A0A087XPV1_POEFO Loading...

U5 small nuclear ribonucleoprotein 40 kDa protein

Required for pre-mRNA splicing as component of the activated spliceosome. Component of the U5 small nuclear ribonucleoprotein (snRNP) complex and the U4/U6-U5 tri-snRNP complex, building blocks of the spliceosome. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB (A0A3B3VC00), UniProt , Accession A0A087XPV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 347 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	34.6	Very low	228 Å²	228	160.5 Å²	160.5	100%	1.123	85%	0.849	S	S	*	*				0	120.8	0	-95.4	178.1	-167.1	0	0	108.1
2	I	37.8	Very low	34.5	Very low	152 Å²	152	155.7 Å²	155.7	78%	0.779	85%	0.849	S	S	*	*			trans	71	92.6	145.3	-48.1	164.6	0	0	0	116.5
3	E	37.1	Very low	34.6	Very low	180 Å²	180	154.3 Å²	154.3	84%	0.841	85%	0.848	S	S	*	*			trans	-64	159	132.4	-100.2	-166.2	173.2	0	0	109.1
4	P	51.8	Low	34.6	Very low	98 Å²	98	152.4 Å²	152.4	64%	0.636	84%	0.843	S	S	*	*				-159.9	-171.2	52.1	37	-11.1	0	0	0	118.4
5	L	33.7	Very low	34.5	Very low	153 Å²	153	150.5 Å²	150.5	80%	0.801	84%	0.84	S	S	*	*			trans	106.7	98.2	146.3	-77	152.4	0	0	0	121
6	K	33.4	Very low	34.3	Very low	187 Å²	187	148.3 Å²	148.3	81%	0.813	84%	0.839	S	S	*	*				8.1	144	126.7	-71.4	176.6	179.3	174.3	0	116.7
7	R	30.7	Very low	34.3	Very low	229 Å²	229	145.2 Å²	145.2	86%	0.864	84%	0.835	S	S	*	*			cis	-176	144.1	40.3	-136.7	177.6	-176.3	172.5	-1.2	111
8	A	29.4	Very low	34.3	Very low	103 Å²	103	147.6 Å²	147.6	85%	0.851	84%	0.841	S	S	*	*			trans	66.3	131.8	135	0	0	0	0	0	123.9
9	G	29.4	Very low	34.2	Very low	78 Å²	78	150.9 Å²	150.9	80%	0.804	84%	0.844	S	S	*	*			trans	177.5	112.9	163	0	0	0	0	0	110.9
10	D	29.1	Very low	34.2	Very low	166 Å²	166	154.9 Å²	154.9	89%	0.888	85%	0.846	S	S	*	*			trans	-54.2	144.2	-169.8	-70.7	-52	0	0	0	117.4
11	M	31.9	Very low	34.1	Very low	191 Å²	191	153.7 Å²	153.7	94%	0.941	85%	0.846	S	S	*	*			trans	-143.4	135.1	141.9	-80.4	-153.9	-176.6	0	0	111.6
12	A	33.2	Very low	33.8	Very low	103 Å²	103	154 Å²	154	85%	0.851	83%	0.834	S	S	*	*			trans	-66.2	137.4	-167.9	0	0	0	0	0	114.5
13	V	35.5	Very low	33.5	Very low	138 Å²	138	155.2 Å²	155.2	84%	0.836	84%	0.839	S	S	*	*			trans	-121.9	119.1	164.2	179.8	0	0	0	0	108.6
14	V	34.5	Very low	33.2	Very low	127 Å²	127	154.8 Å²	154.8	77%	0.77	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-65.5	131	179.4	-176.1	0	0	0	0	109.9	S16	V14-S16 PolarHBondContact O-N 3.26Å
15	P	33.9	Very low	32.1	Very low	124 Å²	124	158 Å²	158	81%	0.805	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-76.3	120.5	176.9	27.6	-30.1	0	0	0	111.2	A17	P15-A17 PolarHBondContact O-N 2.7Å
16	S	31.5	Very low	32	Very low	116 Å²	116	156.9 Å²	156.9	81%	0.811	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-71	117.7	173	56.3	0	0	0	0	111	V14 M18	V14-S16 PolarHBondContact O-N 3.26Å; S16-M18 PolarHBondContact O-N 3.21Å
17	A	33.2	Very low	31.7	Very low	95 Å²	95	152.5 Å²	152.5	79%	0.785	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-65.8	127	176.7	0	0	0	0	0	112.1	P15 K19	P15-A17 PolarHBondContact O-N 2.7Å; A17-K19 PolarHBondContact O-N 3.27Å
18	M	34.9	Very low	31.6	Very low	189 Å²	189	145.9 Å²	145.9	93%	0.931	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-60.5	119.9	167.2	-83.2	178.6	178.8	0	0	110	S16 R20	S16-M18 PolarHBondContact O-N 3.21Å; M18-R20 PolarHBondContact O-N 3.05Å; M18-R20 VanDerWaalsContact O-N 3.17Å
19	K	33.2	Very low	31.7	Very low	210 Å²	210	145.5 Å²	145.5	91%	0.913	84%	0.837	S	S	*	*			trans	-65	110.5	173.2	-74.7	179.6	176.2	177.3	0	109.8	A17	A17-K19 PolarHBondContact O-N 3.27Å
20	R	33.2	Very low	31.8	Very low	231 Å²	231	150.7 Å²	150.7	87%	0.872	84%	0.84	S	S	*	*			trans	-68.5	143.1	161.6	-71.5	178.6	175.3	178.9	-2.1	109.2	M18 R22	M18-R20 PolarHBondContact O-N 3.05Å; M18-R20 VanDerWaalsContact O-N 3.17Å; R20-R22 PolarHBondContact O-N 3.06Å
21	P	32.2	Very low	32.4	Very low	130 Å²	130	148.7 Å²	148.7	84%	0.844	84%	0.84	S	S	*	*			trans	-65.8	133.3	174.1	27.3	-31.2	0	0	0	109.7	M23	P21-M23 PolarHBondContact O-N 2.91Å
22	R	29.8	Very low	32.6	Very low	234 Å²	234	148.2 Å²	148.2	88%	0.883	84%	0.835	S	S	*	*			trans	-76	109.1	-173.8	-168.1	177.7	-176.4	167.7	-0.8	109.1	R20 E24	R20-R22 PolarHBondContact O-N 3.06Å; R22-E24 PolarHBondContact O-N 3.18Å
23	M	31.8	Very low	32.7	Very low	177 Å²	177	152.3 Å²	152.3	87%	0.872	84%	0.836	S	S	*	*			trans	-72.1	116.1	165.3	-122.5	172.9	173.7	0	0	107.6	P21 L25	P21-M23 PolarHBondContact O-N 2.91Å; M23-L25 PolarHBondContact O-N 3.18Å
24	E	30.5	Very low	32.7	Very low	172 Å²	172	154.1 Å²	154.1	80%	0.804	84%	0.84	S	S	*	*			trans	-74.5	110.3	168.6	-79.6	-174.3	155.4	0	0	109.1	R22 V26	R22-E24 PolarHBondContact O-N 3.18Å; E24-V26 PolarHBondContact O-N 2.88Å
25	L	28.6	Very low	33.2	Very low	165 Å²	165	154.1 Å²	154.1	86%	0.864	84%	0.841	S	S	*	*			trans	-80.9	101.9	165.6	-99.8	127.8	0	0	0	108.3	M23	M23-L25 PolarHBondContact O-N 3.18Å
26	V	31.4	Very low	33.4	Very low	129 Å²	129	152.5 Å²	152.5	78%	0.782	84%	0.838	S	S	*	*			trans	-96.9	102.9	156.5	179.7	0	0	0	0	106.7	E24	E24-V26 PolarHBondContact O-N 2.88Å
27	A	27.8	Very low	33.9	Very low	95 Å²	95	151.9 Å²	151.9	79%	0.785	84%	0.839	S	S	*	*			trans	-82	111.8	169.8	0	0	0	0	0	109
28	A	28.7	Very low	34.8	Very low	90 Å²	90	149.8 Å²	149.8	74%	0.744	83%	0.827	S	S	*	*			trans	-147.5	113.2	155.9	0	0	0	0	0	109.3
29	A	30.8	Very low	35.7	Very low	96 Å²	96	144.8 Å²	144.8	79%	0.793	81%	0.809	S	S	*	*			trans	-12.2	115.8	170.5	0	0	0	0	0	118.3
30	Q	32.9	Very low	36.5	Very low	186 Å²	186	139.9 Å²	139.9	87%	0.869	80%	0.799	S	S	*	*				178.2	141.6	109.9	-93.6	171.8	-1.5	0	0	109.1	Q32	Q30-Q32 PolarHBondContact O-N 2.9Å; Q30-Q32 VanDerWaalsContact O-N 3.1Å
31	S	40.6	Very low	37.4	Very low	125 Å²	125	136.5 Å²	136.5	87%	0.874	79%	0.786	S	S	*	*			trans	-59.3	103.3	-174.3	48.4	0	0	0	0	113.4
32	Q	36.8	Very low	38.5	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	77%	0.773	S	S	*	*			trans	-135.6	123	156.6	-82	-177.8	-20.3	0	0	108.4	Q30 L34	Q30-Q32 PolarHBondContact O-N 2.9Å; Q30-Q32 VanDerWaalsContact O-N 3.1Å; Q32-L34 PolarHBondContact O-N 2.96Å; Q32-L34 VanDerWaalsContact O-N 3.16Å
33	Q	35	Very low	39.8	Very low	188 Å²	188	124.2 Å²	124.2	88%	0.879	74%	0.735	S	S	*	*			trans	-56.9	118	174.5	-77.5	168.5	-27.5	0	0	109	V35	Q33-V35 VanDerWaalsContact C-N 3.29Å; Q33-V35 PolarHBondContact O-N 3Å
34	L	36	Very low	41.2	Very low	176 Å²	176	119.2 Å²	119.2	92%	0.921	72%	0.717	S	S	*	*			trans	-64.9	90.7	167.5	-78.8	151.6	0	0	0	108.2	Q32 A36	Q32-L34 PolarHBondContact O-N 2.96Å; Q32-L34 VanDerWaalsContact O-N 3.16Å; L34-A36 PolarHBondContact O-N 2.72Å; L34-A36 VanDerWaalsContact O-N 3.16Å
35	V	43.7	Very low	42.5	Very low	128 Å²	128	111.3 Å²	111.3	78%	0.776	68%	0.681	S	S	*	*			trans	-65	112.2	162.7	179.8	0	0	0	0	105.8	Q33 A37	Q33-V35 VanDerWaalsContact C-N 3.29Å; Q33-V35 PolarHBondContact O-N 3Å; V35-A37 PolarHBondContact O-N 3.23Å; V35-A37 VanDerWaalsContact O-N 3.07Å
36	A	39.6	Very low	43.8	Very low	90 Å²	90	108.7 Å²	108.7	74%	0.744	66%	0.664	S	S	*	*			trans	-53.9	118.4	171.4	0	0	0	0	0	107.9	L34 G38	L34-A36 PolarHBondContact O-N 2.72Å; L34-A36 VanDerWaalsContact O-N 3.16Å; A36-G38 PolarHBondContact O-N 3.02Å
37	A	42.1	Very low	45.2	Very low	102 Å²	102	104 Å²	104	84%	0.843	64%	0.638	S	S	*	*			trans	-61.8	102.1	175.9	0	0	0	0	0	107.9	V35	V35-A37 PolarHBondContact O-N 3.23Å; V35-A37 VanDerWaalsContact O-N 3.07Å
38	G	51.3	Low	47.1	Very low	52 Å²	52	103.4 Å²	103.4	54%	0.536	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-59	171.2	165.1	0	0	0	0	0	110.5	A36	A36-G38 PolarHBondContact O-N 3.02Å
39	P	54.2	Low	49.6	Very low	83 Å²	83	104.4 Å²	104.4	54%	0.539	62%	0.619	S	S	.	*	S	Bend	trans	-53.8	150.6	177.5	27.1	-35	0	0	0	110.5	R41	P39-R41 PolarHBondContact O-N 2.68Å; P39-R41 VanDerWaalsContact O-N 3.13Å
40	P	49.7	Very low	52.1	Low	108 Å²	108	101.3 Å²	101.3	70%	0.701	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-54.5	122.9	-169	22	-33	0	0	0	110.6	T42 Q347	P40-T42 PolarHBondContact O-N 2.78Å; P40-Q347 PolarHBondContact O-NE2 3.5Å
41	R	52.5	Low	54.8	Low	159 Å²	159	96.2 Å²	96.2	60%	0.6	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-67.9	127.3	178.1	-62	-167.4	-67.8	179.1	-0.9	108.7	P39 L45 Q46	P39-R41 PolarHBondContact O-N 2.68Å; P39-R41 VanDerWaalsContact O-N 3.13Å; R41-L45 PolarHBondContact NH1-O 2.86Å; R41-Q46 PolarHBondContact NH1-O 3.24Å; R41-Q46 VanDerWaalsContact NH1-O 3.16Å
42	T	55.1	Low	57	Low	94 Å²	94	90.4 Å²	90.4	58%	0.577	53%	0.525	S	S	*	.			trans	-101.5	-17.8	177.7	44.3	0	0	0	0	112.3	P40 E345	P40-T42 PolarHBondContact O-N 2.78Å; T42-E345 WeakPolarHBondContact CA-OE1 3.28Å; T42-E345 PolarHBondContact N-OE1 2.97Å; T42-E345 PolarHBondContact OG1-OE1 2.71Å
43	S	57.3	Low	59.4	Low	12 Å²	12	85.9 Å²	85.9	8%	0.084	51%	0.513	C	S	.	.	S	Bend	trans	-93.5	153.7	175.4	83.3	0	0	0	0	112.1	L45 E329 E345	S43-L45 PolarHBondContact O-N 3.07Å; S43-L45 WeakPolarHBondContact OG-CB 3.28Å; S43-L45 PolarHBondContact OG-N 2.87Å; S43-E329 WeakPolarHBondContact CA-OE2 3.41Å; S43-E329 VanDerWaalsContact CB-OE2 3.28Å; S43-E329 WeakPolarHBondContact CB-OE2 3.45Å; S43-E345 WeakPolarHBondContact CB-OE1 3.45Å; S43-E345 PolarHBondContact N-OE1 3.08Å; S43-E345 PolarHBondContact OG-OE1 3.46Å; S43-E345 PolarHBondContact OG-OE2 3.05Å
44	S	59.8	Low	61.8	Low	72 Å²	72	79.2 Å²	79.2	50%	0.503	50%	0.495	S	S	.	.			trans	-85.7	15.4	175.4	59.7	0	0	0	0	113.4	Y86 E329	S44-Y86 VanDerWaalsContact OG-CD1 3.29Å; S44-Y86 WeakPolarHBondContact OG-CD1 3.34Å; S44-Y86 WeakPolarHBondContact OG-CE1 3.34Å; S44-E329 WeakPolarHBondContact CB-OE1 3.29Å; S44-E329 PolarHBondContact N-OE1 2.81Å; S44-E329 VanDerWaalsContact N-OE1 3.1Å; S44-E329 PolarHBondContact N-OE2 3.41Å; S44-E329 PolarHBondContact OG-OE1 2.84Å
45	L	59	Low	64.4	Low	6 Å²	6	71.4 Å²	71.4	3%	0.031	45%	0.454	C	S	.	.			trans	-65.6	139.7	176.1	-77.6	161.3	0	0	0	112.8	R41 S43 A47 M50 V331 M343 E345	R41-L45 PolarHBondContact NH1-O 2.86Å; S43-L45 PolarHBondContact O-N 3.07Å; S43-L45 WeakPolarHBondContact OG-CB 3.28Å; S43-L45 PolarHBondContact OG-N 2.87Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.86Å; L45-M50 HydrophobicContact CD2-CG 4.37Å; L45-V331 HydrophobicContact CD1-CB 4.26Å; L45-V331 HydrophobicContact CD1-CG1 3.8Å; L45-V331 HydrophobicContact CD1-CG2 3.42Å; L45-V331 VanDerWaalsContact CD1-CG2 3.42Å; L45-V331 HydrophobicContact CG-CG2 4.32Å; L45-M343 HydrophobicContact CD1-CG 4.49Å; L45-M343 HydrophobicContact CD2-CG 4.5Å; L45-M343 HydrophobicContact CD2-SD 3.7Å; L45-E345 HydrophobicContact CD1-CB 4.38Å
46	Q	56.2	Low	66.6	Low	111 Å²	111	72.6 Å²	72.6	52%	0.519	45%	0.451	S	S	.	.	S	Bend	trans	-63.9	-37.4	179.6	-169.2	163.4	-33.3	0	0	111.8	R41 G87 D88	R41-Q46 PolarHBondContact NH1-O 3.24Å; R41-Q46 VanDerWaalsContact NH1-O 3.16Å; Q46-G87 PolarHBondContact OE1-O 3.09Å; Q46-D88 PolarHBondContact NE2-OD1 2.93Å; Q46-D88 PolarHBondContact OE1-OD1 3.29Å
47	A	60.2	Low	69	Low	29 Å²	29	68.7 Å²	68.7	24%	0.24	42%	0.42	C	S	.	.	S	Bend	trans	-131.3	153.1	175.9	0	0	0	0	0	111.4	L45 I49 M50	L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.86Å; A47-I49 PolarHBondContact O-N 3.08Å; A47-M50 HydrophobicContact CB-CG 4.39Å; A47-M50 HydrophobicContact CB-SD 3.65Å
48	P	66.9	Low	71.5	Confident	83 Å²	83	67.1 Å²	67.1	54%	0.539	40%	0.395	S	S	.	.	S	Bend	trans	-63.2	-24.3	179.4	25	-34.6	0	0	0	113.4	E345	P48-E345 PolarHBondContact O-N 2.67Å
49	I	81.3	Confident	73.5	Confident	112 Å²	112	64.6 Å²	64.6	57%	0.574	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	123.6	173.2	-55.9	172.2	0	0	0	107.5	A47 Y342 M343	A47-I49 PolarHBondContact O-N 3.08Å; I49-Y342 HydrophobicContact CG2-CD1 3.95Å; I49-M343 CarbonylContact C-O 3.59Å; I49-M343 WeakPolarHBondContact CA-O 3.33Å
50	M	84.4	Confident	75.4	Confident	31 Å²	31	62.7 Å²	62.7	15%	0.153	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.7	173	-70.6	-62.3	-65.5	0	0	109.7	L45 A47 C89 Y342 M343	L45-M50 HydrophobicContact CD2-CG 4.37Å; A47-M50 HydrophobicContact CB-CG 4.39Å; A47-M50 HydrophobicContact CB-SD 3.65Å; M50-C89 HydrophobicContact CE-CB 4.13Å; M50-Y342 WeakPolarHBondContact O-CA 3.06Å; M50-M343 HydrophobicContact CB-CB 4.28Å; M50-M343 PolarHBondContact N-O 3.15Å; M50-M343 PolarHBondContact O-N 2.84Å
51	L	89.5	Confident	77.4	Confident	79 Å²	79	57.6 Å²	57.6	41%	0.414	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.7	173.9	174.4	72.9	0	0	0	108.3	R340 Y342	L51-R340 HydrophobicContact CD1-CB 3.83Å; L51-R340 HydrophobicContact CD1-CG 3.99Å; L51-Y342 HydrophobicContact CB-CD1 4.37Å; L51-Y342 HydrophobicContact CB-CE1 4.2Å; L51-Y342 HydrophobicContact CD1-CD1 3.88Å; L51-Y342 HydrophobicContact CD1-CE1 3.42Å; L51-Y342 VanDerWaalsContact CD1-CE1 3.42Å; L51-Y342 HydrophobicContact CD1-CE2 4.27Å; L51-Y342 HydrophobicContact CD1-CG 4.49Å; L51-Y342 HydrophobicContact CG-CE1 4.33Å
52	M	86.6	Confident	79.4	Confident	3 Å²	3	50 Å²	50	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.7	171.4	-59.5	169.2	-70.6	0	0	109	L71 W83 C89 L333 L341 M343	M52-L71 HydrophobicContact CE-CD2 3.81Å; M52-L71 HydrophobicContact SD-CD2 4.23Å; M52-W83 HydrophobicContact CB-CD2 4.36Å; M52-W83 HydrophobicContact CB-CE3 4.01Å; M52-W83 HydrophobicContact CB-CH2 4.09Å; M52-W83 HydrophobicContact CB-CZ2 4.42Å; M52-W83 HydrophobicContact CB-CZ3 3.87Å; M52-W83 HydrophobicContact CG-CD2 4.5Å; M52-W83 HydrophobicContact CG-CE3 4.1Å; M52-W83 HydrophobicContact CG-CZ3 4.37Å; M52-W83 HydrophobicContact SD-CB 4.05Å; M52-W83 HydrophobicContact SD-CD2 3.98Å; M52-W83 HydrophobicContact SD-CE3 4.08Å; M52-W83 HydrophobicContact SD-CG 3.98Å; M52-C89 HydrophobicContact CG-CB 3.93Å; M52-C89 HydrophobicContact SD-CB 4.1Å; M52-L333 HydrophobicContact CE-CD1 3.47Å; M52-L333 VanDerWaalsContact CE-CD1 3.47Å; M52-L341 HydrophobicContact CB-CB 4.16Å; M52-L341 HydrophobicContact CB-CD1 4.5Å; M52-L341 HydrophobicContact CE-CB 3.6Å; M52-L341 HydrophobicContact CE-CD1 4.01Å; M52-L341 HydrophobicContact CE-CG 4.45Å; M52-L341 PolarHBondContact N-O 2.95Å; M52-L341 PolarHBondContact O-N 3.42Å; M52-M343 HydrophobicContact CE-CB 4.32Å; M52-M343 HydrophobicContact CE-CE 3.81Å; M52-M343 HydrophobicContact SD-CE 4.25Å
53	S	87.1	Confident	81.3	Confident	85 Å²	85	46.8 Å²	46.8	59%	0.594	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	136.6	177.6	59.2	0	0	0	0	109.8
54	G	85	Confident	83	Confident	48 Å²	48	46.9 Å²	46.9	50%	0.495	27%	0.267	S	S	.	.			trans	166.7	-16.9	-178.8	0	0	0	0	0	113.7
