 PolarHBondContact OG-O 3.48Å
284	A	98.6	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.7	179.8	0	0	0	0	0	110.1	I267 R268 D269 L290 I310 C313	I267-A284 CarbonylContact C-O 3.55Å; I267-A284 WeakPolarHBondContact CA-O 3.43Å; R268-A284 PolarHBondContact N-O 3.04Å; D269-A284 HydrophobicContact CB-CB 4.15Å; D269-A284 PolarHBondContact N-O 2.73Å; D269-A284 PolarHBondContact O-N 3Å; A284-L290 HydrophobicContact CB-CD1 4.19Å; A284-I310 HydrophobicContact CB-CB 3.96Å; A284-I310 HydrophobicContact CB-CG2 3.59Å; A284-C313 HydrophobicContact CB-CB 3.99Å
285	S	98.7	Very high	94.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.5	-176.6	177.1	0	0	0	0	113.4	H263 Q265 P266 D287 K288 T289 I310	H263-S285 VanDerWaalsContact CG-CB 3.47Å; H263-S285 WeakPolarHBondContact ND1-CB 3.48Å; Q265-S285 PolarHBondContact O-OG 2.87Å; P266-S285 WeakPolarHBondContact O-CA 3.26Å; P266-S285 PolarHBondContact O-OG 3.44Å; S285-D287 VanDerWaalsContact CB-OD1 3.29Å; S285-D287 WeakPolarHBondContact CB-OD1 3.4Å; S285-D287 PolarHBondContact O-N 2.99Å; S285-D287 PolarHBondContact OG-N 3.18Å; S285-D287 VanDerWaalsContact OG-N 3.1Å; S285-D287 PolarHBondContact OG-OD1 3.26Å; S285-K288 PolarHBondContact O-N 3.38Å; S285-T289 PolarHBondContact N-O 3.18Å; S285-I310 CarbonylContact C-O 3.51Å; S285-I310 PolarHBondContact O-N 2.6Å
286	L	98.1	Very high	94.8	Very high	46 Å²	46	28 Å²	28	24%	0.241	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.1	169.5	-61.3	-177	0	0	0	112.9	Q265 P266 R268 K288	Q265-L286 HydrophobicContact CB-CB 4.11Å; Q265-L286 VanDerWaalsContact OE1-CB 3.28Å; Q265-L286 PolarHBondContact OE1-O 3.21Å; Q265-L286 VanDerWaalsContact OE1-O 3.11Å; P266-L286 PolarHBondContact O-N 2.83Å; R268-L286 HydrophobicContact CG-CD1 4.47Å; R268-L286 HydrophobicContact CG-CD2 3.76Å; R268-L286 HydrophobicContact CG-CG 3.75Å; L286-K288 PolarHBondContact O-N 3.21Å
287	D	98.1	Very high	95.5	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.102	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	6.3	173.8	73.8	6	0	0	0	113.7	H263 T264 Q265 S285 T289	H263-D287 VanDerWaalsContact CA-OD2 3.31Å; H263-D287 WeakPolarHBondContact CA-OD2 3.44Å; H263-D287 WeakPolarHBondContact CB-OD2 3.38Å; H263-D287 IonicContact CE1-OD1 3.23Å; H263-D287 IonicContact CG-OD2 2.65Å; H263-D287 VanDerWaalsContact ND1-CG 3.35Å; H263-D287 IonicContact ND1-OD1 3.01Å; H263-D287 PolarHBondContact ND1-OD1 3.14Å; H263-D287 VanDerWaalsContact ND1-OD1 3.15Å; H263-D287 IonicContact ND1-OD2 3.97Å; H263-D287 PolarHBondContact ND1-OD2 2.96Å; T264-D287 PolarHBondContact N-OD2 2.64Å; T264-D287 VanDerWaalsContact OG1-CB 3.28Å; T264-D287 WeakPolarHBondContact OG1-CB 3.42Å; Q265-D287 HydrophobicContact CB-CB 3.8Å; Q265-D287 HydrophobicContact CG-CB 3.92Å; S285-D287 VanDerWaalsContact CB-OD1 3.29Å; S285-D287 WeakPolarHBondContact CB-OD1 3.4Å; S285-D287 PolarHBondContact O-N 2.99Å; S285-D287 PolarHBondContact OG-N 3.18Å; S285-D287 VanDerWaalsContact OG-N 3.1Å; S285-D287 PolarHBondContact OG-OD1 3.26Å; D287-T289 VanDerWaalsContact C-N 3.28Å; D287-T289 PolarHBondContact O-N 3.16Å; D287-T289 WeakPolarHBondContact OD1-CB 3.38Å; D287-T289 PolarHBondContact OD1-N 2.93Å; D287-T289 PolarHBondContact OD1-OG1 3.39Å; D287-T289 PolarHBondContact OD2-OG1 2.94Å
288	K	98.3	Very high	96.1	Very high	105 Å²	105	27.3 Å²	27.3	46%	0.457	14%	0.137	S	C	.	.	S	Bend	trans	67.6	26.1	179.2	-37.9	179.8	174.6	-169.4	0	113	S285 L286 C306 P307	S285-K288 PolarHBondContact O-N 3.38Å; L286-K288 PolarHBondContact O-N 3.21Å; K288-C306 VanDerWaalsContact CB-O 3.29Å; K288-C306 WeakPolarHBondContact CB-O 3.22Å; K288-C306 PolarHBondContact O-N 2.87Å; K288-P307 PolarHBondContact NZ-O 2.87Å
289	T	98.4	Very high	96.6	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.043	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.3	173.7	69.9	0	0	0	0	112.4	H263 S285 D287 R291 T303 Y304 I310	H263-T289 PolarHBondContact CE1-O 3.32Å; H263-T289 PolarHBondContact CE1-OG1 2.97Å; H263-T289 PolarHBondContact ND1-OG1 3.35Å; S285-T289 PolarHBondContact N-O 3.18Å; D287-T289 VanDerWaalsContact C-N 3.28Å; D287-T289 PolarHBondContact O-N 3.16Å; D287-T289 WeakPolarHBondContact OD1-CB 3.38Å; D287-T289 PolarHBondContact OD1-N 2.93Å; D287-T289 PolarHBondContact OD1-OG1 3.39Å; D287-T289 PolarHBondContact OD2-OG1 2.94Å; T289-R291 PolarHBondContact OG1-NE 3.17Å; T289-T303 HydrophobicContact CG2-CG2 4.02Å; T289-Y304 VanDerWaalsContact CA-O 3.29Å; T289-Y304 WeakPolarHBondContact CA-O 3.49Å; T289-I310 VanDerWaalsContact C-CD1 3.47Å; T289-I310 WeakPolarHBondContact O-CD1 3.25Å
290	L	98.4	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112	166	-176.4	71.7	0	0	0	107.1	S283 A284 Y304 I310 C313 L322 A324 Y334	S283-L290 WeakPolarHBondContact O-CA 3.29Å; A284-L290 HydrophobicContact CB-CD1 4.19Å; L290-Y304 HydrophobicContact CD2-CD2 4.43Å; L290-Y304 PolarHBondContact N-O 3.4Å; L290-Y304 PolarHBondContact O-N 3.09Å; L290-I310 HydrophobicContact CB-CD1 3.67Å; L290-C313 HydrophobicContact CD1-CB 3.88Å; L290-L322 HydrophobicContact CD1-CD2 4.39Å; L290-L322 HydrophobicContact CD2-CD2 3.47Å; L290-L322 VanDerWaalsContact CD2-CD2 3.47Å; L290-L322 HydrophobicContact CD2-CG 3.91Å; L290-L322 HydrophobicContact CG-CD2 4.03Å; L290-A324 HydrophobicContact CD1-CB 4.46Å; L290-A324 HydrophobicContact CD2-CB 4.04Å; L290-Y334 HydrophobicContact CD2-CD2 3.82Å; L290-Y334 HydrophobicContact CD2-CE2 3.88Å; L290-Y334 HydrophobicContact CD2-CG 4.49Å
291	R	98.3	Very high	96.9	Very high	52 Å²	52	32 Å²	32	20%	0.196	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134	-175.7	-67.9	-177.9	-172.6	-146.2	-4.6	111.2	L262 A282 S283 T289 I300 Q302 T303	L262-R291 WeakPolarHBondContact O-CD 3.44Å; L262-R291 PolarHBondContact O-NE 2.87Å; L262-R291 VanDerWaalsContact O-NE 3.11Å; L262-R291 PolarHBondContact O-NH1 2.77Å; A282-R291 CarbonylContact C-O 3.51Å; A282-R291 WeakPolarHBondContact CA-O 3.14Å; S283-R291 PolarHBondContact N-O 2.72Å; S283-R291 PolarHBondContact O-N 3.23Å; S283-R291 PolarHBondContact OG-O 3.48Å; T289-R291 PolarHBondContact OG1-NE 3.17Å; R291-I300 HydrophobicContact CB-CG2 4.3Å; R291-I300 HydrophobicContact CG-CG2 4.38Å; R291-I300 VanDerWaalsContact NH1-CD1 3.33Å; R291-Q302 WeakPolarHBondContact CA-O 3.2Å; R291-T303 HydrophobicContact CG-CG2 3.94Å
292	L	97.8	Very high	96.8	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.1	166.4	-57.1	-174.2	0	0	0	108.2	I280 I281 A282 I300 V301 Q302 Y304 W315 L322 I336	I280-L292 HydrophobicContact CG2-CB 4.14Å; I280-L292 HydrophobicContact CG2-CD2 4.38Å; I281-L292 WeakPolarHBondContact O-CA 3.47Å; A282-L292 HydrophobicContact CB-CD2 3.8Å; L292-I300 CarbonylContact O-C 3.58Å; L292-I300 WeakPolarHBondContact O-CA 3.37Å; L292-V301 HydrophobicContact CB-CG2 3.6Å; L292-V301 WeakPolarHBondContact O-CG2 3.29Å; L292-V301 PolarHBondContact O-N 2.8Å; L292-Q302 HydrophobicContact CB-CB 4.08Å; L292-Q302 HydrophobicContact CD1-CB 4.09Å; L292-Q302 HydrophobicContact CG-CB 4.21Å; L292-Q302 PolarHBondContact N-O 2.81Å; L292-Q302 PolarHBondContact O-N 2.74Å; L292-Y304 HydrophobicContact CD1-CE2 4.29Å; L292-W315 HydrophobicContact CD1-CH2 4.3Å; L292-W315 HydrophobicContact CD2-CH2 3.84Å; L292-W315 HydrophobicContact CD2-CZ2 3.7Å; L292-L322 HydrophobicContact CD2-CD2 3.71Å; L292-I336 HydrophobicContact CD1-CG2 3.83Å
293	T	98.1	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.5	-178.5	-53.8	0	0	0	0	109.3	V260 L262 I280 I281 L295 S299	V260-T293 HydrophobicContact CG1-CG2 4.37Å; L262-T293 HydrophobicContact CD2-CG2 3.8Å; L262-T293 WeakPolarHBondContact CD2-OG1 3.27Å; I280-T293 WeakPolarHBondContact CA-O 3.4Å; I281-T293 PolarHBondContact N-O 2.81Å; I281-T293 PolarHBondContact O-N 3.03Å; T293-L295 HydrophobicContact CG2-CD2 4.39Å; T293-S299 CarbonylContact C-O 3.58Å; T293-S299 WeakPolarHBondContact CA-O 3.17Å; T293-S299 WeakPolarHBondContact CG2-O 3.31Å
294	S	95.5	Very high	96.8	Very high	12 Å²	12	36.5 Å²	36.5	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.3	169.6	179.3	0	0	0	0	109.6	L296 N297 D298 S299	S294-L296 VanDerWaalsContact C-N 3.29Å; S294-L296 PolarHBondContact OG-N 3.14Å; S294-N297 WeakPolarHBondContact CB-OD1 2.98Å; S294-N297 PolarHBondContact O-OD1 3.32Å; S294-D298 WeakPolarHBondContact O-CA 3.37Å; S294-D298 PolarHBondContact O-N 3.13Å; S294-S299 PolarHBondContact N-O 3.48Å; S294-S299 PolarHBondContact O-N 2.94Å; S294-S299 VanDerWaalsContact O-N 3.17Å
295	L	95.6	Very high	96.7	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.2	176.9	-59.8	-170.8	0	0	0	113.5	L227 C231 I246 K248 F272 G279 I281 T293	L227-L295 HydrophobicContact CD1-CB 3.7Å; L227-L295 HydrophobicContact CD1-CD1 4.36Å; C231-L295 WeakPolarHBondContact SG-CD1 3.36Å; I246-L295 HydrophobicContact CD1-CD2 3.61Å; K248-L295 PolarHBondContact NZ-O 2.9Å; F272-L295 HydrophobicContact CE1-CD1 3.5Å; F272-L295 VanDerWaalsContact CE1-CD1 3.5Å; F272-L295 HydrophobicContact CE1-CG 4.42Å; F272-L295 HydrophobicContact CZ-CD1 3.58Å; G279-L295 WeakPolarHBondContact O-CB 2.91Å; G279-L295 PolarHBondContact O-N 3.16Å; I281-L295 HydrophobicContact CG2-CD1 4.34Å; I281-L295 HydrophobicContact CG2-CD2 3.9Å; I281-L295 HydrophobicContact CG2-CG 4.06Å; T293-L295 HydrophobicContact CG2-CD2 4.39Å
296	L	92.1	Very high	96.6	Very high	106 Å²	106	43.9 Å²	43.9	56%	0.555	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-38.9	173.3	-66.9	174.5	0	0	0	111.1	L227 S294	L227-L296 HydrophobicContact CD2-CD2 3.55Å; S294-L296 VanDerWaalsContact C-N 3.29Å; S294-L296 PolarHBondContact OG-N 3.14Å
297	N	91.9	Very high	96.5	Very high	102 Å²	102	45.9 Å²	45.9	55%	0.545	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	4.9	179.8	64.4	15.1	0	0	0	113.7	S294 S299	S294-N297 WeakPolarHBondContact CB-OD1 2.98Å; S294-N297 PolarHBondContact O-OD1 3.32Å; N297-S299 VanDerWaalsContact C-N 3.27Å; N297-S299 PolarHBondContact ND2-OG 3.11Å; N297-S299 PolarHBondContact O-N 2.8Å; N297-S299 WeakPolarHBondContact OD1-CB 3.45Å; N297-S299 PolarHBondContact OD1-N 2.83Å; N297-S299 VanDerWaalsContact OD1-N 3.16Å; N297-S299 PolarHBondContact OD1-OG 2.98Å
298	D	94.2	Very high	96.4	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	38.4	-179	-55.1	-43.9	0	0	0	113.8	K248 K258 V260 S294	K248-D298 WeakPolarHBondContact CD-OD1 3.37Å; K248-D298 IonicContact NZ-OD1 3.94Å; K248-D298 PolarHBondContact NZ-OD1 3.08Å; K258-D298 VanDerWaalsContact CD-OD2 3.32Å; K258-D298 WeakPolarHBondContact CD-OD2 3.1Å; K258-D298 WeakPolarHBondContact CE-OD2 3.11Å; K258-D298 IonicContact NZ-OD2 3.65Å; K258-D298 PolarHBondContact NZ-OD2 2.89Å; V260-D298 HydrophobicContact CG1-CB 4.33Å; V260-D298 HydrophobicContact CG2-CB 3.89Å; S294-D298 WeakPolarHBondContact O-CA 3.37Å; S294-D298 PolarHBondContact O-N 3.13Å
299	S	94.7	Very high	96.4	Very high	45 Å²	45	42.1 Å²	42.1	32%	0.315	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.5	-177.5	73.1	0	0	0	0	112.7	T293 S294 N297 V301	T293-S299 CarbonylContact C-O 3.58Å; T293-S299 WeakPolarHBondContact CA-O 3.17Å; T293-S299 WeakPolarHBondContact CG2-O 3.31Å; S294-S299 PolarHBondContact N-O 3.48Å; S294-S299 PolarHBondContact O-N 2.94Å; S294-S299 VanDerWaalsContact O-N 3.17Å; N297-S299 VanDerWaalsContact C-N 3.27Å; N297-S299 PolarHBondContact ND2-OG 3.11Å; N297-S299 PolarHBondContact O-N 2.8Å; N297-S299 WeakPolarHBondContact OD1-CB 3.45Å; N297-S299 PolarHBondContact OD1-N 2.83Å; N297-S299 VanDerWaalsContact OD1-N 3.16Å; N297-S299 PolarHBondContact OD1-OG 2.98Å; S299-V301 PolarHBondContact O-N 3.44Å
300	I	97.3	Very high	96.4	Very high	61 Å²	61	41.8 Å²	41.8	31%	0.313	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.1	173.1	-61.3	159.2	0	0	0	107.5	L262 R291 L292 T303	L262-I300 HydrophobicContact CD2-CD1 4.28Å; L262-I300 HydrophobicContact CD2-CG1 3.91Å; R291-I300 HydrophobicContact CB-CG2 4.3Å; R291-I300 HydrophobicContact CG-CG2 4.38Å; R291-I300 VanDerWaalsContact NH1-CD1 3.33Å; L292-I300 CarbonylContact O-C 3.58Å; L292-I300 WeakPolarHBondContact O-CA 3.37Å; I300-T303 WeakPolarHBondContact CG2-OG1 3.46Å
301	V	95.7	Very high	96.4	Very high	71 Å²	71	44.6 Å²	44.6	43%	0.43	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-30.7	-178.2	-61.2	0	0	0	0	112.1	L292 S299	L292-V301 HydrophobicContact CB-CG2 3.6Å; L292-V301 WeakPolarHBondContact O-CG2 3.29Å; L292-V301 PolarHBondContact O-N 2.8Å; S299-V301 PolarHBondContact O-N 3.44Å
302	Q	96.9	Very high	96.4	Very high	49 Å²	49	42.1 Å²	42.1	23%	0.229	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	143.4	-180	-176	58.3	21.9	0	0	111	R291 L292 Y304 T339	R291-Q302 WeakPolarHBondContact CA-O 3.2Å; L292-Q302 HydrophobicContact CB-CB 4.08Å; L292-Q302 HydrophobicContact CD1-CB 4.09Å; L292-Q302 HydrophobicContact CG-CB 4.21Å; L292-Q302 PolarHBondContact N-O 2.81Å; L292-Q302 PolarHBondContact O-N 2.74Å; Q302-Y304 HydrophobicContact CB-CE2 4.48Å; Q302-Y304 HydrophobicContact CG-CD2 4Å; Q302-Y304 HydrophobicContact CG-CE1 4.29Å; Q302-Y304 HydrophobicContact CG-CE2 3.47Å; Q302-Y304 VanDerWaalsContact CG-CE2 3.47Å; Q302-T339 PolarHBondContact NE2-O 2.97Å
303	T	98.1	Very high	96.4	Very high	39 Å²	39	42 Å²	42	24%	0.239	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115	173.7	-60.2	0	0	0	0	109.6	T289 R291 I300	T289-T303 HydrophobicContact CG2-CG2 4.02Å; R291-T303 HydrophobicContact CG-CG2 3.94Å; I300-T303 WeakPolarHBondContact CG2-OG1 3.46Å
304	Y	97.9	Very high	96.3	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.6	170	-60.9	-81.5	0	0	0	109.5	T289 L290 L292 Q302 Y334	T289-Y304 VanDerWaalsContact CA-O 3.29Å; T289-Y304 WeakPolarHBondContact CA-O 3.49Å; L290-Y304 HydrophobicContact CD2-CD2 4.43Å; L290-Y304 PolarHBondContact N-O 3.4Å; L290-Y304 PolarHBondContact O-N 3.09Å; L292-Y304 HydrophobicContact CD1-CE2 4.29Å; Q302-Y304 HydrophobicContact CB-CE2 4.48Å; Q302-Y304 HydrophobicContact CG-CD2 4Å; Q302-Y304 HydrophobicContact CG-CE1 4.29Å; Q302-Y304 HydrophobicContact CG-CE2 3.47Å; Q302-Y304 VanDerWaalsContact CG-CE2 3.47Å; Y304-Y334 AromaticContact CD1-CD1 3.45Å; Y304-Y334 HydrophobicContact CD1-CD1 3.45Å; Y304-Y334 VanDerWaalsContact CD1-CD1 3.45Å; Y304-Y334 AromaticContact CD1-CE1 3.54Å; Y304-Y334 HydrophobicContact CD1-CE1 3.54Å; Y304-Y334 HydrophobicContact CD2-CD1 4.23Å; Y304-Y334 HydrophobicContact CD2-CE1 4.5Å; Y304-Y334 AromaticContact CE1-CD1 3.7Å; Y304-Y334 HydrophobicContact CE1-CD1 3.7Å; Y304-Y334 HydrophobicContact CE1-CE1 4.25Å; Y304-Y334 HydrophobicContact CE2-CD1 4.46Å; Y304-Y334 AromaticContact CG-CD1 3.72Å; Y304-Y334 HydrophobicContact CG-CD1 3.72Å; Y304-Y334 AromaticContact CG-CE1 3.66Å; Y304-Y334 HydrophobicContact CG-CE1 3.66Å
305	H	97.2	Very high	96.3	Very high	144 Å²	144	42.8 Å²	42.8	67%	0.667	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	126	176.6	-66	81.3	0	0	0	109.3
306	C	96	Very high	96.2	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.068	23%	0.232	C	C	.	.			trans	-105.2	153.9	177.5	-57	0	0	0	0	109.8	K288 V308 I310 M332 Y334	K288-C306 VanDerWaalsContact CB-O 3.29Å; K288-C306 WeakPolarHBondContact CB-O 3.22Å; K288-C306 PolarHBondContact O-N 2.87Å; C306-V308 WeakPolarHBondContact CB-O 3.3Å; C306-V308 PolarHBondContact O-N 2.92Å; C306-I310 HydrophobicContact CB-CD1 4.2Å; C306-I310 HydrophobicContact CB-CG1 4.28Å; C306-I310 WeakPolarHBondContact SG-CD1 3.24Å; C306-M332 HydrophobicContact CB-SD 3.94Å; C306-Y334 PolarHBondContact SG-OH 2.92Å
307	P	95.2	Very high	95.8	Very high	89 Å²	89	40 Å²	40	58%	0.578	23%	0.229	S	C	*	.	S	Bend	trans	-68.8	-22.7	176.2	25.8	-32.7	0	0	0	112.9	K288	K288-P307 PolarHBondContact NZ-O 2.87Å
308	V	97.2	Very high	95.6	Very high	37 Å²	37	38 Å²	38	22%	0.224	22%	0.218	C	C	.	.	S	Bend	trans	-135.9	154.9	-170.8	-172	0	0	0	0	110.2	C306 C326 A327 N328	C306-V308 WeakPolarHBondContact CB-O 3.3Å; C306-V308 PolarHBondContact O-N 2.92Å; V308-C326 HydrophobicContact CB-CB 4.43Å; V308-A327 HydrophobicContact CG1-CB 3.71Å; V308-N328 HydrophobicContact CG1-CB 4.28Å; V308-N328 HydrophobicContact CG2-CB 4.38Å
309	G	97.9	Very high	95.2	Very high	8 Å²	8	36.7 Å²	36.7	8%	0.082	21%	0.212	C	C	.	.			trans	-61.1	144.8	176.1	0	0	0	0	0	112.2	C326 A327	G309-C326 WeakPolarHBondContact O-CA 3.48Å; G309-A327 PolarHBondContact O-N 2.91Å
310	I	98.5	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.3	-171.8	-42.9	178.3	0	0	0	109.4	R268 A284 S285 T289 L290 C306 S312 A324 G325	R268-I310 WeakPolarHBondContact CB-O 3.22Å; R268-I310 VanDerWaalsContact CG-O 3.31Å; R268-I310 WeakPolarHBondContact CG-O 3.46Å; A284-I310 HydrophobicContact CB-CB 3.96Å; A284-I310 HydrophobicContact CB-CG2 3.59Å; S285-I310 CarbonylContact C-O 3.51Å; S285-I310 PolarHBondContact O-N 2.6Å; T289-I310 VanDerWaalsContact C-CD1 3.47Å; T289-I310 WeakPolarHBondContact O-CD1 3.25Å; L290-I310 HydrophobicContact CB-CD1 3.67Å; C306-I310 HydrophobicContact CB-CD1 4.2Å; C306-I310 HydrophobicContact CB-CG1 4.28Å; C306-I310 WeakPolarHBondContact SG-CD1 3.24Å; I310-S312 WeakPolarHBondContact CG2-O 3.42Å; I310-A324 HydrophobicContact CD1-CB 4.42Å; I310-A324 HydrophobicContact CG2-CB 3.85Å; I310-G325 WeakPolarHBondContact CG2-O 3.45Å
311	W	97.8	Very high	94.9	Very high	59 Å²	59	35.1 Å²	35.1	22%	0.223	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-30.4	-176.8	-82.2	78.2	0	0	0	113.7	R268 G325 A327 P354 V355 L356	R268-W311 VanDerWaalsContact CB-O 3.3Å; R268-W311 WeakPolarHBondContact CB-O 3.49Å; W311-G325 PolarHBondContact N-O 3.15Å; W311-A327 VanDerWaalsContact CD1-CA 3.48Å; W311-A327 VanDerWaalsContact NE1-CB 3.31Å; W311-P354 HydrophobicContact CD2-CB 4.2Å; W311-P354 HydrophobicContact CG-CB 4.22Å; W311-V355 WeakPolarHBondContact CB-O 3.46Å; W311-L356 HydrophobicContact CD2-CD2 4.29Å; W311-L356 HydrophobicContact CE3-CD2 3.53Å; W311-L356 HydrophobicContact CZ3-CD2 3.74Å
312	S	98	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156	-178.4	52.7	0	0	0	0	111.8	D269 I310 G325 V355 L358	D269-S312 VanDerWaalsContact OD2-CA 3.29Å; D269-S312 WeakPolarHBondContact OD2-CA 3.38Å; I310-S312 WeakPolarHBondContact CG2-O 3.42Å; S312-G325 PolarHBondContact N-O 2.76Å; S312-G325 PolarHBondContact O-N 3.42Å; S312-V355 PolarHBondContact OG-O 2.76Å; S312-L358 WeakPolarHBondContact OG-CG 3.48Å
313	C	98.1	Very high	95	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.6	171.3	60.5	0	0	0	0	111.3	D269 A284 L290 L322 F323	D269-C313 PolarHBondContact OD2-N 3.16Å; A284-C313 HydrophobicContact CB-CB 3.99Å; L290-C313 HydrophobicContact CD1-CB 3.88Å; C313-L322 HydrophobicContact CB-CD1 4.5Å; C313-F323 WeakPolarHBondContact CA-O 3.33Å; C313-F323 WeakPolarHBondContact CB-O 3.39Å
314	C	96.9	Very high	95	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.061	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.2	172.6	75.7	0	0	0	0	111.4	L322 F323 L358 L375	C314-L322 WeakPolarHBondContact O-CD1 3.03Å; C314-F323 PolarHBondContact N-O 3.03Å; C314-F323 VanDerWaalsContact N-O 3.16Å; C314-F323 WeakPolarHBondContact O-CD2 3.38Å; C314-F323 PolarHBondContact O-N 3.37Å; C314-L358 HydrophobicContact CB-CB 4.09Å; C314-L375 WeakPolarHBondContact SG-CD1 3.45Å
315	W	95.8	Very high	95	Very high	20 Å²	20	27.3 Å²	27.3	8%	0.076	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	150	173.6	-66.3	94	0	0	0	111.2	A271 F272 H273 P274 I280 A282 L292 L322 I336 Y360	A271-W315 PolarHBondContact O-NE1 3.47Å; F272-W315 PolarHBondContact O-NE1 3.3Å; H273-W315 HydrophobicContact CB-CZ2 4.25Å; H273-W315 AromaticContact CD2-CE3 3.97Å; H273-W315 AromaticContact CD2-CH2 3.69Å; H273-W315 AromaticContact CD2-CZ3 3.64Å; P274-W315 HydrophobicContact CG-CB 3.65Å; P274-W315 HydrophobicContact CG-CG 4.2Å; I280-W315 HydrophobicContact CG2-CZ2 4.4Å; A282-W315 HydrophobicContact CB-CZ2 3.94Å; L292-W315 HydrophobicContact CD1-CH2 4.3Å; L292-W315 HydrophobicContact CD2-CH2 3.84Å; L292-W315 HydrophobicContact CD2-CZ2 3.7Å; W315-L322 HydrophobicContact CD2-CB 4.42Å; W315-L322 HydrophobicContact CD2-CD1 3.83Å; W315-L322 HydrophobicContact CE3-CB 3.98Å; W315-L322 HydrophobicContact CE3-CD1 4.27Å; W315-L322 HydrophobicContact CG-CD1 4.12Å; W315-L322 HydrophobicContact CH2-CB 4.41Å; W315-L322 HydrophobicContact CH2-CD2 4.18Å; W315-L322 HydrophobicContact CZ2-CD1 4.29Å; W315-L322 HydrophobicContact CZ2-CD2 4.18Å; W315-L322 HydrophobicContact CZ3-CB 3.98Å; W315-I336 HydrophobicContact CH2-CG2 3.74Å; W315-I336 HydrophobicContact CZ3-CG2 3.62Å; W315-Y360 VanDerWaalsContact O-CB 3.24Å; W315-Y360 WeakPolarHBondContact O-CB 3.45Å
316	A	92.7	Very high	95.1	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.025	12%	0.123	C	C	.	.			trans	-75	170.5	164	0	0	0	0	0	110.9	P274 D318 R321 F323 Y360	P274-A316 WeakPolarHBondContact CG-O 3.48Å; A316-D318 PolarHBondContact O-N 3.1Å; A316-R321 HydrophobicContact CB-CB 3.63Å; A316-R321 PolarHBondContact N-O 2.92Å; A316-F323 HydrophobicContact CB-CE2 3.92Å; A316-Y360 HydrophobicContact CB-CD2 4.11Å; A316-Y360 HydrophobicContact CB-CE1 4.49Å; A316-Y360 HydrophobicContact CB-CE2 4.01Å; A316-Y360 HydrophobicContact CB-CG 4.39Å
317	G	84.2	Confident	95.1	Very high	47 Å²	47	21.5 Å²	21.5	49%	0.485	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12	177.5	0	0	0	0	0	115.3	Y360	G317-Y360 VanDerWaalsContact N-CE1 3.34Å
318	D	86.3	Confident	95.2	Very high	60 Å²	60	19.9 Å²	19.9	32%	0.321	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	13.4	-175.1	67.2	8.6	0	0	0	114.5	A316 N320 R321	A316-D318 PolarHBondContact O-N 3.1Å; D318-N320 PolarHBondContact O-N 3.47Å; D318-N320 PolarHBondContact O-ND2 2.86Å; D318-N320 PolarHBondContact OD1-N 2.79Å; D318-R321 PolarHBondContact OD1-N 2.86Å; D318-R321 IonicContact OD1-NE 2.7Å; D318-R321 IonicContact OD2-CZ 3.22Å; D318-R321 IonicContact OD2-NE 2.8Å; D318-R321 PolarHBondContact OD2-NE 3.42Å; D318-R321 IonicContact OD2-NH2 2.81Å; D318-R321 PolarHBondContact OD2-NH2 3.21Å