55	H	90.4	Very high	84.6	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.056	25%	0.248	C	C	.	.			trans	-70.9	135.8	168.7	-70.3	-81.2	0	0	0	110.5	G57 V59 S73 D77 K339	H55-G57 VanDerWaalsContact C-N 3.3Å; H55-V59 HydrophobicContact CB-CG2 4Å; H55-S73 PolarHBondContact CE1-OG 2.76Å; H55-S73 PolarHBondContact NE2-OG 3.07Å; H55-D77 VanDerWaalsContact C-OD2 3.3Å; H55-D77 VanDerWaalsContact CA-OD2 3.28Å; H55-D77 WeakPolarHBondContact CA-OD2 3.46Å; H55-D77 VanDerWaalsContact CB-OD2 3.28Å; H55-D77 WeakPolarHBondContact CB-OD2 3.37Å; H55-D77 IonicContact CG-OD2 3.86Å; H55-D77 IonicContact ND1-OD2 3.6Å; H55-K339 HydrophobicContact CB-CB 4.37Å
56	E	90.3	Very high	86	Confident	154 Å²	154	46.7 Å²	46.7	72%	0.72	26%	0.262	S	S	*	.	S	Bend	trans	-79.1	-16.6	175.1	-62.9	-173.5	166.3	0	0	112	D77 K339	E56-D77 VanDerWaalsContact C-OD1 3.25Å; E56-D77 PolarHBondContact N-OD2 3.25Å; E56-K339 WeakPolarHBondContact O-CD 3.48Å; E56-K339 WeakPolarHBondContact O-CE 3.43Å; E56-K339 PolarHBondContact O-NZ 3.08Å
57	G	91	Very high	87.5	Confident	8 Å²	8	45.1 Å²	45.1	8%	0.082	26%	0.257	C	S	.	.	S	Bend	trans	-152.7	-170.2	-169	0	0	0	0	0	112.7	H55 V59 D77 K339	H55-G57 VanDerWaalsContact C-N 3.3Å; G57-V59 PolarHBondContact O-N 2.74Å; G57-D77 WeakPolarHBondContact CA-OD1 3.37Å; G57-D77 PolarHBondContact N-OD1 3.42Å; G57-D77 PolarHBondContact N-OD2 3.04Å; G57-K339 WeakPolarHBondContact O-CA 3.36Å; G57-K339 VanDerWaalsContact O-CB 3.31Å; G57-K339 WeakPolarHBondContact O-CB 3.18Å; G57-K339 WeakPolarHBondContact O-CG 3.36Å
58	E	93	Very high	88.7	Confident	68 Å²	68	43.7 Å²	43.7	32%	0.318	25%	0.246	S	C	.	.			trans	-66.2	132.5	-169.9	-58.2	-171.4	-160.8	0	0	111.7	G75 F76 S337	E58-G75 CarbonylContact O-C 3.58Å; E58-G75 WeakPolarHBondContact O-CA 3.38Å; E58-F76 HydrophobicContact CB-CB 4.35Å; E58-F76 PolarHBondContact O-N 3.02Å; E58-S337 VanDerWaalsContact OE2-CB 3.31Å; E58-S337 WeakPolarHBondContact OE2-CB 3.41Å; E58-S337 PolarHBondContact OE2-OG 3.09Å
59	V	94.6	Very high	89.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.7	174.8	-174	0	0	0	0	108.5	H55 G57 S74 N321 S336 L341	H55-V59 HydrophobicContact CB-CG2 4Å; G57-V59 PolarHBondContact O-N 2.74Å; V59-S74 WeakPolarHBondContact CG1-O 3.49Å; V59-N321 WeakPolarHBondContact O-CB 3.42Å; V59-N321 PolarHBondContact O-ND2 3.47Å; V59-S336 PolarHBondContact N-O 3.14Å; V59-S336 VanDerWaalsContact N-O 3.15Å; V59-L341 HydrophobicContact CB-CD2 4.4Å; V59-L341 HydrophobicContact CG1-CD2 3.77Å; V59-L341 HydrophobicContact CG2-CD2 4.39Å
60	Y	93.8	Very high	90.2	Very high	43 Å²	43	37.3 Å²	37.3	17%	0.169	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-36.3	178.4	-70.5	-56	0	0	0	112.2	S74 F76 A101 M103	Y60-S74 PolarHBondContact N-O 2.81Å; Y60-F76 HydrophobicContact CE2-CB 3.89Å; Y60-F76 HydrophobicContact CE2-CD2 4.17Å; Y60-A101 HydrophobicContact CE2-CB 4.15Å; Y60-M103 HydrophobicContact CD2-CE 3.29Å; Y60-M103 HydrophobicContact CE2-CE 3.28Å; Y60-M103 HydrophobicContact CG-CE 4.06Å
61	C	92.3	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.2	-175.3	63.2	0	0	0	0	113.3	S73 S74 L105 E322	C61-S73 WeakPolarHBondContact O-CA 3.45Å; C61-S74 PolarHBondContact N-O 3.29Å; C61-S74 PolarHBondContact O-N 3.49Å; C61-S74 VanDerWaalsContact O-O 3.09Å; C61-S74 PolarHBondContact SG-OG 3.11Å; C61-L105 VanDerWaalsContact SG-CG 3.55Å; C61-L105 PolarHBondContact SG-N 3.01Å; C61-L105 VanDerWaalsContact SG-N 3.42Å; C61-E322 WeakPolarHBondContact CA-OE2 3.28Å; C61-E322 WeakPolarHBondContact CB-OE2 3.31Å
62	C	93.8	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	135.6	-178.9	60.3	0	0	0	0	109.1	A72 E322 V324 L333 L341	C62-A72 CarbonylContact C-O 3.58Å; C62-A72 WeakPolarHBondContact CA-O 3.48Å; C62-E322 PolarHBondContact N-OE2 3.26Å; C62-V324 WeakPolarHBondContact O-CG2 3.31Å; C62-L333 HydrophobicContact CB-CD2 3.47Å; C62-L333 VanDerWaalsContact CB-CD2 3.47Å; C62-L333 HydrophobicContact CB-CG 4.27Å; C62-L333 VanDerWaalsContact SG-CD2 3.55Å; C62-L341 HydrophobicContact CB-CD2 4.03Å
63	K	94.4	Very high	91.1	Very high	26 Å²	26	31.9 Å²	31.9	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138	-178.4	-67.8	-63.1	-176.4	-162.8	0	110.7	L71 A72 L105 H106 Y107 E322 V324	K63-L71 VanDerWaalsContact O-CD1 3.25Å; K63-L71 WeakPolarHBondContact O-CD1 3.27Å; K63-A72 PolarHBondContact N-O 3.31Å; K63-A72 PolarHBondContact O-N 3.34Å; K63-L105 WeakPolarHBondContact CE-O 3.5Å; K63-L105 HydrophobicContact CG-CB 4.4Å; K63-L105 WeakPolarHBondContact CG-O 3.39Å; K63-H106 VanDerWaalsContact CE-CE1 3.42Å; K63-H106 WeakPolarHBondContact CE-CE1 3.33Å; K63-H106 WeakPolarHBondContact CE-ND1 3.23Å; K63-Y107 HydrophobicContact CB-CD2 4.02Å; K63-Y107 HydrophobicContact CB-CE2 4.33Å; K63-E322 VanDerWaalsContact CE-OE1 3.25Å; K63-E322 WeakPolarHBondContact CE-OE1 3.22Å; K63-E322 IonicContact NZ-OE1 3.28Å; K63-E322 PolarHBondContact NZ-OE1 3.47Å; K63-V324 HydrophobicContact CD-CG2 4.22Å
64	F	93.8	Very high	91.4	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.066	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.2	164.7	-71.8	-76.7	0	0	0	110.6	L71 V85 Y107 V324 F325 H326 V331 L333 M343	F64-L71 HydrophobicContact CB-CD1 4.42Å; F64-L71 HydrophobicContact CD1-CD1 3.44Å; F64-L71 VanDerWaalsContact CD1-CD1 3.44Å; F64-L71 HydrophobicContact CD2-CD1 4.18Å; F64-L71 HydrophobicContact CE1-CD1 3.6Å; F64-L71 HydrophobicContact CE2-CD1 4.32Å; F64-L71 HydrophobicContact CG-CD1 3.76Å; F64-L71 HydrophobicContact CZ-CD1 4.05Å; F64-V85 HydrophobicContact CD1-CG2 3.85Å; F64-V85 HydrophobicContact CE1-CG1 4.28Å; F64-V85 HydrophobicContact CE1-CG2 3.69Å; F64-Y107 VanDerWaalsContact O-CD2 3.29Å; F64-Y107 WeakPolarHBondContact O-CD2 3.13Å; F64-V324 HydrophobicContact CD2-CB 4.41Å; F64-V324 HydrophobicContact CD2-CG1 3.93Å; F64-F325 WeakPolarHBondContact CD2-O 3.5Å; F64-H326 AromaticContact CD1-CD2 3.79Å; F64-H326 HydrophobicContact CD2-CB 4.2Å; F64-H326 HydrophobicContact CE1-CB 4.36Å; F64-H326 AromaticContact CE1-CD2 3.78Å; F64-H326 HydrophobicContact CE2-CB 3.97Å; F64-H326 HydrophobicContact CG-CB 4.49Å; F64-H326 HydrophobicContact CZ-CB 4.05Å; F64-V331 HydrophobicContact CZ-CG1 4.34Å; F64-L333 HydrophobicContact CD2-CB 4.5Å; F64-L333 HydrophobicContact CE2-CB 3.48Å; F64-L333 VanDerWaalsContact CE2-CB 3.48Å; F64-L333 HydrophobicContact CE2-CD2 4.2Å; F64-L333 HydrophobicContact CE2-CG 4.5Å; F64-L333 HydrophobicContact CZ-CB 3.66Å; F64-L333 HydrophobicContact CZ-CD2 4.39Å; F64-M343 HydrophobicContact CE1-CE 3.9Å; F64-M343 HydrophobicContact CZ-CE 4.09Å
65	H	92.3	Very high	91.7	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.102	13%	0.134	C	C	.	.			trans	-65.2	146.2	162.5	-173.3	-81.9	0	0	0	108.8	N67 G68 T70 Y107 G111	H65-N67 VanDerWaalsContact CE1-CG 3.49Å; H65-N67 PolarHBondContact CE1-ND2 3.27Å; H65-N67 PolarHBondContact ND1-N 3.42Å; H65-N67 VanDerWaalsContact ND1-N 3.18Å; H65-N67 PolarHBondContact ND1-ND2 2.98Å; H65-N67 PolarHBondContact ND1-OD1 3.12Å; H65-N67 PolarHBondContact O-N 3.3Å; H65-N67 VanDerWaalsContact O-N 3.09Å; H65-G68 PolarHBondContact O-N 2.91Å; H65-T70 VanDerWaalsContact CB-O 3.24Å; H65-T70 WeakPolarHBondContact CB-O 3.5Å; H65-T70 WeakPolarHBondContact CB-OG1 3.3Å; H65-T70 PolarHBondContact N-O 3.27Å; H65-Y107 HydrophobicContact CB-CE1 4.34Å; H65-Y107 HydrophobicContact CB-CE2 4.2Å; H65-Y107 AromaticContact CD2-CD1 3.87Å; H65-Y107 AromaticContact CD2-CE1 3.5Å; H65-G111 PolarHBondContact CD2-O 3.25Å; H65-G111 WeakPolarHBondContact NE2-CA 3.29Å; H65-G111 PolarHBondContact NE2-O 3.41Å; H65-G111 VanDerWaalsContact NE2-O 3.17Å
66	P	89.3	Confident	91.9	Very high	52 Å²	52	30.1 Å²	30.1	34%	0.338	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26	-178.5	-28.1	34.9	0	0	0	115.4	G68 N108 T109 P327	P66-G68 VanDerWaalsContact C-N 3.29Å; P66-N108 VanDerWaalsContact CG-O 3.25Å; P66-N108 WeakPolarHBondContact CG-O 3.34Å; P66-T109 WeakPolarHBondContact CB-O 3.45Å; P66-T109 WeakPolarHBondContact CG-O 3.17Å; P66-P327 WeakPolarHBondContact O-CG 3.33Å
67	N	87.8	Confident	91.9	Very high	77 Å²	77	24 Å²	24	41%	0.412	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-7.3	173.7	74.9	-3.2	0	0	0	114.3	H65 A69	H65-N67 VanDerWaalsContact CE1-CG 3.49Å; H65-N67 PolarHBondContact CE1-ND2 3.27Å; H65-N67 PolarHBondContact ND1-N 3.42Å; H65-N67 VanDerWaalsContact ND1-N 3.18Å; H65-N67 PolarHBondContact ND1-ND2 2.98Å; H65-N67 PolarHBondContact ND1-OD1 3.12Å; H65-N67 PolarHBondContact O-N 3.3Å; H65-N67 VanDerWaalsContact O-N 3.09Å; N67-A69 PolarHBondContact O-N 2.8Å; N67-A69 PolarHBondContact OD1-N 2.99Å
68	G	85.9	Confident	91.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	73.7	-17.3	-177.9	0	0	0	0	0	116.7	H65 P66 T70 V85 H326	H65-G68 PolarHBondContact O-N 2.91Å; P66-G68 VanDerWaalsContact C-N 3.29Å; G68-T70 PolarHBondContact O-N 2.95Å; G68-V85 WeakPolarHBondContact O-CB 3.28Å; G68-V85 WeakPolarHBondContact O-CG2 3.23Å; G68-H326 WeakPolarHBondContact CA-NE2 3.26Å; G68-H326 PolarHBondContact O-NE2 3.49Å
69	A	87.9	Confident	91.9	Very high	35 Å²	35	28.6 Å²	28.6	29%	0.289	14%	0.141	S	C	.	.	S	Bend	trans	-74.3	-29	-174.2	0	0	0	0	0	114.1	N67 V85 Y86	N67-A69 PolarHBondContact O-N 2.8Å; N67-A69 PolarHBondContact OD1-N 2.99Å; A69-V85 WeakPolarHBondContact O-CB 3.46Å; A69-V85 PolarHBondContact O-N 2.64Å; A69-Y86 HydrophobicContact CB-CD2 4.39Å; A69-Y86 HydrophobicContact CB-CE2 4.2Å
70	T	90.4	Very high	91.9	Very high	25 Å²	25	28.6 Å²	28.6	15%	0.153	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	159.6	-178.3	60.3	0	0	0	0	112.1	H65 G68 W83 F92	H65-T70 VanDerWaalsContact CB-O 3.24Å; H65-T70 WeakPolarHBondContact CB-O 3.5Å; H65-T70 WeakPolarHBondContact CB-OG1 3.3Å; H65-T70 PolarHBondContact N-O 3.27Å; G68-T70 PolarHBondContact O-N 2.95Å; T70-W83 CarbonylContact C-O 3.42Å; T70-W83 WeakPolarHBondContact CA-O 3.31Å; T70-F92 HydrophobicContact CG2-CE1 4Å; T70-F92 HydrophobicContact CG2-CZ 4.12Å
71	L	92.4	Very high	91.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.6	-177.2	-175.4	82.2	0	0	0	110	M52 K63 F64 M82 W83 V85 L333 L341 M343	M52-L71 HydrophobicContact CE-CD2 3.81Å; M52-L71 HydrophobicContact SD-CD2 4.23Å; K63-L71 VanDerWaalsContact O-CD1 3.25Å; K63-L71 WeakPolarHBondContact O-CD1 3.27Å; F64-L71 HydrophobicContact CB-CD1 4.42Å; F64-L71 HydrophobicContact CD1-CD1 3.44Å; F64-L71 VanDerWaalsContact CD1-CD1 3.44Å; F64-L71 HydrophobicContact CD2-CD1 4.18Å; F64-L71 HydrophobicContact CE1-CD1 3.6Å; F64-L71 HydrophobicContact CE2-CD1 4.32Å; F64-L71 HydrophobicContact CG-CD1 3.76Å; F64-L71 HydrophobicContact CZ-CD1 4.05Å; L71-M82 CarbonylContact O-C 3.53Å; L71-M82 VanDerWaalsContact O-CA 3.25Å; L71-M82 WeakPolarHBondContact O-CA 3.33Å; L71-W83 HydrophobicContact CB-CB 4.17Å; L71-W83 HydrophobicContact CD2-CB 4.34Å; L71-W83 HydrophobicContact CD2-CG 4.29Å; L71-W83 PolarHBondContact N-O 2.71Å; L71-W83 PolarHBondContact O-N 2.95Å; L71-V85 HydrophobicContact CB-CG2 4.14Å; L71-L333 HydrophobicContact CD1-CD1 4.38Å; L71-L333 HydrophobicContact CD1-CD2 3.17Å; L71-L333 HydrophobicContact CD1-CG 4.31Å; L71-L333 HydrophobicContact CD2-CD1 3.74Å; L71-L333 HydrophobicContact CD2-CD2 3.79Å; L71-L333 HydrophobicContact CD2-CG 4.41Å; L71-L333 HydrophobicContact CG-CD2 3.97Å; L71-L341 HydrophobicContact CD2-CD1 4.38Å; L71-M343 HydrophobicContact CD2-CE 4.47Å
72	A	93.6	Very high	91.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.5	165.1	0	0	0	0	0	110.7	C62 K63 I80 M82 L105 Y107 L114	C62-A72 CarbonylContact C-O 3.58Å; C62-A72 WeakPolarHBondContact CA-O 3.48Å; K63-A72 PolarHBondContact N-O 3.31Å; K63-A72 PolarHBondContact O-N 3.34Å; A72-I80 HydrophobicContact CB-CG2 4.32Å; A72-M82 HydrophobicContact CB-SD 3.63Å; A72-L105 HydrophobicContact CB-CD1 4.22Å; A72-Y107 HydrophobicContact CB-CE2 3.66Å; A72-Y107 WeakPolarHBondContact CB-OH 3.39Å; A72-L114 HydrophobicContact CB-CD1 4.13Å; A72-L114 HydrophobicContact CB-CD2 4.04Å
73	S	94	Very high	91.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.3	173.4	61.6	0	0	0	0	110.4	H55 C61 I80 L81 W83	H55-S73 PolarHBondContact CE1-OG 2.76Å; H55-S73 PolarHBondContact NE2-OG 3.07Å; C61-S73 WeakPolarHBondContact O-CA 3.45Å; S73-I80 CarbonylContact O-C 3.57Å; S73-I80 WeakPolarHBondContact O-CA 3.47Å; S73-L81 PolarHBondContact N-O 3.47Å; S73-L81 PolarHBondContact O-N 2.97Å; S73-L81 PolarHBondContact OG-O 3.3Å; S73-W83 PolarHBondContact OG-NE1 2.9Å
74	S	93.4	Very high	91.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	167.8	174.3	71	0	0	0	0	112.4	V59 Y60 C61 L79 V102 L105	V59-S74 WeakPolarHBondContact CG1-O 3.49Å; Y60-S74 PolarHBondContact N-O 2.81Å; C61-S74 PolarHBondContact N-O 3.29Å; C61-S74 PolarHBondContact O-N 3.49Å; C61-S74 VanDerWaalsContact O-O 3.09Å; C61-S74 PolarHBondContact SG-OG 3.11Å; S74-L79 VanDerWaalsContact CB-O 3.29Å; S74-L79 WeakPolarHBondContact CB-O 3.36Å; S74-V102 VanDerWaalsContact OG-CB 3.3Å; S74-V102 WeakPolarHBondContact OG-CB 3.21Å; S74-V102 WeakPolarHBondContact OG-CG1 3.4Å; S74-L105 VanDerWaalsContact CB-CD1 3.49Å; S74-L105 WeakPolarHBondContact OG-CD1 3.25Å; S74-L105 VanDerWaalsContact OG-CG 3.25Å; S74-L105 WeakPolarHBondContact OG-CG 3.15Å
75	G	91.7	Very high	91.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	-147.3	-173.1	0	0	0	0	0	114	E58 D77 R78 V102	E58-G75 CarbonylContact O-C 3.58Å; E58-G75 WeakPolarHBondContact O-CA 3.38Å; G75-D77 PolarHBondContact O-N 3.02Å; G75-R78 PolarHBondContact O-N 3.18Å; G75-V102 PolarHBondContact O-N 2.77Å
76	F	93.6	Very high	90.6	Very high	108 Å²	108	31.2 Å²	31.2	47%	0.474	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.6	-179	-168.6	-104.3	0	0	0	113.4	E58 Y60 R78 A101	E58-F76 HydrophobicContact CB-CB 4.35Å; E58-F76 PolarHBondContact O-N 3.02Å; Y60-F76 HydrophobicContact CE2-CB 3.89Å; Y60-F76 HydrophobicContact CE2-CD2 4.17Å; F76-R78 WeakPolarHBondContact O-CG 3.47Å; F76-R78 PolarHBondContact O-N 2.59Å; F76-R78 VanDerWaalsContact O-N 3.08Å; F76-A101 HydrophobicContact CD2-CB 4.03Å
77	D	90.6	Very high	90.2	Very high	26 Å²	26	30.4 Å²	30.4	14%	0.139	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.4	-176.8	-59.1	-25.9	0	0	0	114	H55 E56 G57 G75 L79	H55-D77 VanDerWaalsContact C-OD2 3.3Å; H55-D77 VanDerWaalsContact CA-OD2 3.28Å; H55-D77 WeakPolarHBondContact CA-OD2 3.46Å; H55-D77 VanDerWaalsContact CB-OD2 3.28Å; H55-D77 WeakPolarHBondContact CB-OD2 3.37Å; H55-D77 IonicContact CG-OD2 3.86Å; H55-D77 IonicContact ND1-OD2 3.6Å; E56-D77 VanDerWaalsContact C-OD1 3.25Å; E56-D77 PolarHBondContact N-OD2 3.25Å; G57-D77 WeakPolarHBondContact CA-OD1 3.37Å; G57-D77 PolarHBondContact N-OD1 3.42Å; G57-D77 PolarHBondContact N-OD2 3.04Å; G75-D77 PolarHBondContact O-N 3.02Å; D77-L79 HydrophobicContact CB-CB 4.38Å; D77-L79 HydrophobicContact CB-CG 4.46Å; D77-L79 WeakPolarHBondContact O-CG 3.31Å; D77-L79 PolarHBondContact O-N 3.4Å