319	S	85.8	Confident	95.1	Very high	9 Å²	9	18.1 Å²	18.1	6%	0.063	11%	0.109	C	C	.	.	S	Bend	trans	62.3	-7.4	177.5	-58.8	0	0	0	0	116.3	H273 E275	H273-S319 PolarHBondContact CD2-O 2.85Å; H273-S319 PolarHBondContact NE2-O 3.21Å; E275-S319 WeakPolarHBondContact CG-OG 3.05Å; E275-S319 WeakPolarHBondContact OE1-CB 3.45Å; E275-S319 PolarHBondContact OE1-OG 3.14Å
320	N	92.3	Very high	95.1	Very high	49 Å²	49	17.9 Å²	17.9	26%	0.262	11%	0.106	S	C	.	.	S	Bend	trans	-107.6	-29.3	-174.8	-69.4	-72.9	0	0	0	112.3	D318 D335 I336	D318-N320 PolarHBondContact O-N 3.47Å; D318-N320 PolarHBondContact O-ND2 2.86Å; D318-N320 PolarHBondContact OD1-N 2.79Å; N320-D335 WeakPolarHBondContact O-CA 3.46Å; N320-I336 HydrophobicContact CB-CG1 4.42Å; N320-I336 PolarHBondContact O-N 3.33Å
321	R	94.4	Very high	95.1	Very high	25 Å²	25	17.9 Å²	17.9	9%	0.094	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.2	-177.3	-69.7	-179.6	-67.9	166.8	-10.5	112.5	A316 D318 L333 Y334 E388 Y444	A316-R321 HydrophobicContact CB-CB 3.63Å; A316-R321 PolarHBondContact N-O 2.92Å; D318-R321 PolarHBondContact OD1-N 2.86Å; D318-R321 IonicContact OD1-NE 2.7Å; D318-R321 IonicContact OD2-CZ 3.22Å; D318-R321 IonicContact OD2-NE 2.8Å; D318-R321 PolarHBondContact OD2-NE 3.42Å; D318-R321 IonicContact OD2-NH2 2.81Å; D318-R321 PolarHBondContact OD2-NH2 3.21Å; R321-L333 HydrophobicContact CB-CD1 3.81Å; R321-L333 HydrophobicContact CG-CD1 3.93Å; R321-Y334 CarbonylContact C-O 3.54Å; R321-Y334 VanDerWaalsContact CA-O 3.25Å; R321-Y334 WeakPolarHBondContact CA-O 3.47Å; R321-E388 IonicContact CZ-OE1 2.77Å; R321-E388 VanDerWaalsContact CZ-OE1 3.28Å; R321-E388 IonicContact CZ-OE2 2.71Å; R321-E388 IonicContact NH1-OE1 3.41Å; R321-E388 PolarHBondContact NH1-OE1 2.88Å; R321-E388 IonicContact NH1-OE2 3.73Å; R321-E388 PolarHBondContact NH1-OE2 2.9Å; R321-E388 IonicContact NH2-OE1 2.87Å; R321-E388 PolarHBondContact NH2-OE1 3.12Å; R321-E388 IonicContact NH2-OE2 2.68Å; R321-Y444 PolarHBondContact NH1-OH 3.01Å
322	L	96.7	Very high	95	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132	179.3	177	62.5	0	0	0	109.4	A282 L290 L292 C313 C314 W315 Y334	A282-L322 HydrophobicContact CB-CD1 4.01Å; A282-L322 HydrophobicContact CB-CD2 3.97Å; L290-L322 HydrophobicContact CD1-CD2 4.39Å; L290-L322 HydrophobicContact CD2-CD2 3.47Å; L290-L322 VanDerWaalsContact CD2-CD2 3.47Å; L290-L322 HydrophobicContact CD2-CG 3.91Å; L290-L322 HydrophobicContact CG-CD2 4.03Å; L292-L322 HydrophobicContact CD2-CD2 3.71Å; C313-L322 HydrophobicContact CB-CD1 4.5Å; C314-L322 WeakPolarHBondContact O-CD1 3.03Å; W315-L322 HydrophobicContact CD2-CB 4.42Å; W315-L322 HydrophobicContact CD2-CD1 3.83Å; W315-L322 HydrophobicContact CE3-CB 3.98Å; W315-L322 HydrophobicContact CE3-CD1 4.27Å; W315-L322 HydrophobicContact CG-CD1 4.12Å; W315-L322 HydrophobicContact CH2-CB 4.41Å; W315-L322 HydrophobicContact CH2-CD2 4.18Å; W315-L322 HydrophobicContact CZ2-CD1 4.29Å; W315-L322 HydrophobicContact CZ2-CD2 4.18Å; W315-L322 HydrophobicContact CZ3-CB 3.98Å; L322-Y334 PolarHBondContact N-O 3.31Å; L322-Y334 PolarHBondContact O-N 2.86Å
323	F	97.8	Very high	95	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.4	176.4	-57.5	-86	0	0	0	110.8	C313 C314 A316 I331 M332 L333 F346 L358 Y360 L375 Y444	C313-F323 WeakPolarHBondContact CA-O 3.33Å; C313-F323 WeakPolarHBondContact CB-O 3.39Å; C314-F323 PolarHBondContact N-O 3.03Å; C314-F323 VanDerWaalsContact N-O 3.16Å; C314-F323 WeakPolarHBondContact O-CD2 3.38Å; C314-F323 PolarHBondContact O-N 3.37Å; A316-F323 HydrophobicContact CB-CE2 3.92Å; F323-I331 HydrophobicContact CD1-CG2 4.4Å; F323-M332 CarbonylContact C-O 3.59Å; F323-M332 WeakPolarHBondContact CA-O 3.45Å; F323-L333 HydrophobicContact CD1-CB 4.21Å; F323-L333 HydrophobicContact CD1-CD1 4.06Å; F323-L333 HydrophobicContact CE1-CB 4.14Å; F323-L333 HydrophobicContact CE1-CD1 3.59Å; F323-L333 HydrophobicContact CE1-CG 4.28Å; F323-L333 HydrophobicContact CZ-CD1 3.9Å; F323-F346 HydrophobicContact CD1-CZ 4.02Å; F323-F346 HydrophobicContact CE1-CE1 4.49Å; F323-F346 AromaticContact CE1-CZ 3.97Å; F323-F346 HydrophobicContact CE1-CZ 3.97Å; F323-L358 HydrophobicContact CB-CD1 3.92Å; F323-Y360 AromaticContact CE2-CD2 3.75Å; F323-Y360 HydrophobicContact CE2-CD2 3.75Å; F323-Y360 HydrophobicContact CE2-CE2 4.21Å; F323-Y360 HydrophobicContact CZ-CD2 4.3Å; F323-Y360 HydrophobicContact CZ-CE2 4.4Å; F323-L375 HydrophobicContact CB-CD2 4.39Å; F323-L375 HydrophobicContact CD1-CD2 3.85Å; F323-L375 HydrophobicContact CD2-CD1 4.02Å; F323-L375 HydrophobicContact CE1-CD2 4.28Å; F323-L375 HydrophobicContact CE2-CD1 4.41Å; F323-L375 HydrophobicContact CG-CD1 4.15Å; F323-L375 HydrophobicContact CG-CD2 4.04Å; F323-Y444 HydrophobicContact CE1-CE1 4.4Å; F323-Y444 HydrophobicContact CE1-CE2 4.13Å; F323-Y444 AromaticContact CE1-CZ 3.84Å; F323-Y444 HydrophobicContact CZ-CE1 4.3Å; F323-Y444 HydrophobicContact CZ-CE2 4.48Å; F323-Y444 AromaticContact CZ-CZ 3.78Å; F323-Y444 VanDerWaalsContact CZ-OH 3.31Å; F323-Y444 WeakPolarHBondContact CZ-OH 3.12Å
324	A	98.5	Very high	94.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.4	170.8	0	0	0	0	0	110.3	L290 I310 I331 M332 Y334	L290-A324 HydrophobicContact CD1-CB 4.46Å; L290-A324 HydrophobicContact CD2-CB 4.04Å; I310-A324 HydrophobicContact CD1-CB 4.42Å; I310-A324 HydrophobicContact CG2-CB 3.85Å; A324-I331 WeakPolarHBondContact O-CA 3.34Å; A324-M332 HydrophobicContact CB-CB 4.44Å; A324-M332 PolarHBondContact N-O 3.08Å; A324-M332 PolarHBondContact O-N 3.02Å; A324-Y334 HydrophobicContact CB-CE2 4.07Å
325	G	98.3	Very high	94.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.3	176.6	0	0	0	0	0	110.8	I310 W311 S312	I310-G325 WeakPolarHBondContact CG2-O 3.45Å; W311-G325 PolarHBondContact N-O 3.15Å; S312-G325 PolarHBondContact N-O 2.76Å; S312-G325 PolarHBondContact O-N 3.42Å
326	C	98	Very high	94.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	167.1	-170.6	-60	0	0	0	0	113.6	V308 G309 N328 G329 S330 V355	V308-C326 HydrophobicContact CB-CB 4.43Å; G309-C326 WeakPolarHBondContact O-CA 3.48Å; C326-N328 WeakPolarHBondContact CB-OD1 3.4Å; C326-N328 PolarHBondContact O-N 2.79Å; C326-G329 PolarHBondContact O-N 2.86Å; C326-S330 WeakPolarHBondContact CB-O 3.45Å; C326-S330 WeakPolarHBondContact CB-OG 3.43Å; C326-S330 PolarHBondContact N-O 2.97Å; C326-V355 PolarHBondContact O-N 2.84Å; C326-V355 VanDerWaalsContact O-N 3.12Å
327	A	96.9	Very high	94.7	Very high	33 Å²	33	24.9 Å²	24.9	27%	0.273	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21	-179.6	0	0	0	0	0	114.4	V308 G309 W311 P354	V308-A327 HydrophobicContact CG1-CB 3.71Å; G309-A327 PolarHBondContact O-N 2.91Å; W311-A327 VanDerWaalsContact CD1-CA 3.48Å; W311-A327 VanDerWaalsContact NE1-CB 3.31Å; A327-P354 WeakPolarHBondContact O-CG 3.25Å
328	N	96.1	Very high	95.1	Very high	54 Å²	54	24.4 Å²	24.4	29%	0.289	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	14.5	178.6	66.9	-26.5	0	0	0	113	V308 C326 S330 D352	V308-N328 HydrophobicContact CG1-CB 4.28Å; V308-N328 HydrophobicContact CG2-CB 4.38Å; C326-N328 WeakPolarHBondContact CB-OD1 3.4Å; C326-N328 PolarHBondContact O-N 2.79Å; N328-S330 VanDerWaalsContact C-N 3.28Å; N328-S330 PolarHBondContact O-N 3.05Å; N328-S330 PolarHBondContact OD1-N 3.31Å; N328-S330 PolarHBondContact OD1-OG 2.91Å; N328-D352 CarbonylContact C-O 3.53Å; N328-D352 VanDerWaalsContact C-O 3.29Å
329	G	96.4	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	81.2	-5.2	-180	0	0	0	0	0	115.8	C326 D352 A353	C326-G329 PolarHBondContact O-N 2.86Å; G329-D352 PolarHBondContact N-O 3.01Å; G329-A353 VanDerWaalsContact CA-O 3.25Å; G329-A353 WeakPolarHBondContact CA-O 3.48Å
330	S	97.1	Very high	95.7	Very high	3 Å²	3	31 Å²	31	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	143.8	175.2	66.4	0	0	0	0	111.4	C326 N328 Y347	C326-S330 WeakPolarHBondContact CB-O 3.45Å; C326-S330 WeakPolarHBondContact CB-OG 3.43Å; C326-S330 PolarHBondContact N-O 2.97Å; N328-S330 VanDerWaalsContact C-N 3.28Å; N328-S330 PolarHBondContact O-N 3.05Å; N328-S330 PolarHBondContact OD1-N 3.31Å; N328-S330 PolarHBondContact OD1-OG 2.91Å; S330-Y347 VanDerWaalsContact CB-CE1 3.48Å
331	I	98	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.3	172.4	-55.6	143.5	0	0	0	106.9	F323 A324 V345 F346 V348 V355 L375 V377 M386	F323-I331 HydrophobicContact CD1-CG2 4.4Å; A324-I331 WeakPolarHBondContact O-CA 3.34Å; I331-V345 WeakPolarHBondContact O-CA 3.44Å; I331-F346 HydrophobicContact CB-CD2 3.76Å; I331-F346 HydrophobicContact CB-CE2 3.52Å; I331-F346 HydrophobicContact CB-CZ 4.15Å; I331-F346 HydrophobicContact CD1-CD2 3.85Å; I331-F346 HydrophobicContact CD1-CE2 3.84Å; I331-F346 HydrophobicContact CG1-CD2 4.46Å; I331-F346 HydrophobicContact CG1-CE2 4.3Å; I331-F346 HydrophobicContact CG2-CD2 4.12Å; I331-F346 HydrophobicContact CG2-CE2 3.34Å; I331-F346 HydrophobicContact CG2-CZ 3.6Å; I331-F346 PolarHBondContact N-O 3.29Å; I331-F346 PolarHBondContact O-N 2.82Å; I331-V348 HydrophobicContact CD1-CG2 4.32Å; I331-V355 HydrophobicContact CG1-CG2 3.99Å; I331-L375 HydrophobicContact CG2-CD2 3.75Å; I331-V377 HydrophobicContact CD1-CB 4.48Å; I331-V377 HydrophobicContact CD1-CG1 3.82Å; I331-V377 HydrophobicContact CD1-CG2 3.86Å; I331-V377 HydrophobicContact CG1-CG1 4.39Å; I331-M386 HydrophobicContact CD1-CE 3.35Å; I331-M386 HydrophobicContact CD1-SD 3.84Å
332	M	97.3	Very high	95.7	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.7	-176.9	-55.6	179	80.2	0	0	109	C306 F323 A324 Y334 P342 V345	C306-M332 HydrophobicContact CB-SD 3.94Å; F323-M332 CarbonylContact C-O 3.59Å; F323-M332 WeakPolarHBondContact CA-O 3.45Å; A324-M332 HydrophobicContact CB-CB 4.44Å; A324-M332 PolarHBondContact N-O 3.08Å; A324-M332 PolarHBondContact O-N 3.02Å; M332-Y334 HydrophobicContact CB-CD2 4.4Å; M332-Y334 HydrophobicContact CB-CE2 3.6Å; M332-Y334 VanDerWaalsContact CE-OH 3.23Å; M332-Y334 WeakPolarHBondContact CE-OH 3.21Å; M332-P342 HydrophobicContact CB-CB 4.27Å; M332-P342 HydrophobicContact CE-CB 4.03Å; M332-P342 HydrophobicContact CE-CG 3.62Å; M332-V345 HydrophobicContact CB-CG2 4.5Å; M332-V345 HydrophobicContact CE-CG2 4.22Å; M332-V345 HydrophobicContact CG-CG1 4.25Å; M332-V345 HydrophobicContact CG-CG2 4.11Å
333	L	97	Very high	95.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.9	174.3	166.7	61.1	0	0	0	109.6	R321 F323 P342 I343 D344 F346 Y444	R321-L333 HydrophobicContact CB-CD1 3.81Å; R321-L333 HydrophobicContact CG-CD1 3.93Å; F323-L333 HydrophobicContact CD1-CB 4.21Å; F323-L333 HydrophobicContact CD1-CD1 4.06Å; F323-L333 HydrophobicContact CE1-CB 4.14Å; F323-L333 HydrophobicContact CE1-CD1 3.59Å; F323-L333 HydrophobicContact CE1-CG 4.28Å; F323-L333 HydrophobicContact CZ-CD1 3.9Å; L333-P342 CarbonylContact O-C 3.52Å; L333-P342 VanDerWaalsContact O-CA 3.27Å; L333-P342 WeakPolarHBondContact O-CA 3.47Å; L333-I343 PolarHBondContact O-N 2.82Å; L333-D344 HydrophobicContact CB-CB 4.43Å; L333-D344 HydrophobicContact CD2-CB 4.49Å; L333-D344 PolarHBondContact N-O 2.89Å; L333-D344 PolarHBondContact O-N 3.2Å; L333-F346 HydrophobicContact CB-CE1 4.02Å; L333-Y444 HydrophobicContact CD2-CE2 4.03Å
334	Y	96.6	Very high	95.5	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.8	173.1	-62.8	-91.4	0	0	0	110.2	L290 Y304 C306 R321 L322 A324 M332 P342	L290-Y334 HydrophobicContact CD2-CD2 3.82Å; L290-Y334 HydrophobicContact CD2-CE2 3.88Å; L290-Y334 HydrophobicContact CD2-CG 4.49Å; Y304-Y334 AromaticContact CD1-CD1 3.45Å; Y304-Y334 HydrophobicContact CD1-CD1 3.45Å; Y304-Y334 VanDerWaalsContact CD1-CD1 3.45Å; Y304-Y334 AromaticContact CD1-CE1 3.54Å; Y304-Y334 HydrophobicContact CD1-CE1 3.54Å; Y304-Y334 HydrophobicContact CD2-CD1 4.23Å; Y304-Y334 HydrophobicContact CD2-CE1 4.5Å; Y304-Y334 AromaticContact CE1-CD1 3.7Å; Y304-Y334 HydrophobicContact CE1-CD1 3.7Å; Y304-Y334 HydrophobicContact CE1-CE1 4.25Å; Y304-Y334 HydrophobicContact CE2-CD1 4.46Å; Y304-Y334 AromaticContact CG-CD1 3.72Å; Y304-Y334 HydrophobicContact CG-CD1 3.72Å; Y304-Y334 AromaticContact CG-CE1 3.66Å; Y304-Y334 HydrophobicContact CG-CE1 3.66Å; C306-Y334 PolarHBondContact SG-OH 2.92Å; R321-Y334 CarbonylContact C-O 3.54Å; R321-Y334 VanDerWaalsContact CA-O 3.25Å; R321-Y334 WeakPolarHBondContact CA-O 3.47Å; L322-Y334 PolarHBondContact N-O 3.31Å; L322-Y334 PolarHBondContact O-N 2.86Å; A324-Y334 HydrophobicContact CB-CE2 4.07Å; M332-Y334 HydrophobicContact CB-CD2 4.4Å; M332-Y334 HydrophobicContact CB-CE2 3.6Å; M332-Y334 VanDerWaalsContact CE-OH 3.23Å; M332-Y334 WeakPolarHBondContact CE-OH 3.21Å; Y334-P342 HydrophobicContact CD1-CB 4.3Å; Y334-P342 HydrophobicContact CE1-CB 3.92Å; Y334-P342 HydrophobicContact CE1-CG 4.45Å; Y334-P342 VanDerWaalsContact CE1-N 3.3Å
335	D	94.3	Very high	95.3	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.1	161.9	-179.3	-27.3	0	0	0	107	N320 R337 V338 I343	N320-D335 WeakPolarHBondContact O-CA 3.46Å; D335-R337 PolarHBondContact O-N 2.82Å; D335-R337 VanDerWaalsContact O-N 3.1Å; D335-R337 WeakPolarHBondContact OD1-CB 3.3Å; D335-R337 VanDerWaalsContact OD1-CG 3.24Å; D335-R337 WeakPolarHBondContact OD1-CG 3.39Å; D335-R337 IonicContact OD1-CZ 3.64Å; D335-R337 PolarHBondContact OD1-N 3.23Å; D335-R337 IonicContact OD1-NE 3.29Å; D335-R337 PolarHBondContact OD1-NE 3.49Å; D335-R337 IonicContact OD1-NH2 3.9Å; D335-R337 IonicContact OD2-CZ 3.57Å; D335-R337 VanDerWaalsContact OD2-CZ 3.23Å; D335-R337 IonicContact OD2-NE 3.13Å; D335-R337 PolarHBondContact OD2-NE 3.28Å; D335-R337 IonicContact OD2-NH2 3.8Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å; D335-V338 HydrophobicContact CB-CG2 4.47Å; D335-V338 CarbonylContact O-C 3.58Å; D335-V338 WeakPolarHBondContact O-CA 3.41Å; D335-V338 PolarHBondContact O-N 3.18Å; D335-I343 HydrophobicContact CB-CD1 3.1Å; D335-I343 HydrophobicContact CB-CG1 4.21Å
336	I	93.7	Very high	95.1	Very high	45 Å²	45	39 Å²	39	23%	0.231	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.8	-177	64.2	-179.7	0	0	0	113.2	L292 W315 N320 V338	L292-I336 HydrophobicContact CD1-CG2 3.83Å; W315-I336 HydrophobicContact CH2-CG2 3.74Å; W315-I336 HydrophobicContact CZ3-CG2 3.62Å; N320-I336 HydrophobicContact CB-CG1 4.42Å; N320-I336 PolarHBondContact O-N 3.33Å; I336-V338 VanDerWaalsContact C-N 3.28Å
337	R	93.1	Very high	95.1	Very high	175 Å²	175	44.6 Å²	44.6	66%	0.66	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.7	173.1	-55.1	171.9	-65.9	-176.5	1.4	112	D335	D335-R337 PolarHBondContact O-N 2.82Å; D335-R337 VanDerWaalsContact O-N 3.1Å; D335-R337 WeakPolarHBondContact OD1-CB 3.3Å; D335-R337 VanDerWaalsContact OD1-CG 3.24Å; D335-R337 WeakPolarHBondContact OD1-CG 3.39Å; D335-R337 IonicContact OD1-CZ 3.64Å; D335-R337 PolarHBondContact OD1-N 3.23Å; D335-R337 IonicContact OD1-NE 3.29Å; D335-R337 PolarHBondContact OD1-NE 3.49Å; D335-R337 IonicContact OD1-NH2 3.9Å; D335-R337 IonicContact OD2-CZ 3.57Å; D335-R337 VanDerWaalsContact OD2-CZ 3.23Å; D335-R337 IonicContact OD2-NE 3.13Å; D335-R337 PolarHBondContact OD2-NE 3.28Å; D335-R337 IonicContact OD2-NH2 3.8Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å
338	V	93	Very high	95	Very high	37 Å²	37	43.1 Å²	43.1	22%	0.224	23%	0.225	C	C	.	.			trans	-111	94.4	177	-175.6	0	0	0	0	109.1	D335 I336 T340 L438	D335-V338 HydrophobicContact CB-CG2 4.47Å; D335-V338 CarbonylContact O-C 3.58Å; D335-V338 WeakPolarHBondContact O-CA 3.41Å; D335-V338 PolarHBondContact O-N 3.18Å; I336-V338 VanDerWaalsContact C-N 3.28Å; V338-T340 VanDerWaalsContact C-N 3.34Å; V338-T340 PolarHBondContact O-N 3.23Å; V338-L438 HydrophobicContact CG2-CD2 4.06Å
339	T	93.2	Very high	94.9	Very high	75 Å²	75	43.2 Å²	43.2	46%	0.46	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.6	-172.9	56.2	0	0	0	0	114.3	Q302	Q302-T339 PolarHBondContact NE2-O 2.97Å
340	T	91.5	Very high	94.7	Very high	134 Å²	134	51.4 Å²	51.4	82%	0.822	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.1	-173.1	50	0	0	0	0	114.2	V338	V338-T340 VanDerWaalsContact C-N 3.34Å; V338-T340 PolarHBondContact O-N 3.23Å
341	G	92	Very high	94.5	Very high	17 Å²	17	51.9 Å²	51.9	18%	0.175	28%	0.275	C	S	.	.	S	Bend	trans	162.8	-172.1	-175.5	0	0	0	0	0	112.8
342	P	95	Very high	94.3	Very high	50 Å²	50	57.7 Å²	57.7	33%	0.325	31%	0.306	S	S	.	.			trans	-65.9	143.6	173.5	32.4	-38.4	0	0	0	110.2	M332 L333 Y334 V345	M332-P342 HydrophobicContact CB-CB 4.27Å; M332-P342 HydrophobicContact CE-CB 4.03Å; M332-P342 HydrophobicContact CE-CG 3.62Å; L333-P342 CarbonylContact O-C 3.52Å; L333-P342 VanDerWaalsContact O-CA 3.27Å; L333-P342 WeakPolarHBondContact O-CA 3.47Å; Y334-P342 HydrophobicContact CD1-CB 4.3Å; Y334-P342 HydrophobicContact CE1-CB 3.92Å; Y334-P342 HydrophobicContact CE1-CG 4.45Å; Y334-P342 VanDerWaalsContact CE1-N 3.3Å; P342-V345 HydrophobicContact CB-CG2 4.09Å; P342-V345 HydrophobicContact CG-CG2 3.99Å
343	I	94.2	Very high	94.2	Very high	37 Å²	37	58.2 Å²	58.2	19%	0.19	31%	0.312	C	S	.	.	S	Bend	trans	-75.2	-38.4	169.6	-65.3	166.8	0	0	0	110.3	L333 D335 L438 I441	L333-I343 PolarHBondContact O-N 2.82Å; D335-I343 HydrophobicContact CB-CD1 3.1Å; D335-I343 HydrophobicContact CB-CG1 4.21Å; I343-L438 HydrophobicContact CD1-CD2 4.34Å; I343-L438 HydrophobicContact CG1-CD2 4.02Å; I343-L438 HydrophobicContact CG2-CD2 4.11Å; I343-I441 HydrophobicContact CG2-CB 4.21Å; I343-I441 HydrophobicContact CG2-CD1 3.35Å; I343-I441 HydrophobicContact CG2-CG1 3.52Å; I343-I441 HydrophobicContact CG2-CG2 3.63Å
344	D	94.4	Very high	94.2	Very high	62 Å²	62	60 Å²	60	33%	0.332	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155.1	-178.5	-162.9	11.2	0	0	0	110.8	L333 I441	L333-D344 HydrophobicContact CB-CB 4.43Å; L333-D344 HydrophobicContact CD2-CB 4.49Å; L333-D344 PolarHBondContact N-O 2.89Å; L333-D344 PolarHBondContact O-N 3.2Å; D344-I441 HydrophobicContact CB-CG2 4.44Å
345	V	95.5	Very high	94.2	Very high	51 Å²	51	59.9 Å²	59.9	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	116.6	175.9	-176	0	0	0	0	108.4	I331 M332 P342 Y347	I331-V345 WeakPolarHBondContact O-CA 3.44Å; M332-V345 HydrophobicContact CB-CG2 4.5Å; M332-V345 HydrophobicContact CE-CG2 4.22Å; M332-V345 HydrophobicContact CG-CG1 4.25Å; M332-V345 HydrophobicContact CG-CG2 4.11Å; P342-V345 HydrophobicContact CB-CG2 4.09Å; P342-V345 HydrophobicContact CG-CG2 3.99Å; V345-Y347 HydrophobicContact CG1-CE2 4.16Å
346	F	94.9	Very high	94.3	Very high	25 Å²	25	60.5 Å²	60.5	11%	0.11	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	165.2	-178.3	48.7	-94.6	0	0	0	111.8	F323 I331 L333 L375 M386 Y444	F323-F346 HydrophobicContact CD1-CZ 4.02Å; F323-F346 HydrophobicContact CE1-CE1 4.49Å; F323-F346 AromaticContact CE1-CZ 3.97Å; F323-F346 HydrophobicContact CE1-CZ 3.97Å; I331-F346 HydrophobicContact CB-CD2 3.76Å; I331-F346 HydrophobicContact CB-CE2 3.52Å; I331-F346 HydrophobicContact CB-CZ 4.15Å; I331-F346 HydrophobicContact CD1-CD2 3.85Å; I331-F346 HydrophobicContact CD1-CE2 3.84Å; I331-F346 HydrophobicContact CG1-CD2 4.46Å; I331-F346 HydrophobicContact CG1-CE2 4.3Å; I331-F346 HydrophobicContact CG2-CD2 4.12Å; I331-F346 HydrophobicContact CG2-CE2 3.34Å; I331-F346 HydrophobicContact CG2-CZ 3.6Å; I331-F346 PolarHBondContact N-O 3.29Å; I331-F346 PolarHBondContact O-N 2.82Å; L333-F346 HydrophobicContact CB-CE1 4.02Å; F346-L375 HydrophobicContact CE2-CD2 4.19Å; F346-L375 HydrophobicContact CZ-CD2 4.31Å; F346-M386 HydrophobicContact CD2-CE 4.09Å; F346-M386 HydrophobicContact CD2-SD 3.46Å; F346-M386 WeakPolarHBondContact CD2-SD 3.29Å; F346-M386 HydrophobicContact CE2-CE 4.43Å; F346-M386 HydrophobicContact CE2-SD 3.39Å; F346-M386 WeakPolarHBondContact CE2-SD 3.42Å; F346-Y444 HydrophobicContact CD1-CD2 4.21Å; F346-Y444 AromaticContact CE1-CD2 3.62Å; F346-Y444 HydrophobicContact CE1-CD2 3.62Å; F346-Y444 HydrophobicContact CE1-CE2 4.08Å; F346-Y444 HydrophobicContact CE1-CG 4.26Å; F346-Y444 HydrophobicContact CE2-CG 4.42Å; F346-Y444 AromaticContact CZ-CD2 3.82Å; F346-Y444 HydrophobicContact CZ-CD2 3.82Å; F346-Y444 HydrophobicContact CZ-CE2 4.26Å; F346-Y444 HydrophobicContact CZ-CG 4.07Å
347	Y	96.2	Very high	94.5	Very high	117 Å²	117	58.6 Å²	58.6	46%	0.459	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.3	-172.8	-65.4	-96.7	0	0	0	110.2	S330 V345	S330-Y347 VanDerWaalsContact CB-CE1 3.48Å; V345-Y347 HydrophobicContact CG1-CE2 4.16Å
348	V	95.5	Very high	94.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.012	29%	0.287	C	S	.	.			trans	-70.1	128.4	162.9	174.8	0	0	0	0	107.9	I331 N350 N351 V377 Q379 K382 T384 M386	I331-V348 HydrophobicContact CD1-CG2 4.32Å; V348-N350 PolarHBondContact O-N 3.13Å; V348-N351 HydrophobicContact CB-CB 4.34Å; V348-N351 HydrophobicContact CG1-CB 4.05Å; V348-N351 PolarHBondContact O-N 3.09Å; V348-V377 HydrophobicContact CG2-CB 4.39Å; V348-V377 HydrophobicContact CG2-CG1 3.9Å; V348-Q379 VanDerWaalsContact CG2-OE1 3.26Å; V348-K382 HydrophobicContact CG1-CD 3.99Å; V348-T384 HydrophobicContact CG1-CG2 4.45Å; V348-T384 WeakPolarHBondContact CG1-OG1 3.33Å; V348-T384 HydrophobicContact CG2-CG2 4.5Å; V348-M386 HydrophobicContact CB-CE 4.29Å; V348-M386 HydrophobicContact CG2-CE 3.39Å
349	P	93.6	Very high	94.8	Very high	56 Å²	56	50.6 Å²	50.6	36%	0.364	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	130.7	-178.7	-26.6	34	0	0	0	112.5	N351 K382 P446	P349-N351 VanDerWaalsContact C-N 3.28Å; P349-N351 PolarHBondContact O-N 2.96Å; P349-K382 PolarHBondContact O-NZ 3.08Å; P349-P446 HydrophobicContact CG-CB 4.11Å; P349-P446 HydrophobicContact CG-CG 3.62Å
350	N	92.2	Very high	94.9	Very high	172 Å²	172	48 Å²	48	92%	0.92	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	35.6	177.9	-54.1	-42.3	0	0	0	114	V348	V348-N350 PolarHBondContact O-N 3.13Å
351	N	93.4	Very high	95.1	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.064	23%	0.228	C	C	.	.			trans	-147.8	109.7	177.9	-161.4	12.8	0	0	0	114	V348 P349 A353 Q379 N381 K382	V348-N351 HydrophobicContact CB-CB 4.34Å; V348-N351 HydrophobicContact CG1-CB 4.05Å; V348-N351 PolarHBondContact O-N 3.09Å; P349-N351 VanDerWaalsContact C-N 3.28Å; P349-N351 PolarHBondContact O-N 2.96Å; N351-A353 WeakPolarHBondContact OD1-CB 3.46Å; N351-A353 PolarHBondContact OD1-N 3.45Å; N351-Q379 VanDerWaalsContact ND2-CD 3.25Å; N351-Q379 PolarHBondContact ND2-OE1 3.25Å; N351-Q379 PolarHBondContact O-NE2 3.05Å; N351-N381 PolarHBondContact ND2-OD1 3.05Å; N351-N381 PolarHBondContact OD1-ND2 3.14Å; N351-N381 PolarHBondContact OD1-OD1 3.33Å; N351-K382 WeakPolarHBondContact ND2-CB 3.49Å
352	D	94	Very high	95	Very high	123 Å²	123	42.7 Å²	42.7	66%	0.658	23%	0.232	S	C	*	.			trans	-98	7.2	-179.8	-54.5	-34.6	0	0	0	112.8	N328 G329	N328-D352 CarbonylContact C-O 3.53Å; N328-D352 VanDerWaalsContact C-O 3.29Å; G329-D352 PolarHBondContact N-O 3.01Å
353	A	95.5	Very high	94.5	Very high	19 Å²	19	44 Å²	44	16%	0.157	24%	0.241	C	C	.	.	S	Bend	trans	-62.9	148.7	179	0	0	0	0	0	111.4	G329 N351 V355 Q379 L380	G329-A353 VanDerWaalsContact CA-O 3.25Å; G329-A353 WeakPolarHBondContact CA-O 3.48Å; N351-A353 WeakPolarHBondContact OD1-CB 3.46Å; N351-A353 PolarHBondContact OD1-N 3.45Å; A353-V355 PolarHBondContact O-N 3.21Å; A353-Q379 HydrophobicContact CB-CB 4.19Å; A353-Q379 PolarHBondContact O-NE2 2.74Å; A353-L380 HydrophobicContact CB-CB 4.29Å
354	P	96.2	Very high	93.7	Very high	37 Å²	37	43.2 Å²	43.2	24%	0.24	24%	0.24	C	C	.	.			trans	-53.1	138.8	177.3	-25.9	32.2	0	0	0	112.7	W311 A327 L356 Q379	W311-P354 HydrophobicContact CD2-CB 4.2Å; W311-P354 HydrophobicContact CG-CB 4.22Å; A327-P354 WeakPolarHBondContact O-CG 3.25Å; P354-L356 HydrophobicContact CB-CD2 4.19Å; P354-L356 PolarHBondContact O-N 3.41Å; P354-L356 VanDerWaalsContact O-N 3.14Å; P354-Q379 WeakPolarHBondContact O-CA 3.44Å
355	V	97.4	Very high	92.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	92.5	175.2	-174.4	0	0	0	0	109	W311 S312 C326 I331 A353 L358 V377 G378 Q379	W311-V355 WeakPolarHBondContact CB-O 3.46Å; S312-V355 PolarHBondContact OG-O 2.76Å; C326-V355 PolarHBondContact O-N 2.84Å; C326-V355 VanDerWaalsContact O-N 3.12Å; I331-V355 HydrophobicContact CG1-CG2 3.99Å; A353-V355 PolarHBondContact O-N 3.21Å; V355-L358 HydrophobicContact CG1-CD1 4.4Å; V355-L358 HydrophobicContact CG1-CD2 3.59Å; V355-L358 HydrophobicContact CG1-CG 3.8Å; V355-V377 HydrophobicContact CG1-CG1 3.76Å; V355-V377 HydrophobicContact CG2-CG1 4.5Å; V355-G378 CarbonylContact C-O 3.56Å; V355-Q379 HydrophobicContact CG2-CG 4.27Å
356	L	96.4	Very high	90.8	Very high	25 Å²	25	49.5 Å²	49.5	13%	0.131	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-28.1	-172.5	-60.5	178.7	0	0	0	113.6	W311 P354 G378 L380 L455	W311-L356 HydrophobicContact CD2-CD2 4.29Å; W311-L356 HydrophobicContact CE3-CD2 3.53Å; W311-L356 HydrophobicContact CZ3-CD2 3.74Å; P354-L356 HydrophobicContact CB-CD2 4.19Å; P354-L356 PolarHBondContact O-N 3.41Å; P354-L356 VanDerWaalsContact O-N 3.14Å; L356-G378 PolarHBondContact N-O 2.78Å; L356-L380 HydrophobicContact CD1-CB 4.28Å; L356-L380 HydrophobicContact CD1-CD1 4.15Å; L356-L455 VanDerWaalsContact CD1-O 3.23Å; L356-L455 WeakPolarHBondContact CD1-O 3.47Å
357	G	96.6	Very high	88.5	Confident	5 Å²	5	57.6 Å²	57.6	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	139.3	-179.1	0	0	0	0	0	111.9	G378	G357-G378 PolarHBondContact N-O 2.86Å; G357-G378 PolarHBondContact O-N 2.93Å
358	L	97.4	Very high	86.5	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.5	175.2	-72.4	178	0	0	0	108.6	S312 C314 F323 V355 L375 L376 V377	S312-L358 WeakPolarHBondContact OG-CG 3.48Å; C314-L358 HydrophobicContact CB-CB 4.09Å; F323-L358 HydrophobicContact CB-CD1 3.92Å; V355-L358 HydrophobicContact CG1-CD1 4.4Å; V355-L358 HydrophobicContact CG1-CD2 3.59Å; V355-L358 HydrophobicContact CG1-CG 3.8Å; L358-L375 HydrophobicContact CB-CD1 4.24Å; L358-L375 HydrophobicContact CD2-CD1 4.11Å; L358-L375 HydrophobicContact CD2-CD2 3.73Å; L358-L375 HydrophobicContact CD2-CG 3.92Å; L358-L376 WeakPolarHBondContact CA-O 3.31Å; L358-V377 HydrophobicContact CD2-CB 4.25Å; L358-V377 HydrophobicContact CD2-CG1 4.12Å; L358-V377 HydrophobicContact CD2-CG2 3.86Å
359	Q	96.5	Very high	84.8	Confident	40 Å²	40	63.4 Å²	63.4	19%	0.187	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	123.1	172.7	-63	-66.1	7.1	0	0	109.8	L376 L458 A460	Q359-L376 HydrophobicContact CB-CB 4.31Å; Q359-L376 PolarHBondContact N-O 2.84Å; Q359-L376 WeakPolarHBondContact O-CB 3.3Å; Q359-L376 PolarHBondContact O-N 3.04Å; Q359-L458 HydrophobicContact CG-CG 4.39Å; Q359-L458 PolarHBondContact NE2-O 2.85Å; Q359-L458 VanDerWaalsContact NE2-O 3.07Å; Q359-A460 HydrophobicContact CB-CB 4.05Å; Q359-A460 HydrophobicContact CG-CB 4.18Å
360	Y	95.4	Very high	83.5	Confident	20 Å²	20	65 Å²	65	8%	0.078	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.3	173.5	-168.7	-90.7	0	0	0	109.9	W315 A316 G317 F323 E388	W315-Y360 VanDerWaalsContact O-CB 3.24Å; W315-Y360 WeakPolarHBondContact O-CB 3.45Å; A316-Y360 HydrophobicContact CB-CD2 4.11Å; A316-Y360 HydrophobicContact CB-CE1 4.49Å; A316-Y360 HydrophobicContact CB-CE2 4.01Å; A316-Y360 HydrophobicContact CB-CG 4.39Å; G317-Y360 VanDerWaalsContact N-CE1 3.34Å; F323-Y360 AromaticContact CE2-CD2 3.75Å; F323-Y360 HydrophobicContact CE2-CD2 3.75Å; F323-Y360 HydrophobicContact CE2-CE2 4.21Å; F323-Y360 HydrophobicContact CZ-CD2 4.3Å; F323-Y360 HydrophobicContact CZ-CE2 4.4Å; Y360-E388 WeakPolarHBondContact CE2-OE2 3.37Å; Y360-E388 PolarHBondContact OH-OE2 3.06Å
361	L	94.1	Very high	82.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.9	175.3	-57.1	-178.4	0	0	0	108.5	G373 G374 F385 A460 L487	L361-G373 CarbonylContact O-C 3.48Å; L361-G373 WeakPolarHBondContact O-CA 3.36Å; L361-G374 PolarHBondContact N-O 2.86Å; L361-G374 PolarHBondContact O-N 3.1Å; L361-F385 HydrophobicContact CB-CE2 4.42Å; L361-F385 HydrophobicContact CD1-CD2 4.23Å; L361-F385 HydrophobicContact CD1-CE2 4Å; L361-A460 HydrophobicContact CD2-CB 3.66Å; L361-L487 HydrophobicContact CD1-CD2 3.83Å
362	S	89.7	Confident	82.4	Confident	37 Å²	37	58 Å²	58	26%	0.259	33%	0.332	S	S	.	.			trans	-69	151	177	-65.2	0	0	0	0	110.9	A364 P462	S362-A364 PolarHBondContact O-N 2.92Å; S362-P462 WeakPolarHBondContact CB-O 3.5Å; S362-P462 PolarHBondContact N-O 2.89Å
363	P	86	Confident	82.3	Confident	79 Å²	79	52.3 Å²	52.3	51%	0.513	30%	0.302	S	S	.	.			trans	-53.8	140.2	169.5	-20.4	29.8	0	0	0	110.7	S371	P363-S371 WeakPolarHBondContact CA-O 3.29Å
364	A	77	Confident	82.2	Confident	19 Å²	19	51.4 Å²	51.4	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.5	177.3	0	0	0	0	0	108.6	S362 S371 R465	S362-A364 PolarHBondContact O-N 2.92Å; A364-S371 PolarHBondContact N-O 3.32Å; A364-S371 VanDerWaalsContact N-O 3.09Å; A364-S371 PolarHBondContact O-N 3.01Å; A364-R465 VanDerWaalsContact N-NH2 3.19Å
365	V	67.4	Low	82.2	Confident	119 Å²	119	49.7 Å²	49.7	72%	0.721	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	90.7	176.2	-175.4	0	0	0	0	107.5
366	D	61.4	Low	82.2	Confident	127 Å²	127	49.7 Å²	49.7	68%	0.679	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	104	174.3	-80.7	-22.7	0	0	0	109.2	N368 I369	D366-N368 PolarHBondContact O-N 2.78Å; D366-I369 PolarHBondContact N-O 3.32Å; D366-I369 PolarHBondContact O-N 3.35Å
367	Q	47.7	Very low	82.3	Confident	194 Å²	194	48.5 Å²	48.5	91%	0.907	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.5	-32.3	170.3	-64.1	-174.8	13.1	0	0	120.1
368	N	52.2	Low	82.3	Confident	163 Å²	163	48.2 Å²	48.2	87%	0.872	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.1	-3.9	173.1	-74.9	-47.1	0	0	0	115	D366	D366-N368 PolarHBondContact O-N 2.78Å
369	I	60.8	Low	82.2	Confident	78 Å²	78	48 Å²	48	40%	0.4	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	107.7	-178.4	-57	174	0	0	0	108.8	D366 S371	D366-I369 PolarHBondContact N-O 3.32Å; D366-I369 PolarHBondContact O-N 3.35Å; I369-S371 PolarHBondContact O-N 2.92Å
370	S	65.3	Low	82	Confident	89 Å²	89	49.7 Å²	49.7	62%	0.622	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.6	169	-173.6	0	0	0	0	108.3
371	S	79.7	Confident	81.8	Confident	11 Å²	11	53.4 Å²	53.4	8%	0.077	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128	172.2	-67.2	0	0	0	0	109	P363 A364 I369 R465 S489	P363-S371 WeakPolarHBondContact CA-O 3.29Å; A364-S371 PolarHBondContact N-O 3.32Å; A364-S371 VanDerWaalsContact N-O 3.09Å; A364-S371 PolarHBondContact O-N 3.01Å; I369-S371 PolarHBondContact O-N 2.92Å; S371-R465 PolarHBondContact O-NH2 3.39Å; S371-S489 PolarHBondContact OG-OG 2.78Å
372	A	84.8	Confident	81.7	Confident	27 Å²	27	55.4 Å²	55.4	22%	0.223	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-57	149.4	178.3	0	0	0	0	0	111.1	R465 Y499	A372-R465 PolarHBondContact O-NH1 2.76Å; A372-R465 PolarHBondContact O-NH2 3.24Å; A372-Y499 VanDerWaalsContact CB-OH 3.31Å; A372-Y499 WeakPolarHBondContact CB-OH 3.45Å; A372-Y499 PolarHBondContact N-OH 3.21Å
373	G	90.7	Very high	82.1	Confident	4 Å²	4	53.7 Å²	53.7	4%	0.041	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-71.9	173	162.4	0	0	0	0	0	110.2	L361 E388	L361-G373 CarbonylContact O-C 3.48Å; L361-G373 WeakPolarHBondContact O-CA 3.36Å; G373-E388 WeakPolarHBondContact O-CB 3.35Å; G373-E388 PolarHBondContact O-N 2.81Å
374	G	94.1	Very high	82.6	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-178.3	177.9	0	0	0	0	0	113.9	L361 M386	L361-G374 PolarHBondContact N-O 2.86Å; L361-G374 PolarHBondContact O-N 3.1Å; G374-M386 CarbonylContact C-O 3.55Å; G374-M386 WeakPolarHBondContact CA-O 3.31Å
375	L	95.8	Very high	83.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.1	-174.9	-171.7	68.2	0	0	0	110.2	C314 F323 I331 F346 L358 V377 M386	C314-L375 WeakPolarHBondContact SG-CD1 3.45Å; F323-L375 HydrophobicContact CB-CD2 4.39Å; F323-L375 HydrophobicContact CD1-CD2 3.85Å; F323-L375 HydrophobicContact CD2-CD1 4.02Å; F323-L375 HydrophobicContact CE1-CD2 4.28Å; F323-L375 HydrophobicContact CE2-CD1 4.41Å; F323-L375 HydrophobicContact CG-CD1 4.15Å; F323-L375 HydrophobicContact CG-CD2 4.04Å; I331-L375 HydrophobicContact CG2-CD2 3.75Å; F346-L375 HydrophobicContact CE2-CD2 4.19Å; F346-L375 HydrophobicContact CZ-CD2 4.31Å; L358-L375 HydrophobicContact CB-CD1 4.24Å; L358-L375 HydrophobicContact CD2-CD1 4.11Å; L358-L375 HydrophobicContact CD2-CD2 3.73Å; L358-L375 HydrophobicContact CD2-CG 3.92Å; L375-V377 HydrophobicContact CB-CG2 4.43Å; L375-V377 HydrophobicContact CD2-CG2 3.86Å; L375-V377 HydrophobicContact CG-CG2 3.86Å; L375-M386 HydrophobicContact CB-CB 4.26Å; L375-M386 PolarHBondContact N-O 2.76Å; L375-M386 PolarHBondContact O-N 3.41Å
376	L	96.9	Very high	84.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.2	167.3	-162	71.6	0	0	0	108.7	L358 Q359 V383 F385 L449 L458 F467	L358-L376 WeakPolarHBondContact CA-O 3.31Å; Q359-L376 HydrophobicContact CB-CB 4.31Å; Q359-L376 PolarHBondContact N-O 2.84Å; Q359-L376 WeakPolarHBondContact O-CB 3.3Å; Q359-L376 PolarHBondContact O-N 3.04Å; L376-V383 HydrophobicContact CD1-CG1 4.03Å; L376-V383 HydrophobicContact CG-CG1 4.16Å; L376-F385 HydrophobicContact CD1-CB 4.09Å; L376-F385 HydrophobicContact CD1-CD2 4.31Å; L376-L449 HydrophobicContact CD1-CD1 3.68Å; L376-L458 HydrophobicContact CB-CD2 4.26Å; L376-L458 HydrophobicContact CD2-CD1 3.81Å; L376-L458 HydrophobicContact CD2-CD2 3.8Å; L376-L458 HydrophobicContact CD2-CG 3.95Å; L376-L458 HydrophobicContact CG-CD2 3.82Å; L376-F467 HydrophobicContact CD2-CB 3.78Å; L376-F467 HydrophobicContact CD2-CD1 4.03Å; L376-F467 HydrophobicContact CD2-CD2 3.77Å; L376-F467 HydrophobicContact CD2-CE2 4.35Å; L376-F467 HydrophobicContact CD2-CG 3.58Å
377	V	98	Very high	86.4	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.9	-174.7	-175.9	0	0	0	0	109.3	I331 V348 V355 L358 L375 Q379 V383 T384 M386	I331-V377 HydrophobicContact CD1-CB 4.48Å; I331-V377 HydrophobicContact CD1-CG1 3.82Å; I331-V377 HydrophobicContact CD1-CG2 3.86Å; I331-V377 HydrophobicContact CG1-CG1 4.39Å; V348-V377 HydrophobicContact CG2-CB 4.39Å; V348-V377 HydrophobicContact CG2-CG1 3.9Å; V355-V377 HydrophobicContact CG1-CG1 3.76Å; V355-V377 HydrophobicContact CG2-CG1 4.5Å; L358-V377 HydrophobicContact CD2-CB 4.25Å; L358-V377 HydrophobicContact CD2-CG1 4.12Å; L358-V377 HydrophobicContact CD2-CG2 3.86Å; L375-V377 HydrophobicContact CB-CG2 4.43Å; L375-V377 HydrophobicContact CD2-CG2 3.86Å; L375-V377 HydrophobicContact CG-CG2 3.86Å; V377-Q379 HydrophobicContact CG1-CG 4.44Å; V377-V383 WeakPolarHBondContact O-CA 3.3Å; V377-T384 PolarHBondContact N-O 3.22Å; V377-T384 PolarHBondContact O-N 3.08Å; V377-M386 HydrophobicContact CG2-CE 4.09Å; V377-M386 HydrophobicContact CG2-CG 3.99Å; V377-M386 HydrophobicContact CG2-SD 3.92Å
378	G	97.4	Very high	88.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	112.3	174.4	0	0	0	0	0	111.6	V355 L356 G357	V355-G378 CarbonylContact C-O 3.56Å; L356-G378 PolarHBondContact N-O 2.78Å; G357-G378 PolarHBondContact N-O 2.86Å; G357-G378 PolarHBondContact O-N 2.93Å
379	Q	96.1	Very high	90	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	163.4	167.2	-69	174.7	-64.9	0	0	109.8	V348 N351 A353 P354 V355 V377 N381 K382 L455	V348-Q379 VanDerWaalsContact CG2-OE1 3.26Å; N351-Q379 VanDerWaalsContact ND2-CD 3.25Å; N351-Q379 PolarHBondContact ND2-OE1 3.25Å; N351-Q379 PolarHBondContact O-NE2 3.05Å; A353-Q379 HydrophobicContact CB-CB 4.19Å; A353-Q379 PolarHBondContact O-NE2 2.74Å; P354-Q379 WeakPolarHBondContact O-CA 3.44Å; V355-Q379 HydrophobicContact CG2-CG 4.27Å; V377-Q379 HydrophobicContact CG1-CG 4.44Å; Q379-N381 PolarHBondContact O-N 2.89Å; Q379-K382 PolarHBondContact N-O 2.96Å; Q379-K382 PolarHBondContact O-N 2.87Å; Q379-K382 VanDerWaalsContact O-N 3.16Å; Q379-L455 WeakPolarHBondContact O-CB 3.49Å; Q379-L455 WeakPolarHBondContact O-CD2 3.3Å
380	L	92	Very high	90.2	Very high	75 Å²	75	25.9 Å²	25.9	39%	0.393	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-39.2	-174.2	-175.9	67.6	0	0	0	114.2	A353 L356 S454 L455	A353-L380 HydrophobicContact CB-CB 4.29Å; L356-L380 HydrophobicContact CD1-CB 4.28Å; L356-L380 HydrophobicContact CD1-CD1 4.15Å; L380-S454 VanDerWaalsContact CD1-OG 3.32Å; L380-S454 WeakPolarHBondContact CD1-OG 3.49Å; L380-S454 CarbonylContact O-C 3.51Å; L380-S454 VanDerWaalsContact O-CA 3.27Å; L380-S454 WeakPolarHBondContact O-CA 3.26Å; L380-L455 PolarHBondContact O-N 2.89Å
381	N	90.1	Very high	90	Very high	97 Å²	97	27.8 Å²	27.8	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	2.1	-173.6	59.9	-13.2	0	0	0	113.5	N351 Q379	N351-N381 PolarHBondContact ND2-OD1 3.05Å; N351-N381 PolarHBondContact OD1-ND2 3.14Å; N351-N381 PolarHBondContact OD1-OD1 3.33Å; Q379-N381 PolarHBondContact O-N 2.89Å
382	K	93.6	Very high	88.2	Confident	44 Å²	44	31.9 Å²	31.9	19%	0.191	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	139.3	-166.6	-163	172.1	178.2	-173.1	0	112.3	V348 P349 N351 Q379 N448	V348-K382 HydrophobicContact CG1-CD 3.99Å; P349-K382 PolarHBondContact O-NZ 3.08Å; N351-K382 WeakPolarHBondContact ND2-CB 3.49Å; Q379-K382 PolarHBondContact N-O 2.96Å; Q379-K382 PolarHBondContact O-N 2.87Å; Q379-K382 VanDerWaalsContact O-N 3.16Å; K382-N448 WeakPolarHBondContact CE-OD1 2.96Å; K382-N448 VanDerWaalsContact NZ-CG 3.28Å; K382-N448 PolarHBondContact NZ-ND2 2.81Å; K382-N448 PolarHBondContact NZ-OD1 3.2Å
383	V	96.9	Very high	85.8	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.3	166.9	-172.4	0	0	0	0	108.2	L376 V377 L449 L451 L455 L458	L376-V383 HydrophobicContact CD1-CG1 4.03Å; L376-V383 HydrophobicContact CG-CG1 4.16Å; V377-V383 WeakPolarHBondContact O-CA 3.3Å; V383-L449 HydrophobicContact CG1-CD1 4Å; V383-L449 PolarHBondContact O-N 2.89Å; V383-L451 HydrophobicContact CB-CD1 4.09Å; V383-L451 HydrophobicContact CG1-CD1 4.47Å; V383-L451 HydrophobicContact CG2-CD1 4.09Å; V383-L455 HydrophobicContact CG2-CD1 4.01Å; V383-L455 HydrophobicContact CG2-CD2 3.99Å; V383-L458 HydrophobicContact CG1-CD1 4.35Å
384	T	97.1	Very high	83.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.9	-178	-54	0	0	0	0	108.8	V348 V377 M386 P446 H447	V348-T384 HydrophobicContact CG1-CG2 4.45Å; V348-T384 WeakPolarHBondContact CG1-OG1 3.33Å; V348-T384 HydrophobicContact CG2-CG2 4.5Å; V377-T384 PolarHBondContact N-O 3.22Å; V377-T384 PolarHBondContact O-N 3.08Å; T384-M386 HydrophobicContact CG2-CG 4.37Å; T384-P446 HydrophobicContact CG2-CB 3.89Å; T384-H447 CarbonylContact C-O 3.48Å; T384-H447 WeakPolarHBondContact CA-O 3.48Å; T384-H447 WeakPolarHBondContact CG2-O 3.34Å
385	F	96.5	Very high	80.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.8	167.1	178	-113.7	0	0	0	109	L361 L376 H447 L449 L487 Y499	L361-F385 HydrophobicContact CB-CE2 4.42Å; L361-F385 HydrophobicContact CD1-CD2 4.23Å; L361-F385 HydrophobicContact CD1-CE2 4Å; L376-F385 HydrophobicContact CD1-CB 4.09Å; L376-F385 HydrophobicContact CD1-CD2 4.31Å; F385-H447 PolarHBondContact N-O 2.82Å; F385-H447 WeakPolarHBondContact O-CB 2.91Å; F385-H447 PolarHBondContact O-CD2 2.99Å; F385-H447 PolarHBondContact O-N 3.14Å; F385-L449 HydrophobicContact CB-CD2 4.34Å; F385-L487 HydrophobicContact CB-CD1 3.84Å; F385-L487 HydrophobicContact CD1-CD1 4.13Å; F385-L487 HydrophobicContact CD1-CD2 3.84Å; F385-L487 HydrophobicContact CD2-CD1 4.41Å; F385-L487 HydrophobicContact CD2-CD2 3.74Å; F385-L487 HydrophobicContact CE1-CD2 3.8Å; F385-L487 HydrophobicContact CE2-CD2 3.72Å; F385-L487 HydrophobicContact CG-CD1 3.87Å; F385-L487 HydrophobicContact CG-CD2 3.8Å; F385-L487 HydrophobicContact CZ-CD2 3.75Å; F385-Y499 AromaticContact CD1-CD1 3.92Å; F385-Y499 HydrophobicContact CD1-CD1 3.92Å; F385-Y499 AromaticContact CD1-CD2 3.83Å; F385-Y499 HydrophobicContact CD1-CD2 3.83Å; F385-Y499 HydrophobicContact CD1-CE2 4.46Å; F385-Y499 AromaticContact CD1-CG 3.53Å; F385-Y499 HydrophobicContact CD1-CG 3.53Å; F385-Y499 AromaticContact CE1-CD1 3.71Å; F385-Y499 HydrophobicContact CE1-CD1 3.71Å; F385-Y499 AromaticContact CE1-CD2 3.75Å; F385-Y499 HydrophobicContact CE1-CD2 3.75Å; F385-Y499 AromaticContact CE1-CE1 3.87Å; F385-Y499 HydrophobicContact CE1-CE1 3.87Å; F385-Y499 AromaticContact CE1-CE2 3.93Å; F385-Y499 HydrophobicContact CE1-CE2 3.93Å; F385-Y499 AromaticContact CE1-CG 3.64Å; F385-Y499 HydrophobicContact CE1-CG 3.64Å; F385-Y499 AromaticContact CE1-CZ 3.99Å
386	M	95.2	Very high	77.1	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	97.3	175.6	-65.2	-166	174.6	0	0	109	I331 F346 V348 G374 L375 V377 T384 E388 Y444 K445	I331-M386 HydrophobicContact CD1-CE 3.35Å; I331-M386 HydrophobicContact CD1-SD 3.84Å; F346-M386 HydrophobicContact CD2-CE 4.09Å; F346-M386 HydrophobicContact CD2-SD 3.46Å; F346-M386 WeakPolarHBondContact CD2-SD 3.29Å; F346-M386 HydrophobicContact CE2-CE 4.43Å; F346-M386 HydrophobicContact CE2-SD 3.39Å; F346-M386 WeakPolarHBondContact CE2-SD 3.42Å; V348-M386 HydrophobicContact CB-CE 4.29Å; V348-M386 HydrophobicContact CG2-CE 3.39Å; G374-M386 CarbonylContact C-O 3.55Å; G374-M386 WeakPolarHBondContact CA-O 3.31Å; L375-M386 HydrophobicContact CB-CB 4.26Å; L375-M386 PolarHBondContact N-O 2.76Å; L375-M386 PolarHBondContact O-N 3.41Å; V377-M386 HydrophobicContact CG2-CE 4.09Å; V377-M386 HydrophobicContact CG2-CG 3.99Å; V377-M386 HydrophobicContact CG2-SD 3.92Å; T384-M386 HydrophobicContact CG2-CG 4.37Å; M386-E388 PolarHBondContact O-N 3.35Å; M386-Y444 HydrophobicContact CB-CD1 4.16Å; M386-K445 CarbonylContact C-O 3.55Å; M386-K445 VanDerWaalsContact CA-O 3.31Å; M386-K445 WeakPolarHBondContact CA-O 3.08Å
387	S	93.7	Very high	73.8	Confident	11 Å²	11	61.8 Å²	61.8	8%	0.077	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.4	-179.5	64.5	0	0	0	0	109.9	S389 K445 H447	S387-S389 PolarHBondContact O-N 2.98Å; S387-K445 PolarHBondContact N-O 2.91Å; S387-K445 PolarHBondContact O-N 3.33Å; S387-K445 PolarHBondContact OG-O 3.3Å; S387-H447 PolarHBondContact OG-CD2 3.45Å; S387-H447 PolarHBondContact OG-NE2 2.82Å
388	E	91.7	Very high	70.4	Confident	30 Å²	30	70.6 Å²	70.6	14%	0.14	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.5	174	-174	170.6	164.7	0	0	109	R321 Y360 G373 M386 P442 Y444	R321-E388 IonicContact CZ-OE1 2.77Å; R321-E388 VanDerWaalsContact CZ-OE1 3.28Å; R321-E388 IonicContact CZ-OE2 2.71Å; R321-E388 IonicContact NH1-OE1 3.41Å; R321-E388 PolarHBondContact NH1-OE1 2.88Å; R321-E388 IonicContact NH1-OE2 3.73Å; R321-E388 PolarHBondContact NH1-OE2 2.9Å; R321-E388 IonicContact NH2-OE1 2.87Å; R321-E388 PolarHBondContact NH2-OE1 3.12Å; R321-E388 IonicContact NH2-OE2 2.68Å; Y360-E388 WeakPolarHBondContact CE2-OE2 3.37Å; Y360-E388 PolarHBondContact OH-OE2 3.06Å; G373-E388 WeakPolarHBondContact O-CB 3.35Å; G373-E388 PolarHBondContact O-N 2.81Å; M386-E388 PolarHBondContact O-N 3.35Å; E388-P442 HydrophobicContact CG-CB 3.91Å; E388-Y444 HydrophobicContact CB-CD1 4.42Å; E388-Y444 HydrophobicContact CB-CE1 3.92Å; E388-Y444 HydrophobicContact CG-CE1 4.16Å; E388-Y444 PolarHBondContact OE2-OH 3.34Å
389	S	84.1	Confident	67.1	Low	38 Å²	38	76.5 Å²	76.5	27%	0.266	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.4	168.1	60.9	0	0	0	0	108.9	S387 E391 S443	S387-S389 PolarHBondContact O-N 2.98Å; S389-E391 PolarHBondContact O-N 3.24Å; S389-E391 PolarHBondContact OG-O 2.98Å; S389-S443 PolarHBondContact N-O 2.9Å; S389-S443 PolarHBondContact OG-O 2.99Å; S389-S443 PolarHBondContact OG-OG 3.17Å