78	R	92.2	Very high	89.5	Confident	129 Å²	129	31.8 Å²	31.8	49%	0.487	16%	0.163	S	C	.	.	S	Bend	trans	64.8	7.5	-178.8	-37.1	178.7	-175.3	173.5	2.4	112.8	G75 F76 S99 G100	G75-R78 PolarHBondContact O-N 3.18Å; F76-R78 WeakPolarHBondContact O-CG 3.47Å; F76-R78 PolarHBondContact O-N 2.59Å; F76-R78 VanDerWaalsContact O-N 3.08Å; R78-S99 WeakPolarHBondContact CD-O 3.37Å; R78-S99 PolarHBondContact NH1-O 3.01Å; R78-G100 WeakPolarHBondContact CA-O 3.3Å; R78-G100 VanDerWaalsContact CB-O 3.29Å; R78-G100 WeakPolarHBondContact CB-O 3.29Å; R78-G100 WeakPolarHBondContact CG-O 3.32Å
79	L	92.4	Very high	89.1	Confident	42 Å²	42	32.1 Å²	32.1	22%	0.22	17%	0.165	C	C	.	.			trans	-105	148.8	177.6	-61.8	179	0	0	0	109.3	S74 D77 L81 T94 K96	S74-L79 VanDerWaalsContact CB-O 3.29Å; S74-L79 WeakPolarHBondContact CB-O 3.36Å; D77-L79 HydrophobicContact CB-CB 4.38Å; D77-L79 HydrophobicContact CB-CG 4.46Å; D77-L79 WeakPolarHBondContact O-CG 3.31Å; D77-L79 PolarHBondContact O-N 3.4Å; L79-L81 HydrophobicContact CB-CD2 4.25Å; L79-T94 HydrophobicContact CB-CG2 4.42Å; L79-T94 HydrophobicContact CD1-CG2 4.28Å; L79-T94 HydrophobicContact CD2-CG2 4.11Å; L79-K96 HydrophobicContact CD2-CB 4.43Å; L79-K96 HydrophobicContact CD2-CD 4.19Å; L79-K96 HydrophobicContact CD2-CG 3.64Å
80	I	94	Very high	88.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.9	164.9	-55	161.3	0	0	0	106.4	A72 S73 M82 T94 L95 V102 L105 L114 W126	A72-I80 HydrophobicContact CB-CG2 4.32Å; S73-I80 CarbonylContact O-C 3.57Å; S73-I80 WeakPolarHBondContact O-CA 3.47Å; I80-M82 HydrophobicContact CG2-SD 4.44Å; I80-T94 WeakPolarHBondContact O-CA 3.47Å; I80-L95 HydrophobicContact CB-CB 4.02Å; I80-L95 HydrophobicContact CB-CD1 3.99Å; I80-L95 HydrophobicContact CB-CG 4.18Å; I80-L95 HydrophobicContact CD1-CB 4.43Å; I80-L95 HydrophobicContact CD1-CD1 4.12Å; I80-L95 HydrophobicContact CG2-CD1 3.89Å; I80-L95 HydrophobicContact CG2-CG 4.41Å; I80-L95 PolarHBondContact N-O 2.88Å; I80-L95 PolarHBondContact O-N 3.25Å; I80-V102 HydrophobicContact CG1-CG2 4.35Å; I80-L105 HydrophobicContact CD1-CD2 3.82Å; I80-L105 HydrophobicContact CG1-CD2 4.1Å; I80-L105 HydrophobicContact CG2-CD1 3.94Å; I80-L105 HydrophobicContact CG2-CD2 4.3Å; I80-L114 HydrophobicContact CD1-CD2 4.49Å; I80-L114 HydrophobicContact CG2-CD2 3.96Å; I80-W126 HydrophobicContact CD1-CZ2 4.34Å
81	L	93.6	Very high	88.6	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.6	178	-54.3	-173.9	0	0	0	109.2	S73 L79 W83 T94	S73-L81 PolarHBondContact N-O 3.47Å; S73-L81 PolarHBondContact O-N 2.97Å; S73-L81 PolarHBondContact OG-O 3.3Å; L79-L81 HydrophobicContact CB-CD2 4.25Å; L81-W83 HydrophobicContact CB-CZ2 4.01Å; L81-W83 HydrophobicContact CD1-CH2 4.43Å; L81-W83 HydrophobicContact CD1-CZ2 3.71Å; L81-T94 HydrophobicContact CD2-CG2 3.69Å
82	M	92.8	Very high	88.4	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.7	-179.9	-57.5	-73.5	-68.7	0	0	109.4	L71 A72 I80 N91 F92 A93 L95 Y107 L114	L71-M82 CarbonylContact O-C 3.53Å; L71-M82 VanDerWaalsContact O-CA 3.25Å; L71-M82 WeakPolarHBondContact O-CA 3.33Å; A72-M82 HydrophobicContact CB-SD 3.63Å; I80-M82 HydrophobicContact CG2-SD 4.44Å; M82-N91 WeakPolarHBondContact O-CA 3.48Å; M82-N91 PolarHBondContact O-OD1 2.79Å; M82-F92 HydrophobicContact CB-CD1 4.38Å; M82-F92 HydrophobicContact CB-CE1 3.79Å; M82-F92 HydrophobicContact CB-CE2 4.21Å; M82-F92 HydrophobicContact CB-CZ 3.7Å; M82-F92 HydrophobicContact CE-CZ 4.26Å; M82-F92 WeakPolarHBondContact O-CD1 3.47Å; M82-F92 PolarHBondContact O-N 2.84Å; M82-F92 VanDerWaalsContact O-N 3.09Å; M82-A93 HydrophobicContact CB-CB 4.02Å; M82-A93 WeakPolarHBondContact CB-O 3.49Å; M82-A93 HydrophobicContact CG-CB 4.17Å; M82-A93 PolarHBondContact N-O 3.41Å; M82-L95 HydrophobicContact CG-CG 4.4Å; M82-L95 HydrophobicContact SD-CD1 4.37Å; M82-Y107 WeakPolarHBondContact CE-OH 3.29Å; M82-L114 HydrophobicContact SD-CD2 4.31Å
83	W	91.6	Very high	88.1	Confident	10 Å²	10	44.5 Å²	44.5	4%	0.038	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.7	-174.9	-46.5	79.7	0	0	0	110.1	M52 T70 L71 S73 L81 E90 N91 L341	M52-W83 HydrophobicContact CB-CD2 4.36Å; M52-W83 HydrophobicContact CB-CE3 4.01Å; M52-W83 HydrophobicContact CB-CH2 4.09Å; M52-W83 HydrophobicContact CB-CZ2 4.42Å; M52-W83 HydrophobicContact CB-CZ3 3.87Å; M52-W83 HydrophobicContact CG-CD2 4.5Å; M52-W83 HydrophobicContact CG-CE3 4.1Å; M52-W83 HydrophobicContact CG-CZ3 4.37Å; M52-W83 HydrophobicContact SD-CB 4.05Å; M52-W83 HydrophobicContact SD-CD2 3.98Å; M52-W83 HydrophobicContact SD-CE3 4.08Å; M52-W83 HydrophobicContact SD-CG 3.98Å; T70-W83 CarbonylContact C-O 3.42Å; T70-W83 WeakPolarHBondContact CA-O 3.31Å; L71-W83 HydrophobicContact CB-CB 4.17Å; L71-W83 HydrophobicContact CD2-CB 4.34Å; L71-W83 HydrophobicContact CD2-CG 4.29Å; L71-W83 PolarHBondContact N-O 2.71Å; L71-W83 PolarHBondContact O-N 2.95Å; S73-W83 PolarHBondContact OG-NE1 2.9Å; L81-W83 HydrophobicContact CB-CZ2 4.01Å; L81-W83 HydrophobicContact CD1-CH2 4.43Å; L81-W83 HydrophobicContact CD1-CZ2 3.71Å; W83-E90 WeakPolarHBondContact CA-O 3.48Å; W83-N91 HydrophobicContact CD2-CB 4.27Å; W83-N91 HydrophobicContact CE3-CB 3.82Å; W83-N91 HydrophobicContact CH2-CB 4.28Å; W83-N91 HydrophobicContact CZ3-CB 3.82Å; W83-L341 HydrophobicContact CZ2-CD1 4.46Å
84	N	89.6	Confident	87.9	Confident	63 Å²	63	47.3 Å²	47.3	34%	0.337	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.7	162.4	-76	-25	0	0	0	109.5	C89 E90 F92	N84-C89 VanDerWaalsContact O-CA 3.29Å; N84-C89 WeakPolarHBondContact O-CA 3.29Å; N84-E90 PolarHBondContact N-O 2.77Å; N84-E90 VanDerWaalsContact N-O 3.08Å; N84-F92 WeakPolarHBondContact OD1-CD1 3.29Å; N84-F92 WeakPolarHBondContact OD1-CE1 3.47Å
85	V	84.3	Confident	87.8	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.239	C	C	.	.	S	Bend	trans	-81.2	-40.7	178	174.8	0	0	0	0	110.6	F64 G68 A69 L71 C89 M343	F64-V85 HydrophobicContact CD1-CG2 3.85Å; F64-V85 HydrophobicContact CE1-CG1 4.28Å; F64-V85 HydrophobicContact CE1-CG2 3.69Å; G68-V85 WeakPolarHBondContact O-CB 3.28Å; G68-V85 WeakPolarHBondContact O-CG2 3.23Å; A69-V85 WeakPolarHBondContact O-CB 3.46Å; A69-V85 PolarHBondContact O-N 2.64Å; L71-V85 HydrophobicContact CB-CG2 4.14Å; V85-C89 PolarHBondContact O-SG 3.09Å; V85-C89 VanDerWaalsContact O-SG 3.4Å; V85-M343 HydrophobicContact CG1-CE 4.19Å; V85-M343 HydrophobicContact CG1-SD 3.85Å; V85-M343 HydrophobicContact CG2-CE 4.22Å
86	Y	82.4	Confident	87.7	Confident	77 Å²	77	54.9 Å²	54.9	30%	0.302	27%	0.271	S	S	.	.	S	Bend	trans	-92.2	148.1	-178.9	-53.4	-63.8	0	0	0	112.2	S44 A69	S44-Y86 VanDerWaalsContact OG-CD1 3.29Å; S44-Y86 WeakPolarHBondContact OG-CD1 3.34Å; S44-Y86 WeakPolarHBondContact OG-CE1 3.34Å; A69-Y86 HydrophobicContact CB-CD2 4.39Å; A69-Y86 HydrophobicContact CB-CE2 4.2Å
87	G	79.8	Confident	87.4	Confident	35 Å²	35	51.9 Å²	51.9	36%	0.361	27%	0.271	S	S	.	.	S	Bend	trans	84.7	-140.7	-176.8	0	0	0	0	0	112.9	Q46 C89	Q46-G87 PolarHBondContact OE1-O 3.09Å; G87-C89 PolarHBondContact O-N 2.93Å; G87-C89 VanDerWaalsContact O-N 3.14Å
88	D	72.9	Confident	87.4	Confident	106 Å²	106	51.4 Å²	51.4	57%	0.567	27%	0.267	S	S	*	.	S	Bend	trans	-78.6	11	-175.4	-65.9	-36	0	0	0	114.1	Q46 E90	Q46-D88 PolarHBondContact NE2-OD1 2.93Å; Q46-D88 PolarHBondContact OE1-OD1 3.29Å; D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 HydrophobicContact CB-CG 4.09Å; D88-E90 PolarHBondContact O-N 2.9Å
89	C	77.3	Confident	87.4	Confident	7 Å²	7	49.5 Å²	49.5	5%	0.047	27%	0.274	C	S	.	.			trans	49.3	46	-176.5	-60.1	0	0	0	0	113.7	M50 M52 N84 V85 G87	M50-C89 HydrophobicContact CE-CB 4.13Å; M52-C89 HydrophobicContact CG-CB 3.93Å; M52-C89 HydrophobicContact SD-CB 4.1Å; N84-C89 VanDerWaalsContact O-CA 3.29Å; N84-C89 WeakPolarHBondContact O-CA 3.29Å; V85-C89 PolarHBondContact O-SG 3.09Å; V85-C89 VanDerWaalsContact O-SG 3.4Å; G87-C89 PolarHBondContact O-N 2.93Å; G87-C89 VanDerWaalsContact O-N 3.14Å
90	E	83.7	Confident	87.4	Confident	133 Å²	133	47.9 Å²	47.9	62%	0.621	27%	0.268	S	S	*	.			trans	-72.9	145.4	-178.3	-61.8	-172	158.8	0	0	112.2	W83 N84 D88 F92	W83-E90 WeakPolarHBondContact CA-O 3.48Å; N84-E90 PolarHBondContact N-O 2.77Å; N84-E90 VanDerWaalsContact N-O 3.08Å; D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 HydrophobicContact CB-CG 4.09Å; D88-E90 PolarHBondContact O-N 2.9Å; E90-F92 PolarHBondContact O-N 2.89Å
91	N	85.6	Confident	87.4	Confident	61 Å²	61	48.2 Å²	48.2	33%	0.326	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	111.5	167.8	176.9	1.9	0	0	0	108.9	M82 W83 A93	M82-N91 WeakPolarHBondContact O-CA 3.48Å; M82-N91 PolarHBondContact O-OD1 2.79Å; W83-N91 HydrophobicContact CD2-CB 4.27Å; W83-N91 HydrophobicContact CE3-CB 3.82Å; W83-N91 HydrophobicContact CH2-CB 4.28Å; W83-N91 HydrophobicContact CZ3-CB 3.82Å; N91-A93 PolarHBondContact OD1-N 2.81Å; N91-A93 PolarHBondContact OD1-O 2.87Å
92	F	86.9	Confident	87.5	Confident	99 Å²	99	47.9 Å²	47.9	43%	0.434	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-22.9	-177.9	70.7	-91.3	0	0	0	113	T70 M82 N84 E90	T70-F92 HydrophobicContact CG2-CE1 4Å; T70-F92 HydrophobicContact CG2-CZ 4.12Å; M82-F92 HydrophobicContact CB-CD1 4.38Å; M82-F92 HydrophobicContact CB-CE1 3.79Å; M82-F92 HydrophobicContact CB-CE2 4.21Å; M82-F92 HydrophobicContact CB-CZ 3.7Å; M82-F92 HydrophobicContact CE-CZ 4.26Å; M82-F92 WeakPolarHBondContact O-CD1 3.47Å; M82-F92 PolarHBondContact O-N 2.84Å; M82-F92 VanDerWaalsContact O-N 3.09Å; N84-F92 WeakPolarHBondContact OD1-CD1 3.29Å; N84-F92 WeakPolarHBondContact OD1-CE1 3.47Å; E90-F92 PolarHBondContact O-N 2.89Å
93	A	87.8	Confident	87.6	Confident	27 Å²	27	48.8 Å²	48.8	22%	0.223	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.6	-178.5	0	0	0	0	0	112.7	M82 N91	M82-A93 HydrophobicContact CB-CB 4.02Å; M82-A93 WeakPolarHBondContact CB-O 3.49Å; M82-A93 HydrophobicContact CG-CB 4.17Å; M82-A93 PolarHBondContact N-O 3.41Å; N91-A93 PolarHBondContact OD1-N 2.81Å; N91-A93 PolarHBondContact OD1-O 2.87Å
94	T	90.8	Very high	87.7	Confident	59 Å²	59	48.7 Å²	48.7	36%	0.362	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.7	176.6	-61.8	0	0	0	0	109.8	L79 I80 L81 K96	L79-T94 HydrophobicContact CB-CG2 4.42Å; L79-T94 HydrophobicContact CD1-CG2 4.28Å; L79-T94 HydrophobicContact CD2-CG2 4.11Å; I80-T94 WeakPolarHBondContact O-CA 3.47Å; L81-T94 HydrophobicContact CD2-CG2 3.69Å; T94-K96 HydrophobicContact CG2-CG 4.16Å; T94-K96 PolarHBondContact O-N 3.18Å
95	L	90.6	Very high	87.9	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.4	179.5	-41.3	174.6	0	0	0	109.5	I80 M82 L114 W126 G131	I80-L95 HydrophobicContact CB-CB 4.02Å; I80-L95 HydrophobicContact CB-CD1 3.99Å; I80-L95 HydrophobicContact CB-CG 4.18Å; I80-L95 HydrophobicContact CD1-CB 4.43Å; I80-L95 HydrophobicContact CD1-CD1 4.12Å; I80-L95 HydrophobicContact CG2-CD1 3.89Å; I80-L95 HydrophobicContact CG2-CG 4.41Å; I80-L95 PolarHBondContact N-O 2.88Å; I80-L95 PolarHBondContact O-N 3.25Å; M82-L95 HydrophobicContact CG-CG 4.4Å; M82-L95 HydrophobicContact SD-CD1 4.37Å; L95-L114 HydrophobicContact CD1-CD2 3.84Å; L95-W126 HydrophobicContact CB-CD2 4.38Å; L95-W126 HydrophobicContact CB-CE3 3.87Å; L95-W126 HydrophobicContact CB-CH2 4.41Å; L95-W126 HydrophobicContact CB-CZ3 3.86Å; L95-W126 HydrophobicContact CD1-CB 4.15Å; L95-W126 HydrophobicContact CD1-CD2 4.16Å; L95-W126 HydrophobicContact CD1-CE3 4.22Å; L95-W126 HydrophobicContact CD1-CG 4.12Å; L95-W126 HydrophobicContact CG-CE3 4.45Å; L95-G131 WeakPolarHBondContact CD2-O 3.18Å
96	K	90	Very high	88.4	Confident	156 Å²	156	46.3 Å²	46.3	68%	0.678	26%	0.26	S	S	*	.			trans	-109.2	139	178.1	-58.5	-167.8	176.2	177.9	0	110.1	L79 T94	L79-K96 HydrophobicContact CD2-CB 4.43Å; L79-K96 HydrophobicContact CD2-CD 4.19Å; L79-K96 HydrophobicContact CD2-CG 3.64Å; T94-K96 HydrophobicContact CG2-CG 4.16Å; T94-K96 PolarHBondContact O-N 3.18Å
97	G	86.5	Confident	88.9	Confident	45 Å²	45	43.6 Å²	43.6	46%	0.464	25%	0.249	S	C	.	.			trans	149.8	-2.1	172.5	0	0	0	0	0	116.2	R133	G97-R133 PolarHBondContact O-NH1 2.69Å
98	H	90.9	Very high	89.5	Confident	15 Å²	15	42.1 Å²	42.1	7%	0.069	23%	0.233	C	C	.	.			trans	-83.2	139.9	167.3	-75.2	-57.8	0	0	0	110.8	V102 S116 D120 W126	H98-V102 HydrophobicContact CB-CG2 4.3Å; H98-V102 VanDerWaalsContact CD2-CG2 3.46Å; H98-V102 WeakPolarHBondContact CD2-CG2 3.37Å; H98-S116 PolarHBondContact CE1-OG 3.22Å; H98-S116 VanDerWaalsContact CE1-OG 3.23Å; H98-S116 WeakPolarHBondContact NE2-CB 3.45Å; H98-S116 PolarHBondContact NE2-OG 3.02Å; H98-D120 IonicContact ND1-OD2 2.99Å; H98-W126 AromaticContact CD2-CZ2 3.68Å; H98-W126 AromaticContact NE2-CE2 3.87Å; H98-W126 AromaticContact NE2-CZ2 3.52Å; H98-W126 AromaticContact NE2-NE1 3.6Å
99	S	92.1	Very high	90.1	Very high	90 Å²	90	40.2 Å²	40.2	63%	0.629	23%	0.225	S	C	*	.	S	Bend	trans	-88.1	-16	175.5	-173.4	0	0	0	0	112.5	R78 D120	R78-S99 WeakPolarHBondContact CD-O 3.37Å; R78-S99 PolarHBondContact NH1-O 3.01Å; S99-D120 PolarHBondContact N-OD2 3.49Å; S99-D120 VanDerWaalsContact N-OD2 3.11Å
100	G	92.8	Very high	90.5	Very high	8 Å²	8	45.3 Å²	45.3	8%	0.082	25%	0.252	C	S	.	.	S	Bend	trans	-127.6	175.5	-177	0	0	0	0	0	112.2	R78 S118 T119	R78-G100 WeakPolarHBondContact CA-O 3.3Å; R78-G100 VanDerWaalsContact CB-O 3.29Å; R78-G100 WeakPolarHBondContact CB-O 3.29Å; R78-G100 WeakPolarHBondContact CG-O 3.32Å; G100-S118 PolarHBondContact O-OG 3.4Å; G100-T119 WeakPolarHBondContact CA-OG1 3.04Å
101	A	93.7	Very high	90.7	Very high	7 Å²	7	39 Å²	39	6%	0.058	22%	0.222	C	C	.	.			trans	-60.8	144.9	175.6	0	0	0	0	0	110.1	Y60 F76 M103 S118 T119	Y60-A101 HydrophobicContact CE2-CB 4.15Å; F76-A101 HydrophobicContact CD2-CB 4.03Å; A101-M103 HydrophobicContact CB-CE 3.51Å; A101-S118 CarbonylContact O-C 3.53Å; A101-S118 VanDerWaalsContact O-CA 3.26Å; A101-S118 WeakPolarHBondContact O-CA 3.37Å; A101-S118 WeakPolarHBondContact O-CB 3.4Å; A101-S118 PolarHBondContact O-OG 3.33Å; A101-T119 HydrophobicContact CB-CG2 4.3Å; A101-T119 PolarHBondContact N-OG1 3.46Å; A101-T119 PolarHBondContact O-N 3.12Å; A101-T119 PolarHBondContact O-OG1 2.98Å