390	P	64.6	Low	63.8	Low	112 Å²	112	82.5 Å²	82.5	73%	0.727	46%	0.456	S	S	*	.	S	Bend	trans	-64.4	122.7	158.7	28.1	-28	0	0	0	105.8
391	E	62.2	Low	60.7	Low	129 Å²	129	86.4 Å²	86.4	60%	0.603	48%	0.477	S	S	*	.	S	Bend	trans	89.5	138.3	177	-50	176	-176.4	0	0	117.2	S389 S443	S389-E391 PolarHBondContact O-N 3.24Å; S389-E391 PolarHBondContact OG-O 2.98Å; E391-S443 PolarHBondContact O-OG 3.39Å
392	N	41.1	Very low	57.8	Low	97 Å²	97	90.7 Å²	90.7	52%	0.519	49%	0.494	S	S	.	.			trans	-90.8	125.1	170.2	-148.4	-8.2	0	0	0	106.4	I394	N392-I394 PolarHBondContact O-N 2.65Å
393	P	33.6	Very low	54.7	Low	112 Å²	112	97.3 Å²	97.3	73%	0.727	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	5.8	-173.2	-21.8	31.5	0	0	0	116.5
394	I	35.6	Very low	51.4	Low	146 Å²	146	107.6 Å²	107.6	75%	0.749	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-4.7	-169.6	-58	178	0	0	0	112.7	N392	N392-I394 PolarHBondContact O-N 2.65Å
395	A	31.2	Very low	48.4	Very low	84 Å²	84	114.6 Å²	114.6	69%	0.694	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	2.6	-179.4	0	0	0	0	0	116.1
396	I	30.6	Very low	45.4	Very low	138 Å²	138	121.9 Å²	121.9	71%	0.708	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	8.3	-175.5	-55.7	178.2	0	0	0	113.7
397	Q	27.7	Very low	42.4	Very low	179 Å²	179	126.6 Å²	126.6	84%	0.836	67%	0.667	S	S	*	*	S	Bend	trans	-118.2	14.7	177.9	-78	-170.1	-3.3	0	0	116.5
398	Q	27.8	Very low	39.3	Very low	186 Å²	186	130.2 Å²	130.2	87%	0.869	70%	0.698	S	S	*	*	S	Bend	trans	-138.8	49.3	174.2	-70.7	-171.2	-13.8	0	0	113.5
399	T	27.7	Very low	36.4	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	73%	0.734	S	S	*	*	S	Bend	trans	-143.9	51.9	160.7	58.2	0	0	0	0	111
400	T	27.2	Very low	33.9	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	76%	0.755	S	S	*	*	S	Bend	trans	-144.1	61.8	162.1	40.4	0	0	0	0	108.7
401	N	27.3	Very low	32.4	Very low	158 Å²	158	141 Å²	141	85%	0.845	76%	0.762	S	S	*	*	S	Bend	trans	-163.7	115	153.6	-92.6	-31.2	0	0	0	109.7
402	Q	27.6	Very low	30.9	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	77%	0.767	S	S	*	*			trans	76.5	78.7	160.8	-63.3	175.6	-16.8	0	0	118.5
403	E	28.3	Very low	30.6	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	78%	0.778	S	S	*	*			trans	-108.7	100.4	134.4	-78	-171.5	160.1	0	0	108.4
404	R	29.2	Very low	30.5	Very low	218 Å²	218	140 Å²	140	82%	0.823	78%	0.779	S	S	*	*			trans	-120.8	91.3	157.6	-162.7	178.6	-170.7	168.5	2.6	106
405	I	33	Very low	30.4	Very low	147 Å²	147	139.8 Å²	139.8	75%	0.754	78%	0.78	S	S	*	*			trans	-88.7	109	170.7	-64.3	173	0	0	0	106.6
406	E	33.1	Very low	30.3	Very low	153 Å²	153	142.6 Å²	142.6	72%	0.715	78%	0.783	S	S	*	*			trans	-117.6	105.8	155.3	-85.4	178.3	-178.6	0	0	107.9
407	S	33	Very low	30.5	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	79%	0.789	S	S	*	*			trans	16.8	119.5	143.1	51.9	0	0	0	0	121.3
408	A	28.7	Very low	30.6	Very low	88 Å²	88	141.9 Å²	141.9	73%	0.727	79%	0.79	S	S	*	*				68.3	136.6	115.9	0	0	0	0	0	122.7
409	D	30.7	Very low	30.9	Very low	168 Å²	168	140.8 Å²	140.8	90%	0.898	79%	0.79	S	S	*	*			trans	91.7	122.7	154.2	-60.1	-24.1	0	0	0	120.4
410	G	31.7	Very low	31.2	Very low	68 Å²	68	140.3 Å²	140.3	70%	0.701	79%	0.789	S	S	*	*			trans	147.9	70.8	151.8	0	0	0	0	0	120.4
411	I	34	Very low	31.6	Very low	169 Å²	169	139.3 Å²	139.3	87%	0.867	79%	0.793	S	S	*	*				61.7	107.4	126.5	-57.1	168.7	0	0	0	120.9
412	A	29.4	Very low	31.9	Very low	85 Å²	85	137.3 Å²	137.3	70%	0.702	79%	0.792	S	S	*	*				71.8	148.7	120.8	0	0	0	0	0	126.3
413	S	35.1	Very low	32.2	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	79%	0.786	S	S	*	*			trans	84.5	142	153.9	69.7	0	0	0	0	118.3
414	T	31	Very low	32.2	Very low	122 Å²	122	132.5 Å²	132.5	75%	0.748	78%	0.784	S	S	*	*			cis	-178.2	168.8	-31.4	19.8	0	0	0	0	105.3
415	D	33.1	Very low	32.4	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	78%	0.779	S	S	*	*			trans	84.9	142.9	164.3	-65	2.4	0	0	0	117.6
416	D	30.1	Very low	32.2	Very low	142 Å²	142	130.4 Å²	130.4	76%	0.759	79%	0.789	S	S	*	*			cis	-169.8	166.7	-26.3	-129.9	-18.7	0	0	0	107.3
417	S	35.2	Very low	32.1	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	79%	0.789	S	S	*	*			trans	99.6	126.3	152.6	80.2	0	0	0	0	121.4
418	E	29	Very low	31.8	Very low	186 Å²	186	133.2 Å²	133.2	87%	0.869	80%	0.796	S	S	*	*			trans	-78.3	150.1	176.9	-58.2	172.1	132.6	0	0	113
419	N	33.8	Very low	31.7	Very low	163 Å²	163	135.6 Å²	135.6	87%	0.872	80%	0.796	S	S	*	*				-167.1	144.1	129.6	-112.8	-24.7	0	0	0	112.8
420	P	35.7	Very low	31.6	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	79%	0.786	S	S	*	*			trans	-101.9	138.4	-178.9	36.6	-27.9	0	0	0	112.8
421	A	35	Very low	31.5	Very low	103 Å²	103	134 Å²	134	85%	0.851	78%	0.783	S	S	*	*			trans	-175.2	123.9	152.3	0	0	0	0	0	110.8
422	S	33.5	Very low	31.3	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	78%	0.783	S	S	*	*			trans	-73.5	156.6	163.8	-48.7	0	0	0	0	110.3
423	P	34.1	Very low	31.3	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	79%	0.79	S	S	*	*				-150.6	157.5	83.8	35.1	-14.7	0	0	0	116.8
424	D	27	Very low	31	Very low	155 Å²	155	140.1 Å²	140.1	83%	0.829	79%	0.785	S	S	*	*			trans	31.6	99.2	149.4	-64.1	-23.9	0	0	0	120.5
425	I	34.2	Very low	31.2	Very low	137 Å²	137	138.8 Å²	138.8	70%	0.703	78%	0.781	S	S	*	*			trans	-139.3	116.8	137.5	-61.5	-174.3	0	0	0	108.6	Q427	I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 HydrophobicContact CG2-CG 4.02Å; I425-Q427 PolarHBondContact O-N 3.41Å
426	L	27.9	Very low	31.3	Very low	184 Å²	184	138.7 Å²	138.7	96%	0.963	78%	0.781	S	S	*	*			trans	-54.5	94.6	157.6	-81.1	149.1	0	0	0	108.5
427	Q	31.7	Very low	32	Very low	153 Å²	153	143.8 Å²	143.8	72%	0.715	79%	0.789	S	S	*	*			trans	-113.2	122.4	164.2	-98.8	172.7	7	0	0	108.1	I425 N429	I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 HydrophobicContact CG2-CG 4.02Å; I425-Q427 PolarHBondContact O-N 3.41Å; Q427-N429 VanDerWaalsContact C-N 3.28Å; Q427-N429 PolarHBondContact O-N 3.08Å
428	D	27.2	Very low	32.5	Very low	160 Å²	160	141.8 Å²	141.8	86%	0.856	77%	0.769	S	S	*	*			trans	-47.9	91.1	165.8	-84.7	-42.6	0	0	0	110.1	S430	D428-S430 PolarHBondContact O-N 3.37Å
429	N	26.4	Very low	33.6	Very low	137 Å²	137	136 Å²	136	73%	0.733	76%	0.759	S	S	*	*			trans	-81	72.9	160.5	-94.5	-16.7	0	0	0	107.7	Q427 T431	Q427-N429 VanDerWaalsContact C-N 3.28Å; Q427-N429 PolarHBondContact O-N 3.08Å; N429-T431 HydrophobicContact CB-CG2 4.15Å; N429-T431 PolarHBondContact O-N 3.08Å
430	S	28.4	Very low	35.1	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	76%	0.756	S	S	*	*			trans	-67.4	69	146.2	61.7	0	0	0	0	107.4	D428 L432	D428-S430 PolarHBondContact O-N 3.37Å; S430-L432 PolarHBondContact O-N 2.65Å
431	T	30.8	Very low	36.9	Very low	104 Å²	104	133.4 Å²	133.4	64%	0.638	74%	0.738	S	S	*	*			trans	-64	97.4	164.2	46.4	0	0	0	0	106	N429 R433	N429-T431 HydrophobicContact CB-CG2 4.15Å; N429-T431 PolarHBondContact O-N 3.08Å; T431-R433 PolarHBondContact O-N 3.48Å
432	L	29.7	Very low	39.2	Very low	167 Å²	167	129.6 Å²	129.6	87%	0.874	71%	0.705	S	S	*	*			trans	-46.6	96.5	157.6	-80	132.3	0	0	0	106.8	S430	S430-L432 PolarHBondContact O-N 2.65Å
433	R	28.5	Very low	41.9	Very low	223 Å²	223	125.5 Å²	125.5	84%	0.842	68%	0.676	S	S	*	*			trans	-57.9	138.3	164.3	-80.3	-174.7	175	-170.2	-0.9	106.6	T431 S435	T431-R433 PolarHBondContact O-N 3.48Å; R433-S435 PolarHBondContact O-N 3.05Å
434	P	29.6	Very low	44.7	Very low	104 Å²	104	121.3 Å²	121.3	68%	0.675	65%	0.646	S	S	*	*			trans	-59.1	120.2	175.3	24	-29.2	0	0	0	107.8	N436	P434-N436 PolarHBondContact O-N 3.32Å
435	S	35.5	Very low	47.8	Very low	93 Å²	93	117.8 Å²	117.8	65%	0.65	62%	0.623	S	S	*	*	S	Bend	trans	-66.9	22.7	-175.7	48	0	0	0	0	114.3	R433 W437	R433-S435 PolarHBondContact O-N 3.05Å; S435-W437 PolarHBondContact O-N 3.36Å
436	N	35	Very low	50.7	Low	142 Å²	142	113.6 Å²	113.6	76%	0.759	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	4.4	-173.6	-72.2	2.8	0	0	0	114.1	P434	P434-N436 PolarHBondContact O-N 3.32Å
437	W	44.6	Very low	53.9	Low	248 Å²	248	105.7 Å²	105.7	94%	0.939	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-12.6	176.6	-76.6	96	0	0	0	114.3	S435	S435-W437 PolarHBondContact O-N 3.36Å
438	L	46.1	Very low	56.9	Low	76 Å²	76	102.7 Å²	102.7	40%	0.398	55%	0.552	S	S	.	*	S	Bend	trans	-89.3	108.4	166.4	-74.2	108.6	0	0	0	106.9	V338 I343	V338-L438 HydrophobicContact CG2-CD2 4.06Å; I343-L438 HydrophobicContact CD1-CD2 4.34Å; I343-L438 HydrophobicContact CG1-CD2 4.02Å; I343-L438 HydrophobicContact CG2-CD2 4.11Å
439	G	51.7	Low	60.2	Low	64 Å²	64	95.4 Å²	95.4	66%	0.66	51%	0.513	S	S	*	.			trans	-49.9	152.4	165.2	0	0	0	0	0	110.5	I441	G439-I441 PolarHBondContact O-N 2.81Å
440	N	64.6	Low	63.3	Low	149 Å²	149	93 Å²	93	80%	0.797	51%	0.505	S	S	*	.			trans	-38.9	113.1	-174.5	-78.4	-11.9	0	0	0	112.6	P442	N440-P442 WeakPolarHBondContact O-CD 3.5Å
441	I	73.9	Confident	66.4	Low	73 Å²	73	89 Å²	89	37%	0.374	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-68.2	121.9	177.3	-56.5	167.4	0	0	0	107.3	I343 D344 G439	I343-I441 HydrophobicContact CG2-CB 4.21Å; I343-I441 HydrophobicContact CG2-CD1 3.35Å; I343-I441 HydrophobicContact CG2-CG1 3.52Å; I343-I441 HydrophobicContact CG2-CG2 3.63Å; D344-I441 HydrophobicContact CB-CG2 4.44Å; G439-I441 PolarHBondContact O-N 2.81Å
442	P	83.6	Confident	69.1	Low	24 Å²	24	89.7 Å²	89.7	16%	0.156	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-69	138.8	179.7	21.3	-24	0	0	0	110.5	E388 N440	E388-P442 HydrophobicContact CG-CB 3.91Å; N440-P442 WeakPolarHBondContact O-CD 3.5Å
443	S	89.3	Confident	71.9	Confident	30 Å²	30	83.4 Å²	83.4	21%	0.21	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.8	175.7	52.1	0	0	0	0	111.9	S389 E391	S389-S443 PolarHBondContact N-O 2.9Å; S389-S443 PolarHBondContact OG-O 2.99Å; S389-S443 PolarHBondContact OG-OG 3.17Å; E391-S443 PolarHBondContact O-OG 3.39Å
444	Y	93.2	Very high	75	Confident	26 Å²	26	74.9 Å²	74.9	10%	0.102	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.6	-176.9	-72	-82.1	0	0	0	110.8	R321 F323 L333 F346 M386 E388	R321-Y444 PolarHBondContact NH1-OH 3.01Å; F323-Y444 HydrophobicContact CE1-CE1 4.4Å; F323-Y444 HydrophobicContact CE1-CE2 4.13Å; F323-Y444 AromaticContact CE1-CZ 3.84Å; F323-Y444 HydrophobicContact CZ-CE1 4.3Å; F323-Y444 HydrophobicContact CZ-CE2 4.48Å; F323-Y444 AromaticContact CZ-CZ 3.78Å; F323-Y444 VanDerWaalsContact CZ-OH 3.31Å; F323-Y444 WeakPolarHBondContact CZ-OH 3.12Å; L333-Y444 HydrophobicContact CD2-CE2 4.03Å; F346-Y444 HydrophobicContact CD1-CD2 4.21Å; F346-Y444 AromaticContact CE1-CD2 3.62Å; F346-Y444 HydrophobicContact CE1-CD2 3.62Å; F346-Y444 HydrophobicContact CE1-CE2 4.08Å; F346-Y444 HydrophobicContact CE1-CG 4.26Å; F346-Y444 HydrophobicContact CE2-CG 4.42Å; F346-Y444 AromaticContact CZ-CD2 3.82Å; F346-Y444 HydrophobicContact CZ-CD2 3.82Å; F346-Y444 HydrophobicContact CZ-CE2 4.26Å; F346-Y444 HydrophobicContact CZ-CG 4.07Å; M386-Y444 HydrophobicContact CB-CD1 4.16Å; E388-Y444 HydrophobicContact CB-CD1 4.42Å; E388-Y444 HydrophobicContact CB-CE1 3.92Å; E388-Y444 HydrophobicContact CG-CE1 4.16Å; E388-Y444 PolarHBondContact OE2-OH 3.34Å
445	K	92.9	Very high	78.1	Confident	81 Å²	81	70 Å²	70	35%	0.352	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.2	177	-176.6	-178.9	175.3	-175.2	0	110.5	M386 S387 H447 E496	M386-K445 CarbonylContact C-O 3.55Å; M386-K445 VanDerWaalsContact CA-O 3.31Å; M386-K445 WeakPolarHBondContact CA-O 3.08Å; S387-K445 PolarHBondContact N-O 2.91Å; S387-K445 PolarHBondContact O-N 3.33Å; S387-K445 PolarHBondContact OG-O 3.3Å; K445-H447 PolarHBondContact O-CD2 3.12Å; K445-E496 IonicContact NZ-OE2 2.61Å; K445-E496 PolarHBondContact NZ-OE2 2.86Å
446	P	95.1	Very high	81	Confident	49 Å²	49	66 Å²	66	32%	0.318	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.8	-176.7	31.2	-33.9	0	0	0	112.9	P349 T384	P349-P446 HydrophobicContact CG-CB 4.11Å; P349-P446 HydrophobicContact CG-CG 3.62Å; T384-P446 HydrophobicContact CG2-CB 3.89Å
447	H	95.2	Very high	83.9	Confident	18 Å²	18	59.7 Å²	59.7	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.1	172.7	-56	-94.6	0	0	0	109.3	T384 F385 S387 K445 L449 T497 Y499	T384-H447 CarbonylContact C-O 3.48Å; T384-H447 WeakPolarHBondContact CA-O 3.48Å; T384-H447 WeakPolarHBondContact CG2-O 3.34Å; F385-H447 PolarHBondContact N-O 2.82Å; F385-H447 WeakPolarHBondContact O-CB 2.91Å; F385-H447 PolarHBondContact O-CD2 2.99Å; F385-H447 PolarHBondContact O-N 3.14Å; S387-H447 PolarHBondContact OG-CD2 3.45Å; S387-H447 PolarHBondContact OG-NE2 2.82Å; K445-H447 PolarHBondContact O-CD2 3.12Å; H447-L449 PolarHBondContact O-N 2.99Å; H447-T497 PolarHBondContact CE1-O 3.47Å; H447-T497 VanDerWaalsContact CE1-O 3.29Å; H447-Y499 AromaticContact CD2-CD2 3.74Å; H447-Y499 AromaticContact CE1-CD2 3.82Å; H447-Y499 PolarHBondContact ND1-N 2.82Å; H447-Y499 AromaticContact NE2-CD2 3.61Å
448	N	94.2	Very high	86.4	Confident	90 Å²	90	48.3 Å²	48.3	48%	0.481	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127	-177.8	-60.1	-32.1	0	0	0	109.7	K382	K382-N448 WeakPolarHBondContact CE-OD1 2.96Å; K382-N448 VanDerWaalsContact NZ-CG 3.28Å; K382-N448 PolarHBondContact NZ-ND2 2.81Å; K382-N448 PolarHBondContact NZ-OD1 3.2Å
449	L	95.5	Very high	88.9	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.6	175.6	-56.9	-173.2	0	0	0	109.5	L376 V383 F385 H447 L451 F467 L487 C501	L376-L449 HydrophobicContact CD1-CD1 3.68Å; V383-L449 HydrophobicContact CG1-CD1 4Å; V383-L449 PolarHBondContact O-N 2.89Å; F385-L449 HydrophobicContact CB-CD2 4.34Å; H447-L449 PolarHBondContact O-N 2.99Å; L449-L451 HydrophobicContact CB-CD1 4.35Å; L449-L451 HydrophobicContact CB-CG 4.16Å; L449-L451 PolarHBondContact O-N 2.9Å; L449-F467 HydrophobicContact CD1-CE1 4.16Å; L449-F467 HydrophobicContact CD1-CE2 4.47Å; L449-F467 HydrophobicContact CD1-CZ 3.69Å; L449-L487 HydrophobicContact CD1-CD1 4.23Å; L449-L487 HydrophobicContact CD2-CD1 3.87Å; L449-C501 HydrophobicContact CD1-CB 4.24Å; L449-C501 HydrophobicContact CD2-CB 4.23Å
450	P	92.9	Very high	90.9	Very high	87 Å²	87	42.2 Å²	42.2	57%	0.565	24%	0.24	S	C	*	.			trans	-76.4	59.2	-174.7	33.2	-38	0	0	0	112
451	L	92.2	Very high	92	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.073	21%	0.213	C	C	.	.			trans	-110.8	133.8	-178.2	-56.7	-176.5	0	0	0	110.8	V383 L449 F467 A469 Y471 L483 C501 E503	V383-L451 HydrophobicContact CB-CD1 4.09Å; V383-L451 HydrophobicContact CG1-CD1 4.47Å; V383-L451 HydrophobicContact CG2-CD1 4.09Å; L449-L451 HydrophobicContact CB-CD1 4.35Å; L449-L451 HydrophobicContact CB-CG 4.16Å; L449-L451 PolarHBondContact O-N 2.9Å; L451-F467 HydrophobicContact CD1-CE2 3.77Å; L451-F467 HydrophobicContact CD1-CZ 4.04Å; L451-A469 HydrophobicContact CD1-CB 4.42Å; L451-Y471 VanDerWaalsContact CB-OH 3.31Å; L451-Y471 WeakPolarHBondContact CB-OH 3.28Å; L451-Y471 WeakPolarHBondContact CD1-OH 3.36Å; L451-L483 HydrophobicContact CD1-CD2 4.33Å; L451-L483 HydrophobicContact CD2-CD2 3.44Å; L451-L483 VanDerWaalsContact CD2-CD2 3.44Å; L451-L483 HydrophobicContact CG-CD2 4.41Å; L451-C501 VanDerWaalsContact CD2-SG 3.51Å; L451-E503 HydrophobicContact CD2-CG 4.37Å
452	E	87.1	Confident	92.3	Very high	117 Å²	117	36.5 Å²	36.5	55%	0.547	21%	0.214	S	C	.	.			trans	-112.1	141.6	-179	-63.7	-174.5	169.5	0	0	112.2	R476 R481	E452-R476 IonicContact OE1-NH1 3.89Å; E452-R476 IonicContact OE2-CZ 3.15Å; E452-R476 IonicContact OE2-NH1 3.94Å; E452-R476 PolarHBondContact OE2-NH1 2.63Å; E452-R476 IonicContact OE2-NH2 3.28Å; E452-R481 PolarHBondContact O-NH2 3.48Å
453	G	89	Confident	92.1	Very high	35 Å²	35	43 Å²	43	36%	0.361	24%	0.242	S	C	.	.	S	Bend	trans	136.5	174	171.3	0	0	0	0	0	113.2	L455	G453-L455 PolarHBondContact O-N 3.32Å
454	S	93.5	Very high	91.7	Very high	45 Å²	45	42.7 Å²	42.7	32%	0.315	24%	0.243	S	C	.	.			trans	-86.1	97.5	170.8	-178.6	0	0	0	0	109.1	L380 Y471 R472	L380-S454 VanDerWaalsContact CD1-OG 3.32Å; L380-S454 WeakPolarHBondContact CD1-OG 3.49Å; L380-S454 CarbonylContact O-C 3.51Å; L380-S454 VanDerWaalsContact O-CA 3.27Å; L380-S454 WeakPolarHBondContact O-CA 3.26Å; S454-Y471 WeakPolarHBondContact O-CA 3.48Å; S454-R472 PolarHBondContact O-N 2.9Å
455	L	95.8	Very high	91.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	142.1	-178.3	-167.8	77.2	0	0	0	111.1	L356 Q379 L380 V383 G453 A469 S470 Y471	L356-L455 VanDerWaalsContact CD1-O 3.23Å; L356-L455 WeakPolarHBondContact CD1-O 3.47Å; Q379-L455 WeakPolarHBondContact O-CB 3.49Å; Q379-L455 WeakPolarHBondContact O-CD2 3.3Å; L380-L455 PolarHBondContact O-N 2.89Å; V383-L455 HydrophobicContact CG2-CD1 4.01Å; V383-L455 HydrophobicContact CG2-CD2 3.99Å; G453-L455 PolarHBondContact O-N 3.32Å; L455-A469 HydrophobicContact CD1-CB 3.85Å; L455-S470 CarbonylContact C-O 3.49Å; L455-S470 WeakPolarHBondContact CA-O 3.41Å; L455-Y471 HydrophobicContact CB-CD1 4.32Å; L455-Y471 HydrophobicContact CB-CE1 4.13Å; L455-Y471 HydrophobicContact CD1-CD1 4.18Å; L455-Y471 HydrophobicContact CD1-CE1 3.63Å
456	V	95.4	Very high	91.6	Very high	10 Å²	10	42.1 Å²	42.1	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-30.6	176.1	-58.9	0	0	0	0	114.1	S470 R472 M513 L516	V456-S470 WeakPolarHBondContact CG2-O 3.47Å; V456-S470 PolarHBondContact N-O 3.07Å; V456-R472 HydrophobicContact CG1-CB 4.49Å; V456-R472 HydrophobicContact CG1-CG 3.35Å; V456-M513 HydrophobicContact CB-SD 4.16Å; V456-M513 HydrophobicContact CG1-SD 3.79Å; V456-M513 HydrophobicContact CG2-CE 4.15Å; V456-M513 HydrophobicContact CG2-SD 3.73Å; V456-L516 HydrophobicContact CB-CD2 3.69Å; V456-L516 HydrophobicContact CG1-CD2 3.39Å
457	S	96.7	Very high	91.7	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	153.9	179.5	74.6	0	0	0	0	111.2	S470 T517 A519	S457-S470 PolarHBondContact O-N 3.16Å; S457-S470 VanDerWaalsContact OG-CB 3.29Å; S457-S470 WeakPolarHBondContact OG-CB 3.37Å; S457-S470 PolarHBondContact OG-OG 3.03Å; S457-T517 WeakPolarHBondContact CB-O 3.38Å; S457-A519 PolarHBondContact OG-N 3.18Å
458	L	96.8	Very high	91.8	Very high	10 Å²	10	39 Å²	39	5%	0.052	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	123.2	-179.9	-168.6	68.7	0	0	0	109.1	Q359 L376 V383 F467 L468 A469	Q359-L458 HydrophobicContact CG-CG 4.39Å; Q359-L458 PolarHBondContact NE2-O 2.85Å; Q359-L458 VanDerWaalsContact NE2-O 3.07Å; L376-L458 HydrophobicContact CB-CD2 4.26Å; L376-L458 HydrophobicContact CD2-CD1 3.81Å; L376-L458 HydrophobicContact CD2-CD2 3.8Å; L376-L458 HydrophobicContact CD2-CG 3.95Å; L376-L458 HydrophobicContact CG-CD2 3.82Å; V383-L458 HydrophobicContact CG1-CD1 4.35Å; L458-F467 HydrophobicContact CD1-CD2 4.06Å; L458-L468 WeakPolarHBondContact CA-O 3.3Å; L458-A469 HydrophobicContact CD1-CB 4.14Å
459	S	97.3	Very high	92	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.4	178.5	-174.3	0	0	0	0	109.8	F467 L468 A519 L521	S459-F467 CarbonylContact O-C 3.56Å; S459-F467 VanDerWaalsContact O-CA 3.31Å; S459-F467 WeakPolarHBondContact O-CA 3.46Å; S459-L468 PolarHBondContact N-O 3.09Å; S459-L468 PolarHBondContact O-N 3.49Å; S459-A519 WeakPolarHBondContact CB-O 3.41Å; S459-L521 PolarHBondContact OG-N 2.93Å
460	A	95.1	Very high	92.1	Very high	10 Å²	10	34.3 Å²	34.3	8%	0.083	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.2	174	0	0	0	0	0	109.6	Q359 L361 F467	Q359-A460 HydrophobicContact CB-CB 4.05Å; Q359-A460 HydrophobicContact CG-CB 4.18Å; L361-A460 HydrophobicContact CD2-CB 3.66Å; A460-F467 HydrophobicContact CB-CB 3.77Å
461	L	88.2	Confident	92.2	Very high	42 Å²	42	30.5 Å²	30.5	22%	0.22	17%	0.172	C	C	.	.			trans	-93	132.9	167.6	-72.2	177.8	0	0	0	108.7	Q463 G464 V523 L531	L461-Q463 PolarHBondContact O-N 2.75Å; L461-G464 PolarHBondContact O-N 2.99Å; L461-V523 HydrophobicContact CD1-CG2 3.79Å; L461-L531 HydrophobicContact CD1-CD1 3.39Å; L461-L531 HydrophobicContact CG-CD1 4.41Å
462	P	80.3	Confident	92.3	Very high	60 Å²	60	33.5 Å²	33.5	39%	0.39	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.5	-176.9	-26.1	33.9	0	0	0	113.8	S362	S362-P462 WeakPolarHBondContact CB-O 3.5Å; S362-P462 PolarHBondContact N-O 2.89Å
463	Q	79	Confident	92.6	Very high	160 Å²	160	29.7 Å²	29.7	75%	0.748	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.9	179.7	-57.2	80.1	11.7	0	0	113.1	L461	L461-Q463 PolarHBondContact O-N 2.75Å
464	G	81.3	Confident	92.7	Very high	23 Å²	23	30.8 Å²	30.8	24%	0.237	17%	0.17	C	C	.	.			trans	-102.1	148.3	-176.8	0	0	0	0	0	112.1	L461 Q466	L461-G464 PolarHBondContact O-N 2.99Å; G464-Q466 VanDerWaalsContact C-N 3.26Å
465	R	89.6	Confident	92.5	Very high	32 Å²	32	38.4 Å²	38.4	12%	0.121	20%	0.2	C	C	.	.	S	Bend	trans	-85	-4.7	168.1	-64.3	-110.8	167.8	-142.6	-18	112.5	A364 S371 A372 E486 L487	A364-R465 VanDerWaalsContact N-NH2 3.19Å; S371-R465 PolarHBondContact O-NH2 3.39Å; A372-R465 PolarHBondContact O-NH1 2.76Å; A372-R465 PolarHBondContact O-NH2 3.24Å; R465-E486 HydrophobicContact CB-CG 4.23Å; R465-E486 WeakPolarHBondContact O-CA 3.5Å; R465-L487 HydrophobicContact CB-CB 4.34Å; R465-L487 PolarHBondContact O-N 3.47Å
466	Q	93.9	Very high	92.2	Very high	64 Å²	64	47.3 Å²	47.3	30%	0.299	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137	179.2	-66.3	-179.2	-12.2	0	0	111.2	G464 L484 A485 E486 I504 L531	G464-Q466 VanDerWaalsContact C-N 3.26Å; Q466-L484 HydrophobicContact CB-CD1 4.48Å; Q466-A485 CarbonylContact C-O 3.54Å; Q466-A485 VanDerWaalsContact CA-O 3.29Å; Q466-A485 WeakPolarHBondContact CA-O 3.5Å; Q466-E486 HydrophobicContact CG-CB 4.12Å; Q466-E486 HydrophobicContact CG-CG 4.16Å; Q466-I504 HydrophobicContact CG-CD1 4.13Å; Q466-L531 HydrophobicContact CB-CD2 4.46Å
467	F	96.5	Very high	91.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.6	178.4	64.9	-88.6	0	0	0	110.8	L376 L449 L451 L458 S459 A460 A469 A485 L487 C501	L376-F467 HydrophobicContact CD2-CB 3.78Å; L376-F467 HydrophobicContact CD2-CD1 4.03Å; L376-F467 HydrophobicContact CD2-CD2 3.77Å; L376-F467 HydrophobicContact CD2-CE2 4.35Å; L376-F467 HydrophobicContact CD2-CG 3.58Å; L449-F467 HydrophobicContact CD1-CE1 4.16Å; L449-F467 HydrophobicContact CD1-CE2 4.47Å; L449-F467 HydrophobicContact CD1-CZ 3.69Å; L451-F467 HydrophobicContact CD1-CE2 3.77Å; L451-F467 HydrophobicContact CD1-CZ 4.04Å; L458-F467 HydrophobicContact CD1-CD2 4.06Å; S459-F467 CarbonylContact O-C 3.56Å; S459-F467 VanDerWaalsContact O-CA 3.31Å; S459-F467 WeakPolarHBondContact O-CA 3.46Å; A460-F467 HydrophobicContact CB-CB 3.77Å; F467-A469 HydrophobicContact CD2-CB 4.41Å; F467-A469 HydrophobicContact CE2-CB 4.33Å; F467-A485 HydrophobicContact CD2-CB 4.46Å; F467-A485 HydrophobicContact CE1-CB 3.97Å; F467-A485 HydrophobicContact CE2-CB 3.83Å; F467-A485 HydrophobicContact CZ-CB 3.55Å; F467-A485 PolarHBondContact N-O 2.97Å; F467-A485 PolarHBondContact O-N 3.34Å; F467-L487 HydrophobicContact CE1-CB 4.4Å; F467-C501 HydrophobicContact CE1-CB 4.13Å; F467-C501 HydrophobicContact CZ-CB 3.95Å
468	L	97.6	Very high	91.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115	178.8	-170.5	74.4	0	0	0	108.8	L458 S459 H482 L483 L484 L507 A519 L521 A533	L458-L468 WeakPolarHBondContact CA-O 3.3Å; S459-L468 PolarHBondContact N-O 3.09Å; S459-L468 PolarHBondContact O-N 3.49Å; L468-H482 HydrophobicContact CD1-CB 4.09Å; L468-H482 HydrophobicContact CG-CB 4.48Å; L468-L483 WeakPolarHBondContact CA-O 3.38Å; L468-L484 HydrophobicContact CD1-CB 4.35Å; L468-L507 HydrophobicContact CD1-CD1 4.14Å; L468-A519 HydrophobicContact CD2-CB 3.76Å; L468-L521 HydrophobicContact CB-CB 4.03Å; L468-L521 HydrophobicContact CB-CD1 4.48Å; L468-L521 HydrophobicContact CB-CD2 4.3Å; L468-A533 HydrophobicContact CD1-CB 4.21Å; L468-A533 HydrophobicContact CD2-CB 3.95Å
469	A	97.7	Very high	91.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.1	174.6	0	0	0	0	0	109.4	L451 L455 L458 F467 Y471 L483	L451-A469 HydrophobicContact CD1-CB 4.42Å; L455-A469 HydrophobicContact CD1-CB 3.85Å; L458-A469 HydrophobicContact CD1-CB 4.14Å; F467-A469 HydrophobicContact CD2-CB 4.41Å; F467-A469 HydrophobicContact CE2-CB 4.33Å; A469-Y471 HydrophobicContact CB-CE2 3.74Å; A469-Y471 WeakPolarHBondContact CB-OH 3.4Å; A469-Y471 WeakPolarHBondContact O-CE2 3.33Å; A469-L483 PolarHBondContact N-O 3.28Å; A469-L483 PolarHBondContact O-N 2.9Å
470	S	97.7	Very high	91.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.8	-176.5	-57.9	0	0	0	0	111.1	L455 V456 S457 R481 H482 A519	L455-S470 CarbonylContact C-O 3.49Å; L455-S470 WeakPolarHBondContact CA-O 3.41Å; V456-S470 WeakPolarHBondContact CG2-O 3.47Å; V456-S470 PolarHBondContact N-O 3.07Å; S457-S470 PolarHBondContact O-N 3.16Å; S457-S470 VanDerWaalsContact OG-CB 3.29Å; S457-S470 WeakPolarHBondContact OG-CB 3.37Å; S457-S470 PolarHBondContact OG-OG 3.03Å; S470-R481 CarbonylContact C-O 3.56Å; S470-R481 WeakPolarHBondContact CA-O 3.48Å; S470-H482 VanDerWaalsContact CB-ND1 3.32Å; S470-H482 WeakPolarHBondContact CB-ND1 3.39Å; S470-H482 PolarHBondContact OG-ND1 2.78Å; S470-A519 WeakPolarHBondContact OG-CB 3.29Å
471	Y	96.3	Very high	91.6	Very high	7 Å²	7	59 Å²	59	3%	0.027	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.1	-174.3	-57	-82.4	0	0	0	112.1	L451 S454 L455 A469 R481 L483	L451-Y471 VanDerWaalsContact CB-OH 3.31Å; L451-Y471 WeakPolarHBondContact CB-OH 3.28Å; L451-Y471 WeakPolarHBondContact CD1-OH 3.36Å; S454-Y471 WeakPolarHBondContact O-CA 3.48Å; L455-Y471 HydrophobicContact CB-CD1 4.32Å; L455-Y471 HydrophobicContact CB-CE1 4.13Å; L455-Y471 HydrophobicContact CD1-CD1 4.18Å; L455-Y471 HydrophobicContact CD1-CE1 3.63Å; A469-Y471 HydrophobicContact CB-CE2 3.74Å; A469-Y471 WeakPolarHBondContact CB-OH 3.4Å; A469-Y471 WeakPolarHBondContact O-CE2 3.33Å; Y471-R481 PolarHBondContact N-O 2.84Å; Y471-R481 PolarHBondContact O-N 3.46Å; Y471-L483 HydrophobicContact CD2-CB 4.5Å; Y471-L483 HydrophobicContact CE2-CB 3.98Å; Y471-L483 HydrophobicContact CE2-CD2 4.29Å
472	R	94.5	Very high	92.1	Very high	76 Å²	76	57 Å²	57	29%	0.287	28%	0.278	S	S	.	.			trans	-68.4	155.2	171.9	-70.8	-166.9	159.2	159.7	-12.5	112.1	S454 V456 M513 K514	S454-R472 PolarHBondContact O-N 2.9Å; V456-R472 HydrophobicContact CG1-CB 4.49Å; V456-R472 HydrophobicContact CG1-CG 3.35Å; R472-M513 HydrophobicContact CG-SD 3.88Å; R472-M513 PolarHBondContact NE-O 2.83Å; R472-K514 PolarHBondContact NH2-O 2.86Å; R472-K514 VanDerWaalsContact NH2-O 3.08Å
473	P	93.3	Very high	92.9	Very high	38 Å²	38	54.1 Å²	54.1	25%	0.247	26%	0.26	C	S	.	.			trans	-53.8	142.3	163.9	-19.2	31.2	0	0	0	110.4	L477 V480 N511	P473-L477 CarbonylContact C-O 3.29Å; P473-L477 WeakPolarHBondContact CA-O 3.35Å; P473-V480 HydrophobicContact CG-CG2 3.75Å; P473-N511 VanDerWaalsContact CG-O 3.3Å; P473-N511 WeakPolarHBondContact CG-O 3.43Å
474	S	90.5	Very high	93.7	Very high	57 Å²	57	46.5 Å²	46.5	40%	0.399	22%	0.224	S	C	.	.			trans	-134.1	172.5	175.1	65.7	0	0	0	0	109.5	R476 L477 P478	S474-R476 PolarHBondContact O-N 3Å; S474-R476 PolarHBondContact OG-N 3.37Å; S474-L477 PolarHBondContact N-O 3.43Å; S474-L477 CarbonylContact O-C 3.55Å; S474-L477 PolarHBondContact O-N 2.96Å; S474-L477 VanDerWaalsContact O-O 3.06Å; S474-L477 PolarHBondContact OG-N 2.81Å; S474-P478 WeakPolarHBondContact O-CA 3.32Å
475	Q	88.4	Confident	94.4	Very high	205 Å²	205	45.4 Å²	45.4	96%	0.958	21%	0.213	S	C	*	.	S	Bend	trans	-59.9	-34.9	174.2	-67.7	-179.8	-5.7	0	0	112.4
476	R	89.5	Confident	94.7	Very high	189 Å²	189	46.2 Å²	46.2	71%	0.713	22%	0.218	S	C	*	.	S	Bend	trans	-76.7	-39.7	178.6	-176.1	177.2	174.7	-170.3	-7.7	112.3	E452 S474	E452-R476 IonicContact OE1-NH1 3.89Å; E452-R476 IonicContact OE2-CZ 3.15Å; E452-R476 IonicContact OE2-NH1 3.94Å; E452-R476 PolarHBondContact OE2-NH1 2.63Å; E452-R476 IonicContact OE2-NH2 3.28Å; S474-R476 PolarHBondContact O-N 3Å; S474-R476 PolarHBondContact OG-N 3.37Å
477	L	90.8	Very high	94.7	Very high	61 Å²	61	43.3 Å²	43.3	32%	0.319	21%	0.205	S	C	.	.	S	Bend	trans	-124.7	91.6	-180	-64.4	177.4	0	0	0	108.6	P473 S474 R479 W508	P473-L477 CarbonylContact C-O 3.29Å; P473-L477 WeakPolarHBondContact CA-O 3.35Å; S474-L477 PolarHBondContact N-O 3.43Å; S474-L477 CarbonylContact O-C 3.55Å; S474-L477 PolarHBondContact O-N 2.96Å; S474-L477 VanDerWaalsContact O-O 3.06Å; S474-L477 PolarHBondContact OG-N 2.81Å; L477-R479 PolarHBondContact O-N 2.8Å; L477-W508 HydrophobicContact CD1-CH2 4.37Å; L477-W508 HydrophobicContact CD2-CH2 4.03Å
478	P	92.3	Very high	94.4	Very high	88 Å²	88	46.5 Å²	46.5	57%	0.571	22%	0.219	S	C	*	.			trans	-77.4	23.2	-169.9	33.2	-37.8	0	0	0	113.6	S474 N511	S474-P478 WeakPolarHBondContact O-CA 3.32Å; P478-N511 WeakPolarHBondContact O-CB 3.45Å
479	R	94.7	Very high	93.9	Very high	116 Å²	116	47.9 Å²	47.9	44%	0.438	23%	0.229	S	C	.	.	S	Bend	trans	-137.2	149.2	-179.6	-65.8	-179.5	67	-176.5	1.8	110	L477 R481 W508 A509 G510	L477-R479 PolarHBondContact O-N 2.8Å; R479-R481 PolarHBondContact O-N 2.86Å; R479-W508 HydrophobicContact CB-CE3 3.83Å; R479-W508 HydrophobicContact CB-CZ3 4.18Å; R479-A509 PolarHBondContact NE-O 2.82Å; R479-A509 PolarHBondContact NH2-O 3.25Å; R479-G510 CarbonylContact C-O 3.53Å; R479-G510 WeakPolarHBondContact CA-O 3.23Å
480	V	95.7	Very high	93.1	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.024	26%	0.257	C	S	.	.			trans	-60.7	128.5	168.4	176.2	0	0	0	0	107.8	P473 H482 A509 G510 R512 M513	P473-V480 HydrophobicContact CG-CG2 3.75Å; V480-H482 VanDerWaalsContact CG1-NE2 3.33Å; V480-H482 WeakPolarHBondContact CG1-NE2 3.33Å; V480-A509 HydrophobicContact CB-CB 3.89Å; V480-A509 HydrophobicContact CG1-CB 3.99Å; V480-A509 PolarHBondContact O-N 3.45Å; V480-G510 PolarHBondContact N-O 2.81Å; V480-R512 WeakPolarHBondContact CG2-O 3.37Å; V480-M513 HydrophobicContact CB-CE 4.42Å; V480-M513 HydrophobicContact CG1-CE 3.48Å; V480-M513 VanDerWaalsContact CG1-CE 3.48Å; V480-M513 HydrophobicContact CG2-CB 3.88Å; V480-M513 HydrophobicContact CG2-CE 3.98Å
481	R	96.5	Very high	92	Very high	15 Å²	15	57.5 Å²	57.5	6%	0.057	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.8	-178.6	-173.9	175.5	85.6	116.7	-9.9	109.2	E452 S470 Y471 R479 E503 N506 W508	E452-R481 PolarHBondContact O-NH2 3.48Å; S470-R481 CarbonylContact C-O 3.56Å; S470-R481 WeakPolarHBondContact CA-O 3.48Å; Y471-R481 PolarHBondContact N-O 2.84Å; Y471-R481 PolarHBondContact O-N 3.46Å; R479-R481 PolarHBondContact O-N 2.86Å; R481-E503 IonicContact CZ-OE1 2.86Å; R481-E503 IonicContact NH1-OE1 2.94Å; R481-E503 PolarHBondContact NH1-OE1 3.41Å; R481-E503 VanDerWaalsContact NH1-OE1 3.13Å; R481-E503 IonicContact NH1-OE2 2.84Å; R481-E503 IonicContact NH2-OE1 2.74Å; R481-N506 VanDerWaalsContact CD-OD1 3.22Å; R481-N506 WeakPolarHBondContact CD-OD1 3.16Å; R481-N506 PolarHBondContact NH1-OD1 2.93Å; R481-W508 HydrophobicContact CB-CE3 4.13Å; R481-W508 HydrophobicContact CB-CH2 4.24Å; R481-W508 HydrophobicContact CB-CZ3 3.7Å; R481-W508 HydrophobicContact CG-CE3 4.33Å; R481-W508 HydrophobicContact CG-CH2 3.94Å; R481-W508 HydrophobicContact CG-CZ2 4.44Å; R481-W508 HydrophobicContact CG-CZ3 3.89Å
482	H	97.3	Very high	90.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.8	167.2	-51.2	-81.2	0	0	0	107.8	L468 S470 V480 L507 A535 W546	L468-H482 HydrophobicContact CD1-CB 4.09Å; L468-H482 HydrophobicContact CG-CB 4.48Å; S470-H482 VanDerWaalsContact CB-ND1 3.32Å; S470-H482 WeakPolarHBondContact CB-ND1 3.39Å; S470-H482 PolarHBondContact OG-ND1 2.78Å; V480-H482 VanDerWaalsContact CG1-NE2 3.33Å; V480-H482 WeakPolarHBondContact CG1-NE2 3.33Å; H482-L507 HydrophobicContact CB-CB 4.15Å; H482-L507 PolarHBondContact N-O 2.82Å; H482-L507 WeakPolarHBondContact O-CA 3.29Å; H482-L507 VanDerWaalsContact O-CB 3.3Å; H482-L507 WeakPolarHBondContact O-CB 3.38Å; H482-L507 PolarHBondContact O-N 3.47Å; H482-A535 WeakPolarHBondContact CE1-CB 3.32Å; H482-A535 WeakPolarHBondContact NE2-CB 3.47Å; H482-W546 AromaticContact CD2-CH2 3.63Å
483	L	97.1	Very high	89.4	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117.1	-178	174	66.4	0	0	0	109.8	L451 L468 A469 Y471 A485 E503	L451-L483 HydrophobicContact CD1-CD2 4.33Å; L451-L483 HydrophobicContact CD2-CD2 3.44Å; L451-L483 VanDerWaalsContact CD2-CD2 3.44Å; L451-L483 HydrophobicContact CG-CD2 4.41Å; L468-L483 WeakPolarHBondContact CA-O 3.38Å; A469-L483 PolarHBondContact N-O 3.28Å; A469-L483 PolarHBondContact O-N 2.9Å; Y471-L483 HydrophobicContact CD2-CB 4.5Å; Y471-L483 HydrophobicContact CE2-CB 3.98Å; Y471-L483 HydrophobicContact CE2-CD2 4.29Å; L483-A485 HydrophobicContact CD2-CB 4.46Å; L483-A485 HydrophobicContact CG-CB 4.34Å; L483-E503 HydrophobicContact CD1-CB 3.84Å; L483-E503 HydrophobicContact CD1-CG 3.76Å; L483-E503 HydrophobicContact CD2-CG 3.95Å; L483-E503 VanDerWaalsContact CD2-OE1 3.25Å; L483-E503 WeakPolarHBondContact CD2-OE1 3.29Å; L483-E503 HydrophobicContact CG-CG 4.41Å
484	L	97.4	Very high	88.1	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.4	164.3	-179.4	69.6	0	0	0	108.5	Q466 L468 I504 H505 L521 L531 C548	Q466-L484 HydrophobicContact CB-CD1 4.48Å; L468-L484 HydrophobicContact CD1-CB 4.35Å; L484-I504 HydrophobicContact CD2-CB 4.21Å; L484-I504 HydrophobicContact CD2-CD1 4.43Å; L484-I504 HydrophobicContact CD2-CG2 4.16Å; L484-I504 HydrophobicContact CG-CB 4.24Å; L484-I504 HydrophobicContact CG-CD1 4.34Å; L484-I504 PolarHBondContact O-N 2.78Å; L484-H505 HydrophobicContact CB-CB 4.34Å; L484-H505 PolarHBondContact N-O 2.99Å; L484-H505 PolarHBondContact O-N 3.21Å; L484-L521 HydrophobicContact CD1-CD1 3.91Å; L484-L521 HydrophobicContact CD1-CD2 4.05Å; L484-L531 HydrophobicContact CD1-CD2 4.39Å; L484-C548 HydrophobicContact CD2-CB 3.59Å
485	A	96.1	Very high	87.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	161.4	179	0	0	0	0	0	110.8	Q466 F467 L483 C501 R502	Q466-A485 CarbonylContact C-O 3.54Å; Q466-A485 VanDerWaalsContact CA-O 3.29Å; Q466-A485 WeakPolarHBondContact CA-O 3.5Å; F467-A485 HydrophobicContact CD2-CB 4.46Å; F467-A485 HydrophobicContact CE1-CB 3.97Å; F467-A485 HydrophobicContact CE2-CB 3.83Å; F467-A485 HydrophobicContact CZ-CB 3.55Å; F467-A485 PolarHBondContact N-O 2.97Å; F467-A485 PolarHBondContact O-N 3.34Å; L483-A485 HydrophobicContact CD2-CB 4.46Å; L483-A485 HydrophobicContact CG-CB 4.34Å; A485-C501 HydrophobicContact CB-CB 4.5Å; A485-R502 CarbonylContact C-O 3.59Å; A485-R502 VanDerWaalsContact CA-O 3.26Å; A485-R502 WeakPolarHBondContact CA-O 3.46Å
486	E	94.1	Very high	86.4	Confident	48 Å²	48	64.6 Å²	64.6	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.8	178.2	-179.2	176	-161.4	0	0	110.1	R465 Q466 C501 R502 I504	R465-E486 HydrophobicContact CB-CG 4.23Å; R465-E486 WeakPolarHBondContact O-CA 3.5Å; Q466-E486 HydrophobicContact CG-CB 4.12Å; Q466-E486 HydrophobicContact CG-CG 4.16Å; E486-C501 CarbonylContact O-C 3.49Å; E486-C501 WeakPolarHBondContact O-CA 3.34Å; E486-C501 WeakPolarHBondContact O-CB 3.44Å; E486-R502 PolarHBondContact N-O 3.05Å; E486-R502 PolarHBondContact O-N 3.5Å; E486-R502 IonicContact OE2-CZ 3.59Å; E486-R502 IonicContact OE2-NE 3.15Å; E486-R502 IonicContact OE2-NH2 3.86Å; E486-R502 PolarHBondContact OE2-NH2 3.5Å; E486-I504 HydrophobicContact CB-CD1 3.75Å; E486-I504 HydrophobicContact CB-CG1 4.26Å
487	L	93.9	Very high	86.1	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.5	175.3	-171.8	75.4	0	0	0	109.6	L361 F385 L449 R465 F467 Y499 S500	L361-L487 HydrophobicContact CD1-CD2 3.83Å; F385-L487 HydrophobicContact CB-CD1 3.84Å; F385-L487 HydrophobicContact CD1-CD1 4.13Å; F385-L487 HydrophobicContact CD1-CD2 3.84Å; F385-L487 HydrophobicContact CD2-CD1 4.41Å; F385-L487 HydrophobicContact CD2-CD2 3.74Å; F385-L487 HydrophobicContact CE1-CD2 3.8Å; F385-L487 HydrophobicContact CE2-CD2 3.72Å; F385-L487 HydrophobicContact CG-CD1 3.87Å; F385-L487 HydrophobicContact CG-CD2 3.8Å; F385-L487 HydrophobicContact CZ-CD2 3.75Å; L449-L487 HydrophobicContact CD1-CD1 4.23Å; L449-L487 HydrophobicContact CD2-CD1 3.87Å; R465-L487 HydrophobicContact CB-CB 4.34Å; R465-L487 PolarHBondContact O-N 3.47Å; F467-L487 HydrophobicContact CE1-CB 4.4Å; L487-Y499 HydrophobicContact CD1-CD1 4.49Å; L487-Y499 HydrophobicContact CD2-CD1 4.07Å; L487-Y499 HydrophobicContact CG-CD1 4.12Å; L487-S500 WeakPolarHBondContact CD1-O 3.44Å
488	Q	90.2	Very high	86.1	Confident	67 Å²	67	56.9 Å²	56.9	31%	0.313	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.3	179.5	-64	-173	-37.9	0	0	109.9	Y499 S500 R502	Q488-Y499 WeakPolarHBondContact O-CA 3.33Å; Q488-S500 PolarHBondContact N-O 2.79Å; Q488-S500 PolarHBondContact O-N 2.69Å; Q488-R502 HydrophobicContact CG-CB 4.27Å
489	S	88.2	Confident	86.1	Confident	30 Å²	30	53.4 Å²	53.4	21%	0.21	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.1	170.2	60	0	0	0	0	109.7	S371	S371-S489 PolarHBondContact OG-OG 2.78Å
490	E	81.4	Confident	86.1	Confident	125 Å²	125	49.5 Å²	49.5	58%	0.584	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	100.7	166.8	-71.6	178.7	-166.6	0	0	108.1	A498	E490-A498 PolarHBondContact N-O 3.21Å; E490-A498 PolarHBondContact O-N 3.05Å; E490-A498 VanDerWaalsContact O-N 3.11Å
491	T	74.9	Confident	86	Confident	77 Å²	77	49.9 Å²	49.9	47%	0.472	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114	172.1	37.5	0	0	0	0	109.5	T497	T491-T497 HydrophobicContact CG2-CG2 3.83Å
492	S	68.5	Low	85.9	Confident	61 Å²	61	55.1 Å²	55.1	43%	0.427	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.9	167.2	174.5	0	0	0	0	109.1	V494 A495	S492-V494 PolarHBondContact O-N 3.1Å; S492-A495 PolarHBondContact O-N 2.85Å
493	P	67.4	Low	85.8	Confident	136 Å²	136	59.1 Å²	59.1	88%	0.883	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.6	179.6	22.7	-31.3	0	0	0	114.2
494	V	66.3	Low	85.7	Confident	139 Å²	139	61.6 Å²	61.6	84%	0.842	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-13.8	-175.1	-170	0	0	0	0	112.5	S492	S492-V494 PolarHBondContact O-N 3.1Å
495	A	67.6	Low	85.6	Confident	58 Å²	58	63.9 Å²	63.9	48%	0.479	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.6	-174.1	0	0	0	0	0	111.7	S492	S492-A495 PolarHBondContact O-N 2.85Å
496	E	75.8	Confident	85.5	Confident	138 Å²	138	66.6 Å²	66.6	65%	0.645	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.7	142.2	172.6	-70.3	179.6	173.3	0	0	111.2	K445 A498	K445-E496 IonicContact NZ-OE2 2.61Å; K445-E496 PolarHBondContact NZ-OE2 2.86Å; E496-A498 PolarHBondContact O-N 2.96Å; E496-A498 VanDerWaalsContact O-N 3.16Å
497	T	83.3	Confident	85.7	Confident	46 Å²	46	64.5 Å²	64.5	28%	0.282	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	121	179.4	-49.9	0	0	0	0	110.9	H447 T491 Y499	H447-T497 PolarHBondContact CE1-O 3.47Å; H447-T497 VanDerWaalsContact CE1-O 3.29Å; T491-T497 HydrophobicContact CG2-CG2 3.83Å; T497-Y499 HydrophobicContact CG2-CD2 4.49Å; T497-Y499 HydrophobicContact CG2-CE1 4.49Å; T497-Y499 HydrophobicContact CG2-CE2 3.81Å
498	A	89.1	Confident	85.8	Confident	42 Å²	42	68.4 Å²	68.4	35%	0.347	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.3	172.1	0	0	0	0	0	109.6	E490 E496	E490-A498 PolarHBondContact N-O 3.21Å; E490-A498 PolarHBondContact O-N 3.05Å; E490-A498 VanDerWaalsContact O-N 3.11Å; E496-A498 PolarHBondContact O-N 2.96Å; E496-A498 VanDerWaalsContact O-N 3.16Å
499	Y	92.8	Very high	86	Confident	14 Å²	14	65.4 Å²	65.4	6%	0.055	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.2	174.7	-66.7	-92.4	0	0	0	111.1	A372 F385 H447 L487 Q488 T497	A372-Y499 VanDerWaalsContact CB-OH 3.31Å; A372-Y499 WeakPolarHBondContact CB-OH 3.45Å; A372-Y499 PolarHBondContact N-OH 3.21Å; F385-Y499 AromaticContact CD1-CD1 3.92Å; F385-Y499 HydrophobicContact CD1-CD1 3.92Å; F385-Y499 AromaticContact CD1-CD2 3.83Å; F385-Y499 HydrophobicContact CD1-CD2 3.83Å; F385-Y499 HydrophobicContact CD1-CE2 4.46Å; F385-Y499 AromaticContact CD1-CG 3.53Å; F385-Y499 HydrophobicContact CD1-CG 3.53Å; F385-Y499 AromaticContact CE1-CD1 3.71Å; F385-Y499 HydrophobicContact CE1-CD1 3.71Å; F385-Y499 AromaticContact CE1-CD2 3.75Å; F385-Y499 HydrophobicContact CE1-CD2 3.75Å; F385-Y499 AromaticContact CE1-CE1 3.87Å; F385-Y499 HydrophobicContact CE1-CE1 3.87Å; F385-Y499 AromaticContact CE1-CE2 3.93Å; F385-Y499 HydrophobicContact CE1-CE2 3.93Å; F385-Y499 AromaticContact CE1-CG 3.64Å; F385-Y499 HydrophobicContact CE1-CG 3.64Å; F385-Y499 AromaticContact CE1-CZ 3.99Å; H447-Y499 AromaticContact CD2-CD2 3.74Å; H447-Y499 AromaticContact CE1-CD2 3.82Å; H447-Y499 PolarHBondContact ND1-N 2.82Å; H447-Y499 AromaticContact NE2-CD2 3.61Å; L487-Y499 HydrophobicContact CD1-CD1 4.49Å; L487-Y499 HydrophobicContact CD2-CD1 4.07Å; L487-Y499 HydrophobicContact CG-CD1 4.12Å; Q488-Y499 WeakPolarHBondContact O-CA 3.33Å; T497-Y499 HydrophobicContact CG2-CD2 4.49Å; T497-Y499 HydrophobicContact CG2-CE1 4.49Å; T497-Y499 HydrophobicContact CG2-CE2 3.81Å
500	S	93.9	Very high	86.1	Confident	34 Å²	34	64.3 Å²	64.3	24%	0.238	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	-174	171.9	-171	0	0	0	0	108.7	L487 Q488	L487-S500 WeakPolarHBondContact CD1-O 3.44Å; Q488-S500 PolarHBondContact N-O 2.79Å; Q488-S500 PolarHBondContact O-N 2.69Å
501	C	93.9	Very high	86.7	Confident	12 Å²	12	62.8 Å²	62.8	8%	0.081	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.4	172.3	66.8	0	0	0	0	112.2	L449 L451 F467 A485 E486	L449-C501 HydrophobicContact CD1-CB 4.24Å; L449-C501 HydrophobicContact CD2-CB 4.23Å; L451-C501 VanDerWaalsContact CD2-SG 3.51Å; F467-C501 HydrophobicContact CE1-CB 4.13Å; F467-C501 HydrophobicContact CZ-CB 3.95Å; A485-C501 HydrophobicContact CB-CB 4.5Å; E486-C501 CarbonylContact O-C 3.49Å; E486-C501 WeakPolarHBondContact O-CA 3.34Å; E486-C501 WeakPolarHBondContact O-CB 3.44Å
502	R	94.3	Very high	87.4	Confident	126 Å²	126	65 Å²	65	48%	0.475	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.5	168.6	177.1	174.5	66.3	-179.1	0.8	109.2	A485 E486 Q488 I504	A485-R502 CarbonylContact C-O 3.59Å; A485-R502 VanDerWaalsContact CA-O 3.26Å; A485-R502 WeakPolarHBondContact CA-O 3.46Å; E486-R502 PolarHBondContact N-O 3.05Å; E486-R502 PolarHBondContact O-N 3.5Å; E486-R502 IonicContact OE2-CZ 3.59Å; E486-R502 IonicContact OE2-NE 3.15Å; E486-R502 IonicContact OE2-NH2 3.86Å; E486-R502 PolarHBondContact OE2-NH2 3.5Å; Q488-R502 HydrophobicContact CG-CB 4.27Å; R502-I504 PolarHBondContact O-N 3.38Å
503	E	94.9	Very high	88.5	Confident	84 Å²	84	62.9 Å²	62.9	39%	0.393	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	126	167.1	-63.4	-154.9	161.1	0	0	109.3	L451 R481 L483 N506	L451-E503 HydrophobicContact CD2-CG 4.37Å; R481-E503 IonicContact CZ-OE1 2.86Å; R481-E503 IonicContact NH1-OE1 2.94Å; R481-E503 PolarHBondContact NH1-OE1 3.41Å; R481-E503 VanDerWaalsContact NH1-OE1 3.13Å; R481-E503 IonicContact NH1-OE2 2.84Å; R481-E503 IonicContact NH2-OE1 2.74Å; L483-E503 HydrophobicContact CD1-CB 3.84Å; L483-E503 HydrophobicContact CD1-CG 3.76Å; L483-E503 HydrophobicContact CD2-CG 3.95Å; L483-E503 VanDerWaalsContact CD2-OE1 3.25Å; L483-E503 WeakPolarHBondContact CD2-OE1 3.29Å; L483-E503 HydrophobicContact CG-CG 4.41Å; E503-N506 PolarHBondContact OE2-ND2 3.02Å
504	I	94.8	Very high	89.6	Confident	52 Å²	52	62.3 Å²	62.3	27%	0.267	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-62.6	177.7	-58	176.7	0	0	0	109.5	Q466 L484 E486 R502	Q466-I504 HydrophobicContact CG-CD1 4.13Å; L484-I504 HydrophobicContact CD2-CB 4.21Å; L484-I504 HydrophobicContact CD2-CD1 4.43Å; L484-I504 HydrophobicContact CD2-CG2 4.16Å; L484-I504 HydrophobicContact CG-CB 4.24Å; L484-I504 HydrophobicContact CG-CD1 4.34Å; L484-I504 PolarHBondContact O-N 2.78Å; E486-I504 HydrophobicContact CB-CD1 3.75Å; E486-I504 HydrophobicContact CB-CG1 4.26Å; R502-I504 PolarHBondContact O-N 3.38Å