102	V	95.3	Very high	90.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.5	176.8	-174.1	0	0	0	0	107.3	S74 G75 I80 H98 L105 A117	S74-V102 VanDerWaalsContact OG-CB 3.3Å; S74-V102 WeakPolarHBondContact OG-CB 3.21Å; S74-V102 WeakPolarHBondContact OG-CG1 3.4Å; G75-V102 PolarHBondContact O-N 2.77Å; I80-V102 HydrophobicContact CG1-CG2 4.35Å; H98-V102 HydrophobicContact CB-CG2 4.3Å; H98-V102 VanDerWaalsContact CD2-CG2 3.46Å; H98-V102 WeakPolarHBondContact CD2-CG2 3.37Å; V102-L105 HydrophobicContact CG1-CD2 4.24Å; V102-L105 HydrophobicContact CG1-CG 4.2Å; V102-A117 CarbonylContact C-O 3.46Å; V102-A117 WeakPolarHBondContact CA-O 3.29Å; V102-A117 WeakPolarHBondContact CG1-O 3.39Å
103	M	94.4	Very high	91.1	Very high	22 Å²	22	35.2 Å²	35.2	11%	0.108	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-32.5	-175	-62.1	-69.2	91.3	0	0	112.1	Y60 A101 A117 T119 N145	Y60-M103 HydrophobicContact CD2-CE 3.29Å; Y60-M103 HydrophobicContact CE2-CE 3.28Å; Y60-M103 HydrophobicContact CG-CE 4.06Å; A101-M103 HydrophobicContact CB-CE 3.51Å; M103-A117 PolarHBondContact N-O 3.37Å; M103-T119 HydrophobicContact CE-CG2 3.82Å; M103-T119 HydrophobicContact CG-CG2 3.71Å; M103-T119 HydrophobicContact SD-CG2 3.74Å; M103-N145 WeakPolarHBondContact CB-O 3.16Å
104	E	94.4	Very high	91.4	Very high	7 Å²	7	34 Å²	34	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.8	-178.1	-157.8	160.3	177.4	0	0	111.8	H106 S116 A117 T146 R280	E104-H106 WeakPolarHBondContact CG-NE2 3.15Å; E104-H106 IonicContact OE1-CD2 3.67Å; E104-H106 IonicContact OE1-CE1 3.89Å; E104-H106 IonicContact OE1-NE2 3.25Å; E104-H106 PolarHBondContact OE1-NE2 3.3Å; E104-S116 CarbonylContact O-C 3.52Å; E104-S116 WeakPolarHBondContact O-CA 3.31Å; E104-A117 HydrophobicContact CB-CB 4.27Å; E104-A117 PolarHBondContact N-O 3.48Å; E104-A117 PolarHBondContact O-N 2.87Å; E104-T146 WeakPolarHBondContact OE2-CA 3.48Å; E104-T146 WeakPolarHBondContact OE2-CB 3.37Å; E104-T146 PolarHBondContact OE2-OG1 3.35Å; E104-R280 IonicContact OE2-CZ 3.42Å; E104-R280 IonicContact OE2-NH1 2.72Å; E104-R280 IonicContact OE2-NH2 3.01Å; E104-R280 PolarHBondContact OE2-NH2 3.4Å
105	L	94.6	Very high	91.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.1	176.6	-79.7	174.7	0	0	0	109.4	C61 K63 A72 S74 I80 V102 L114 F115	C61-L105 VanDerWaalsContact SG-CG 3.55Å; C61-L105 PolarHBondContact SG-N 3.01Å; C61-L105 VanDerWaalsContact SG-N 3.42Å; K63-L105 WeakPolarHBondContact CE-O 3.5Å; K63-L105 HydrophobicContact CG-CB 4.4Å; K63-L105 WeakPolarHBondContact CG-O 3.39Å; A72-L105 HydrophobicContact CB-CD1 4.22Å; S74-L105 VanDerWaalsContact CB-CD1 3.49Å; S74-L105 WeakPolarHBondContact OG-CD1 3.25Å; S74-L105 VanDerWaalsContact OG-CG 3.25Å; S74-L105 WeakPolarHBondContact OG-CG 3.15Å; I80-L105 HydrophobicContact CD1-CD2 3.82Å; I80-L105 HydrophobicContact CG1-CD2 4.1Å; I80-L105 HydrophobicContact CG2-CD1 3.94Å; I80-L105 HydrophobicContact CG2-CD2 4.3Å; V102-L105 HydrophobicContact CG1-CD2 4.24Å; V102-L105 HydrophobicContact CG1-CG 4.2Å; L105-L114 HydrophobicContact CD2-CD1 4.14Å; L105-L114 HydrophobicContact CD2-CD2 4.03Å; L105-L114 HydrophobicContact CD2-CG 4.08Å; L105-F115 WeakPolarHBondContact CA-O 3.49Å
106	H	94.4	Very high	91.8	Very high	14 Å²	14	31 Å²	31	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	138.6	170.7	-74.6	-86.2	0	0	0	111.4	K63 E104 F115 C147 Y148 P149	K63-H106 VanDerWaalsContact CE-CE1 3.42Å; K63-H106 WeakPolarHBondContact CE-CE1 3.33Å; K63-H106 WeakPolarHBondContact CE-ND1 3.23Å; E104-H106 WeakPolarHBondContact CG-NE2 3.15Å; E104-H106 IonicContact OE1-CD2 3.67Å; E104-H106 IonicContact OE1-CE1 3.89Å; E104-H106 IonicContact OE1-NE2 3.25Å; E104-H106 PolarHBondContact OE1-NE2 3.3Å; H106-F115 PolarHBondContact N-O 2.65Å; H106-F115 PolarHBondContact O-N 3.16Å; H106-C147 PolarHBondContact CD2-O 2.81Å; H106-C147 PolarHBondContact NE2-O 2.97Å; H106-C147 VanDerWaalsContact NE2-O 3.17Å; H106-Y148 AromaticContact CE1-CD2 3.33Å; H106-Y148 WeakPolarHBondContact CE1-CD2 3.26Å; H106-Y148 AromaticContact CE1-CE2 3.47Å; H106-Y148 VanDerWaalsContact CE1-CE2 3.47Å; H106-Y148 WeakPolarHBondContact CE1-CE2 3.27Å; H106-Y148 AromaticContact ND1-CD2 3.65Å; H106-Y148 AromaticContact ND1-CE2 3.65Å; H106-Y148 AromaticContact NE2-CD2 3.67Å; H106-P149 HydrophobicContact CB-CG 3.92Å
107	Y	93.2	Very high	92	Very high	21 Å²	21	23.5 Å²	23.5	8%	0.082	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	149.8	167.6	-80.3	-80.2	0	0	0	111.2	K63 F64 H65 A72 M82 G111 L114 P149	K63-Y107 HydrophobicContact CB-CD2 4.02Å; K63-Y107 HydrophobicContact CB-CE2 4.33Å; F64-Y107 VanDerWaalsContact O-CD2 3.29Å; F64-Y107 WeakPolarHBondContact O-CD2 3.13Å; H65-Y107 HydrophobicContact CB-CE1 4.34Å; H65-Y107 HydrophobicContact CB-CE2 4.2Å; H65-Y107 AromaticContact CD2-CD1 3.87Å; H65-Y107 AromaticContact CD2-CE1 3.5Å; A72-Y107 HydrophobicContact CB-CE2 3.66Å; A72-Y107 WeakPolarHBondContact CB-OH 3.39Å; M82-Y107 WeakPolarHBondContact CE-OH 3.29Å; Y107-G111 WeakPolarHBondContact CD1-O 3.33Å; Y107-L114 HydrophobicContact CD1-CB 4.33Å; Y107-L114 HydrophobicContact CD1-CD1 3.97Å; Y107-L114 HydrophobicContact CD2-CD1 3.91Å; Y107-L114 HydrophobicContact CE1-CB 4.2Å; Y107-L114 HydrophobicContact CE1-CD1 3.94Å; Y107-L114 HydrophobicContact CE2-CD1 3.88Å; Y107-L114 HydrophobicContact CG-CD1 3.98Å; Y107-P149 VanDerWaalsContact O-CG 3.31Å; Y107-P149 WeakPolarHBondContact O-CG 3.4Å
108	N	91.2	Very high	92.4	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	13%	0.128	C	C	.	.			trans	-64.7	161.8	158.6	-176.5	32.5	0	0	0	110.4	P66 D110 G111 L113 F115 Q155	P66-N108 VanDerWaalsContact CG-O 3.25Å; P66-N108 WeakPolarHBondContact CG-O 3.34Å; N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact ND2-OD2 3.27Å; N108-D110 PolarHBondContact O-N 3.47Å; N108-G111 WeakPolarHBondContact O-CA 3.34Å; N108-G111 PolarHBondContact O-N 3.21Å; N108-L113 HydrophobicContact CB-CB 4.13Å; N108-L113 PolarHBondContact N-O 2.92Å; N108-F115 HydrophobicContact CB-CE2 4.08Å; N108-Q155 VanDerWaalsContact CG-NE2 3.31Å; N108-Q155 PolarHBondContact ND2-NE2 2.93Å; N108-Q155 PolarHBondContact OD1-NE2 3.47Å; N108-Q155 PolarHBondContact OD1-OE1 2.74Å
109	T	86.3	Confident	92.6	Very high	66 Å²	66	22.3 Å²	22.3	41%	0.405	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-35.8	175.8	46.3	0	0	0	0	113.5	P66 G111 R151	P66-T109 WeakPolarHBondContact CB-O 3.45Å; P66-T109 WeakPolarHBondContact CG-O 3.17Å; T109-G111 PolarHBondContact O-N 3.06Å; T109-R151 HydrophobicContact CG2-CB 3.96Å; T109-R151 HydrophobicContact CG2-CG 4.35Å; T109-R151 VanDerWaalsContact CG2-O 3.29Å; T109-R151 WeakPolarHBondContact CG2-O 3.47Å
110	D	86.1	Confident	92.6	Very high	115 Å²	115	19.6 Å²	19.6	62%	0.615	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.1	175.3	-53.5	-37.6	0	0	0	112.4	N108 S112	N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact ND2-OD2 3.27Å; N108-D110 PolarHBondContact O-N 3.47Å; D110-S112 PolarHBondContact O-N 2.95Å
111	G	86.9	Confident	92.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	75	-19.6	-178.9	0	0	0	0	0	115.7	H65 Y107 N108 T109 L113 S128	H65-G111 PolarHBondContact CD2-O 3.25Å; H65-G111 WeakPolarHBondContact NE2-CA 3.29Å; H65-G111 PolarHBondContact NE2-O 3.41Å; H65-G111 VanDerWaalsContact NE2-O 3.17Å; Y107-G111 WeakPolarHBondContact CD1-O 3.33Å; N108-G111 WeakPolarHBondContact O-CA 3.34Å; N108-G111 PolarHBondContact O-N 3.21Å; T109-G111 PolarHBondContact O-N 3.06Å; G111-L113 VanDerWaalsContact C-N 3.26Å; G111-L113 PolarHBondContact O-N 3.38Å; G111-S128 WeakPolarHBondContact O-CB 3.42Å; G111-S128 PolarHBondContact O-OG 2.97Å
112	S	89.4	Confident	92.7	Very high	52 Å²	52	23.8 Å²	23.8	36%	0.364	13%	0.128	S	C	.	.	S	Bend	trans	-55.5	-36.9	-179.9	58	0	0	0	0	114	D110 S128	D110-S112 PolarHBondContact O-N 2.95Å; S112-S128 WeakPolarHBondContact CA-OG 3.38Å; S112-S128 WeakPolarHBondContact O-CB 3.43Å; S112-S128 PolarHBondContact O-N 3Å; S112-S128 PolarHBondContact O-OG 3.35Å
113	L	92.1	Very high	92.6	Very high	29 Å²	29	23.8 Å²	23.8	15%	0.152	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.9	-179	-62.2	179.1	0	0	0	111.9	N108 G111 F115 V125 W126 I134 I171	N108-L113 HydrophobicContact CB-CB 4.13Å; N108-L113 PolarHBondContact N-O 2.92Å; G111-L113 VanDerWaalsContact C-N 3.26Å; G111-L113 PolarHBondContact O-N 3.38Å; L113-F115 HydrophobicContact CB-CE2 4.3Å; L113-F115 HydrophobicContact CB-CZ 4.13Å; L113-F115 HydrophobicContact CD1-CZ 4.33Å; L113-V125 HydrophobicContact CD2-CG1 4.36Å; L113-W126 WeakPolarHBondContact CA-O 3.46Å; L113-I134 HydrophobicContact CD2-CD1 3.31Å; L113-I171 HydrophobicContact CD1-CD1 4.04Å
114	L	93.8	Very high	92.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130	171.7	-179.2	71.9	0	0	0	110.1	A72 I80 M82 L95 L105 Y107 W126	A72-L114 HydrophobicContact CB-CD1 4.13Å; A72-L114 HydrophobicContact CB-CD2 4.04Å; I80-L114 HydrophobicContact CD1-CD2 4.49Å; I80-L114 HydrophobicContact CG2-CD2 3.96Å; M82-L114 HydrophobicContact SD-CD2 4.31Å; L95-L114 HydrophobicContact CD1-CD2 3.84Å; L105-L114 HydrophobicContact CD2-CD1 4.14Å; L105-L114 HydrophobicContact CD2-CD2 4.03Å; L105-L114 HydrophobicContact CD2-CG 4.08Å; Y107-L114 HydrophobicContact CD1-CB 4.33Å; Y107-L114 HydrophobicContact CD1-CD1 3.97Å; Y107-L114 HydrophobicContact CD2-CD1 3.91Å; Y107-L114 HydrophobicContact CE1-CB 4.2Å; Y107-L114 HydrophobicContact CE1-CD1 3.94Å; Y107-L114 HydrophobicContact CE2-CD1 3.88Å; Y107-L114 HydrophobicContact CG-CD1 3.98Å; L114-W126 HydrophobicContact CB-CB 4.24Å; L114-W126 PolarHBondContact N-O 3.14Å; L114-W126 PolarHBondContact O-N 3.37Å
115	F	94.6	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.8	175.2	-57.6	-76.2	0	0	0	110	L105 H106 N108 L113 G124 V125 P149 V157 I171	L105-F115 WeakPolarHBondContact CA-O 3.49Å; H106-F115 PolarHBondContact N-O 2.65Å; H106-F115 PolarHBondContact O-N 3.16Å; N108-F115 HydrophobicContact CB-CE2 4.08Å; L113-F115 HydrophobicContact CB-CE2 4.3Å; L113-F115 HydrophobicContact CB-CZ 4.13Å; L113-F115 HydrophobicContact CD1-CZ 4.33Å; F115-G124 WeakPolarHBondContact CA-O 3.38Å; F115-V125 HydrophobicContact CD1-CB 4.4Å; F115-V125 HydrophobicContact CD1-CG1 4.17Å; F115-V125 HydrophobicContact CD1-CG2 3.88Å; F115-V125 HydrophobicContact CE1-CB 4.31Å; F115-V125 HydrophobicContact CE1-CG1 3.7Å; F115-V125 HydrophobicContact CE1-CG2 3.84Å; F115-V125 HydrophobicContact CZ-CG1 4.49Å; F115-P149 HydrophobicContact CD2-CB 3.67Å; F115-P149 HydrophobicContact CD2-CG 3.89Å; F115-P149 HydrophobicContact CE2-CB 3.59Å; F115-P149 HydrophobicContact CE2-CG 4.2Å; F115-V157 HydrophobicContact CD1-CG1 4.48Å; F115-V157 HydrophobicContact CD1-CG2 3.66Å; F115-V157 HydrophobicContact CE1-CG2 3.47Å; F115-V157 VanDerWaalsContact CE1-CG2 3.47Å; F115-V157 HydrophobicContact CE2-CG2 4.41Å; F115-V157 HydrophobicContact CG-CG2 4.23Å; F115-V157 HydrophobicContact CZ-CG2 3.89Å; F115-I171 HydrophobicContact CE1-CD1 3.42Å; F115-I171 VanDerWaalsContact CE1-CD1 3.42Å; F115-I171 HydrophobicContact CE1-CG1 4.1Å; F115-I171 HydrophobicContact CZ-CD1 3.38Å; F115-I171 HydrophobicContact CZ-CG1 4.45Å
116	S	94.8	Very high	92.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.6	-179.8	61	0	0	0	0	110.6	H98 E104 V123 G124 W126	H98-S116 PolarHBondContact CE1-OG 3.22Å; H98-S116 VanDerWaalsContact CE1-OG 3.23Å; H98-S116 WeakPolarHBondContact NE2-CB 3.45Å; H98-S116 PolarHBondContact NE2-OG 3.02Å; E104-S116 CarbonylContact O-C 3.52Å; E104-S116 WeakPolarHBondContact O-CA 3.31Å; S116-V123 CarbonylContact O-C 3.57Å; S116-V123 WeakPolarHBondContact O-CA 3.4Å; S116-V123 WeakPolarHBondContact O-CG1 3.27Å; S116-G124 PolarHBondContact N-O 3.18Å; S116-G124 PolarHBondContact O-N 2.55Å; S116-G124 WeakPolarHBondContact OG-CA 3.46Å; S116-G124 PolarHBondContact OG-O 2.79Å; S116-W126 PolarHBondContact OG-NE1 3.28Å
117	A	94.9	Very high	92.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130	171.4	0	0	0	0	0	110	V102 M103 E104 V144 C147	V102-A117 CarbonylContact C-O 3.46Å; V102-A117 WeakPolarHBondContact CA-O 3.29Å; V102-A117 WeakPolarHBondContact CG1-O 3.39Å; M103-A117 PolarHBondContact N-O 3.37Å; E104-A117 HydrophobicContact CB-CB 4.27Å; E104-A117 PolarHBondContact N-O 3.48Å; E104-A117 PolarHBondContact O-N 2.87Å; A117-V144 HydrophobicContact CB-CB 4.21Å; A117-V144 HydrophobicContact CB-CG1 3.72Å; A117-C147 HydrophobicContact CB-CB 3.95Å
118	S	95.2	Very high	92.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.9	-178.2	-179.5	0	0	0	0	112.9	G100 A101 D120 K121 T122 V144	G100-S118 PolarHBondContact O-OG 3.4Å; A101-S118 CarbonylContact O-C 3.53Å; A101-S118 VanDerWaalsContact O-CA 3.26Å; A101-S118 WeakPolarHBondContact O-CA 3.37Å; A101-S118 WeakPolarHBondContact O-CB 3.4Å; A101-S118 PolarHBondContact O-OG 3.33Å; S118-D120 WeakPolarHBondContact CB-OD1 3.27Å; S118-D120 PolarHBondContact O-N 3.38Å; S118-D120 PolarHBondContact OG-N 3.29Å; S118-K121 PolarHBondContact O-N 3.05Å; S118-T122 PolarHBondContact N-O 3.02Å; S118-V144 PolarHBondContact O-N 2.88Å
119	T	94.7	Very high	91.9	Very high	34 Å²	34	31.8 Å²	31.8	21%	0.209	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.8	168.4	63.9	0	0	0	0	112.9	G100 A101 M103 K121 F143	G100-T119 WeakPolarHBondContact CA-OG1 3.04Å; A101-T119 HydrophobicContact CB-CG2 4.3Å; A101-T119 PolarHBondContact N-OG1 3.46Å; A101-T119 PolarHBondContact O-N 3.12Å; A101-T119 PolarHBondContact O-OG1 2.98Å; M103-T119 HydrophobicContact CE-CG2 3.82Å; M103-T119 HydrophobicContact CG-CG2 3.71Å; M103-T119 HydrophobicContact SD-CG2 3.74Å; T119-K121 PolarHBondContact O-N 3.34Å; T119-K121 VanDerWaalsContact O-N 3.13Å; T119-F143 HydrophobicContact CG2-CB 4.49Å; T119-F143 WeakPolarHBondContact O-CD1 3.47Å
120	D	92.9	Very high	91.8	Very high	34 Å²	34	32.8 Å²	32.8	18%	0.182	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	8.7	170.7	76.6	5.6	0	0	0	114.5	H98 S99 S118 T122	H98-D120 IonicContact ND1-OD2 2.99Å; S99-D120 PolarHBondContact N-OD2 3.49Å; S99-D120 VanDerWaalsContact N-OD2 3.11Å; S118-D120 WeakPolarHBondContact CB-OD1 3.27Å; S118-D120 PolarHBondContact O-N 3.38Å; S118-D120 PolarHBondContact OG-N 3.29Å; D120-T122 VanDerWaalsContact CG-OG1 3.31Å; D120-T122 PolarHBondContact O-N 3Å; D120-T122 WeakPolarHBondContact OD1-CA 3.29Å; D120-T122 VanDerWaalsContact OD1-CB 3.26Å; D120-T122 WeakPolarHBondContact OD1-CB 3.29Å; D120-T122 PolarHBondContact OD1-N 2.97Å; D120-T122 PolarHBondContact OD1-OG1 3.46Å; D120-T122 PolarHBondContact OD2-OG1 2.91Å