505	H	95.8	Very high	90.6	Very high	48 Å²	48	58.8 Å²	58.8	22%	0.222	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.6	-175.3	-74.1	-58.2	0	0	0	111.4	L484 L507 C548 S549	L484-H505 HydrophobicContact CB-CB 4.34Å; L484-H505 PolarHBondContact N-O 2.99Å; L484-H505 PolarHBondContact O-N 3.21Å; H505-L507 HydrophobicContact CB-CD2 4.06Å; H505-C548 PolarHBondContact CD2-O 3.38Å; H505-S549 PolarHBondContact NE2-O 3.32Å
506	N	95.4	Very high	91.7	Very high	58 Å²	58	57.6 Å²	57.6	31%	0.31	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	103.8	169.7	-76.4	-80.3	0	0	0	108.8	R481 E503 W508	R481-N506 VanDerWaalsContact CD-OD1 3.22Å; R481-N506 WeakPolarHBondContact CD-OD1 3.16Å; R481-N506 PolarHBondContact NH1-OD1 2.93Å; E503-N506 PolarHBondContact OE2-ND2 3.02Å; N506-W508 HydrophobicContact CB-CZ2 4.07Å; N506-W508 VanDerWaalsContact O-CD1 3.25Å; N506-W508 PolarHBondContact O-N 2.95Å
507	L	96.8	Very high	92.5	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	106.1	179.3	-46.8	174.1	0	0	0	108.7	L468 H482 H505 A533 W546	L468-L507 HydrophobicContact CD1-CD1 4.14Å; H482-L507 HydrophobicContact CB-CB 4.15Å; H482-L507 PolarHBondContact N-O 2.82Å; H482-L507 WeakPolarHBondContact O-CA 3.29Å; H482-L507 VanDerWaalsContact O-CB 3.3Å; H482-L507 WeakPolarHBondContact O-CB 3.38Å; H482-L507 PolarHBondContact O-N 3.47Å; H505-L507 HydrophobicContact CB-CD2 4.06Å; L507-A533 HydrophobicContact CD1-CB 3.59Å; L507-W546 HydrophobicContact CB-CD2 4.01Å; L507-W546 HydrophobicContact CB-CE3 4.46Å; L507-W546 HydrophobicContact CB-CG 4.17Å; L507-W546 HydrophobicContact CB-CZ2 4.4Å; L507-W546 HydrophobicContact CD1-CB 3.92Å; L507-W546 HydrophobicContact CD1-CD2 4.16Å; L507-W546 HydrophobicContact CD1-CE3 4.21Å; L507-W546 HydrophobicContact CD1-CG 4.06Å; L507-W546 HydrophobicContact CD2-CB 4.01Å; L507-W546 HydrophobicContact CD2-CG 4.03Å; L507-W546 HydrophobicContact CG-CB 4.47Å; L507-W546 HydrophobicContact CG-CG 4.32Å
508	W	95.7	Very high	93.2	Very high	87 Å²	87	51.4 Å²	51.4	33%	0.33	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.2	-172.9	-63.8	101.8	0	0	0	111.8	L477 R479 R481 N506	L477-W508 HydrophobicContact CD1-CH2 4.37Å; L477-W508 HydrophobicContact CD2-CH2 4.03Å; R479-W508 HydrophobicContact CB-CE3 3.83Å; R479-W508 HydrophobicContact CB-CZ3 4.18Å; R481-W508 HydrophobicContact CB-CE3 4.13Å; R481-W508 HydrophobicContact CB-CH2 4.24Å; R481-W508 HydrophobicContact CB-CZ3 3.7Å; R481-W508 HydrophobicContact CG-CE3 4.33Å; R481-W508 HydrophobicContact CG-CH2 3.94Å; R481-W508 HydrophobicContact CG-CZ2 4.44Å; R481-W508 HydrophobicContact CG-CZ3 3.89Å; N506-W508 HydrophobicContact CB-CZ2 4.07Å; N506-W508 VanDerWaalsContact O-CD1 3.25Å; N506-W508 PolarHBondContact O-N 2.95Å
509	A	94.3	Very high	93.6	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	23%	0.227	C	C	.	.			trans	-107.4	-154.4	172.9	0	0	0	0	0	110.4	R479 V480 L544 W546	R479-A509 PolarHBondContact NE-O 2.82Å; R479-A509 PolarHBondContact NH2-O 3.25Å; V480-A509 HydrophobicContact CB-CB 3.89Å; V480-A509 HydrophobicContact CG1-CB 3.99Å; V480-A509 PolarHBondContact O-N 3.45Å; A509-L544 HydrophobicContact CB-CD1 4.09Å; A509-W546 HydrophobicContact CB-CH2 4.29Å; A509-W546 HydrophobicContact CB-CZ2 4.36Å
510	G	91.8	Very high	93.8	Very high	7 Å²	7	52.5 Å²	52.5	7%	0.072	24%	0.24	C	C	.	.			trans	-69.2	-174.5	-178.2	0	0	0	0	0	114.5	R479 V480 N537 D539	R479-G510 CarbonylContact C-O 3.53Å; R479-G510 WeakPolarHBondContact CA-O 3.23Å; V480-G510 PolarHBondContact N-O 2.81Å; G510-N537 PolarHBondContact N-ND2 2.8Å; G510-D539 VanDerWaalsContact C-OD2 3.3Å; G510-D539 WeakPolarHBondContact CA-OD2 3.25Å
511	N	93.1	Very high	94	Very high	94 Å²	94	51 Å²	51	50%	0.503	23%	0.229	S	C	.	.	S	Bend	trans	-98.4	-0.2	178	66.3	8.7	0	0	0	113.7	P473 P478 D539	P473-N511 VanDerWaalsContact CG-O 3.3Å; P473-N511 WeakPolarHBondContact CG-O 3.43Å; P478-N511 WeakPolarHBondContact O-CB 3.45Å; N511-D539 PolarHBondContact N-OD2 2.87Å; N511-D539 PolarHBondContact OD1-OD1 3.4Å; N511-D539 PolarHBondContact OD1-OD2 2.96Å
512	R	90.4	Very high	94	Very high	123 Å²	123	51.2 Å²	51.2	46%	0.464	23%	0.229	S	C	.	.			trans	-123.6	143.6	-179.7	-72.6	173.4	-63.9	-167.1	6.7	112.3	V480 E538 D539	V480-R512 WeakPolarHBondContact CG2-O 3.37Å; R512-E538 HydrophobicContact CB-CB 4.39Å; R512-D539 IonicContact CZ-OD1 2.8Å; R512-D539 VanDerWaalsContact CZ-OD1 3.22Å; R512-D539 IonicContact NE-OD1 3.68Å; R512-D539 PolarHBondContact NE-OD1 2.77Å; R512-D539 IonicContact NH2-OD1 3.85Å; R512-D539 PolarHBondContact NH2-OD1 2.79Å
513	M	92.2	Very high	93.9	Very high	17 Å²	17	49.8 Å²	49.8	8%	0.084	23%	0.234	C	C	.	.			trans	-155.7	77.1	169.1	-176.3	-178.4	-79	0	0	108.9	V456 R472 V480 K515 T517 E538	V456-M513 HydrophobicContact CB-SD 4.16Å; V456-M513 HydrophobicContact CG1-SD 3.79Å; V456-M513 HydrophobicContact CG2-CE 4.15Å; V456-M513 HydrophobicContact CG2-SD 3.73Å; R472-M513 HydrophobicContact CG-SD 3.88Å; R472-M513 PolarHBondContact NE-O 2.83Å; V480-M513 HydrophobicContact CB-CE 4.42Å; V480-M513 HydrophobicContact CG1-CE 3.48Å; V480-M513 VanDerWaalsContact CG1-CE 3.48Å; V480-M513 HydrophobicContact CG2-CB 3.88Å; V480-M513 HydrophobicContact CG2-CE 3.98Å; M513-K515 WeakPolarHBondContact CG-O 3.23Å; M513-T517 WeakPolarHBondContact CE-OG1 3.17Å; M513-E538 WeakPolarHBondContact CA-OE1 3.22Å
514	K	88.6	Confident	93.7	Very high	124 Å²	124	46.1 Å²	46.1	54%	0.539	22%	0.218	S	C	.	.	S	Bend	trans	-63.3	-49.6	175.2	-65.2	-178	-172.9	179.7	0	110.4	R472 E538 D565	R472-K514 PolarHBondContact NH2-O 2.86Å; R472-K514 VanDerWaalsContact NH2-O 3.08Å; K514-E538 PolarHBondContact N-OE1 2.94Å; K514-E538 PolarHBondContact N-OE2 2.95Å; K514-D565 IonicContact NZ-OD1 3.93Å; K514-D565 PolarHBondContact NZ-OD1 3.29Å
515	K	89.2	Confident	93.3	Very high	64 Å²	64	44.9 Å²	44.9	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	-98.9	143.6	179.5	-64.4	-169.9	179.9	171.8	0	110.7	M513 T517 E538 D565 P567 L569	M513-K515 WeakPolarHBondContact CG-O 3.23Å; K515-T517 PolarHBondContact O-N 2.89Å; K515-T517 VanDerWaalsContact O-N 3.14Å; K515-E538 PolarHBondContact N-OE1 2.85Å; K515-E538 VanDerWaalsContact N-OE1 3.13Å; K515-D565 PolarHBondContact NZ-O 3.46Å; K515-P567 HydrophobicContact CB-CG 3.9Å; K515-P567 HydrophobicContact CD-CG 3.99Å; K515-P567 HydrophobicContact CG-CG 4.11Å; K515-L569 HydrophobicContact CB-CD2 3.78Å; K515-L569 HydrophobicContact CD-CD2 3.76Å; K515-L569 HydrophobicContact CG-CD2 4.4Å
516	L	90.1	Very high	92.5	Very high	33 Å²	33	43.6 Å²	43.6	17%	0.173	21%	0.211	C	C	.	.			trans	-69.1	109.2	177.5	-67.7	173.2	0	0	0	109	R219 V456	R219-L516 PolarHBondContact NH1-O 3.44Å; R219-L516 PolarHBondContact NH2-O 3.41Å; V456-L516 HydrophobicContact CB-CD2 3.69Å; V456-L516 HydrophobicContact CG1-CD2 3.39Å
517	T	93.2	Very high	91.4	Very high	2 Å²	2	51 Å²	51	1%	0.012	24%	0.24	C	C	.	.			trans	-94	146.5	178.7	70.1	0	0	0	0	110.3	S457 M513 K515 I568 L569	S457-T517 WeakPolarHBondContact CB-O 3.38Å; M513-T517 WeakPolarHBondContact CE-OG1 3.17Å; K515-T517 PolarHBondContact O-N 2.89Å; K515-T517 VanDerWaalsContact O-N 3.14Å; T517-I568 WeakPolarHBondContact CB-O 3.47Å; T517-I568 WeakPolarHBondContact CG2-O 3.49Å; T517-L569 CarbonylContact C-O 3.57Å; T517-L569 WeakPolarHBondContact CA-O 3.33Å
518	R	97.1	Very high	90	Very high	52 Å²	52	57 Å²	57	20%	0.196	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-100.6	102	175.5	-65.2	-178.6	75.4	141.5	-3.7	109.2	V220 R268 D269 L569 D570	V220-R518 VanDerWaalsContact CG1-NH1 3.31Å; R268-R518 PolarHBondContact O-NH1 3.17Å; D269-R518 IonicContact OD1-CZ 2.64Å; D269-R518 IonicContact OD1-NH1 3.15Å; D269-R518 PolarHBondContact OD1-NH1 2.89Å; D269-R518 IonicContact OD1-NH2 3.1Å; D269-R518 PolarHBondContact OD1-NH2 3.17Å; D269-R518 IonicContact OD2-NH2 2.79Å; R518-L569 PolarHBondContact N-O 3.49Å; R518-D570 HydrophobicContact CB-CB 4.42Å; R518-D570 VanDerWaalsContact CB-OD1 3.26Å; R518-D570 WeakPolarHBondContact CB-OD1 3.48Å
519	A	97.6	Very high	88.8	Confident	5 Å²	5	53 Å²	53	4%	0.041	25%	0.253	C	S	.	.			trans	-73.3	148.2	170.8	0	0	0	0	0	110.4	S457 S459 L468 S470 V534 A535	S457-A519 PolarHBondContact OG-N 3.18Å; S459-A519 WeakPolarHBondContact CB-O 3.41Å; L468-A519 HydrophobicContact CD2-CB 3.76Å; S470-A519 WeakPolarHBondContact OG-CB 3.29Å; A519-V534 CarbonylContact C-O 3.35Å; A519-V534 VanDerWaalsContact CA-O 3.3Å; A519-V534 WeakPolarHBondContact CA-O 3.36Å; A519-A535 HydrophobicContact CB-CB 3.62Å
520	K	97.5	Very high	88.4	Confident	74 Å²	74	54.2 Å²	54.2	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.2	-178.6	-159	77.7	174.9	-174.3	0	111.6	F522 A533 V534 V571 P573	K520-F522 HydrophobicContact CB-CD1 4.49Å; K520-F522 HydrophobicContact CG-CD1 4.31Å; K520-A533 CarbonylContact O-C 3.44Å; K520-A533 WeakPolarHBondContact O-CA 3.46Å; K520-V534 PolarHBondContact N-O 2.87Å; K520-V534 PolarHBondContact O-N 2.93Å; K520-V571 HydrophobicContact CB-CB 4.16Å; K520-V571 HydrophobicContact CB-CG1 4.15Å; K520-P573 HydrophobicContact CG-CG 4.06Å
521	L	96.6	Very high	88.5	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.6	171.1	-170.8	68.2	0	0	0	108.6	S459 L468 L484 L531 I532 A533	S459-L521 PolarHBondContact OG-N 2.93Å; L468-L521 HydrophobicContact CB-CB 4.03Å; L468-L521 HydrophobicContact CB-CD1 4.48Å; L468-L521 HydrophobicContact CB-CD2 4.3Å; L484-L521 HydrophobicContact CD1-CD1 3.91Å; L484-L521 HydrophobicContact CD1-CD2 4.05Å; L521-L531 HydrophobicContact CD1-CD1 4.26Å; L521-L531 HydrophobicContact CD1-CD2 3.61Å; L521-L531 HydrophobicContact CD1-CG 3.73Å; L521-L531 HydrophobicContact CD2-CD2 4.04Å; L521-L531 HydrophobicContact CG-CD1 4.09Å; L521-L531 HydrophobicContact CG-CD2 3.93Å; L521-L531 HydrophobicContact CG-CG 4.09Å; L521-I532 WeakPolarHBondContact CA-O 3.49Å; L521-A533 HydrophobicContact CD1-CB 4.19Å
522	F	95	Very high	88.6	Confident	17 Å²	17	50.7 Å²	50.7	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	161.9	-179	62.8	-83	0	0	0	112.8	K520 G524 L531 I532 V534 P573 L584	K520-F522 HydrophobicContact CB-CD1 4.49Å; K520-F522 HydrophobicContact CG-CD1 4.31Å; F522-G524 PolarHBondContact O-N 2.88Å; F522-L531 WeakPolarHBondContact O-CD1 3.43Å; F522-I532 HydrophobicContact CE1-CB 4.45Å; F522-I532 HydrophobicContact CE1-CG2 4.16Å; F522-I532 HydrophobicContact CE2-CB 4.27Å; F522-I532 HydrophobicContact CE2-CG2 4.46Å; F522-I532 HydrophobicContact CZ-CB 4.14Å; F522-I532 HydrophobicContact CZ-CG2 3.87Å; F522-I532 PolarHBondContact N-O 3.18Å; F522-I532 PolarHBondContact O-N 2.93Å; F522-V534 HydrophobicContact CE1-CB 4.24Å; F522-V534 HydrophobicContact CE1-CG2 3.58Å; F522-V534 HydrophobicContact CZ-CG2 3.89Å; F522-P573 HydrophobicContact CB-CB 4.3Å; F522-P573 HydrophobicContact CB-CG 3.77Å; F522-P573 HydrophobicContact CD1-CB 3.92Å; F522-P573 HydrophobicContact CD1-CG 3.69Å; F522-P573 HydrophobicContact CD2-CB 3.69Å; F522-P573 HydrophobicContact CD2-CG 4.11Å; F522-P573 HydrophobicContact CE1-CB 4.11Å; F522-P573 HydrophobicContact CE1-CG 4.27Å; F522-P573 HydrophobicContact CE2-CB 3.93Å; F522-P573 HydrophobicContact CG-CB 3.71Å; F522-P573 HydrophobicContact CG-CG 3.59Å; F522-P573 HydrophobicContact CZ-CB 4.13Å; F522-L584 HydrophobicContact CE1-CD1 4.16Å; F522-L584 HydrophobicContact CZ-CD1 4.05Å
523	V	92.6	Very high	88.9	Confident	96 Å²	96	44.8 Å²	44.8	58%	0.582	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	125	175.1	-176.1	0	0	0	0	109.3	L461	L461-V523 HydrophobicContact CD1-CG2 3.79Å
524	G	89.2	Confident	89.2	Confident	6 Å²	6	44 Å²	44	6%	0.062	22%	0.219	C	C	.	.			trans	-71.2	171.8	-178	0	0	0	0	0	114.1	F522 S526 S529 G530	F522-G524 PolarHBondContact O-N 2.88Å; G524-S526 VanDerWaalsContact C-N 3.34Å; G524-S526 PolarHBondContact O-N 2.78Å; G524-S529 VanDerWaalsContact CA-OG 3.3Å; G524-S529 WeakPolarHBondContact CA-OG 3.35Å; G524-G530 PolarHBondContact N-O 3.01Å
525	P	86.7	Confident	89.6	Confident	26 Å²	26	38.1 Å²	38.1	17%	0.169	19%	0.194	C	C	.	.	S	Bend	trans	-72.1	-19.7	-172.9	26.2	-33	0	0	0	115.6	S529 H582 W597	P525-S529 WeakPolarHBondContact CD-OG 3.07Å; P525-H582 WeakPolarHBondContact CA-NE2 3.39Å; P525-H582 HydrophobicContact CB-CB 3.96Å; P525-H582 VanDerWaalsContact CB-CD2 3.45Å; P525-H582 WeakPolarHBondContact CB-CD2 3.19Å; P525-W597 HydrophobicContact CB-CB 4.31Å; P525-W597 HydrophobicContact CB-CD2 3.92Å; P525-W597 HydrophobicContact CB-CG 3.7Å; P525-W597 HydrophobicContact CG-CB 4.43Å; P525-W597 HydrophobicContact CG-CD2 3.27Å; P525-W597 HydrophobicContact CG-CE3 3.67Å; P525-W597 HydrophobicContact CG-CG 3.63Å; P525-W597 HydrophobicContact CG-CH2 3.99Å; P525-W597 HydrophobicContact CG-CZ2 3.65Å; P525-W597 HydrophobicContact CG-CZ3 4Å
526	S	79.4	Confident	89.9	Confident	22 Å²	22	35.2 Å²	35.2	15%	0.154	18%	0.182	C	C	.	.	S	Bend	trans	-129.4	157.2	178.6	75.8	0	0	0	0	111.3	G524 E528 S529 G530	G524-S526 VanDerWaalsContact C-N 3.34Å; G524-S526 PolarHBondContact O-N 2.78Å; S526-E528 PolarHBondContact O-N 2.74Å; S526-S529 PolarHBondContact N-OG 2.81Å; S526-S529 PolarHBondContact O-N 2.86Å; S526-S529 PolarHBondContact O-OG 2.92Å; S526-S529 PolarHBondContact OG-N 2.76Å; S526-S529 VanDerWaalsContact OG-N 3.08Å; S526-G530 PolarHBondContact O-N 3.19Å
527	K	72.2	Confident	90.2	Very high	212 Å²	212	34.1 Å²	34.1	92%	0.922	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.4	173.4	-71.9	-174.4	178.2	-179.2	0	112	G530	K527-G530 PolarHBondContact O-N 2.98Å
528	E	68.2	Low	90.3	Very high	129 Å²	129	34.2 Å²	34.2	60%	0.603	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-32.4	178.2	-61.3	-173.7	172.8	0	0	113.1	S526 G530	S526-E528 PolarHBondContact O-N 2.74Å; E528-G530 PolarHBondContact O-N 2.65Å
529	S	70.7	Confident	90.1	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.028	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.8	174.5	72.1	0	0	0	0	112.3	G524 P525 S526 L531	G524-S529 VanDerWaalsContact CA-OG 3.3Å; G524-S529 WeakPolarHBondContact CA-OG 3.35Å; P525-S529 WeakPolarHBondContact CD-OG 3.07Å; S526-S529 PolarHBondContact N-OG 2.81Å; S526-S529 PolarHBondContact O-N 2.86Å; S526-S529 PolarHBondContact O-OG 2.92Å; S526-S529 PolarHBondContact OG-N 2.76Å; S526-S529 VanDerWaalsContact OG-N 3.08Å; S529-L531 PolarHBondContact O-N 3.01Å
530	G	85.8	Confident	89.9	Confident	29 Å²	29	35.9 Å²	35.9	30%	0.299	19%	0.19	S	C	.	.			trans	55.6	-124.8	175.9	0	0	0	0	0	111.7	G524 S526 K527 E528	G524-G530 PolarHBondContact N-O 3.01Å; S526-G530 PolarHBondContact O-N 3.19Å; K527-G530 PolarHBondContact O-N 2.98Å; E528-G530 PolarHBondContact O-N 2.65Å
531	L	92.8	Very high	89.8	Confident	26 Å²	26	35.5 Å²	35.5	14%	0.136	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.9	173.9	-172.1	75.9	0	0	0	110	L461 Q466 L484 L521 F522 S529 C548	L461-L531 HydrophobicContact CD1-CD1 3.39Å; L461-L531 HydrophobicContact CG-CD1 4.41Å; Q466-L531 HydrophobicContact CB-CD2 4.46Å; L484-L531 HydrophobicContact CD1-CD2 4.39Å; L521-L531 HydrophobicContact CD1-CD1 4.26Å; L521-L531 HydrophobicContact CD1-CD2 3.61Å; L521-L531 HydrophobicContact CD1-CG 3.73Å; L521-L531 HydrophobicContact CD2-CD2 4.04Å; L521-L531 HydrophobicContact CG-CD1 4.09Å; L521-L531 HydrophobicContact CG-CD2 3.93Å; L521-L531 HydrophobicContact CG-CG 4.09Å; F522-L531 WeakPolarHBondContact O-CD1 3.43Å; S529-L531 PolarHBondContact O-N 3.01Å; L531-C548 HydrophobicContact CB-CB 3.84Å; L531-C548 HydrophobicContact CD2-CB 3.99Å; L531-C548 HydrophobicContact CG-CB 4.04Å; L531-C548 WeakPolarHBondContact O-CB 3.3Å; L531-C548 PolarHBondContact O-N 3.45Å; L531-C548 PolarHBondContact O-SG 2.85Å
532	I	95.2	Very high	89.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.1	-179.3	-62.4	-177.6	0	0	0	109.7	L521 F522 V534 I545 W546 M554	L521-I532 WeakPolarHBondContact CA-O 3.49Å; F522-I532 HydrophobicContact CE1-CB 4.45Å; F522-I532 HydrophobicContact CE1-CG2 4.16Å; F522-I532 HydrophobicContact CE2-CB 4.27Å; F522-I532 HydrophobicContact CE2-CG2 4.46Å; F522-I532 HydrophobicContact CZ-CB 4.14Å; F522-I532 HydrophobicContact CZ-CG2 3.87Å; F522-I532 PolarHBondContact N-O 3.18Å; F522-I532 PolarHBondContact O-N 2.93Å; I532-V534 HydrophobicContact CG2-CG2 3.86Å; I532-I545 HydrophobicContact CG2-CG2 3.51Å; I532-W546 WeakPolarHBondContact CA-O 3.48Å; I532-W546 WeakPolarHBondContact CG2-O 3.37Å; I532-M554 HydrophobicContact CD1-SD 4.29Å; I532-M554 HydrophobicContact CG1-SD 4.33Å
533	A	97.4	Very high	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.1	166	0	0	0	0	0	109.6	L468 L507 K520 L521 W546 C548	L468-A533 HydrophobicContact CD1-CB 4.21Å; L468-A533 HydrophobicContact CD2-CB 3.95Å; L507-A533 HydrophobicContact CD1-CB 3.59Å; K520-A533 CarbonylContact O-C 3.44Å; K520-A533 WeakPolarHBondContact O-CA 3.46Å; L521-A533 HydrophobicContact CD1-CB 4.19Å; A533-W546 HydrophobicContact CB-CE3 4.33Å; A533-W546 PolarHBondContact N-O 2.85Å; A533-W546 PolarHBondContact O-N 3.19Å; A533-C548 PolarHBondContact N-SG 2.9Å
534	V	98	Very high	90.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.4	174.5	-179.3	0	0	0	0	109.8	A519 K520 F522 I532 A543 L544 I545 V571 L584 L586	A519-V534 CarbonylContact C-O 3.35Å; A519-V534 VanDerWaalsContact CA-O 3.3Å; A519-V534 WeakPolarHBondContact CA-O 3.36Å; K520-V534 PolarHBondContact N-O 2.87Å; K520-V534 PolarHBondContact O-N 2.93Å; F522-V534 HydrophobicContact CE1-CB 4.24Å; F522-V534 HydrophobicContact CE1-CG2 3.58Å; F522-V534 HydrophobicContact CZ-CG2 3.89Å; I532-V534 HydrophobicContact CG2-CG2 3.86Å; V534-A543 HydrophobicContact CG1-CB 4.25Å; V534-L544 VanDerWaalsContact CA-O 3.31Å; V534-L544 WeakPolarHBondContact CA-O 3.47Å; V534-I545 HydrophobicContact CG1-CG1 4.4Å; V534-I545 HydrophobicContact CG2-CB 4.32Å; V534-I545 HydrophobicContact CG2-CD1 4.42Å; V534-I545 HydrophobicContact CG2-CG1 3.96Å; V534-I545 HydrophobicContact CG2-CG2 4.08Å; V534-V571 HydrophobicContact CB-CG1 3.96Å; V534-V571 HydrophobicContact CG1-CG1 3.75Å; V534-V571 HydrophobicContact CG1-CG2 4.17Å; V534-L584 HydrophobicContact CG1-CD2 4.13Å; V534-L584 HydrophobicContact CG2-CD1 4.43Å; V534-L584 HydrophobicContact CG2-CD2 4.14Å; V534-L586 HydrophobicContact CG1-CD2 4.46Å
535	A	97.6	Very high	90.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.8	175.7	0	0	0	0	0	112.3	H482 A519 A543 L544 W546	H482-A535 WeakPolarHBondContact CE1-CB 3.32Å; H482-A535 WeakPolarHBondContact NE2-CB 3.47Å; A519-A535 HydrophobicContact CB-CB 3.62Å; A535-A543 CarbonylContact O-C 3.55Å; A535-A543 VanDerWaalsContact O-CA 3.22Å; A535-A543 WeakPolarHBondContact O-CA 3.47Å; A535-A543 WeakPolarHBondContact O-CB 3.38Å; A535-L544 PolarHBondContact N-O 2.79Å; A535-L544 VanDerWaalsContact N-O 3.1Å; A535-L544 PolarHBondContact O-N 3.13Å; A535-W546 HydrophobicContact CB-CH2 4.08Å; A535-W546 HydrophobicContact CB-CZ3 3.73Å
536	G	96.3	Very high	90.9	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	139.1	167.7	0	0	0	0	0	111.7	G542	G536-G542 CarbonylContact C-O 3.52Å; G536-G542 WeakPolarHBondContact CA-O 3.21Å
537	N	95.6	Very high	91.6	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.059	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.8	177.6	178.6	-28.9	0	0	0	109.8	G510 D539 V540 N541 G542 L544	G510-N537 PolarHBondContact N-ND2 2.8Å; N537-D539 VanDerWaalsContact C-N 3.33Å; N537-D539 PolarHBondContact O-N 2.67Å; N537-D539 WeakPolarHBondContact OD1-CB 3.27Å; N537-D539 PolarHBondContact OD1-N 3.23Å; N537-V540 HydrophobicContact CB-CG2 3.77Å; N537-V540 PolarHBondContact OD1-N 3.33Å; N537-N541 PolarHBondContact O-N 3.35Å; N537-G542 PolarHBondContact N-O 3.49Å; N537-G542 PolarHBondContact O-N 3.02Å; N537-L544 HydrophobicContact CB-CD1 4.14Å; N537-L544 HydrophobicContact CB-CG 3.95Å; N537-L544 WeakPolarHBondContact ND2-CD1 3.41Å
538	E	94.4	Very high	92.6	Very high	4 Å²	4	20 Å²	20	2%	0.019	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.6	-176.6	-55.2	-170.4	172.7	0	0	113.1	R512 M513 K514 K515 N541 P567	R512-E538 HydrophobicContact CB-CB 4.39Å; M513-E538 WeakPolarHBondContact CA-OE1 3.22Å; K514-E538 PolarHBondContact N-OE1 2.94Å; K514-E538 PolarHBondContact N-OE2 2.95Å; K515-E538 PolarHBondContact N-OE1 2.85Å; K515-E538 VanDerWaalsContact N-OE1 3.13Å; E538-N541 PolarHBondContact O-N 3.27Å; E538-N541 PolarHBondContact O-OD1 3.16Å; E538-P567 HydrophobicContact CG-CB 3.83Å; E538-P567 HydrophobicContact CG-CG 4.47Å
539	D	92.6	Very high	93.7	Very high	53 Å²	53	17.8 Å²	17.8	28%	0.283	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-32.5	-178.2	-69.8	-14.2	0	0	0	112.7	G510 N511 R512 N537	G510-D539 VanDerWaalsContact C-OD2 3.3Å; G510-D539 WeakPolarHBondContact CA-OD2 3.25Å; N511-D539 PolarHBondContact N-OD2 2.87Å; N511-D539 PolarHBondContact OD1-OD1 3.4Å; N511-D539 PolarHBondContact OD1-OD2 2.96Å; R512-D539 IonicContact CZ-OD1 2.8Å; R512-D539 VanDerWaalsContact CZ-OD1 3.22Å; R512-D539 IonicContact NE-OD1 3.68Å; R512-D539 PolarHBondContact NE-OD1 2.77Å; R512-D539 IonicContact NH2-OD1 3.85Å; R512-D539 PolarHBondContact NH2-OD1 2.79Å; N537-D539 VanDerWaalsContact C-N 3.33Å; N537-D539 PolarHBondContact O-N 2.67Å; N537-D539 WeakPolarHBondContact OD1-CB 3.27Å; N537-D539 PolarHBondContact OD1-N 3.23Å
540	V	93.9	Very high	94.7	Very high	39 Å²	39	20.9 Å²	20.9	24%	0.236	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2.6	175.6	-57.4	0	0	0	0	112.6	N537 G542 L544 V556 Q558	N537-V540 HydrophobicContact CB-CG2 3.77Å; N537-V540 PolarHBondContact OD1-N 3.33Å; V540-G542 VanDerWaalsContact C-N 3.34Å; V540-G542 PolarHBondContact O-N 2.78Å; V540-L544 HydrophobicContact CG1-CD2 4.5Å; V540-L544 HydrophobicContact CG2-CD2 4.14Å; V540-V556 HydrophobicContact CB-CG1 4.01Å; V540-V556 HydrophobicContact CG1-CG1 4.35Å; V540-V556 HydrophobicContact CG2-CG1 3.99Å; V540-Q558 PolarHBondContact O-NE2 2.59Å