121	K	93.6	Very high	91.7	Very high	92 Å²	92	28.3 Å²	28.3	40%	0.4	16%	0.157	S	C	.	.	S	Bend	trans	69.9	10.7	179.5	-40	-179.5	176.9	-168.1	0	113.2	S118 T119 T141 S142	S118-K121 PolarHBondContact O-N 3.05Å; T119-K121 PolarHBondContact O-N 3.34Å; T119-K121 VanDerWaalsContact O-N 3.13Å; K121-T141 WeakPolarHBondContact CD-O 3.45Å; K121-T141 WeakPolarHBondContact CE-O 3.32Å; K121-T141 PolarHBondContact NZ-O 2.9Å; K121-S142 WeakPolarHBondContact CB-O 3.09Å; K121-S142 VanDerWaalsContact CG-O 3.31Å; K121-S142 WeakPolarHBondContact CG-O 3.36Å
122	T	92.9	Very high	91.8	Very high	10 Å²	10	35 Å²	35	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153	-179.6	82.2	0	0	0	0	111.5	S118 D120 R133 R136 L137 K138	S118-T122 PolarHBondContact N-O 3.02Å; D120-T122 VanDerWaalsContact CG-OG1 3.31Å; D120-T122 PolarHBondContact O-N 3Å; D120-T122 WeakPolarHBondContact OD1-CA 3.29Å; D120-T122 VanDerWaalsContact OD1-CB 3.26Å; D120-T122 WeakPolarHBondContact OD1-CB 3.29Å; D120-T122 PolarHBondContact OD1-N 2.97Å; D120-T122 PolarHBondContact OD1-OG1 3.46Å; D120-T122 PolarHBondContact OD2-OG1 2.91Å; T122-R133 PolarHBondContact OG1-NH2 3.36Å; T122-R136 HydrophobicContact CG2-CG 4.16Å; T122-L137 WeakPolarHBondContact CA-O 3.27Å; T122-K138 HydrophobicContact CG2-CD 4.45Å; T122-K138 HydrophobicContact CG2-CG 3.88Å
123	V	94.2	Very high	91.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.9	167.3	178.9	0	0	0	0	108.5	S116 L137 V144 C147 T159	S116-V123 CarbonylContact O-C 3.57Å; S116-V123 WeakPolarHBondContact O-CA 3.4Å; S116-V123 WeakPolarHBondContact O-CG1 3.27Å; V123-L137 HydrophobicContact CB-CB 4.18Å; V123-L137 HydrophobicContact CB-CD1 4.35Å; V123-L137 HydrophobicContact CG1-CD1 4.31Å; V123-L137 PolarHBondContact N-O 2.67Å; V123-L137 PolarHBondContact O-N 3.49Å; V123-V144 HydrophobicContact CG2-CB 4.5Å; V123-V144 HydrophobicContact CG2-CG1 3.89Å; V123-V144 HydrophobicContact CG2-CG2 4.34Å; V123-C147 HydrophobicContact CG1-CB 4.48Å; V123-T159 HydrophobicContact CB-CG2 4.46Å; V123-T159 HydrophobicContact CG1-CG2 4.44Å; V123-T159 HydrophobicContact CG2-CG2 3.62Å
124	G	93.3	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.1	174.2	0	0	0	0	0	110.5	F115 S116	F115-G124 WeakPolarHBondContact CA-O 3.38Å; S116-G124 PolarHBondContact N-O 3.18Å; S116-G124 PolarHBondContact O-N 2.55Å; S116-G124 WeakPolarHBondContact OG-CA 3.46Å; S116-G124 PolarHBondContact OG-O 2.79Å
125	V	94.3	Very high	91.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122	164.8	-173.1	0	0	0	0	106.7	L113 F115 I134 K135 L137	L113-V125 HydrophobicContact CD2-CG1 4.36Å; F115-V125 HydrophobicContact CD1-CB 4.4Å; F115-V125 HydrophobicContact CD1-CG1 4.17Å; F115-V125 HydrophobicContact CD1-CG2 3.88Å; F115-V125 HydrophobicContact CE1-CB 4.31Å; F115-V125 HydrophobicContact CE1-CG1 3.7Å; F115-V125 HydrophobicContact CE1-CG2 3.84Å; F115-V125 HydrophobicContact CZ-CG1 4.49Å; V125-I134 PolarHBondContact O-N 2.91Å; V125-K135 HydrophobicContact CB-CB 4.11Å; V125-K135 HydrophobicContact CG2-CB 4.16Å; V125-K135 PolarHBondContact N-O 2.83Å; V125-K135 PolarHBondContact O-N 2.89Å; V125-K135 VanDerWaalsContact O-N 3.15Å; V125-L137 HydrophobicContact CG2-CD1 4.18Å; V125-L137 HydrophobicContact CG2-CG 4.44Å
126	W	94.1	Very high	91.5	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.011	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	-176.6	-51	84.6	0	0	0	109.2	I80 L95 H98 L113 L114 S116 E132 R133	I80-W126 HydrophobicContact CD1-CZ2 4.34Å; L95-W126 HydrophobicContact CB-CD2 4.38Å; L95-W126 HydrophobicContact CB-CE3 3.87Å; L95-W126 HydrophobicContact CB-CH2 4.41Å; L95-W126 HydrophobicContact CB-CZ3 3.86Å; L95-W126 HydrophobicContact CD1-CB 4.15Å; L95-W126 HydrophobicContact CD1-CD2 4.16Å; L95-W126 HydrophobicContact CD1-CE3 4.22Å; L95-W126 HydrophobicContact CD1-CG 4.12Å; L95-W126 HydrophobicContact CG-CE3 4.45Å; H98-W126 AromaticContact CD2-CZ2 3.68Å; H98-W126 AromaticContact NE2-CE2 3.87Å; H98-W126 AromaticContact NE2-CZ2 3.52Å; H98-W126 AromaticContact NE2-NE1 3.6Å; L113-W126 WeakPolarHBondContact CA-O 3.46Å; L114-W126 HydrophobicContact CB-CB 4.24Å; L114-W126 PolarHBondContact N-O 3.14Å; L114-W126 PolarHBondContact O-N 3.37Å; S116-W126 PolarHBondContact OG-NE1 3.28Å; W126-E132 WeakPolarHBondContact CA-O 3.44Å; W126-R133 HydrophobicContact CD2-CB 4.24Å; W126-R133 HydrophobicContact CD2-CG 4.2Å; W126-R133 HydrophobicContact CE3-CB 3.62Å; W126-R133 HydrophobicContact CE3-CG 4.07Å; W126-R133 HydrophobicContact CH2-CB 4.01Å; W126-R133 HydrophobicContact CH2-CG 4.11Å; W126-R133 HydrophobicContact CZ2-CG 4.21Å; W126-R133 HydrophobicContact CZ3-CB 3.52Å; W126-R133 HydrophobicContact CZ3-CG 4.05Å
127	D	92.1	Very high	91.3	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.193	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.5	164.1	-171.7	-2.9	0	0	0	108.4	E129 T130 G131 E132 I134	D127-E129 PolarHBondContact OD1-N 2.93Å; D127-T130 WeakPolarHBondContact CB-OG1 3.4Å; D127-T130 WeakPolarHBondContact OD2-CG2 3.46Å; D127-T130 PolarHBondContact OD2-OG1 3.06Å; D127-G131 VanDerWaalsContact O-CA 3.25Å; D127-G131 WeakPolarHBondContact O-CA 3.46Å; D127-G131 PolarHBondContact O-N 2.88Å; D127-E132 PolarHBondContact N-O 2.75Å; D127-I134 HydrophobicContact CB-CD1 3.86Å; D127-I134 HydrophobicContact CB-CG1 3.94Å
128	S	87	Confident	91.1	Very high	18 Å²	18	54.4 Å²	54.4	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.6	-178.4	63.3	0	0	0	0	113	G111 S112	G111-S128 WeakPolarHBondContact O-CB 3.42Å; G111-S128 PolarHBondContact O-OG 2.97Å; S112-S128 WeakPolarHBondContact CA-OG 3.38Å; S112-S128 WeakPolarHBondContact O-CB 3.43Å; S112-S128 PolarHBondContact O-N 3Å; S112-S128 PolarHBondContact O-OG 3.35Å
129	E	85.7	Confident	90.8	Very high	178 Å²	178	55.9 Å²	55.9	83%	0.832	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-47.3	-174.9	-174.1	171.9	-175.1	0	0	111.2	D127	D127-E129 PolarHBondContact OD1-N 2.93Å
130	T	85.9	Confident	90.7	Very high	86 Å²	86	55 Å²	55	53%	0.528	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.6	178.7	60.7	0	0	0	0	112.9	D127 E132	D127-T130 WeakPolarHBondContact CB-OG1 3.4Å; D127-T130 WeakPolarHBondContact OD2-CG2 3.46Å; D127-T130 PolarHBondContact OD2-OG1 3.06Å; T130-E132 PolarHBondContact O-N 2.82Å; T130-E132 PolarHBondContact OG1-N 3.5Å
131	G	83.9	Confident	90.7	Very high	22 Å²	22	58.1 Å²	58.1	23%	0.227	29%	0.292	C	S	.	.			trans	68.7	13.6	-174.2	0	0	0	0	0	113.7	L95 D127	L95-G131 WeakPolarHBondContact CD2-O 3.18Å; D127-G131 VanDerWaalsContact O-CA 3.25Å; D127-G131 WeakPolarHBondContact O-CA 3.46Å; D127-G131 PolarHBondContact O-N 2.88Å
132	E	89	Confident	90.8	Very high	139 Å²	139	55.3 Å²	55.3	65%	0.65	28%	0.284	S	S	*	.			trans	-90.8	149.3	179.8	-65.9	-165.6	163.4	0	0	112.4	W126 D127 T130 I134	W126-E132 WeakPolarHBondContact CA-O 3.44Å; D127-E132 PolarHBondContact N-O 2.75Å; T130-E132 PolarHBondContact O-N 2.82Å; T130-E132 PolarHBondContact OG1-N 3.5Å; E132-I134 PolarHBondContact O-N 2.91Å
133	R	90.3	Very high	90.8	Very high	61 Å²	61	59.5 Å²	59.5	23%	0.23	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.3	174.3	-167.2	179.4	-178.7	161	10.8	110.3	G97 T122 W126 K135	G97-R133 PolarHBondContact O-NH1 2.69Å; T122-R133 PolarHBondContact OG1-NH2 3.36Å; W126-R133 HydrophobicContact CD2-CB 4.24Å; W126-R133 HydrophobicContact CD2-CG 4.2Å; W126-R133 HydrophobicContact CE3-CB 3.62Å; W126-R133 HydrophobicContact CE3-CG 4.07Å; W126-R133 HydrophobicContact CH2-CB 4.01Å; W126-R133 HydrophobicContact CH2-CG 4.11Å; W126-R133 HydrophobicContact CZ2-CG 4.21Å; W126-R133 HydrophobicContact CZ3-CB 3.52Å; W126-R133 HydrophobicContact CZ3-CG 4.05Å; R133-K135 PolarHBondContact NE-O 3.07Å
134	I	90.9	Very high	90.9	Very high	90 Å²	90	59.4 Å²	59.4	46%	0.462	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-49.4	177.5	-47.5	177.2	0	0	0	110.9	L113 V125 D127 E132	L113-I134 HydrophobicContact CD2-CD1 3.31Å; V125-I134 PolarHBondContact O-N 2.91Å; D127-I134 HydrophobicContact CB-CD1 3.86Å; D127-I134 HydrophobicContact CB-CG1 3.94Å; E132-I134 PolarHBondContact O-N 2.91Å
135	K	90	Very high	90.9	Very high	66 Å²	66	59.9 Å²	59.9	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154	-174.2	-70.2	-172.9	-176.5	-176.9	0	113.9	V125 R133 I171	V125-K135 HydrophobicContact CB-CB 4.11Å; V125-K135 HydrophobicContact CG2-CB 4.16Å; V125-K135 PolarHBondContact N-O 2.83Å; V125-K135 PolarHBondContact O-N 2.89Å; V125-K135 VanDerWaalsContact O-N 3.15Å; R133-K135 PolarHBondContact NE-O 3.07Å; K135-I171 HydrophobicContact CD-CG2 4.13Å; K135-I171 WeakPolarHBondContact CD-O 3.46Å; K135-I171 PolarHBondContact NZ-O 2.82Å
136	R	91.9	Very high	91	Very high	142 Å²	142	59.9 Å²	59.9	54%	0.536	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	107.8	170.5	178.8	163.4	63.3	179.4	-0.1	108.7	T122 K138	T122-R136 HydrophobicContact CG2-CG 4.16Å; R136-K138 HydrophobicContact CG-CG 4Å
137	L	90.9	Very high	91	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.9	176.9	-57.2	173.3	0	0	0	108.1	T122 V123 V125 W169	T122-L137 WeakPolarHBondContact CA-O 3.27Å; V123-L137 HydrophobicContact CB-CB 4.18Å; V123-L137 HydrophobicContact CB-CD1 4.35Å; V123-L137 HydrophobicContact CG1-CD1 4.31Å; V123-L137 PolarHBondContact N-O 2.67Å; V123-L137 PolarHBondContact O-N 3.49Å; V125-L137 HydrophobicContact CG2-CD1 4.18Å; V125-L137 HydrophobicContact CG2-CG 4.44Å; L137-W169 HydrophobicContact CB-CD2 4.21Å; L137-W169 HydrophobicContact CB-CE3 4.02Å; L137-W169 HydrophobicContact CB-CZ3 4.17Å; L137-W169 HydrophobicContact CD1-CB 3.92Å; L137-W169 HydrophobicContact CD1-CD2 4.17Å; L137-W169 HydrophobicContact CD1-CE3 4.38Å; L137-W169 HydrophobicContact CD1-CG 3.97Å; L137-W169 HydrophobicContact CD2-CE3 4.06Å; L137-W169 HydrophobicContact CG-CE3 4.37Å
138	K	91.3	Very high	91.1	Very high	125 Å²	125	58.8 Å²	58.8	54%	0.543	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.1	177.4	-62.7	-166.7	177.7	-175.3	0	109.4	T122 R136 W169	T122-K138 HydrophobicContact CG2-CD 4.45Å; T122-K138 HydrophobicContact CG2-CG 3.88Å; R136-K138 HydrophobicContact CG-CG 4Å; K138-W169 WeakPolarHBondContact O-CH2 3.44Å
139	G	87.6	Confident	91.4	Very high	32 Å²	32	58.2 Å²	58.2	33%	0.33	29%	0.293	S	S	.	.			trans	173.3	-10.1	170.2	0	0	0	0	0	115.1	K167	G139-K167 PolarHBondContact O-NZ 3.04Å
140	H	92.8	Very high	91.6	Very high	14 Å²	14	50 Å²	50	7%	0.065	26%	0.255	C	S	.	.			trans	-74.1	146.8	168.3	-75.5	-71.7	0	0	0	111.2	V144 T159 S161 D163 T165	H140-V144 HydrophobicContact CB-CG2 3.95Å; H140-T159 PolarHBondContact NE2-OG1 3.3Å; H140-S161 WeakPolarHBondContact ND1-CB 3.47Å; H140-D163 IonicContact CG-OD2 3.86Å; H140-D163 IonicContact ND1-OD1 3.67Å; H140-D163 IonicContact ND1-OD2 3.24Å; H140-D163 PolarHBondContact ND1-OD2 2.79Å; H140-T165 PolarHBondContact CE1-OG1 3.37Å; H140-T165 PolarHBondContact ND1-OG1 3.1Å; H140-T165 VanDerWaalsContact ND1-OG1 3.15Å
141	T	93.2	Very high	91.5	Very high	100 Å²	100	49.8 Å²	49.8	61%	0.613	24%	0.244	S	C	*	.	S	Bend	trans	-93.5	-21	178.7	61.3	0	0	0	0	111.8	K121 D163	K121-T141 WeakPolarHBondContact CD-O 3.45Å; K121-T141 WeakPolarHBondContact CE-O 3.32Å; K121-T141 PolarHBondContact NZ-O 2.9Å; T141-D163 PolarHBondContact N-OD2 2.91Å; T141-D163 WeakPolarHBondContact OG1-CB 3.5Å; T141-D163 PolarHBondContact OG1-OD2 3.12Å
142	S	94.8	Very high	91.3	Very high	33 Å²	33	56 Å²	56	23%	0.231	26%	0.261	C	S	.	.	S	Bend	trans	-123.9	-172.1	176.7	-157.2	0	0	0	0	112.2	K121 S161 D162	K121-S142 WeakPolarHBondContact CB-O 3.09Å; K121-S142 VanDerWaalsContact CG-O 3.31Å; K121-S142 WeakPolarHBondContact CG-O 3.36Å; S142-S161 PolarHBondContact O-OG 3.25Å; S142-D162 WeakPolarHBondContact OG-CB 3.42Å
143	F	94.4	Very high	90.8	Very high	98 Å²	98	52.3 Å²	52.3	43%	0.43	26%	0.261	S	S	.	.			trans	-60.2	137.7	-179.6	-54.7	-30.6	0	0	0	111.4	T119 S161 D162	T119-F143 HydrophobicContact CG2-CB 4.49Å; T119-F143 WeakPolarHBondContact O-CD1 3.47Å; F143-S161 VanDerWaalsContact O-CA 3.23Å; F143-S161 WeakPolarHBondContact O-CA 3.33Å; F143-S161 VanDerWaalsContact O-CB 3.24Å; F143-S161 WeakPolarHBondContact O-CB 3.25Å; F143-S161 PolarHBondContact O-OG 2.91Å; F143-D162 PolarHBondContact O-N 3.17Å
144	V	95.5	Very high	90.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.3	174.3	-168.9	0	0	0	0	107.6	A117 S118 V123 H140 T146 G160	A117-V144 HydrophobicContact CB-CB 4.21Å; A117-V144 HydrophobicContact CB-CG1 3.72Å; S118-V144 PolarHBondContact O-N 2.88Å; V123-V144 HydrophobicContact CG2-CB 4.5Å; V123-V144 HydrophobicContact CG2-CG1 3.89Å; V123-V144 HydrophobicContact CG2-CG2 4.34Å; H140-V144 HydrophobicContact CB-CG2 3.95Å; V144-T146 WeakPolarHBondContact CG1-O 2.87Å; V144-G160 WeakPolarHBondContact CG1-O 3.47Å
145	N	94.3	Very high	90	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-29.8	-178	-64.6	-33.1	0	0	0	112	M103 G160 D162 V186 L278 R280	M103-N145 WeakPolarHBondContact CB-O 3.16Å; N145-G160 PolarHBondContact N-O 3.21Å; N145-D162 PolarHBondContact ND2-OD1 3.3Å; N145-V186 PolarHBondContact ND2-O 2.92Å; N145-L278 HydrophobicContact CB-CD1 4.3Å; N145-R280 PolarHBondContact O-NH2 3.3Å
146	T	94.5	Very high	90.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.5	-167.1	-178.8	0	0	0	0	112.5	E104 V144 T159 G160 V189	E104-T146 WeakPolarHBondContact OE2-CA 3.48Å; E104-T146 WeakPolarHBondContact OE2-CB 3.37Å; E104-T146 PolarHBondContact OE2-OG1 3.35Å; V144-T146 WeakPolarHBondContact CG1-O 2.87Å; T146-T159 VanDerWaalsContact O-CA 3.27Å; T146-T159 WeakPolarHBondContact O-CA 3.45Å; T146-G160 PolarHBondContact N-O 2.85Å; T146-G160 PolarHBondContact O-N 2.83Å; T146-V189 HydrophobicContact CG2-CB 3.85Å; T146-V189 HydrophobicContact CG2-CG2 3.59Å; T146-V189 PolarHBondContact OG1-N 2.72Å; T146-V189 VanDerWaalsContact OG1-N 3.15Å
147	C	94.3	Very high	90.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.8	166.9	61.8	0	0	0	0	109	H106 A117 V123 V157 C158 T159	H106-C147 PolarHBondContact CD2-O 2.81Å; H106-C147 PolarHBondContact NE2-O 2.97Å; H106-C147 VanDerWaalsContact NE2-O 3.17Å; A117-C147 HydrophobicContact CB-CB 3.95Å; V123-C147 HydrophobicContact CG1-CB 4.48Å; C147-V157 HydrophobicContact CB-CG1 4.28Å; C147-C158 CarbonylContact C-O 3.5Å; C147-C158 VanDerWaalsContact CA-O 3.25Å; C147-C158 WeakPolarHBondContact CA-O 3.3Å; C147-T159 HydrophobicContact CB-CG2 4.06Å
148	Y	94.5	Very high	90.2	Very high	16 Å²	16	41.4 Å²	41.4	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	126.3	171.8	-161.4	-91.2	0	0	0	110	H106 R151 C158 V189 T190 F191	H106-Y148 AromaticContact CE1-CD2 3.33Å; H106-Y148 WeakPolarHBondContact CE1-CD2 3.26Å; H106-Y148 AromaticContact CE1-CE2 3.47Å; H106-Y148 VanDerWaalsContact CE1-CE2 3.47Å; H106-Y148 WeakPolarHBondContact CE1-CE2 3.27Å; H106-Y148 AromaticContact ND1-CD2 3.65Å; H106-Y148 AromaticContact ND1-CE2 3.65Å; H106-Y148 AromaticContact NE2-CD2 3.67Å; Y148-R151 PolarHBondContact OH-NE 2.93Å; Y148-R151 PolarHBondContact OH-NH2 3.32Å; Y148-C158 PolarHBondContact N-O 2.83Å; Y148-C158 PolarHBondContact O-N 3.22Å; Y148-C158 PolarHBondContact O-SG 2.75Å; Y148-V189 WeakPolarHBondContact CB-O 3.44Å; Y148-T190 WeakPolarHBondContact CE1-OG1 3.18Å; Y148-F191 HydrophobicContact CD1-CB 4.13Å; Y148-F191 HydrophobicContact CD1-CD2 4.09Å; Y148-F191 HydrophobicContact CE1-CB 4.42Å; Y148-F191 WeakPolarHBondContact O-CD2 3.39Å; Y148-F191 VanDerWaalsContact O-CE2 3.27Å; Y148-F191 WeakPolarHBondContact O-CE2 3.12Å
149	P	93.5	Very high	90.4	Very high	7 Å²	7	35.5 Å²	35.5	5%	0.045	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	149.8	175.9	30.8	-32.2	0	0	0	111.3	H106 Y107 F115 L156	H106-P149 HydrophobicContact CB-CG 3.92Å; Y107-P149 VanDerWaalsContact O-CG 3.31Å; Y107-P149 WeakPolarHBondContact O-CG 3.4Å; F115-P149 HydrophobicContact CD2-CB 3.67Å; F115-P149 HydrophobicContact CD2-CG 3.89Å; F115-P149 HydrophobicContact CE2-CB 3.59Å; F115-P149 HydrophobicContact CE2-CG 4.2Å; P149-L156 CarbonylContact C-O 3.59Å; P149-L156 WeakPolarHBondContact CA-O 3.21Å
150	A	91.1	Very high	90.8	Very high	4 Å²	4	34 Å²	34	3%	0.033	18%	0.183	C	C	.	.			trans	-68.5	134.2	170	0	0	0	0	0	109.8	L156 F191	A150-L156 HydrophobicContact CB-CB 4Å; A150-L156 PolarHBondContact N-O 3.24Å; A150-F191 HydrophobicContact CB-CD2 4.04Å; A150-F191 HydrophobicContact CB-CE2 4.07Å
151	R	83	Confident	90.9	Very high	82 Å²	82	33.3 Å²	33.3	31%	0.309	18%	0.18	S	C	.	.	S	Bend	trans	-75.2	-31	179.2	-63.6	-173.7	-167.6	-101	15.5	113	T109 Y148 L233	T109-R151 HydrophobicContact CG2-CB 3.96Å; T109-R151 HydrophobicContact CG2-CG 4.35Å; T109-R151 VanDerWaalsContact CG2-O 3.29Å; T109-R151 WeakPolarHBondContact CG2-O 3.47Å; Y148-R151 PolarHBondContact OH-NE 2.93Å; Y148-R151 PolarHBondContact OH-NH2 3.32Å; R151-L233 PolarHBondContact NH2-O 2.96Å
152	R	79.6	Confident	90.9	Very high	152 Å²	152	30.1 Å²	30.1	57%	0.574	16%	0.159	S	C	*	.	S	Bend	trans	-129	150	-175.5	-63.5	-174.4	-178.4	176.2	5.5	110.3	D193 S195	R152-D193 IonicContact CZ-OD1 3.7Å; R152-D193 IonicContact CZ-OD2 3.68Å; R152-D193 IonicContact NE-OD1 3.66Å; R152-D193 IonicContact NE-OD2 2.67Å; R152-D193 PolarHBondContact NE-OD2 3.15Å; R152-D193 IonicContact NH1-OD2 3.97Å; R152-D193 PolarHBondContact NH1-OD2 2.54Å; R152-D193 IonicContact NH2-OD1 2.62Å; R152-D193 IonicContact NH2-OD2 2.72Å; R152-D193 PolarHBondContact NH2-OD2 3.25Å; R152-D193 VanDerWaalsContact NH2-OD2 3.12Å; R152-S195 PolarHBondContact O-OG 3.15Å
153	G	78.9	Confident	90.8	Very high	63 Å²	63	29.8 Å²	29.8	65%	0.649	16%	0.155	S	C	*	.	S	Bend	trans	85	-151.4	174.1	0	0	0	0	0	113.7
154	P	79.3	Confident	90.7	Very high	72 Å²	72	25.3 Å²	25.3	47%	0.468	14%	0.136	S	C	.	.	S	Bend	trans	-64.4	150.6	-180	27.3	-31.8	0	0	0	110.6	L156	P154-L156 HydrophobicContact CG-CD1 4.13Å; P154-L156 HydrophobicContact CG-CG 4.13Å; P154-L156 PolarHBondContact O-N 2.8Å
155	Q	84.7	Confident	90.6	Very high	42 Å²	42	25.7 Å²	25.7	20%	0.196	14%	0.138	C	C	.	.			trans	-67.1	82.8	179.3	-70.5	-68.4	-35	0	0	111.1	N108 I171	N108-Q155 VanDerWaalsContact CG-NE2 3.31Å; N108-Q155 PolarHBondContact ND2-NE2 2.93Å; N108-Q155 PolarHBondContact OD1-NE2 3.47Å; N108-Q155 PolarHBondContact OD1-OE1 2.74Å; Q155-I171 HydrophobicContact CB-CD1 3.64Å; Q155-I171 HydrophobicContact CB-CG1 4.23Å; Q155-I171 HydrophobicContact CG-CD1 4.42Å; Q155-I171 PolarHBondContact O-N 2.68Å
156	L	91.3	Very high	90.6	Very high	21 Å²	21	25.2 Å²	25.2	11%	0.11	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	145.3	176.8	-65.1	176.3	0	0	0	109.9	P149 A150 P154 L168 W169 D170 I177 F191	P149-L156 CarbonylContact C-O 3.59Å; P149-L156 WeakPolarHBondContact CA-O 3.21Å; A150-L156 HydrophobicContact CB-CB 4Å; A150-L156 PolarHBondContact N-O 3.24Å; P154-L156 HydrophobicContact CG-CD1 4.13Å; P154-L156 HydrophobicContact CG-CG 4.13Å; P154-L156 PolarHBondContact O-N 2.8Å; L156-L168 HydrophobicContact CB-CD1 4.11Å; L156-L168 HydrophobicContact CD1-CD1 4.44Å; L156-L168 HydrophobicContact CD2-CD1 4.46Å; L156-W169 CarbonylContact C-O 3.55Å; L156-W169 VanDerWaalsContact CA-O 3.27Å; L156-W169 WeakPolarHBondContact CA-O 3.38Å; L156-D170 HydrophobicContact CD2-CB 3.89Å; L156-I177 HydrophobicContact CD2-CD1 3.66Å; L156-F191 HydrophobicContact CB-CZ 4.29Å
157	V	92.9	Very high	90.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.4	176.2	-174.5	0	0	0	0	108.2	F115 C147 T159 W169 I171	F115-V157 HydrophobicContact CD1-CG1 4.48Å; F115-V157 HydrophobicContact CD1-CG2 3.66Å; F115-V157 HydrophobicContact CE1-CG2 3.47Å; F115-V157 VanDerWaalsContact CE1-CG2 3.47Å; F115-V157 HydrophobicContact CE2-CG2 4.41Å; F115-V157 HydrophobicContact CG-CG2 4.23Å; F115-V157 HydrophobicContact CZ-CG2 3.89Å; C147-V157 HydrophobicContact CB-CG1 4.28Å; V157-T159 HydrophobicContact CG1-CG2 4.09Å; V157-W169 HydrophobicContact CB-CB 4.31Å; V157-W169 PolarHBondContact N-O 2.91Å; V157-W169 PolarHBondContact O-N 3.28Å; V157-I171 HydrophobicContact CG2-CD1 4.48Å; V157-I171 HydrophobicContact CG2-CG1 4.3Å
158	C	93.6	Very high	90.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.3	169.3	61.7	0	0	0	0	109.2	C147 Y148 K167 V189 F191 I198	C147-C158 CarbonylContact C-O 3.5Å; C147-C158 VanDerWaalsContact CA-O 3.25Å; C147-C158 WeakPolarHBondContact CA-O 3.3Å; Y148-C158 PolarHBondContact N-O 2.83Å; Y148-C158 PolarHBondContact O-N 3.22Å; Y148-C158 PolarHBondContact O-SG 2.75Å; C158-K167 CarbonylContact C-O 3.59Å; C158-K167 WeakPolarHBondContact CA-O 3.42Å; C158-V189 HydrophobicContact CB-CG1 3.93Å; C158-V189 WeakPolarHBondContact SG-CG1 3.46Å; C158-F191 HydrophobicContact CB-CD2 4.2Å; C158-F191 HydrophobicContact CB-CE1 4.07Å; C158-F191 HydrophobicContact CB-CE2 3.55Å; C158-F191 HydrophobicContact CB-CZ 3.46Å; C158-F191 VanDerWaalsContact CB-CZ 3.46Å; C158-F191 VanDerWaalsContact N-CE2 3.27Å; C158-F191 WeakPolarHBondContact SG-CD2 3.13Å; C158-F191 WeakPolarHBondContact SG-CE2 3.47Å; C158-I198 HydrophobicContact CB-CD1 4.02Å; C158-I198 HydrophobicContact CB-CG1 4.32Å; C158-I198 HydrophobicContact CB-CG2 4.45Å
159	T	95.3	Very high	90.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.4	-178.4	60.1	0	0	0	0	109.7	V123 H140 T146 C147 V157 V166 K167 W169	V123-T159 HydrophobicContact CB-CG2 4.46Å; V123-T159 HydrophobicContact CG1-CG2 4.44Å; V123-T159 HydrophobicContact CG2-CG2 3.62Å; H140-T159 PolarHBondContact NE2-OG1 3.3Å; T146-T159 VanDerWaalsContact O-CA 3.27Å; T146-T159 WeakPolarHBondContact O-CA 3.45Å; C147-T159 HydrophobicContact CB-CG2 4.06Å; V157-T159 HydrophobicContact CG1-CG2 4.09Å; T159-V166 CarbonylContact O-C 3.53Å; T159-V166 VanDerWaalsContact O-CA 3.26Å; T159-V166 WeakPolarHBondContact O-CA 3.49Å; T159-K167 PolarHBondContact N-O 2.81Å; T159-K167 PolarHBondContact O-N 3.42Å; T159-K167 PolarHBondContact OG1-O 3.32Å; T159-W169 PolarHBondContact OG1-NE1 3.48Å
160	G	94.8	Very high	90.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.7	175.9	0	0	0	0	0	110.6	V144 N145 T146	V144-G160 WeakPolarHBondContact CG1-O 3.47Å; N145-G160 PolarHBondContact N-O 3.21Å; T146-G160 PolarHBondContact N-O 2.85Å; T146-G160 PolarHBondContact O-N 2.83Å
161	S	95.2	Very high	90.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.5	-175.5	175.9	0	0	0	0	112.3	H140 S142 F143 D163 G164 T165 V186	H140-S161 WeakPolarHBondContact ND1-CB 3.47Å; S142-S161 PolarHBondContact O-OG 3.25Å; F143-S161 VanDerWaalsContact O-CA 3.23Å; F143-S161 WeakPolarHBondContact O-CA 3.33Å; F143-S161 VanDerWaalsContact O-CB 3.24Å; F143-S161 WeakPolarHBondContact O-CB 3.25Å; F143-S161 PolarHBondContact O-OG 2.91Å; S161-D163 VanDerWaalsContact CB-OD1 3.25Å; S161-D163 WeakPolarHBondContact CB-OD1 3.45Å; S161-D163 PolarHBondContact O-N 3.06Å; S161-D163 PolarHBondContact OG-N 2.85Å; S161-D163 PolarHBondContact OG-OD1 3.22Å; S161-G164 PolarHBondContact O-N 2.71Å; S161-G164 VanDerWaalsContact O-N 3.1Å; S161-T165 PolarHBondContact N-O 2.55Å; S161-V186 PolarHBondContact O-N 2.61Å
162	D	94.2	Very high	90.3	Very high	33 Å²	33	33.1 Å²	33.1	18%	0.176	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.9	170.3	-79.6	-14.4	0	0	0	114.1	S142 F143 N145 G164 Q185	S142-D162 WeakPolarHBondContact OG-CB 3.42Å; F143-D162 PolarHBondContact O-N 3.17Å; N145-D162 PolarHBondContact ND2-OD1 3.3Å; D162-G164 PolarHBondContact O-N 3.44Å; D162-Q185 HydrophobicContact CB-CG 4.4Å; D162-Q185 WeakPolarHBondContact O-CG 3.35Å
163	D	92.1	Very high	90.6	Very high	27 Å²	27	31.6 Å²	31.6	14%	0.144	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	1.1	170.4	63.2	16.7	0	0	0	112.9	H140 T141 S161 T165 Q181	H140-D163 IonicContact CG-OD2 3.86Å; H140-D163 IonicContact ND1-OD1 3.67Å; H140-D163 IonicContact ND1-OD2 3.24Å; H140-D163 PolarHBondContact ND1-OD2 2.79Å; T141-D163 PolarHBondContact N-OD2 2.91Å; T141-D163 WeakPolarHBondContact OG1-CB 3.5Å; T141-D163 PolarHBondContact OG1-OD2 3.12Å; S161-D163 VanDerWaalsContact CB-OD1 3.25Å; S161-D163 WeakPolarHBondContact CB-OD1 3.45Å; S161-D163 PolarHBondContact O-N 3.06Å; S161-D163 PolarHBondContact OG-N 2.85Å; S161-D163 PolarHBondContact OG-OD1 3.22Å; D163-T165 PolarHBondContact O-N 3.3Å; D163-T165 WeakPolarHBondContact OD1-CA 3.25Å; D163-T165 WeakPolarHBondContact OD1-CB 3.36Å; D163-T165 WeakPolarHBondContact OD1-CG2 3.27Å; D163-T165 PolarHBondContact OD1-N 2.96Å; D163-T165 PolarHBondContact OD1-OG1 3Å; D163-T165 PolarHBondContact OD2-OG1 3.32Å; D163-Q181 PolarHBondContact O-NE2 3.14Å
164	G	91.2	Very high	90.6	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.031	17%	0.173	C	C	.	.	S	Bend	trans	72.7	8.3	-176	0	0	0	0	0	112.9	S161 D162 N182 Y184	S161-G164 PolarHBondContact O-N 2.71Å; S161-G164 VanDerWaalsContact O-N 3.1Å; D162-G164 PolarHBondContact O-N 3.44Å; G164-N182 VanDerWaalsContact O-CA 3.29Å; G164-N182 WeakPolarHBondContact O-CA 3.41Å; G164-N182 WeakPolarHBondContact O-CB 3.25Å; G164-N182 PolarHBondContact O-N 3.34Å; G164-Y184 VanDerWaalsContact CA-O 3.25Å; G164-Y184 WeakPolarHBondContact CA-O 3.46Å
165	T	94.1	Very high	90.8	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.7	177	70.9	0	0	0	0	111.6	H140 S161 D163 K167 T179 F180	H140-T165 PolarHBondContact CE1-OG1 3.37Å; H140-T165 PolarHBondContact ND1-OG1 3.1Å; H140-T165 VanDerWaalsContact ND1-OG1 3.15Å; S161-T165 PolarHBondContact N-O 2.55Å; D163-T165 PolarHBondContact O-N 3.3Å; D163-T165 WeakPolarHBondContact OD1-CA 3.25Å; D163-T165 WeakPolarHBondContact OD1-CB 3.36Å; D163-T165 WeakPolarHBondContact OD1-CG2 3.27Å; D163-T165 PolarHBondContact OD1-N 2.96Å; D163-T165 PolarHBondContact OD1-OG1 3Å; D163-T165 PolarHBondContact OD2-OG1 3.32Å; T165-K167 VanDerWaalsContact OG1-CE 3.27Å; T165-K167 WeakPolarHBondContact OG1-CE 3.43Å; T165-T179 HydrophobicContact CG2-CG2 3.98Å; T165-F180 CarbonylContact C-O 3.59Å; T165-F180 WeakPolarHBondContact CA-O 3.39Å
166	V	94.8	Very high	90.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118	161.7	-175.1	0	0	0	0	107.4	T159 F180 V186 V189 I198	T159-V166 CarbonylContact O-C 3.53Å; T159-V166 VanDerWaalsContact O-CA 3.26Å; T159-V166 WeakPolarHBondContact O-CA 3.49Å; V166-F180 HydrophobicContact CB-CB 4.17Å; V166-F180 HydrophobicContact CB-CD2 4.47Å; V166-F180 PolarHBondContact N-O 3.3Å; V166-F180 PolarHBondContact O-N 3.1Å; V166-V186 HydrophobicContact CG2-CB 4.35Å; V166-V186 HydrophobicContact CG2-CG1 4.06Å; V166-V186 HydrophobicContact CG2-CG2 3.8Å; V166-V189 HydrophobicContact CG1-CG1 4.08Å; V166-V189 HydrophobicContact CG1-CG2 4.22Å; V166-V189 HydrophobicContact CG2-CG2 4.31Å; V166-I198 HydrophobicContact CG1-CG2 3.94Å
167	K	94.5	Very high	90.8	Very high	27 Å²	27	37.8 Å²	37.8	12%	0.117	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.6	-178.5	-65.1	-170.7	-176.4	-154.9	0	110.9	G139 C158 T159 T165 W169 A176 H178 T179	G139-K167 PolarHBondContact O-NZ 3.04Å; C158-K167 CarbonylContact C-O 3.59Å; C158-K167 WeakPolarHBondContact CA-O 3.42Å; T159-K167 PolarHBondContact N-O 2.81Å; T159-K167 PolarHBondContact O-N 3.42Å; T159-K167 PolarHBondContact OG1-O 3.32Å; T165-K167 VanDerWaalsContact OG1-CE 3.27Å; T165-K167 WeakPolarHBondContact OG1-CE 3.43Å; K167-W169 HydrophobicContact CB-CZ2 4.23Å; K167-W169 HydrophobicContact CD-CZ2 3.97Å; K167-A176 HydrophobicContact CB-CB 4.49Å; K167-A176 HydrophobicContact CD-CB 4.27Å; K167-H178 WeakPolarHBondContact CA-O 3.45Å; K167-T179 HydrophobicContact CD-CG2 4.48Å; K167-T179 HydrophobicContact CG-CG2 4.08Å
168	L	94.3	Very high	90.7	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.8	170.6	-177.8	68.8	0	0	0	109.3	L156 A176 I177 H178 F191 I198 L212	L156-L168 HydrophobicContact CB-CD1 4.11Å; L156-L168 HydrophobicContact CD1-CD1 4.44Å; L156-L168 HydrophobicContact CD2-CD1 4.46Å; L168-A176 CarbonylContact O-C 3.59Å; L168-I177 HydrophobicContact CD2-CB 4.27Å; L168-I177 HydrophobicContact CD2-CD1 4.05Å; L168-I177 HydrophobicContact CD2-CG2 4.49Å; L168-I177 HydrophobicContact CG-CB 4.42Å; L168-I177 HydrophobicContact CG-CD1 4.13Å; L168-I177 PolarHBondContact O-N 3.24Å; L168-H178 HydrophobicContact CB-CB 4.13Å; L168-H178 PolarHBondContact N-O 3.22Å; L168-F191 HydrophobicContact CD1-CE1 3.98Å; L168-F191 HydrophobicContact CD1-CZ 3.45Å; L168-F191 VanDerWaalsContact CD1-CZ 3.45Å; L168-I198 HydrophobicContact CD1-CD1 4.45Å; L168-L212 HydrophobicContact CD2-CD1 4.29Å; L168-L212 HydrophobicContact CD2-CD2 3.81Å
169	W	93	Very high	90.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.2	178.8	-56.7	89.6	0	0	0	110	L137 K138 L156 V157 T159 K167 A176	L137-W169 HydrophobicContact CB-CD2 4.21Å; L137-W169 HydrophobicContact CB-CE3 4.02Å; L137-W169 HydrophobicContact CB-CZ3 4.17Å; L137-W169 HydrophobicContact CD1-CB 3.92Å; L137-W169 HydrophobicContact CD1-CD2 4.17Å; L137-W169 HydrophobicContact CD1-CE3 4.38Å; L137-W169 HydrophobicContact CD1-CG 3.97Å; L137-W169 HydrophobicContact CD2-CE3 4.06Å; L137-W169 HydrophobicContact CG-CE3 4.37Å; K138-W169 WeakPolarHBondContact O-CH2 3.44Å; L156-W169 CarbonylContact C-O 3.55Å; L156-W169 VanDerWaalsContact CA-O 3.27Å; L156-W169 WeakPolarHBondContact CA-O 3.38Å; V157-W169 HydrophobicContact CB-CB 4.31Å; V157-W169 PolarHBondContact N-O 2.91Å; V157-W169 PolarHBondContact O-N 3.28Å; T159-W169 PolarHBondContact OG1-NE1 3.48Å; K167-W169 HydrophobicContact CB-CZ2 4.23Å; K167-W169 HydrophobicContact CD-CZ2 3.97Å; W169-A176 HydrophobicContact CD2-CB 4.37Å; W169-A176 HydrophobicContact CE3-CB 4.14Å; W169-A176 HydrophobicContact CH2-CB 3.97Å; W169-A176 HydrophobicContact CZ2-CB 4.2Å; W169-A176 HydrophobicContact CZ3-CB 3.94Å