541	N	94.9	Very high	95	Very high	65 Å²	65	20.6 Å²	20.6	35%	0.348	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	48.9	-173.1	-64.4	-43.8	0	0	0	112.4	N537 E538 T562 T563 A564	N537-N541 PolarHBondContact O-N 3.35Å; E538-N541 PolarHBondContact O-N 3.27Å; E538-N541 PolarHBondContact O-OD1 3.16Å; N541-T562 VanDerWaalsContact O-CB 3.24Å; N541-T562 WeakPolarHBondContact O-CB 3.22Å; N541-T562 PolarHBondContact O-OG1 2.82Å; N541-T563 WeakPolarHBondContact OD1-CA 3.27Å; N541-A564 PolarHBondContact OD1-N 2.94Å
542	G	96.1	Very high	95	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-138.9	-171.8	0	0	0	0	0	114.3	G536 N537 V540 L557 I568	G536-G542 CarbonylContact C-O 3.52Å; G536-G542 WeakPolarHBondContact CA-O 3.21Å; N537-G542 PolarHBondContact N-O 3.49Å; N537-G542 PolarHBondContact O-N 3.02Å; V540-G542 VanDerWaalsContact C-N 3.34Å; V540-G542 PolarHBondContact O-N 2.78Å; G542-L557 CarbonylContact C-O 3.58Å; G542-L557 WeakPolarHBondContact CA-O 3.2Å; G542-I568 WeakPolarHBondContact O-CG1 3.5Å
543	A	97.6	Very high	95	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.6	178.5	0	0	0	0	0	111.8	V534 A535 L557 L586	V534-A543 HydrophobicContact CG1-CB 4.25Å; A535-A543 CarbonylContact O-C 3.55Å; A535-A543 VanDerWaalsContact O-CA 3.22Å; A535-A543 WeakPolarHBondContact O-CA 3.47Å; A535-A543 WeakPolarHBondContact O-CB 3.38Å; A543-L557 HydrophobicContact CB-CB 4.37Å; A543-L557 PolarHBondContact N-O 2.85Å; A543-L557 PolarHBondContact O-N 3.38Å; A543-L586 HydrophobicContact CB-CD1 3.87Å; A543-L586 HydrophobicContact CB-CD2 4.1Å
544	L	97.6	Very high	94.7	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.3	173.9	-62.8	-177.2	0	0	0	109.7	A509 V534 A535 N537 V540 W546 V556	A509-L544 HydrophobicContact CB-CD1 4.09Å; V534-L544 VanDerWaalsContact CA-O 3.31Å; V534-L544 WeakPolarHBondContact CA-O 3.47Å; A535-L544 PolarHBondContact N-O 2.79Å; A535-L544 VanDerWaalsContact N-O 3.1Å; A535-L544 PolarHBondContact O-N 3.13Å; N537-L544 HydrophobicContact CB-CD1 4.14Å; N537-L544 HydrophobicContact CB-CG 3.95Å; N537-L544 WeakPolarHBondContact ND2-CD1 3.41Å; V540-L544 HydrophobicContact CG1-CD2 4.5Å; V540-L544 HydrophobicContact CG2-CD2 4.14Å; L544-W546 HydrophobicContact CB-CD2 4.38Å; L544-W546 HydrophobicContact CB-CE3 4.28Å; L544-W546 HydrophobicContact CB-CH2 3.38Å; L544-W546 HydrophobicContact CB-CZ2 3.46Å; L544-W546 VanDerWaalsContact CB-CZ2 3.46Å; L544-W546 HydrophobicContact CB-CZ3 3.8Å; L544-W546 HydrophobicContact CD1-CH2 3.81Å; L544-W546 HydrophobicContact CD1-CZ2 3.36Å; L544-W546 HydrophobicContact CG-CH2 4.17Å; L544-W546 HydrophobicContact CG-CZ2 4.06Å; L544-W546 WeakPolarHBondContact O-CZ3 3.31Å; L544-V556 HydrophobicContact CD2-CB 4.24Å; L544-V556 HydrophobicContact CD2-CG1 4Å; L544-V556 HydrophobicContact CD2-CG2 3.7Å
545	I	97	Very high	94.6	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.9	176.4	-52.1	-167.8	0	0	0	108.3	F204 I532 V534 Q553 M554 Q555 L557 L584	F204-I545 HydrophobicContact CB-CD1 4.32Å; F204-I545 HydrophobicContact CD2-CD1 3.51Å; F204-I545 HydrophobicContact CE2-CD1 4.23Å; F204-I545 HydrophobicContact CG-CD1 4.25Å; I532-I545 HydrophobicContact CG2-CG2 3.51Å; V534-I545 HydrophobicContact CG1-CG1 4.4Å; V534-I545 HydrophobicContact CG2-CB 4.32Å; V534-I545 HydrophobicContact CG2-CD1 4.42Å; V534-I545 HydrophobicContact CG2-CG1 3.96Å; V534-I545 HydrophobicContact CG2-CG2 4.08Å; I545-Q553 CarbonylContact O-C 3.55Å; I545-M554 HydrophobicContact CB-CB 4.48Å; I545-M554 HydrophobicContact CG2-CB 4.21Å; I545-M554 HydrophobicContact CG2-SD 4.19Å; I545-M554 PolarHBondContact O-N 2.9Å; I545-Q555 HydrophobicContact CB-CB 4.16Å; I545-Q555 HydrophobicContact CD1-CB 4.19Å; I545-Q555 HydrophobicContact CG1-CB 4.29Å; I545-Q555 PolarHBondContact N-O 2.83Å; I545-Q555 PolarHBondContact O-N 2.87Å; I545-L557 HydrophobicContact CD1-CD1 3.86Å; I545-L557 HydrophobicContact CD1-CD2 4.28Å; I545-L557 HydrophobicContact CD1-CG 4Å; I545-L557 HydrophobicContact CG1-CD1 4.4Å; I545-L557 HydrophobicContact CG1-CG 4.32Å; I545-L584 HydrophobicContact CD1-CD2 4.04Å
546	W	96.3	Very high	94.6	Very high	8 Å²	8	31.8 Å²	31.8	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.8	176.1	-58.7	-91.3	0	0	0	111.9	H482 L507 A509 I532 A533 A535 L544 T552	H482-W546 AromaticContact CD2-CH2 3.63Å; L507-W546 HydrophobicContact CB-CD2 4.01Å; L507-W546 HydrophobicContact CB-CE3 4.46Å; L507-W546 HydrophobicContact CB-CG 4.17Å; L507-W546 HydrophobicContact CB-CZ2 4.4Å; L507-W546 HydrophobicContact CD1-CB 3.92Å; L507-W546 HydrophobicContact CD1-CD2 4.16Å; L507-W546 HydrophobicContact CD1-CE3 4.21Å; L507-W546 HydrophobicContact CD1-CG 4.06Å; L507-W546 HydrophobicContact CD2-CB 4.01Å; L507-W546 HydrophobicContact CD2-CG 4.03Å; L507-W546 HydrophobicContact CG-CB 4.47Å; L507-W546 HydrophobicContact CG-CG 4.32Å; A509-W546 HydrophobicContact CB-CH2 4.29Å; A509-W546 HydrophobicContact CB-CZ2 4.36Å; I532-W546 WeakPolarHBondContact CA-O 3.48Å; I532-W546 WeakPolarHBondContact CG2-O 3.37Å; A533-W546 HydrophobicContact CB-CE3 4.33Å; A533-W546 PolarHBondContact N-O 2.85Å; A533-W546 PolarHBondContact O-N 3.19Å; A535-W546 HydrophobicContact CB-CH2 4.08Å; A535-W546 HydrophobicContact CB-CZ3 3.73Å; L544-W546 HydrophobicContact CB-CD2 4.38Å; L544-W546 HydrophobicContact CB-CE3 4.28Å; L544-W546 HydrophobicContact CB-CH2 3.38Å; L544-W546 HydrophobicContact CB-CZ2 3.46Å; L544-W546 VanDerWaalsContact CB-CZ2 3.46Å; L544-W546 HydrophobicContact CB-CZ3 3.8Å; L544-W546 HydrophobicContact CD1-CH2 3.81Å; L544-W546 HydrophobicContact CD1-CZ2 3.36Å; L544-W546 HydrophobicContact CG-CH2 4.17Å; L544-W546 HydrophobicContact CG-CZ2 4.06Å; L544-W546 WeakPolarHBondContact O-CZ3 3.31Å; W546-T552 CarbonylContact C-O 3.59Å; W546-T552 VanDerWaalsContact CA-O 3.23Å; W546-T552 WeakPolarHBondContact CA-O 3.39Å
547	R	93.9	Very high	94.6	Very high	33 Å²	33	31.8 Å²	31.8	13%	0.125	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.8	165.9	-168.1	-167.4	-73.6	146	-14.8	108.3	S549 D550 G551 T552 M554	R547-S549 WeakPolarHBondContact CD-OG 3.39Å; R547-S549 WeakPolarHBondContact CG-OG 3.35Å; R547-D550 IonicContact CZ-OD2 3.79Å; R547-D550 IonicContact NH1-OD2 3.49Å; R547-D550 PolarHBondContact NH1-OD2 2.91Å; R547-G551 CarbonylContact O-C 3.45Å; R547-G551 WeakPolarHBondContact O-CA 3.23Å; R547-G551 PolarHBondContact O-N 3.22Å; R547-T552 PolarHBondContact N-O 2.77Å; R547-T552 PolarHBondContact O-N 2.81Å; R547-M554 HydrophobicContact CB-CG 3.83Å; R547-M554 HydrophobicContact CB-SD 3.71Å; R547-M554 HydrophobicContact CG-SD 4.42Å
548	C	93.7	Very high	94.7	Very high	7 Å²	7	37.6 Å²	37.6	5%	0.047	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.3	-174.6	-67.1	0	0	0	0	113.9	L484 H505 L531 A533	L484-C548 HydrophobicContact CD2-CB 3.59Å; H505-C548 PolarHBondContact CD2-O 3.38Å; L531-C548 HydrophobicContact CB-CB 3.84Å; L531-C548 HydrophobicContact CD2-CB 3.99Å; L531-C548 HydrophobicContact CG-CB 4.04Å; L531-C548 WeakPolarHBondContact O-CB 3.3Å; L531-C548 PolarHBondContact O-N 3.45Å; L531-C548 PolarHBondContact O-SG 2.85Å; A533-C548 PolarHBondContact N-SG 2.9Å
549	S	90.9	Very high	94.7	Very high	84 Å²	84	37.8 Å²	37.8	59%	0.587	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-40.8	178.7	54	0	0	0	0	112.1	H505 R547	H505-S549 PolarHBondContact NE2-O 3.32Å; R547-S549 WeakPolarHBondContact CD-OG 3.39Å; R547-S549 WeakPolarHBondContact CG-OG 3.35Å
550	D	90.9	Very high	94.7	Very high	68 Å²	68	37.9 Å²	37.9	36%	0.364	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-5.5	-176.6	57.8	19	0	0	0	113.7	R547 T552	R547-D550 IonicContact CZ-OD2 3.79Å; R547-D550 IonicContact NH1-OD2 3.49Å; R547-D550 PolarHBondContact NH1-OD2 2.91Å; D550-T552 HydrophobicContact CB-CG2 4.17Å; D550-T552 VanDerWaalsContact CG-CG2 3.49Å; D550-T552 VanDerWaalsContact CG-OG1 3.27Å; D550-T552 PolarHBondContact O-N 3.06Å; D550-T552 WeakPolarHBondContact OD1-CB 3.41Å; D550-T552 WeakPolarHBondContact OD1-CG2 3.39Å; D550-T552 PolarHBondContact OD1-N 3.47Å; D550-T552 PolarHBondContact OD1-OG1 2.89Å; D550-T552 PolarHBondContact OD2-OG1 2.85Å
551	G	92.4	Very high	94.4	Very high	23 Å²	23	42.6 Å²	42.6	24%	0.237	23%	0.231	C	C	.	.			trans	74.9	9.4	-179.7	0	0	0	0	0	114	R547	R547-G551 CarbonylContact O-C 3.45Å; R547-G551 WeakPolarHBondContact O-CA 3.23Å; R547-G551 PolarHBondContact O-N 3.22Å
552	T	92.8	Very high	94.1	Very high	46 Å²	46	40.1 Å²	40.1	28%	0.282	22%	0.218	S	C	.	.			trans	-75	141.1	-176.6	60	0	0	0	0	111.6	W546 R547 D550 M554	W546-T552 CarbonylContact C-O 3.59Å; W546-T552 VanDerWaalsContact CA-O 3.23Å; W546-T552 WeakPolarHBondContact CA-O 3.39Å; R547-T552 PolarHBondContact N-O 2.77Å; R547-T552 PolarHBondContact O-N 2.81Å; D550-T552 HydrophobicContact CB-CG2 4.17Å; D550-T552 VanDerWaalsContact CG-CG2 3.49Å; D550-T552 VanDerWaalsContact CG-OG1 3.27Å; D550-T552 PolarHBondContact O-N 3.06Å; D550-T552 WeakPolarHBondContact OD1-CB 3.41Å; D550-T552 WeakPolarHBondContact OD1-CG2 3.39Å; D550-T552 PolarHBondContact OD1-N 3.47Å; D550-T552 PolarHBondContact OD1-OG1 2.89Å; D550-T552 PolarHBondContact OD2-OG1 2.85Å; T552-M554 PolarHBondContact O-N 2.88Å
553	Q	94.7	Very high	93.8	Very high	96 Å²	96	43 Å²	43	45%	0.449	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.2	170.6	-173.6	-174.1	-76.5	0	0	108.9	I545 V556	I545-Q553 CarbonylContact O-C 3.55Å; Q553-V556 VanDerWaalsContact NE2-CG2 3.34Å
554	M	92.7	Very high	93.2	Very high	27 Å²	27	44 Å²	44	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-43.4	-178.7	-59.3	179.2	60.4	0	0	112.3	F200 I532 I545 R547 T552 W597	F200-M554 HydrophobicContact CD1-CB 4.41Å; F200-M554 HydrophobicContact CD1-CE 3.73Å; F200-M554 HydrophobicContact CD1-CG 4.06Å; F200-M554 HydrophobicContact CE1-CB 4.11Å; F200-M554 HydrophobicContact CE1-CE 4.2Å; F200-M554 HydrophobicContact CE1-CG 3.57Å; F200-M554 HydrophobicContact CE1-SD 4.48Å; F200-M554 HydrophobicContact CE2-CB 4.37Å; F200-M554 HydrophobicContact CG-CE 4.35Å; F200-M554 HydrophobicContact CZ-CB 4.1Å; F200-M554 HydrophobicContact CZ-CG 3.91Å; I532-M554 HydrophobicContact CD1-SD 4.29Å; I532-M554 HydrophobicContact CG1-SD 4.33Å; I545-M554 HydrophobicContact CB-CB 4.48Å; I545-M554 HydrophobicContact CG2-CB 4.21Å; I545-M554 HydrophobicContact CG2-SD 4.19Å; I545-M554 PolarHBondContact O-N 2.9Å; R547-M554 HydrophobicContact CB-CG 3.83Å; R547-M554 HydrophobicContact CB-SD 3.71Å; R547-M554 HydrophobicContact CG-SD 4.42Å; T552-M554 PolarHBondContact O-N 2.88Å; M554-W597 HydrophobicContact CE-CH2 4.24Å
555	Q	95	Very high	92.7	Very high	35 Å²	35	49 Å²	49	16%	0.164	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.5	-168.9	-164	178.3	2.7	0	0	111.5	F204 I545 L557	F204-Q555 PolarHBondContact O-NE2 2.88Å; I545-Q555 HydrophobicContact CB-CB 4.16Å; I545-Q555 HydrophobicContact CD1-CB 4.19Å; I545-Q555 HydrophobicContact CG1-CB 4.29Å; I545-Q555 PolarHBondContact N-O 2.83Å; I545-Q555 PolarHBondContact O-N 2.87Å; Q555-L557 VanDerWaalsContact CD-CD2 3.46Å; Q555-L557 HydrophobicContact CG-CD2 3.95Å; Q555-L557 VanDerWaalsContact NE2-CD2 3.32Å
556	V	97	Very high	92.5	Very high	57 Å²	57	50 Å²	50	35%	0.345	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.2	165.8	-174.3	0	0	0	0	108	V540 L544 Q553 Q558	V540-V556 HydrophobicContact CB-CG1 4.01Å; V540-V556 HydrophobicContact CG1-CG1 4.35Å; V540-V556 HydrophobicContact CG2-CG1 3.99Å; L544-V556 HydrophobicContact CD2-CB 4.24Å; L544-V556 HydrophobicContact CD2-CG1 4Å; L544-V556 HydrophobicContact CD2-CG2 3.7Å; Q553-V556 VanDerWaalsContact NE2-CG2 3.34Å; V556-Q558 HydrophobicContact CG1-CG 4.17Å
557	L	97.5	Very high	92.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.7	174.1	-57.6	-173.6	0	0	0	109.2	F204 G542 A543 I545 Q555 L584 L586 Y595	F204-L557 HydrophobicContact CB-CD1 4.44Å; F204-L557 HydrophobicContact CB-CD2 4.13Å; G542-L557 CarbonylContact C-O 3.58Å; G542-L557 WeakPolarHBondContact CA-O 3.2Å; A543-L557 HydrophobicContact CB-CB 4.37Å; A543-L557 PolarHBondContact N-O 2.85Å; A543-L557 PolarHBondContact O-N 3.38Å; I545-L557 HydrophobicContact CD1-CD1 3.86Å; I545-L557 HydrophobicContact CD1-CD2 4.28Å; I545-L557 HydrophobicContact CD1-CG 4Å; I545-L557 HydrophobicContact CG1-CD1 4.4Å; I545-L557 HydrophobicContact CG1-CG 4.32Å; Q555-L557 VanDerWaalsContact CD-CD2 3.46Å; Q555-L557 HydrophobicContact CG-CD2 3.95Å; Q555-L557 VanDerWaalsContact NE2-CD2 3.32Å; L557-L584 HydrophobicContact CD1-CD2 3.79Å; L557-L586 HydrophobicContact CB-CD1 4.26Å; L557-L586 HydrophobicContact CD1-CD1 3.92Å; L557-Y595 HydrophobicContact CB-CE1 4.18Å; L557-Y595 HydrophobicContact CD1-CD1 3.96Å; L557-Y595 HydrophobicContact CD1-CD2 4.26Å; L557-Y595 HydrophobicContact CD1-CE1 4.12Å; L557-Y595 HydrophobicContact CD1-CE2 4.4Å; L557-Y595 HydrophobicContact CD1-CG 4.06Å; L557-Y595 HydrophobicContact CD2-CD1 3.87Å; L557-Y595 HydrophobicContact CD2-CE1 3.77Å; L557-Y595 HydrophobicContact CG-CD1 4.43Å; L557-Y595 HydrophobicContact CG-CE1 4.25Å
558	Q	95.9	Very high	92.6	Very high	133 Å²	133	48.4 Å²	48.4	62%	0.621	27%	0.273	S	S	*	.			trans	-122.7	87.1	176.6	-63.3	-175.7	-56.7	0	0	109.1	V540 V556	V540-Q558 PolarHBondContact O-NE2 2.59Å; V556-Q558 HydrophobicContact CG1-CG 4.17Å
559	P	95.2	Very high	92.8	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.052	27%	0.271	C	S	.	.			trans	-62.8	158	175.7	-16	29.4	0	0	0	111.3	T562 I568 L586 H593 Y595	P559-T562 HydrophobicContact CB-CG2 3.86Å; P559-T562 HydrophobicContact CG-CG2 3.96Å; P559-T562 PolarHBondContact O-OG1 2.97Å; P559-I568 HydrophobicContact CG-CD1 4.27Å; P559-L586 HydrophobicContact CG-CD1 3.84Å; P559-H593 HydrophobicContact CB-CB 4.16Å; P559-Y595 VanDerWaalsContact CA-OH 3.26Å; P559-Y595 WeakPolarHBondContact CA-OH 3.4Å; P559-Y595 HydrophobicContact CG-CE2 4.11Å; P559-Y595 WeakPolarHBondContact CG-OH 3.31Å
560	P	92.9	Very high	93.1	Very high	56 Å²	56	44.6 Å²	44.6	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	152.1	170.3	28	-33.9	0	0	0	110.5	L206 T209 T562 H593	L206-P560 HydrophobicContact CD2-CG 4.19Å; T209-P560 HydrophobicContact CG2-CG 4.45Å; P560-T562 PolarHBondContact O-N 3.29Å; P560-H593 PolarHBondContact O-CE1 2.83Å
561	E	86.9	Confident	93.5	Very high	138 Å²	138	41.4 Å²	41.4	65%	0.645	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	1.7	175.6	-55.5	176.5	-164.2	0	0	116.2
562	T	89.9	Confident	93.7	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.074	22%	0.22	C	C	.	.			trans	-74.8	132.1	169.4	45.8	0	0	0	0	110.1	N541 P559 P560 I568 T588	N541-T562 VanDerWaalsContact O-CB 3.24Å; N541-T562 WeakPolarHBondContact O-CB 3.22Å; N541-T562 PolarHBondContact O-OG1 2.82Å; P559-T562 HydrophobicContact CB-CG2 3.86Å; P559-T562 HydrophobicContact CG-CG2 3.96Å; P559-T562 PolarHBondContact O-OG1 2.97Å; P560-T562 PolarHBondContact O-N 3.29Å; T562-I568 HydrophobicContact CG2-CD1 3.61Å; T562-I568 HydrophobicContact CG2-CG1 4.5Å; T562-T588 HydrophobicContact CG2-CG2 3.53Å
563	T	90	Very high	93.9	Very high	63 Å²	63	39.8 Å²	39.8	39%	0.387	21%	0.214	S	C	.	.			trans	-141	171.6	178.2	64.2	0	0	0	0	108.9	N541 D565 S566	N541-T563 WeakPolarHBondContact OD1-CA 3.27Å; T563-D565 PolarHBondContact O-N 2.71Å; T563-D565 VanDerWaalsContact O-N 3.13Å; T563-D565 PolarHBondContact OG1-N 2.84Å; T563-S566 PolarHBondContact N-O 2.7Å; T563-S566 CarbonylContact O-C 3.54Å; T563-S566 PolarHBondContact O-N 3.39Å; T563-S566 VanDerWaalsContact O-N 3.15Å; T563-S566 PolarHBondContact OG1-N 2.83Å
564	A	84.2	Confident	93.9	Very high	21 Å²	21	35.5 Å²	35.5	17%	0.174	19%	0.194	C	C	.	.	S	Bend	trans	-58.3	-23.6	173.8	0	0	0	0	0	113.5	N541	N541-A564 PolarHBondContact OD1-N 2.94Å
565	D	87.4	Confident	93.9	Very high	109 Å²	109	37.5 Å²	37.5	58%	0.583	20%	0.203	S	C	*	.	S	Bend	trans	-95.3	-20.1	179.3	-59.8	-39.9	0	0	0	112.9	K514 K515 T563 P567	K514-D565 IonicContact NZ-OD1 3.93Å; K514-D565 PolarHBondContact NZ-OD1 3.29Å; K515-D565 PolarHBondContact NZ-O 3.46Å; T563-D565 PolarHBondContact O-N 2.71Å; T563-D565 VanDerWaalsContact O-N 3.13Å; T563-D565 PolarHBondContact OG1-N 2.84Å; D565-P567 WeakPolarHBondContact O-CD 3.35Å
566	S	92	Very high	93.6	Very high	23 Å²	23	36.6 Å²	36.6	16%	0.161	20%	0.198	C	C	.	.	S	Bend	trans	-119.3	66.2	168.6	-167.2	0	0	0	0	111.3	T563	T563-S566 PolarHBondContact N-O 2.7Å; T563-S566 CarbonylContact O-C 3.54Å; T563-S566 PolarHBondContact O-N 3.39Å; T563-S566 VanDerWaalsContact O-N 3.15Å; T563-S566 PolarHBondContact OG1-N 2.83Å
567	P	95.2	Very high	93	Very high	5 Å²	5	37 Å²	37	3%	0.032	21%	0.207	C	C	.	.			trans	-75.9	167.2	-178.5	33.9	-38.5	0	0	0	111.9	K515 E538 D565 L569	K515-P567 HydrophobicContact CB-CG 3.9Å; K515-P567 HydrophobicContact CD-CG 3.99Å; K515-P567 HydrophobicContact CG-CG 4.11Å; E538-P567 HydrophobicContact CG-CB 3.83Å; E538-P567 HydrophobicContact CG-CG 4.47Å; D565-P567 WeakPolarHBondContact O-CD 3.35Å; P567-L569 HydrophobicContact CG-CD2 4.29Å; P567-L569 PolarHBondContact O-N 3.34Å
568	I	97.5	Very high	92.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	25%	0.245	C	C	.	.			trans	-66.3	118.1	170.8	-57.2	-51.3	0	0	0	109.7	T517 G542 P559 T562 V571 L586 L587 T588	T517-I568 WeakPolarHBondContact CB-O 3.47Å; T517-I568 WeakPolarHBondContact CG2-O 3.49Å; G542-I568 WeakPolarHBondContact O-CG1 3.5Å; P559-I568 HydrophobicContact CG-CD1 4.27Å; T562-I568 HydrophobicContact CG2-CD1 3.61Å; T562-I568 HydrophobicContact CG2-CG1 4.5Å; I568-V571 HydrophobicContact CG2-CG2 4.04Å; I568-L586 HydrophobicContact CD1-CB 3.92Å; I568-L586 HydrophobicContact CG1-CB 4.5Å; I568-L586 HydrophobicContact CG2-CB 4.2Å; I568-L586 HydrophobicContact CG2-CD2 4.37Å; I568-L587 CarbonylContact C-O 3.55Å; I568-L587 WeakPolarHBondContact CA-O 3.41Å; I568-T588 HydrophobicContact CD1-CG2 3.7Å
569	L	97.2	Very high	91.9	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	24%	0.242	C	C	.	.			trans	-91.7	-36	-177.3	-58.3	-179.2	0	0	0	112.7	C218 K515 T517 R518 P567 L587 D589	C218-L569 WeakPolarHBondContact O-CD1 3.31Å; K515-L569 HydrophobicContact CB-CD2 3.78Å; K515-L569 HydrophobicContact CD-CD2 3.76Å; K515-L569 HydrophobicContact CG-CD2 4.4Å; T517-L569 CarbonylContact C-O 3.57Å; T517-L569 WeakPolarHBondContact CA-O 3.33Å; R518-L569 PolarHBondContact N-O 3.49Å; P567-L569 HydrophobicContact CG-CD2 4.29Å; P567-L569 PolarHBondContact O-N 3.34Å; L569-L587 PolarHBondContact N-O 2.99Å; L569-D589 HydrophobicContact CD1-CB 4.23Å
570	D	98.2	Very high	91.5	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.8	-178.4	-158.2	0.6	0	0	0	111.5	V220 M221 R518 L587	V220-D570 VanDerWaalsContact CA-OD2 3.24Å; V220-D570 WeakPolarHBondContact CA-OD2 3.44Å; M221-D570 HydrophobicContact CE-CB 4.05Å; M221-D570 VanDerWaalsContact CE-O 3.3Å; M221-D570 WeakPolarHBondContact CE-O 3.16Å; M221-D570 PolarHBondContact N-OD2 3.14Å; R518-D570 HydrophobicContact CB-CB 4.42Å; R518-D570 VanDerWaalsContact CB-OD1 3.26Å; R518-D570 WeakPolarHBondContact CB-OD1 3.48Å; D570-L587 HydrophobicContact CB-CB 4.31Å; D570-L587 HydrophobicContact CB-CD2 4.31Å; D570-L587 PolarHBondContact O-N 3.23Å
571	V	98.1	Very high	91.3	Very high	1 Å²	1	45 Å²	45	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.8	-178.2	-179.5	0	0	0	0	109	K520 V534 I568 L584 T585 L586	K520-V571 HydrophobicContact CB-CB 4.16Å; K520-V571 HydrophobicContact CB-CG1 4.15Å; V534-V571 HydrophobicContact CB-CG1 3.96Å; V534-V571 HydrophobicContact CG1-CG1 3.75Å; V534-V571 HydrophobicContact CG1-CG2 4.17Å; I568-V571 HydrophobicContact CG2-CG2 4.04Å; V571-L584 HydrophobicContact CG1-CD1 3.52Å; V571-L584 HydrophobicContact CG1-CG 4.41Å; V571-T585 WeakPolarHBondContact CA-O 3.38Å; V571-L586 HydrophobicContact CB-CD2 4.37Å; V571-L586 HydrophobicContact CG1-CD2 3.98Å; V571-L586 HydrophobicContact CG2-CD2 3.82Å
572	C	97.6	Very high	91.6	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	107.3	-179.6	-177.9	0	0	0	0	110.7	M221 L230 T585	M221-C572 HydrophobicContact CB-CB 3.85Å; M221-C572 HydrophobicContact CE-CB 3.66Å; M221-C572 HydrophobicContact SD-CB 4.18Å; L230-C572 HydrophobicContact CD1-CB 4.17Å; C572-T585 WeakPolarHBondContact CB-OG1 3.25Å; C572-T585 PolarHBondContact N-O 2.87Å; C572-T585 PolarHBondContact O-N 3.34Å; C572-T585 PolarHBondContact O-OG1 3.01Å
573	P	96.3	Very high	91.9	Very high	25 Å²	25	39.8 Å²	39.8	16%	0.162	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.8	170	32	-35	0	0	0	109.8	K520 F522 C583 L584	K520-P573 HydrophobicContact CG-CG 4.06Å; F522-P573 HydrophobicContact CB-CB 4.3Å; F522-P573 HydrophobicContact CB-CG 3.77Å; F522-P573 HydrophobicContact CD1-CB 3.92Å; F522-P573 HydrophobicContact CD1-CG 3.69Å; F522-P573 HydrophobicContact CD2-CB 3.69Å; F522-P573 HydrophobicContact CD2-CG 4.11Å; F522-P573 HydrophobicContact CE1-CB 4.11Å; F522-P573 HydrophobicContact CE1-CG 4.27Å; F522-P573 HydrophobicContact CE2-CB 3.93Å; F522-P573 HydrophobicContact CG-CB 3.71Å; F522-P573 HydrophobicContact CG-CG 3.59Å; F522-P573 HydrophobicContact CZ-CB 4.13Å; P573-C583 CarbonylContact C-O 3.58Å; P573-C583 WeakPolarHBondContact CA-O 3.25Å; P573-L584 HydrophobicContact CB-CD1 4.33Å
574	I	95	Very high	92.2	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.6	179.7	-57.3	167	0	0	0	107.6	L230 F576 C583 T585	L230-I574 HydrophobicContact CB-CD1 4.45Å; L230-I574 HydrophobicContact CD1-CD1 4.26Å; L230-I574 HydrophobicContact CD2-CD1 4.46Å; I574-F576 HydrophobicContact CB-CZ 4.5Å; I574-F576 HydrophobicContact CG2-CD1 4.08Å; I574-F576 HydrophobicContact CG2-CE1 3.62Å; I574-F576 HydrophobicContact CG2-CE2 4.32Å; I574-F576 HydrophobicContact CG2-CZ 3.75Å; I574-C583 HydrophobicContact CB-CB 4.26Å; I574-C583 PolarHBondContact N-O 2.85Å; I574-C583 PolarHBondContact O-N 2.77Å; I574-T585 HydrophobicContact CD1-CG2 3.72Å