170	D	91.1	Very high	90.4	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126	163.8	167.4	5.8	0	0	0	106.4	L156 R172 K173 I177	L156-D170 HydrophobicContact CD2-CB 3.89Å; D170-R172 PolarHBondContact O-N 2.87Å; D170-R172 VanDerWaalsContact O-N 3.14Å; D170-R172 WeakPolarHBondContact OD1-CB 3.31Å; D170-R172 PolarHBondContact OD1-N 2.89Å; D170-K173 HydrophobicContact CB-CB 4.39Å; D170-K173 HydrophobicContact CB-CD 4.5Å; D170-K173 HydrophobicContact CB-CG 4.45Å; D170-K173 CarbonylContact O-C 3.58Å; D170-K173 PolarHBondContact O-N 3.47Å; D170-I177 HydrophobicContact CB-CD1 3.32Å; D170-I177 HydrophobicContact CB-CG1 3.96Å
171	I	85.2	Confident	90.2	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.097	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.2	-177.3	-58.8	175.4	0	0	0	111	L113 F115 K135 Q155 V157 K173	L113-I171 HydrophobicContact CD1-CD1 4.04Å; F115-I171 HydrophobicContact CE1-CD1 3.42Å; F115-I171 VanDerWaalsContact CE1-CD1 3.42Å; F115-I171 HydrophobicContact CE1-CG1 4.1Å; F115-I171 HydrophobicContact CZ-CD1 3.38Å; F115-I171 HydrophobicContact CZ-CG1 4.45Å; K135-I171 HydrophobicContact CD-CG2 4.13Å; K135-I171 WeakPolarHBondContact CD-O 3.46Å; K135-I171 PolarHBondContact NZ-O 2.82Å; Q155-I171 HydrophobicContact CB-CD1 3.64Å; Q155-I171 HydrophobicContact CB-CG1 4.23Å; Q155-I171 HydrophobicContact CG-CD1 4.42Å; Q155-I171 PolarHBondContact O-N 2.68Å; V157-I171 HydrophobicContact CG2-CD1 4.48Å; V157-I171 HydrophobicContact CG2-CG1 4.3Å; I171-K173 VanDerWaalsContact C-N 3.32Å
172	R	86.8	Confident	89.9	Confident	200 Å²	200	51 Å²	51	76%	0.755	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-32.6	179.9	-60.6	176.9	-179.8	179.3	0.8	111.5	D170	D170-R172 PolarHBondContact O-N 2.87Å; D170-R172 VanDerWaalsContact O-N 3.14Å; D170-R172 WeakPolarHBondContact OD1-CB 3.31Å; D170-R172 PolarHBondContact OD1-N 2.89Å
173	K	86.1	Confident	89.6	Confident	120 Å²	120	54.7 Å²	54.7	52%	0.522	28%	0.277	S	S	.	.	S	Bend	trans	-92.7	147.3	179.3	-62.7	-180	-173.8	177.8	0	110.1	D170 I171	D170-K173 HydrophobicContact CB-CB 4.39Å; D170-K173 HydrophobicContact CB-CD 4.5Å; D170-K173 HydrophobicContact CB-CG 4.45Å; D170-K173 CarbonylContact O-C 3.58Å; D170-K173 PolarHBondContact O-N 3.47Å; I171-K173 VanDerWaalsContact C-N 3.32Å
174	K	78.4	Confident	89.7	Confident	191 Å²	191	60.3 Å²	60.3	83%	0.83	30%	0.297	S	S	*	.	S	Bend	trans	-86.7	-8.5	177.5	-68.7	-175.5	-179.6	179	0	113.4
175	G	82.5	Confident	89.7	Confident	41 Å²	41	63.9 Å²	63.9	42%	0.423	31%	0.313	S	S	.	.	S	Bend	trans	-112.9	161.2	-178.6	0	0	0	0	0	112.7
176	A	87.6	Confident	89.8	Confident	39 Å²	39	63.5 Å²	63.5	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.7	170.5	0	0	0	0	0	109.7	K167 L168 W169	K167-A176 HydrophobicContact CB-CB 4.49Å; K167-A176 HydrophobicContact CD-CB 4.27Å; L168-A176 CarbonylContact O-C 3.59Å; W169-A176 HydrophobicContact CD2-CB 4.37Å; W169-A176 HydrophobicContact CE3-CB 4.14Å; W169-A176 HydrophobicContact CH2-CB 3.97Å; W169-A176 HydrophobicContact CZ2-CB 4.2Å; W169-A176 HydrophobicContact CZ3-CB 3.94Å
177	I	89.1	Confident	89.8	Confident	58 Å²	58	64.3 Å²	64.3	30%	0.297	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-54.1	177.8	-53.9	170.8	0	0	0	109.5	L156 L168 D170	L156-I177 HydrophobicContact CD2-CD1 3.66Å; L168-I177 HydrophobicContact CD2-CB 4.27Å; L168-I177 HydrophobicContact CD2-CD1 4.05Å; L168-I177 HydrophobicContact CD2-CG2 4.49Å; L168-I177 HydrophobicContact CG-CB 4.42Å; L168-I177 HydrophobicContact CG-CD1 4.13Å; L168-I177 PolarHBondContact O-N 3.24Å; D170-I177 HydrophobicContact CB-CD1 3.32Å; D170-I177 HydrophobicContact CB-CG1 3.96Å
178	H	89.9	Confident	89.7	Confident	60 Å²	60	63 Å²	63	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145	-178.7	-68.2	-48.4	0	0	0	109.7	K167 L168 F180 N215	K167-H178 WeakPolarHBondContact CA-O 3.45Å; L168-H178 HydrophobicContact CB-CB 4.13Å; L168-H178 PolarHBondContact N-O 3.22Å; H178-F180 HydrophobicContact CB-CE2 3.99Å; H178-F180 HydrophobicContact CB-CZ 4.06Å; H178-N215 PolarHBondContact CD2-OD1 3.36Å; H178-N215 PolarHBondContact CE1-ND2 2.96Å; H178-N215 VanDerWaalsContact CE1-ND2 3.25Å
179	T	92.4	Very high	89.8	Confident	75 Å²	75	62.9 Å²	62.9	46%	0.46	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.7	173.1	-61.6	0	0	0	0	106.9	T165 K167	T165-T179 HydrophobicContact CG2-CG2 3.98Å; K167-T179 HydrophobicContact CD-CG2 4.48Å; K167-T179 HydrophobicContact CG-CG2 4.08Å
180	F	91.6	Very high	89.8	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.035	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118	172.4	-58.3	-73.9	0	0	0	107.8	T165 V166 H178 I198 W210 L212 N215	T165-F180 CarbonylContact C-O 3.59Å; T165-F180 WeakPolarHBondContact CA-O 3.39Å; V166-F180 HydrophobicContact CB-CB 4.17Å; V166-F180 HydrophobicContact CB-CD2 4.47Å; V166-F180 PolarHBondContact N-O 3.3Å; V166-F180 PolarHBondContact O-N 3.1Å; H178-F180 HydrophobicContact CB-CE2 3.99Å; H178-F180 HydrophobicContact CB-CZ 4.06Å; F180-I198 HydrophobicContact CD2-CD1 4.37Å; F180-I198 HydrophobicContact CE2-CD1 3.92Å; F180-W210 HydrophobicContact CB-CD2 4.29Å; F180-W210 HydrophobicContact CB-CE3 4.24Å; F180-W210 HydrophobicContact CB-CZ3 4.4Å; F180-W210 HydrophobicContact CD1-CD2 4.28Å; F180-W210 AromaticContact CD1-CE3 3.79Å; F180-W210 HydrophobicContact CD1-CE3 3.79Å; F180-W210 HydrophobicContact CD1-CZ3 4.34Å; F180-W210 HydrophobicContact CG-CD2 4.3Å; F180-W210 HydrophobicContact CG-CE3 4.2Å; F180-L212 HydrophobicContact CE2-CD2 3.96Å; F180-L212 HydrophobicContact CZ-CD2 4.03Å; F180-N215 HydrophobicContact CE1-CB 4Å; F180-N215 WeakPolarHBondContact CZ-OD1 3.24Å
181	Q	90	Very high	89.9	Confident	124 Å²	124	61.9 Å²	61.9	58%	0.579	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.6	176.5	-173	66.6	54.7	0	0	109	D163	D163-Q181 PolarHBondContact O-NE2 3.14Å
182	N	88.4	Confident	90.2	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.059	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-99.7	161.6	165.8	-158.7	25.6	0	0	0	110.6	G164 Y184 V186 D204 K208	G164-N182 VanDerWaalsContact O-CA 3.29Å; G164-N182 WeakPolarHBondContact O-CA 3.41Å; G164-N182 WeakPolarHBondContact O-CB 3.25Å; G164-N182 PolarHBondContact O-N 3.34Å; N182-Y184 PolarHBondContact ND2-O 3.33Å; N182-V186 HydrophobicContact CB-CG2 4.31Å; N182-D204 PolarHBondContact ND2-OD1 2.89Å; N182-D204 PolarHBondContact ND2-OD2 2.71Å; N182-D204 PolarHBondContact OD1-OD2 2.82Å; N182-K208 WeakPolarHBondContact OD1-CD 3.25Å; N182-K208 PolarHBondContact OD1-NZ 2.95Å
183	T	89	Confident	90.3	Very high	110 Å²	110	52.9 Å²	52.9	68%	0.675	27%	0.271	S	S	*	.	S	Bend	trans	-77.8	-34.6	-179.4	47.7	0	0	0	0	112.7
184	Y	92.7	Very high	90.3	Very high	144 Å²	144	50.7 Å²	50.7	57%	0.565	27%	0.267	S	S	*	.	S	Bend	trans	-124.3	176.7	175.3	-39.4	-99.9	0	0	0	112.5	G164 N182 D204	G164-Y184 VanDerWaalsContact CA-O 3.25Å; G164-Y184 WeakPolarHBondContact CA-O 3.46Å; N182-Y184 PolarHBondContact ND2-O 3.33Å; Y184-D204 WeakPolarHBondContact CB-OD1 3.18Å; Y184-D204 HydrophobicContact CD2-CB 4.33Å; Y184-D204 VanDerWaalsContact CD2-CG 3.46Å; Y184-D204 VanDerWaalsContact CD2-OD1 3.25Å; Y184-D204 WeakPolarHBondContact CD2-OD1 3.49Å
185	Q	93.2	Very high	90.6	Very high	78 Å²	78	42.4 Å²	42.4	36%	0.364	23%	0.234	S	C	.	.			trans	-62.4	139.7	-172.9	-54.5	-178.6	-36.2	0	0	111.4	D162 G202 I203	D162-Q185 HydrophobicContact CB-CG 4.4Å; D162-Q185 WeakPolarHBondContact O-CG 3.35Å; Q185-G202 WeakPolarHBondContact O-CA 3.49Å; Q185-I203 HydrophobicContact CB-CD1 3.79Å; Q185-I203 HydrophobicContact CB-CG1 4.21Å; Q185-I203 HydrophobicContact CG-CD1 4.16Å; Q185-I203 PolarHBondContact O-N 3.4Å; Q185-I203 VanDerWaalsContact O-N 3.12Å
186	V	94.8	Very high	90.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.1	178.9	-175.5	0	0	0	0	108.7	N145 S161 V166 N182 V189	N145-V186 PolarHBondContact ND2-O 2.92Å; S161-V186 PolarHBondContact O-N 2.61Å; V166-V186 HydrophobicContact CG2-CB 4.35Å; V166-V186 HydrophobicContact CG2-CG1 4.06Å; V166-V186 HydrophobicContact CG2-CG2 3.8Å; N182-V186 HydrophobicContact CB-CG2 4.31Å; V186-V189 HydrophobicContact CG1-CG2 3.41Å; V186-V189 VanDerWaalsContact CG1-CG2 3.41Å
187	L	94.4	Very high	91.1	Very high	16 Å²	16	43.4 Å²	43.4	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-34.7	-174.1	-59.6	-177.1	0	0	0	112.1	G201 I203 V228 L278 R280	L187-G201 PolarHBondContact N-O 3.17Å; L187-I203 HydrophobicContact CD1-CG1 4.07Å; L187-I203 HydrophobicContact CD2-CG1 4.43Å; L187-I203 HydrophobicContact CG-CG1 4.24Å; L187-V228 WeakPolarHBondContact CB-O 3.49Å; L187-L278 HydrophobicContact CB-CD2 4.16Å; L187-L278 HydrophobicContact CD1-CD2 4.06Å; L187-L278 HydrophobicContact CD2-CD2 4.01Å; L187-L278 HydrophobicContact CG-CD2 4.3Å; L187-R280 PolarHBondContact O-NH1 3.23Å
188	A	93.7	Very high	91.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138	-179.1	0	0	0	0	0	110.9	G201 L231	A188-G201 PolarHBondContact N-O 2.81Å; A188-G201 PolarHBondContact O-N 2.83Å; A188-L231 HydrophobicContact CB-CB 3.95Å; A188-L231 HydrophobicContact CB-CD1 4.36Å; A188-L231 HydrophobicContact CB-CG 3.87Å
189	V	95	Very high	91.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.7	175.8	-177.1	0	0	0	0	108.8	T146 Y148 C158 V166 V186 I198 L199	T146-V189 HydrophobicContact CG2-CB 3.85Å; T146-V189 HydrophobicContact CG2-CG2 3.59Å; T146-V189 PolarHBondContact OG1-N 2.72Å; T146-V189 VanDerWaalsContact OG1-N 3.15Å; Y148-V189 WeakPolarHBondContact CB-O 3.44Å; C158-V189 HydrophobicContact CB-CG1 3.93Å; C158-V189 WeakPolarHBondContact SG-CG1 3.46Å; V166-V189 HydrophobicContact CG1-CG1 4.08Å; V166-V189 HydrophobicContact CG1-CG2 4.22Å; V166-V189 HydrophobicContact CG2-CG2 4.31Å; V186-V189 HydrophobicContact CG1-CG2 3.41Å; V186-V189 VanDerWaalsContact CG1-CG2 3.41Å; V189-I198 HydrophobicContact CG1-CG2 3.42Å; V189-I198 VanDerWaalsContact CG1-CG2 3.42Å; V189-L199 CarbonylContact C-O 3.57Å; V189-L199 VanDerWaalsContact CA-O 3.29Å; V189-L199 WeakPolarHBondContact CA-O 3.46Å
190	T	94	Very high	91.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	156	170.7	-168.3	0	0	0	0	110.7	Y148 L199 L231 L240	Y148-T190 WeakPolarHBondContact CE1-OG1 3.18Å; T190-L199 HydrophobicContact CG2-CB 3.79Å; T190-L199 HydrophobicContact CG2-CD1 3.84Å; T190-L199 HydrophobicContact CG2-CG 4.35Å; T190-L199 PolarHBondContact N-O 2.82Å; T190-L199 PolarHBondContact O-N 2.83Å; T190-L231 HydrophobicContact CG2-CB 4.13Å; T190-L240 HydrophobicContact CG2-CD1 3.65Å
191	F	93.3	Very high	91.8	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	157	170.6	-81.5	-68.8	0	0	0	110.7	Y148 A150 L156 C158 L168 I198 L212 L233	Y148-F191 HydrophobicContact CD1-CB 4.13Å; Y148-F191 HydrophobicContact CD1-CD2 4.09Å; Y148-F191 HydrophobicContact CE1-CB 4.42Å; Y148-F191 WeakPolarHBondContact O-CD2 3.39Å; Y148-F191 VanDerWaalsContact O-CE2 3.27Å; Y148-F191 WeakPolarHBondContact O-CE2 3.12Å; A150-F191 HydrophobicContact CB-CD2 4.04Å; A150-F191 HydrophobicContact CB-CE2 4.07Å; L156-F191 HydrophobicContact CB-CZ 4.29Å; C158-F191 HydrophobicContact CB-CD2 4.2Å; C158-F191 HydrophobicContact CB-CE1 4.07Å; C158-F191 HydrophobicContact CB-CE2 3.55Å; C158-F191 HydrophobicContact CB-CZ 3.46Å; C158-F191 VanDerWaalsContact CB-CZ 3.46Å; C158-F191 VanDerWaalsContact N-CE2 3.27Å; C158-F191 WeakPolarHBondContact SG-CD2 3.13Å; C158-F191 WeakPolarHBondContact SG-CE2 3.47Å; L168-F191 HydrophobicContact CD1-CE1 3.98Å; L168-F191 HydrophobicContact CD1-CZ 3.45Å; L168-F191 VanDerWaalsContact CD1-CZ 3.45Å; F191-I198 HydrophobicContact CD1-CG1 3.73Å; F191-I198 HydrophobicContact CE1-CD1 3.93Å; F191-I198 HydrophobicContact CE1-CG1 3.43Å; F191-I198 VanDerWaalsContact CE1-CG1 3.43Å; F191-I198 HydrophobicContact CZ-CD1 4.48Å; F191-I198 HydrophobicContact CZ-CG1 4.34Å; F191-L212 HydrophobicContact CE1-CD1 4.14Å; F191-L233 WeakPolarHBondContact O-CD2 3.28Å
192	N	91.4	Very high	91.9	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.07	15%	0.146	C	C	.	.			trans	-74.9	160.6	158.6	-164.7	-2.2	0	0	0	110.6	T194 S195 Q197	N192-T194 VanDerWaalsContact C-N 3.25Å; N192-T194 PolarHBondContact O-N 2.98Å; N192-S195 WeakPolarHBondContact O-CA 3.26Å; N192-S195 PolarHBondContact O-N 3.22Å; N192-Q197 HydrophobicContact CB-CB 3.96Å; N192-Q197 PolarHBondContact N-O 3.47Å; N192-Q197 PolarHBondContact ND2-OE1 3.13Å
193	D	88.4	Confident	92.2	Very high	18 Å²	18	30.9 Å²	30.9	10%	0.096	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.2	-179.4	-173.6	52.4	0	0	0	112.5	R152 S195 L233	R152-D193 IonicContact CZ-OD1 3.7Å; R152-D193 IonicContact CZ-OD2 3.68Å; R152-D193 IonicContact NE-OD1 3.66Å; R152-D193 IonicContact NE-OD2 2.67Å; R152-D193 PolarHBondContact NE-OD2 3.15Å; R152-D193 IonicContact NH1-OD2 3.97Å; R152-D193 PolarHBondContact NH1-OD2 2.54Å; R152-D193 IonicContact NH2-OD1 2.62Å; R152-D193 IonicContact NH2-OD2 2.72Å; R152-D193 PolarHBondContact NH2-OD2 3.25Å; R152-D193 VanDerWaalsContact NH2-OD2 3.12Å; D193-S195 PolarHBondContact O-N 2.55Å; D193-L233 HydrophobicContact CB-CD2 4.18Å
194	T	85.9	Confident	92.2	Very high	73 Å²	73	26.7 Å²	26.7	45%	0.448	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-4.3	174.5	74	0	0	0	0	113.6	N192 D196	N192-T194 VanDerWaalsContact C-N 3.25Å; N192-T194 PolarHBondContact O-N 2.98Å; T194-D196 WeakPolarHBondContact CB-OD2 3.48Å; T194-D196 PolarHBondContact O-N 3.33Å; T194-D196 PolarHBondContact OG1-OD2 2.8Å
195	S	85.9	Confident	92.2	Very high	17 Å²	17	22.1 Å²	22.1	12%	0.119	12%	0.119	C	C	.	.	S	Bend	trans	59.5	6.1	-174.7	71.9	0	0	0	0	115.9	R152 N192 D193 L212	R152-S195 PolarHBondContact O-OG 3.15Å; N192-S195 WeakPolarHBondContact O-CA 3.26Å; N192-S195 PolarHBondContact O-N 3.22Å; D193-S195 PolarHBondContact O-N 2.55Å; S195-L212 WeakPolarHBondContact O-CD1 3.37Å
196	D	88.9	Confident	92.1	Very high	71 Å²	71	20 Å²	20	38%	0.38	11%	0.11	S	C	.	.	S	Bend	trans	-85.6	-22.2	-178.8	-61.3	-54	0	0	0	113.6	T194 L212	T194-D196 WeakPolarHBondContact CB-OD2 3.48Å; T194-D196 PolarHBondContact O-N 3.33Å; T194-D196 PolarHBondContact OG1-OD2 2.8Å; D196-L212 VanDerWaalsContact O-CB 3.29Å; D196-L212 WeakPolarHBondContact O-CB 3.25Å; D196-L212 VanDerWaalsContact O-CG 3.3Å; D196-L212 WeakPolarHBondContact O-CG 2.98Å; D196-L212 PolarHBondContact O-N 3.09Å