575	F	92	Very high	92.9	Very high	69 Å²	69	35.8 Å²	35.8	30%	0.303	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.2	173.5	175.9	-112.7	0	0	0	110	A577 H582	F575-A577 HydrophobicContact CE1-CB 4.15Å; F575-A577 PolarHBondContact O-N 2.88Å; F575-H582 AromaticContact CD2-CD2 3.88Å; F575-H582 AromaticContact CD2-CE1 3.29Å; F575-H582 WeakPolarHBondContact CD2-CE1 3.37Å; F575-H582 AromaticContact CD2-ND1 3.67Å; F575-H582 AromaticContact CD2-NE2 3.41Å; F575-H582 WeakPolarHBondContact CD2-NE2 3.47Å; F575-H582 AromaticContact CE2-CE1 3.68Å; F575-H582 AromaticContact CE2-NE2 3.37Å; F575-H582 WeakPolarHBondContact CE2-NE2 3.43Å
576	F	89.5	Confident	93.4	Very high	16 Å²	16	30.6 Å²	30.6	7%	0.07	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	97.1	177.5	-60.9	-64.6	0	0	0	110	S251 I574 S578 T579 Q580 S581 C583 M596	S251-F576 VanDerWaalsContact O-CZ 3.3Å; S251-F576 WeakPolarHBondContact O-CZ 3.43Å; I574-F576 HydrophobicContact CB-CZ 4.5Å; I574-F576 HydrophobicContact CG2-CD1 4.08Å; I574-F576 HydrophobicContact CG2-CE1 3.62Å; I574-F576 HydrophobicContact CG2-CE2 4.32Å; I574-F576 HydrophobicContact CG2-CZ 3.75Å; F576-S578 PolarHBondContact O-N 2.86Å; F576-T579 VanDerWaalsContact CB-OG1 3.28Å; F576-T579 WeakPolarHBondContact CB-OG1 3.31Å; F576-T579 PolarHBondContact O-N 3.21Å; F576-Q580 WeakPolarHBondContact O-CA 3.24Å; F576-Q580 PolarHBondContact O-N 3.38Å; F576-S581 WeakPolarHBondContact CD2-OG 3.24Å; F576-S581 PolarHBondContact N-O 3.46Å; F576-S581 PolarHBondContact O-N 2.86Å; F576-C583 HydrophobicContact CD2-CB 4.24Å; F576-C583 HydrophobicContact CE2-CB 3.48Å; F576-C583 VanDerWaalsContact CE2-CB 3.48Å; F576-C583 HydrophobicContact CZ-CB 4.18Å; F576-M596 HydrophobicContact CD2-CE 4.37Å; F576-M596 HydrophobicContact CE2-CE 4.39Å; F576-M596 HydrophobicContact CE2-SD 4.23Å
577	A	84.9	Confident	93.7	Very high	65 Å²	65	29.5 Å²	29.5	54%	0.537	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.9	-178.5	0	0	0	0	0	113.5	F575 T579 Q580	F575-A577 HydrophobicContact CE1-CB 4.15Å; F575-A577 PolarHBondContact O-N 2.88Å; A577-T579 VanDerWaalsContact C-N 3.34Å; A577-T579 PolarHBondContact O-N 2.93Å; A577-Q580 PolarHBondContact O-NE2 3.46Å
578	S	83.4	Confident	93.8	Very high	116 Å²	116	29.3 Å²	29.3	81%	0.811	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.6	-179.5	54.9	0	0	0	0	113.6	F576	F576-S578 PolarHBondContact O-N 2.86Å
579	T	86.1	Confident	93.7	Very high	92 Å²	92	30.3 Å²	30.3	56%	0.564	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-2.3	-177.8	49.3	0	0	0	0	112.7	F576 A577 S581	F576-T579 VanDerWaalsContact CB-OG1 3.28Å; F576-T579 WeakPolarHBondContact CB-OG1 3.31Å; F576-T579 PolarHBondContact O-N 3.21Å; A577-T579 VanDerWaalsContact C-N 3.34Å; A577-T579 PolarHBondContact O-N 2.93Å; T579-S581 PolarHBondContact O-N 3.47Å; T579-S581 PolarHBondContact OG1-OG 2.68Å
580	Q	86.7	Confident	93.6	Very high	133 Å²	133	35.2 Å²	35.2	62%	0.621	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	36	-172.6	-62.2	-70	-60.7	0	0	112.3	F576 A577	F576-Q580 WeakPolarHBondContact O-CA 3.24Å; F576-Q580 PolarHBondContact O-N 3.38Å; A577-Q580 PolarHBondContact O-NE2 3.46Å
581	S	89.5	Confident	93.6	Very high	28 Å²	28	35.8 Å²	35.8	20%	0.196	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.2	-175.3	63.4	0	0	0	0	111.4	F576 T579	F576-S581 WeakPolarHBondContact CD2-OG 3.24Å; F576-S581 PolarHBondContact N-O 3.46Å; F576-S581 PolarHBondContact O-N 2.86Å; T579-S581 PolarHBondContact O-N 3.47Å; T579-S581 PolarHBondContact OG1-OG 2.68Å
582	H	93.4	Very high	93.6	Very high	38 Å²	38	35.8 Å²	35.8	18%	0.176	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.7	178.9	-64.6	-102.6	0	0	0	110.6	P525 F575 W597	P525-H582 WeakPolarHBondContact CA-NE2 3.39Å; P525-H582 HydrophobicContact CB-CB 3.96Å; P525-H582 VanDerWaalsContact CB-CD2 3.45Å; P525-H582 WeakPolarHBondContact CB-CD2 3.19Å; F575-H582 AromaticContact CD2-CD2 3.88Å; F575-H582 AromaticContact CD2-CE1 3.29Å; F575-H582 WeakPolarHBondContact CD2-CE1 3.37Å; F575-H582 AromaticContact CD2-ND1 3.67Å; F575-H582 AromaticContact CD2-NE2 3.41Å; F575-H582 WeakPolarHBondContact CD2-NE2 3.47Å; F575-H582 AromaticContact CE2-CE1 3.68Å; F575-H582 AromaticContact CE2-NE2 3.37Å; F575-H582 WeakPolarHBondContact CE2-NE2 3.43Å; H582-W597 HydrophobicContact CB-CB 4.1Å; H582-W597 PolarHBondContact O-N 2.96Å
583	C	95.4	Very high	93.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.6	173.4	-176.4	0	0	0	0	110.1	P573 I574 F576 Y595 M596	P573-C583 CarbonylContact C-O 3.58Å; P573-C583 WeakPolarHBondContact CA-O 3.25Å; I574-C583 HydrophobicContact CB-CB 4.26Å; I574-C583 PolarHBondContact N-O 2.85Å; I574-C583 PolarHBondContact O-N 2.77Å; F576-C583 HydrophobicContact CD2-CB 4.24Å; F576-C583 HydrophobicContact CE2-CB 3.48Å; F576-C583 VanDerWaalsContact CE2-CB 3.48Å; F576-C583 HydrophobicContact CZ-CB 4.18Å; C583-Y595 CarbonylContact C-O 3.49Å; C583-Y595 VanDerWaalsContact CA-O 3.24Å; C583-Y595 WeakPolarHBondContact CA-O 3.45Å; C583-Y595 PolarHBondContact SG-O 3.21Å; C583-M596 HydrophobicContact CB-SD 3.55Å; C583-M596 VanDerWaalsContact CB-SD 3.55Å
584	L	97.3	Very high	93.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.5	172.5	-178	67.4	0	0	0	107.8	F204 F522 V534 I545 L557 V571 P573 L586 Y595	F204-L584 HydrophobicContact CD1-CB 3.76Å; F204-L584 HydrophobicContact CD2-CD2 4.33Å; F204-L584 HydrophobicContact CE1-CB 3.65Å; F204-L584 HydrophobicContact CE2-CD2 4.5Å; F204-L584 HydrophobicContact CG-CB 4.37Å; F204-L584 HydrophobicContact CG-CD2 4.33Å; F204-L584 HydrophobicContact CZ-CB 4.16Å; F522-L584 HydrophobicContact CE1-CD1 4.16Å; F522-L584 HydrophobicContact CZ-CD1 4.05Å; V534-L584 HydrophobicContact CG1-CD2 4.13Å; V534-L584 HydrophobicContact CG2-CD1 4.43Å; V534-L584 HydrophobicContact CG2-CD2 4.14Å; I545-L584 HydrophobicContact CD1-CD2 4.04Å; L557-L584 HydrophobicContact CD1-CD2 3.79Å; V571-L584 HydrophobicContact CG1-CD1 3.52Å; V571-L584 HydrophobicContact CG1-CG 4.41Å; P573-L584 HydrophobicContact CB-CD1 4.33Å; L584-L586 HydrophobicContact CD2-CD2 4.41Å; L584-L586 HydrophobicContact CG-CD2 4.27Å; L584-Y595 PolarHBondContact N-O 3.39Å; L584-Y595 PolarHBondContact O-N 3.25Å
585	T	98.3	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.2	176.7	63.6	0	0	0	0	110.9	L230 V571 C572 I574 H593 F594	L230-T585 HydrophobicContact CD2-CG2 4.07Å; V571-T585 WeakPolarHBondContact CA-O 3.38Å; C572-T585 WeakPolarHBondContact CB-OG1 3.25Å; C572-T585 PolarHBondContact N-O 2.87Å; C572-T585 PolarHBondContact O-N 3.34Å; C572-T585 PolarHBondContact O-OG1 3.01Å; I574-T585 HydrophobicContact CD1-CG2 3.72Å; T585-H593 VanDerWaalsContact CA-O 3.27Å; T585-H593 WeakPolarHBondContact CA-O 3.19Å; T585-F594 HydrophobicContact CG2-CD1 3.58Å; T585-F594 HydrophobicContact CG2-CE1 3.64Å; T585-F594 HydrophobicContact CG2-CG 4.24Å; T585-F594 HydrophobicContact CG2-CZ 4.34Å
586	L	98.5	Very high	94	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.3	178.7	-53.6	179.9	0	0	0	108.9	V534 A543 L557 P559 I568 V571 L584 H593 Y595	V534-L586 HydrophobicContact CG1-CD2 4.46Å; A543-L586 HydrophobicContact CB-CD1 3.87Å; A543-L586 HydrophobicContact CB-CD2 4.1Å; L557-L586 HydrophobicContact CB-CD1 4.26Å; L557-L586 HydrophobicContact CD1-CD1 3.92Å; P559-L586 HydrophobicContact CG-CD1 3.84Å; I568-L586 HydrophobicContact CD1-CB 3.92Å; I568-L586 HydrophobicContact CG1-CB 4.5Å; I568-L586 HydrophobicContact CG2-CB 4.2Å; I568-L586 HydrophobicContact CG2-CD2 4.37Å; V571-L586 HydrophobicContact CB-CD2 4.37Å; V571-L586 HydrophobicContact CG1-CD2 3.98Å; V571-L586 HydrophobicContact CG2-CD2 3.82Å; L584-L586 HydrophobicContact CD2-CD2 4.41Å; L584-L586 HydrophobicContact CG-CD2 4.27Å; L586-H593 HydrophobicContact CB-CB 4.4Å; L586-H593 PolarHBondContact N-O 3.29Å; L586-H593 PolarHBondContact O-CD2 2.9Å; L586-H593 PolarHBondContact O-N 2.99Å; L586-Y595 HydrophobicContact CD1-CD2 4.14Å; L586-Y595 HydrophobicContact CD1-CE2 3.75Å; L586-Y595 HydrophobicContact CG-CD2 4.36Å; L586-Y595 HydrophobicContact CG-CE2 4.36Å
587	L	98.4	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.4	-179.2	179.9	65.5	0	0	0	110.6	C218 M221 V232 I568 L569 D570	C218-L587 HydrophobicContact CB-CD1 3.84Å; C218-L587 HydrophobicContact CB-CD2 4.11Å; C218-L587 HydrophobicContact CB-CG 4.2Å; M221-L587 HydrophobicContact CE-CB 3.56Å; M221-L587 HydrophobicContact CG-CB 4.04Å; M221-L587 HydrophobicContact CG-CD2 3.66Å; M221-L587 HydrophobicContact CG-CG 4.35Å; M221-L587 HydrophobicContact SD-CB 3.67Å; M221-L587 HydrophobicContact SD-CD2 4.37Å; M221-L587 HydrophobicContact SD-CG 4.44Å; V232-L587 HydrophobicContact CG1-CD1 3.57Å; V232-L587 HydrophobicContact CG1-CD2 3.84Å; V232-L587 HydrophobicContact CG1-CG 4.37Å; I568-L587 CarbonylContact C-O 3.55Å; I568-L587 WeakPolarHBondContact CA-O 3.41Å; L569-L587 PolarHBondContact N-O 2.99Å; D570-L587 HydrophobicContact CB-CB 4.31Å; D570-L587 HydrophobicContact CB-CD2 4.31Å; D570-L587 PolarHBondContact O-N 3.23Å
588	T	97.2	Very high	94.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.179	C	C	.	.			trans	-98.5	-175.1	162.4	64.7	0	0	0	0	110.3	T562 I568 R590 M591	T562-T588 HydrophobicContact CG2-CG2 3.53Å; I568-T588 HydrophobicContact CD1-CG2 3.7Å; T588-R590 PolarHBondContact O-N 3.24Å; T588-R590 VanDerWaalsContact O-N 3.11Å; T588-R590 PolarHBondContact OG1-N 3.04Å; T588-M591 PolarHBondContact N-O 3.44Å; T588-M591 WeakPolarHBondContact OG1-CA 3.37Å; T588-M591 WeakPolarHBondContact OG1-CB 3.39Å; T588-M591 PolarHBondContact OG1-N 2.97Å; T588-M591 PolarHBondContact OG1-O 3.28Å
589	D	94.8	Very high	94.6	Very high	24 Å²	24	32.3 Å²	32.3	13%	0.128	15%	0.154	C	C	.	.	S	Bend	trans	-56.2	-26	173.2	-175.6	56.9	0	0	0	113.2	G216 N217 C218 L569	G216-D589 CarbonylContact C-O 3.55Å; G216-D589 VanDerWaalsContact C-O 3.28Å; G216-D589 WeakPolarHBondContact CA-O 3.19Å; G216-D589 VanDerWaalsContact CA-OD2 3.23Å; G216-D589 WeakPolarHBondContact CA-OD2 3.26Å; N217-D589 WeakPolarHBondContact CA-OD1 3.42Å; N217-D589 PolarHBondContact N-O 3.05Å; N217-D589 PolarHBondContact N-OD1 2.84Å; C218-D589 VanDerWaalsContact CB-O 3.25Å; C218-D589 WeakPolarHBondContact CB-O 3.46Å; C218-D589 PolarHBondContact N-O 2.84Å; C218-D589 PolarHBondContact SG-O 3.05Å; L569-D589 HydrophobicContact CD1-CB 4.23Å
590	R	95.6	Very high	93.9	Very high	107 Å²	107	35 Å²	35	40%	0.404	16%	0.16	S	C	.	.	S	Bend	trans	-129.2	-34.3	-172.4	-62.8	-176.8	-174.9	174.8	-1.3	114.7	L211 I212 S213 T588	L211-R590 HydrophobicContact CD1-CB 4.21Å; I212-R590 WeakPolarHBondContact CA-O 3.29Å; I212-R590 WeakPolarHBondContact CB-O 3.44Å; I212-R590 PolarHBondContact N-O 3.09Å; S213-R590 PolarHBondContact N-O 3Å; S213-R590 WeakPolarHBondContact O-CB 3.48Å; S213-R590 VanDerWaalsContact O-CG 3.3Å; S213-R590 WeakPolarHBondContact O-CG 3.16Å; T588-R590 PolarHBondContact O-N 3.24Å; T588-R590 VanDerWaalsContact O-N 3.11Å; T588-R590 PolarHBondContact OG1-N 3.04Å
591	M	96.9	Very high	92.8	Very high	20 Å²	20	36.2 Å²	36.2	10%	0.099	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.3	-166.3	-52.6	-61.9	-80.5	0	0	111.4	T209 L210 L211 T588	T209-M591 HydrophobicContact CG2-CB 4.48Å; T209-M591 HydrophobicContact CG2-CE 3.53Å; L210-M591 CarbonylContact O-C 3.59Å; L210-M591 WeakPolarHBondContact O-CA 2.89Å; L211-M591 VanDerWaalsContact CA-SD 3.57Å; L211-M591 HydrophobicContact CB-CE 4.15Å; L211-M591 HydrophobicContact CB-SD 3.76Å; L211-M591 HydrophobicContact CD1-SD 3.38Å; L211-M591 WeakPolarHBondContact CD1-SD 3.45Å; L211-M591 HydrophobicContact CG-SD 4.15Å; T588-M591 PolarHBondContact N-O 3.44Å; T588-M591 WeakPolarHBondContact OG1-CA 3.37Å; T588-M591 WeakPolarHBondContact OG1-CB 3.39Å; T588-M591 PolarHBondContact OG1-N 2.97Å; T588-M591 PolarHBondContact OG1-O 3.28Å
592	L	98.1	Very high	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.5	172.1	177.3	68.6	0	0	0	109.2	T209 L210 I212 M221 L230 V232 V249 F594	T209-L592 CarbonylContact C-O 3.56Å; T209-L592 WeakPolarHBondContact CA-O 3.38Å; L210-L592 PolarHBondContact N-O 3.07Å; L210-L592 PolarHBondContact O-N 3.3Å; I212-L592 HydrophobicContact CD1-CB 3.74Å; I212-L592 HydrophobicContact CD1-CD2 4.07Å; I212-L592 HydrophobicContact CG1-CB 3.63Å; M221-L592 HydrophobicContact SD-CD1 3.44Å; M221-L592 WeakPolarHBondContact SD-CD1 3.47Å; L230-L592 HydrophobicContact CD2-CD1 3.96Å; L230-L592 HydrophobicContact CD2-CD2 3.6Å; L230-L592 HydrophobicContact CD2-CG 4.38Å; V232-L592 HydrophobicContact CG2-CD2 4.16Å; V249-L592 HydrophobicContact CG1-CD2 4.23Å; V249-L592 HydrophobicContact CG2-CD2 4.17Å; L592-F594 HydrophobicContact CD2-CD2 4.48Å; L592-F594 HydrophobicContact CD2-CE2 3.43Å; L592-F594 VanDerWaalsContact CD2-CE2 3.43Å; L592-F594 HydrophobicContact CD2-CZ 3.53Å; L592-F594 HydrophobicContact CG-CD2 4.33Å; L592-F594 HydrophobicContact CG-CE2 3.7Å; L592-F594 HydrophobicContact CG-CZ 4.17Å
593	H	98.3	Very high	88.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.4	-178.2	-50.2	-81.4	0	0	0	110.3	L206 T209 P559 P560 T585 L586 Y595	L206-H593 HydrophobicContact CD1-CB 4.03Å; T209-H593 VanDerWaalsContact CG2-ND1 3.28Å; T209-H593 WeakPolarHBondContact CG2-ND1 3.31Å; T209-H593 PolarHBondContact OG1-ND1 3.48Å; P559-H593 HydrophobicContact CB-CB 4.16Å; P560-H593 PolarHBondContact O-CE1 2.83Å; T585-H593 VanDerWaalsContact CA-O 3.27Å; T585-H593 WeakPolarHBondContact CA-O 3.19Å; L586-H593 HydrophobicContact CB-CB 4.4Å; L586-H593 PolarHBondContact N-O 3.29Å; L586-H593 PolarHBondContact O-CD2 2.9Å; L586-H593 PolarHBondContact O-N 2.99Å; H593-Y595 HydrophobicContact CB-CD2 4.43Å; H593-Y595 HydrophobicContact CB-CE2 3.91Å
594	F	98	Very high	88	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125	178	-71.3	-98.8	0	0	0	110	V207 N208 L210 L230 V249 Q254 T585 L592	V207-F594 HydrophobicContact CG2-CB 3.81Å; V207-F594 VanDerWaalsContact CG2-O 3.32Å; V207-F594 WeakPolarHBondContact CG2-O 3.12Å; V207-F594 PolarHBondContact N-O 2.68Å; N208-F594 HydrophobicContact CB-CB 4.29Å; N208-F594 HydrophobicContact CB-CD2 4.47Å; N208-F594 PolarHBondContact N-O 3.4Å; N208-F594 PolarHBondContact O-N 3.48Å; L210-F594 HydrophobicContact CD1-CE2 3.7Å; L210-F594 HydrophobicContact CD1-CZ 4.36Å; L210-F594 HydrophobicContact CG-CE2 4.08Å; L230-F594 HydrophobicContact CD2-CZ 4.42Å; V249-F594 HydrophobicContact CG1-CE2 4.45Å; V249-F594 HydrophobicContact CG1-CZ 3.88Å; Q254-F594 HydrophobicContact CB-CD1 4.47Å; Q254-F594 HydrophobicContact CB-CD2 4.39Å; Q254-F594 HydrophobicContact CB-CE1 4.44Å; Q254-F594 HydrophobicContact CB-CE2 4.36Å; Q254-F594 HydrophobicContact CB-CG 4.44Å; Q254-F594 HydrophobicContact CB-CZ 4.38Å; Q254-F594 HydrophobicContact CG-CD1 3.79Å; Q254-F594 HydrophobicContact CG-CD2 4.48Å; Q254-F594 HydrophobicContact CG-CE1 4.01Å; Q254-F594 HydrophobicContact CG-CG 4.05Å; Q254-F594 HydrophobicContact CG-CZ 4.44Å; T585-F594 HydrophobicContact CG2-CD1 3.58Å; T585-F594 HydrophobicContact CG2-CE1 3.64Å; T585-F594 HydrophobicContact CG2-CG 4.24Å; T585-F594 HydrophobicContact CG2-CZ 4.34Å; L592-F594 HydrophobicContact CD2-CD2 4.48Å; L592-F594 HydrophobicContact CD2-CE2 3.43Å; L592-F594 VanDerWaalsContact CD2-CE2 3.43Å; L592-F594 HydrophobicContact CD2-CZ 3.53Å; L592-F594 HydrophobicContact CG-CD2 4.33Å; L592-F594 HydrophobicContact CG-CE2 3.7Å; L592-F594 HydrophobicContact CG-CZ 4.17Å
595	Y	97.6	Very high	87.6	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.1	171.8	-72.4	-103.5	0	0	0	110	F204 T205 L206 L557 P559 C583 L584 L586 H593	F204-Y595 HydrophobicContact CB-CD1 4.28Å; T205-Y595 VanDerWaalsContact C-CD1 3.46Å; T205-Y595 CarbonylContact O-C 3.47Å; T205-Y595 WeakPolarHBondContact O-CA 3.39Å; L206-Y595 HydrophobicContact CB-CD1 4.08Å; L206-Y595 HydrophobicContact CB-CE1 3.61Å; L206-Y595 HydrophobicContact CB-CE2 4.49Å; L206-Y595 HydrophobicContact CD1-CD2 4.08Å; L206-Y595 HydrophobicContact CD1-CE1 4.24Å; L206-Y595 HydrophobicContact CD1-CE2 3.55Å; L206-Y595 VanDerWaalsContact N-CD1 3.28Å; L557-Y595 HydrophobicContact CB-CE1 4.18Å; L557-Y595 HydrophobicContact CD1-CD1 3.96Å; L557-Y595 HydrophobicContact CD1-CD2 4.26Å; L557-Y595 HydrophobicContact CD1-CE1 4.12Å; L557-Y595 HydrophobicContact CD1-CE2 4.4Å; L557-Y595 HydrophobicContact CD1-CG 4.06Å; L557-Y595 HydrophobicContact CD2-CD1 3.87Å; L557-Y595 HydrophobicContact CD2-CE1 3.77Å; L557-Y595 HydrophobicContact CG-CD1 4.43Å; L557-Y595 HydrophobicContact CG-CE1 4.25Å; P559-Y595 VanDerWaalsContact CA-OH 3.26Å; P559-Y595 WeakPolarHBondContact CA-OH 3.4Å; P559-Y595 HydrophobicContact CG-CE2 4.11Å; P559-Y595 WeakPolarHBondContact CG-OH 3.31Å; C583-Y595 CarbonylContact C-O 3.49Å; C583-Y595 VanDerWaalsContact CA-O 3.24Å; C583-Y595 WeakPolarHBondContact CA-O 3.45Å; C583-Y595 PolarHBondContact SG-O 3.21Å; L584-Y595 PolarHBondContact N-O 3.39Å; L584-Y595 PolarHBondContact O-N 3.25Å; L586-Y595 HydrophobicContact CD1-CD2 4.14Å; L586-Y595 HydrophobicContact CD1-CE2 3.75Å; L586-Y595 HydrophobicContact CG-CD2 4.36Å; L586-Y595 HydrophobicContact CG-CE2 4.36Å; H593-Y595 HydrophobicContact CB-CD2 4.43Å; H593-Y595 HydrophobicContact CB-CE2 3.91Å
596	M	95.5	Very high	87	Confident	27 Å²	27	56 Å²	56	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138	174.7	-66.2	-65.6	-68.2	0	0	109.9	T205 V207 F576 C583 R598	T205-M596 PolarHBondContact N-O 2.88Å; T205-M596 PolarHBondContact O-N 2.84Å; T205-M596 PolarHBondContact OG1-O 2.85Å; V207-M596 HydrophobicContact CB-CG 4.26Å; V207-M596 HydrophobicContact CG1-CB 3.82Å; V207-M596 HydrophobicContact CG1-CG 3.66Å; V207-M596 HydrophobicContact CG2-CB 4.49Å; V207-M596 HydrophobicContact CG2-CG 3.6Å; F576-M596 HydrophobicContact CD2-CE 4.37Å; F576-M596 HydrophobicContact CE2-CE 4.39Å; F576-M596 HydrophobicContact CE2-SD 4.23Å; C583-M596 HydrophobicContact CB-SD 3.55Å; C583-M596 VanDerWaalsContact CB-SD 3.55Å; M596-R598 PolarHBondContact O-N 2.6Å
597	W	93.9	Very high	86.3	Confident	33 Å²	33	59.3 Å²	59.3	13%	0.125	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.6	171.2	-175.4	-104.8	0	0	0	110.6	G202 F204 P525 M554 H582	G202-W597 WeakPolarHBondContact O-CH2 3.46Å; F204-W597 HydrophobicContact CD1-CB 4.3Å; F204-W597 HydrophobicContact CD1-CE3 4.32Å; F204-W597 AromaticContact CD2-CE3 3.57Å; F204-W597 HydrophobicContact CD2-CE3 3.57Å; F204-W597 AromaticContact CD2-CZ3 3.82Å; F204-W597 HydrophobicContact CD2-CZ3 3.82Å; F204-W597 HydrophobicContact CE1-CB 3.99Å; F204-W597 HydrophobicContact CE1-CE3 4.28Å; F204-W597 AromaticContact CE2-CE3 3.55Å; F204-W597 HydrophobicContact CE2-CE3 3.55Å; F204-W597 AromaticContact CE2-CZ3 3.86Å; F204-W597 HydrophobicContact CE2-CZ3 3.86Å; F204-W597 AromaticContact CG-CE3 3.98Å; F204-W597 HydrophobicContact CG-CE3 3.98Å; F204-W597 HydrophobicContact CZ-CB 4.44Å; F204-W597 AromaticContact CZ-CE3 3.92Å; F204-W597 HydrophobicContact CZ-CE3 3.92Å; P525-W597 HydrophobicContact CB-CB 4.31Å; P525-W597 HydrophobicContact CB-CD2 3.92Å; P525-W597 HydrophobicContact CB-CG 3.7Å; P525-W597 HydrophobicContact CG-CB 4.43Å; P525-W597 HydrophobicContact CG-CD2 3.27Å; P525-W597 HydrophobicContact CG-CE3 3.67Å; P525-W597 HydrophobicContact CG-CG 3.63Å; P525-W597 HydrophobicContact CG-CH2 3.99Å; P525-W597 HydrophobicContact CG-CZ2 3.65Å; P525-W597 HydrophobicContact CG-CZ3 4Å; M554-W597 HydrophobicContact CE-CH2 4.24Å; H582-W597 HydrophobicContact CB-CB 4.1Å; H582-W597 PolarHBondContact O-N 2.96Å
598	R	91.3	Very high	85.5	Confident	116 Å²	116	63 Å²	63	44%	0.438	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.4	175.3	-61.9	-66.3	-175.1	173.3	-0.2	109	G202 Q203 T205 M596	G202-R598 CarbonylContact C-O 3.55Å; G202-R598 WeakPolarHBondContact CA-O 3.4Å; Q203-R598 PolarHBondContact N-O 3.29Å; Q203-R598 PolarHBondContact O-N 2.93Å; T205-R598 HydrophobicContact CG2-CB 4.28Å; T205-R598 HydrophobicContact CG2-CG 3.96Å; T205-R598 WeakPolarHBondContact OG1-CG 3.46Å; M596-R598 PolarHBondContact O-N 2.6Å
599	T	86.5	Confident	84.7	Confident	48 Å²	48	67.1 Å²	67.1	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	154.1	172.3	55.7	0	0	0	0	110.2	D201 N601 S602	D201-T599 VanDerWaalsContact O-CA 3.25Å; D201-T599 WeakPolarHBondContact O-CA 3.36Å; D201-T599 WeakPolarHBondContact O-CB 3.35Å; T599-N601 PolarHBondContact O-N 3.11Å; T599-S602 PolarHBondContact N-OG 3.39Å; T599-S602 PolarHBondContact O-N 2.8Å; T599-S602 VanDerWaalsContact O-N 3.09Å; T599-S602 PolarHBondContact O-OG 3.04Å
600	Q	70.7	Confident	84	Confident	149 Å²	149	70.2 Å²	70.2	70%	0.696	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.1	-177.3	-67.1	-175.4	2.7	0	0	113.5	F200 D201	F200-Q600 PolarHBondContact O-NE2 3.16Å; D201-Q600 PolarHBondContact O-N 2.61Å
601	N	63.1	Low	83.1	Confident	158 Å²	158	67.4 Å²	67.4	85%	0.845	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	11.3	178.7	-69.3	-18.2	0	0	0	114.6	T599	T599-N601 PolarHBondContact O-N 3.11Å
602	S	52.3	Low	82	Confident	52 Å²	52	71.3 Å²	71.3	36%	0.364	33%	0.33	S	S	.	.			trans	-106.7	29.4	-170.6	61.9	0	0	0	0	116.1	T599	T599-S602 PolarHBondContact N-OG 3.39Å; T599-S602 PolarHBondContact O-N 2.8Å; T599-S602 VanDerWaalsContact O-N 3.09Å; T599-S602 PolarHBondContact O-OG 3.04Å
603	Y	38.5	Very low	80.5	Confident	264 Å²	264	77.8 Å²	77.8	100%	1.035	36%	0.361	S	S	*	.			trans	-106.3	0	172.3	-80.8	-75.9	0	0	0	113.3

Retrieved 603 of 603 residues in 817.9 ms (Link to these results)

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