197	Q	91.4	Very high	92.1	Very high	31 Å²	31	20 Å²	20	15%	0.145	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.5	-174.6	-65.8	175.7	-5.2	0	0	111	N192 V209 W210 I218	N192-Q197 HydrophobicContact CB-CB 3.96Å; N192-Q197 PolarHBondContact N-O 3.47Å; N192-Q197 PolarHBondContact ND2-OE1 3.13Å; Q197-V209 HydrophobicContact CB-CG1 4.31Å; Q197-W210 CarbonylContact C-O 3.54Å; Q197-W210 VanDerWaalsContact CA-O 3.23Å; Q197-W210 WeakPolarHBondContact CA-O 2.96Å; Q197-I218 HydrophobicContact CG-CD1 4.17Å
198	I	94.1	Very high	92	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132	170.1	-63.3	172.2	0	0	0	108.9	C158 V166 L168 F180 V189 F191 V209 W210 L212	C158-I198 HydrophobicContact CB-CD1 4.02Å; C158-I198 HydrophobicContact CB-CG1 4.32Å; C158-I198 HydrophobicContact CB-CG2 4.45Å; V166-I198 HydrophobicContact CG1-CG2 3.94Å; L168-I198 HydrophobicContact CD1-CD1 4.45Å; F180-I198 HydrophobicContact CD2-CD1 4.37Å; F180-I198 HydrophobicContact CE2-CD1 3.92Å; V189-I198 HydrophobicContact CG1-CG2 3.42Å; V189-I198 VanDerWaalsContact CG1-CG2 3.42Å; F191-I198 HydrophobicContact CD1-CG1 3.73Å; F191-I198 HydrophobicContact CE1-CD1 3.93Å; F191-I198 HydrophobicContact CE1-CG1 3.43Å; F191-I198 VanDerWaalsContact CE1-CG1 3.43Å; F191-I198 HydrophobicContact CZ-CD1 4.48Å; F191-I198 HydrophobicContact CZ-CG1 4.34Å; I198-V209 WeakPolarHBondContact O-CA 3.02Å; I198-W210 HydrophobicContact CB-CB 4.3Å; I198-W210 PolarHBondContact N-O 2.79Å; I198-W210 PolarHBondContact O-N 2.91Å; I198-L212 HydrophobicContact CD1-CD2 3.48Å; I198-L212 VanDerWaalsContact CD1-CD2 3.48Å; I198-L212 HydrophobicContact CD1-CG 4.44Å; I198-L212 HydrophobicContact CG1-CD2 3.94Å; I198-L212 HydrophobicContact CG1-CG 4.4Å
199	L	94.2	Very high	92	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.9	174.5	-56.6	169.6	0	0	0	107.7	V189 T190 V209 L233 L240 V254	V189-L199 CarbonylContact C-O 3.57Å; V189-L199 VanDerWaalsContact CA-O 3.29Å; V189-L199 WeakPolarHBondContact CA-O 3.46Å; T190-L199 HydrophobicContact CG2-CB 3.79Å; T190-L199 HydrophobicContact CG2-CD1 3.84Å; T190-L199 HydrophobicContact CG2-CG 4.35Å; T190-L199 PolarHBondContact N-O 2.82Å; T190-L199 PolarHBondContact O-N 2.83Å; L199-V209 HydrophobicContact CD2-CB 4.01Å; L199-V209 HydrophobicContact CD2-CG1 3.75Å; L199-V209 HydrophobicContact CD2-CG2 3.37Å; L199-L233 HydrophobicContact CD1-CD1 4.14Å; L199-L240 HydrophobicContact CD1-CB 4.46Å; L199-L240 HydrophobicContact CD1-CD1 3.84Å; L199-L240 HydrophobicContact CD1-CD2 3.97Å; L199-L240 HydrophobicContact CD1-CG 4.3Å; L199-V254 HydrophobicContact CD1-CG1 4.14Å; L199-V254 HydrophobicContact CD1-CG2 4.13Å; L199-V254 HydrophobicContact CD2-CG1 4.15Å
200	S	94.4	Very high	91.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.5	178.8	64.4	0	0	0	0	111	I207 K208 W210	S200-I207 WeakPolarHBondContact O-CA 3.11Å; S200-K208 PolarHBondContact N-O 3.46Å; S200-K208 PolarHBondContact O-N 3.49Å; S200-K208 WeakPolarHBondContact OG-CB 3.5Å; S200-K208 PolarHBondContact OG-O 3.48Å; S200-W210 PolarHBondContact OG-NE1 2.85Å
201	G	94.5	Very high	91.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.2	172.7	0	0	0	0	0	109.7	L187 A188 L231	L187-G201 PolarHBondContact N-O 3.17Å; A188-G201 PolarHBondContact N-O 2.81Å; A188-G201 PolarHBondContact O-N 2.83Å; G201-L231 VanDerWaalsContact N-CD1 3.3Å
202	G	92.5	Very high	91.6	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-161.4	-175.6	0	0	0	0	0	112.8	Q185 D204 V228	Q185-G202 WeakPolarHBondContact O-CA 3.49Å; G202-D204 PolarHBondContact O-N 2.85Å; G202-V228 PolarHBondContact O-N 2.57Å
203	I	93.7	Very high	91.5	Very high	68 Å²	68	32.6 Å²	32.6	35%	0.349	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.3	175.8	-56.3	-179	0	0	0	111.6	Q185 L187 N205	Q185-I203 HydrophobicContact CB-CD1 3.79Å; Q185-I203 HydrophobicContact CB-CG1 4.21Å; Q185-I203 HydrophobicContact CG-CD1 4.16Å; Q185-I203 PolarHBondContact O-N 3.4Å; Q185-I203 VanDerWaalsContact O-N 3.12Å; L187-I203 HydrophobicContact CD1-CG1 4.07Å; L187-I203 HydrophobicContact CD2-CG1 4.43Å; L187-I203 HydrophobicContact CG-CG1 4.24Å; I203-N205 PolarHBondContact O-N 3.47Å; I203-N205 PolarHBondContact O-OD1 2.76Å; I203-N205 VanDerWaalsContact O-OD1 3.12Å
204	D	89.5	Confident	91.4	Very high	23 Å²	23	37.9 Å²	37.9	12%	0.123	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-1.5	176.5	-50.2	29.8	0	0	0	113.4	N182 Y184 G202 D206 K208	N182-D204 PolarHBondContact ND2-OD1 2.89Å; N182-D204 PolarHBondContact ND2-OD2 2.71Å; N182-D204 PolarHBondContact OD1-OD2 2.82Å; Y184-D204 WeakPolarHBondContact CB-OD1 3.18Å; Y184-D204 HydrophobicContact CD2-CB 4.33Å; Y184-D204 VanDerWaalsContact CD2-CG 3.46Å; Y184-D204 VanDerWaalsContact CD2-OD1 3.25Å; Y184-D204 WeakPolarHBondContact CD2-OD1 3.49Å; G202-D204 PolarHBondContact O-N 2.85Å; D204-D206 PolarHBondContact O-N 2.88Å; D204-K208 WeakPolarHBondContact OD2-CE 3.46Å; D204-K208 IonicContact OD2-NZ 3.39Å; D204-K208 PolarHBondContact OD2-NZ 2.87Å
205	N	92.1	Very high	91.5	Very high	48 Å²	48	37.7 Å²	37.7	26%	0.257	18%	0.179	S	C	.	.	S	Bend	trans	59.8	-20.9	-169.5	-55.7	-13.2	0	0	0	114.3	I203 H224 G225 D226 S227	I203-N205 PolarHBondContact O-N 3.47Å; I203-N205 PolarHBondContact O-OD1 2.76Å; I203-N205 VanDerWaalsContact O-OD1 3.12Å; N205-H224 WeakPolarHBondContact O-CB 3.02Å; N205-G225 PolarHBondContact ND2-O 3.31Å; N205-D226 WeakPolarHBondContact OD1-CA 3.33Å; N205-D226 PolarHBondContact OD1-O 2.78Å; N205-S227 PolarHBondContact OD1-N 3.2Å
206	D	92.3	Very high	91.6	Very high	34 Å²	34	43.5 Å²	43.5	18%	0.182	20%	0.202	C	C	.	.	S	Bend	trans	-90	146.2	179.9	-61.5	-32.3	0	0	0	112	D204 H222	D204-D206 PolarHBondContact O-N 2.88Å; D206-H222 VanDerWaalsContact CG-CE1 3.45Å; D206-H222 IonicContact OD1-CE1 3.79Å; D206-H222 IonicContact OD1-CG 3.37Å; D206-H222 IonicContact OD1-ND1 3.65Å; D206-H222 PolarHBondContact OD1-ND1 3.27Å; D206-H222 IonicContact OD2-CE1 3.21Å; D206-H222 PolarHBondContact OD2-CE1 2.87Å; D206-H222 IonicContact OD2-ND1 2.91Å; D206-H222 PolarHBondContact OD2-ND1 3.02Å
207	I	93.9	Very high	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121	168	-54.3	165.6	0	0	0	108.1	S200 N220 M221 V228 L231 L240 W252	S200-I207 WeakPolarHBondContact O-CA 3.11Å; I207-N220 WeakPolarHBondContact O-CA 3.25Å; I207-M221 HydrophobicContact CB-CB 4.21Å; I207-M221 HydrophobicContact CB-CE 3.67Å; I207-M221 HydrophobicContact CD1-CE 4.26Å; I207-M221 HydrophobicContact CG2-CE 3.36Å; I207-M221 PolarHBondContact N-O 3.02Å; I207-M221 PolarHBondContact O-N 3.14Å; I207-V228 HydrophobicContact CG1-CG1 4.43Å; I207-V228 HydrophobicContact CG1-CG2 4.2Å; I207-L231 HydrophobicContact CD1-CD2 3.88Å; I207-L231 HydrophobicContact CG1-CD2 4.25Å; I207-L231 HydrophobicContact CG2-CD1 4.18Å; I207-L231 HydrophobicContact CG2-CD2 4.49Å; I207-L240 HydrophobicContact CD1-CD2 4.24Å; I207-L240 HydrophobicContact CG2-CD2 4.05Å; I207-W252 HydrophobicContact CD1-CD2 4.36Å; I207-W252 HydrophobicContact CD1-CG 4.39Å; I207-W252 HydrophobicContact CD1-CZ2 4.23Å
208	K	93.8	Very high	91.6	Very high	22 Å²	22	45.5 Å²	45.5	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.4	-177.3	-70.2	-179	169.8	170.4	0	110.4	N182 S200 D204 W210 L217 N220	N182-K208 WeakPolarHBondContact OD1-CD 3.25Å; N182-K208 PolarHBondContact OD1-NZ 2.95Å; S200-K208 PolarHBondContact N-O 3.46Å; S200-K208 PolarHBondContact O-N 3.49Å; S200-K208 WeakPolarHBondContact OG-CB 3.5Å; S200-K208 PolarHBondContact OG-O 3.48Å; D204-K208 WeakPolarHBondContact OD2-CE 3.46Å; D204-K208 IonicContact OD2-NZ 3.39Å; D204-K208 PolarHBondContact OD2-NZ 2.87Å; K208-W210 HydrophobicContact CB-CZ2 4.28Å; K208-W210 HydrophobicContact CD-CZ2 4.1Å; K208-L217 HydrophobicContact CB-CD1 3.6Å; K208-L217 HydrophobicContact CD-CD1 4.29Å; K208-L217 HydrophobicContact CG-CD1 3.95Å; K208-N220 WeakPolarHBondContact CG-OD1 3.16Å
209	V	93.6	Very high	91.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.4	177.2	-174.3	0	0	0	0	109.9	Q197 I198 L199 I218 Y219 M221	Q197-V209 HydrophobicContact CB-CG1 4.31Å; I198-V209 WeakPolarHBondContact O-CA 3.02Å; L199-V209 HydrophobicContact CD2-CB 4.01Å; L199-V209 HydrophobicContact CD2-CG1 3.75Å; L199-V209 HydrophobicContact CD2-CG2 3.37Å; V209-I218 HydrophobicContact CG1-CD1 4.17Å; V209-I218 PolarHBondContact O-N 3.12Å; V209-Y219 HydrophobicContact CB-CD2 4.33Å; V209-Y219 HydrophobicContact CB-CE1 4.18Å; V209-Y219 HydrophobicContact CB-CE2 3.99Å; V209-Y219 HydrophobicContact CG1-CE1 4.14Å; V209-Y219 HydrophobicContact CG2-CD2 3.92Å; V209-Y219 HydrophobicContact CG2-CE1 4.37Å; V209-Y219 HydrophobicContact CG2-CE2 3.34Å; V209-Y219 PolarHBondContact N-O 3.04Å; V209-M221 HydrophobicContact CG2-CE 4.01Å
210	W	93	Very high	91.2	Very high	22 Å²	22	50.2 Å²	50.2	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.9	-178	-53.3	90.3	0	0	0	110.2	F180 Q197 I198 S200 K208 L217	F180-W210 HydrophobicContact CB-CD2 4.29Å; F180-W210 HydrophobicContact CB-CE3 4.24Å; F180-W210 HydrophobicContact CB-CZ3 4.4Å; F180-W210 HydrophobicContact CD1-CD2 4.28Å; F180-W210 AromaticContact CD1-CE3 3.79Å; F180-W210 HydrophobicContact CD1-CE3 3.79Å; F180-W210 HydrophobicContact CD1-CZ3 4.34Å; F180-W210 HydrophobicContact CG-CD2 4.3Å; F180-W210 HydrophobicContact CG-CE3 4.2Å; Q197-W210 CarbonylContact C-O 3.54Å; Q197-W210 VanDerWaalsContact CA-O 3.23Å; Q197-W210 WeakPolarHBondContact CA-O 2.96Å; I198-W210 HydrophobicContact CB-CB 4.3Å; I198-W210 PolarHBondContact N-O 2.79Å; I198-W210 PolarHBondContact O-N 2.91Å; S200-W210 PolarHBondContact OG-NE1 2.85Å; K208-W210 HydrophobicContact CB-CZ2 4.28Å; K208-W210 HydrophobicContact CD-CZ2 4.1Å; W210-L217 HydrophobicContact CD2-CD1 4.12Å; W210-L217 HydrophobicContact CE3-CB 3.98Å; W210-L217 HydrophobicContact CE3-CD1 4.24Å; W210-L217 HydrophobicContact CH2-CB 4.31Å; W210-L217 HydrophobicContact CH2-CD1 4.2Å; W210-L217 HydrophobicContact CZ2-CD1 4.06Å; W210-L217 HydrophobicContact CZ3-CB 3.79Å; W210-L217 HydrophobicContact CZ3-CD1 4.28Å
211	D	92.1	Very high	90.9	Very high	21 Å²	21	50.4 Å²	50.4	11%	0.112	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.5	169.2	-169.1	-8.8	0	0	0	109.8	R213 Q214 N215 K216 I218	D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 2.8Å; D211-R213 PolarHBondContact OD1-N 3.18Å; D211-Q214 HydrophobicContact CB-CB 4.22Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.23Å; D211-N215 VanDerWaalsContact O-CA 3.29Å; D211-N215 WeakPolarHBondContact O-CA 3.45Å; D211-N215 PolarHBondContact O-N 3.41Å; D211-K216 PolarHBondContact N-O 2.92Å; D211-I218 HydrophobicContact CB-CD1 3.67Å; D211-I218 HydrophobicContact CB-CG1 3.71Å
212	L	88.4	Confident	90.7	Very high	22 Å²	22	56.3 Å²	56.3	12%	0.115	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.3	175.5	-69.6	-176.4	0	0	0	113.1	L168 F180 F191 S195 D196 I198 N215	L168-L212 HydrophobicContact CD2-CD1 4.29Å; L168-L212 HydrophobicContact CD2-CD2 3.81Å; F180-L212 HydrophobicContact CE2-CD2 3.96Å; F180-L212 HydrophobicContact CZ-CD2 4.03Å; F191-L212 HydrophobicContact CE1-CD1 4.14Å; S195-L212 WeakPolarHBondContact O-CD1 3.37Å; D196-L212 VanDerWaalsContact O-CB 3.29Å; D196-L212 WeakPolarHBondContact O-CB 3.25Å; D196-L212 VanDerWaalsContact O-CG 3.3Å; D196-L212 WeakPolarHBondContact O-CG 2.98Å; D196-L212 PolarHBondContact O-N 3.09Å; I198-L212 HydrophobicContact CD1-CD2 3.48Å; I198-L212 VanDerWaalsContact CD1-CD2 3.48Å; I198-L212 HydrophobicContact CD1-CG 4.44Å; I198-L212 HydrophobicContact CG1-CD2 3.94Å; I198-L212 HydrophobicContact CG1-CG 4.4Å; L212-N215 PolarHBondContact O-OD1 3.03Å
213	R	88.6	Confident	90.3	Very high	210 Å²	210	57.9 Å²	57.9	79%	0.792	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-42.8	-176.2	-61.4	-175.5	69.1	161.6	1	111.6	D211	D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 2.8Å; D211-R213 PolarHBondContact OD1-N 3.18Å
214	Q	87.3	Confident	90.2	Very high	130 Å²	130	55.2 Å²	55.2	61%	0.607	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.1	-178.7	-61.8	-176.6	15.5	0	0	112.8	D211 K216	D211-Q214 HydrophobicContact CB-CB 4.22Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.23Å; Q214-K216 HydrophobicContact CB-CB 4.39Å; Q214-K216 PolarHBondContact O-N 3.36Å
215	N	87.3	Confident	90.3	Very high	68 Å²	68	56.8 Å²	56.8	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.5	-171.6	-69.6	-47.1	0	0	0	113.7	H178 F180 D211 L212	H178-N215 PolarHBondContact CD2-OD1 3.36Å; H178-N215 PolarHBondContact CE1-ND2 2.96Å; H178-N215 VanDerWaalsContact CE1-ND2 3.25Å; F180-N215 HydrophobicContact CE1-CB 4Å; F180-N215 WeakPolarHBondContact CZ-OD1 3.24Å; D211-N215 VanDerWaalsContact O-CA 3.29Å; D211-N215 WeakPolarHBondContact O-CA 3.45Å; D211-N215 PolarHBondContact O-N 3.41Å; L212-N215 PolarHBondContact O-OD1 3.03Å
216	K	89	Confident	90.4	Very high	139 Å²	139	57.9 Å²	57.9	60%	0.604	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	154	-177.4	-73.8	177.9	-176.4	-179.5	0	110.5	D211 Q214 I218	D211-K216 PolarHBondContact N-O 2.92Å; Q214-K216 HydrophobicContact CB-CB 4.39Å; Q214-K216 PolarHBondContact O-N 3.36Å; K216-I218 PolarHBondContact O-N 3.3Å
217	L	89.6	Confident	90.5	Very high	69 Å²	69	57 Å²	57	36%	0.361	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.4	167.3	-176.2	71.6	0	0	0	108.6	K208 W210 N220	K208-L217 HydrophobicContact CB-CD1 3.6Å; K208-L217 HydrophobicContact CD-CD1 4.29Å; K208-L217 HydrophobicContact CG-CD1 3.95Å; W210-L217 HydrophobicContact CD2-CD1 4.12Å; W210-L217 HydrophobicContact CE3-CB 3.98Å; W210-L217 HydrophobicContact CE3-CD1 4.24Å; W210-L217 HydrophobicContact CH2-CB 4.31Å; W210-L217 HydrophobicContact CH2-CD1 4.2Å; W210-L217 HydrophobicContact CZ2-CD1 4.06Å; W210-L217 HydrophobicContact CZ3-CB 3.79Å; W210-L217 HydrophobicContact CZ3-CD1 4.28Å; L217-N220 WeakPolarHBondContact CD1-OD1 3.33Å; L217-N220 VanDerWaalsContact CD2-OD1 3.3Å; L217-N220 WeakPolarHBondContact CD2-OD1 3.5Å
218	I	89.4	Confident	90.5	Very high	76 Å²	76	57 Å²	57	39%	0.39	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-53.7	179.3	-45.4	178.1	0	0	0	109.5	Q197 V209 D211 K216	Q197-I218 HydrophobicContact CG-CD1 4.17Å; V209-I218 HydrophobicContact CG1-CD1 4.17Å; V209-I218 PolarHBondContact O-N 3.12Å; D211-I218 HydrophobicContact CB-CD1 3.67Å; D211-I218 HydrophobicContact CB-CG1 3.71Å; K216-I218 PolarHBondContact O-N 3.3Å
219	Y	88.8	Confident	90.5	Very high	46 Å²	46	56 Å²	56	18%	0.18	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	160.5	-179.8	58.4	-93.1	0	0	0	111.1	V209 M221 R262	V209-Y219 HydrophobicContact CB-CD2 4.33Å; V209-Y219 HydrophobicContact CB-CE1 4.18Å; V209-Y219 HydrophobicContact CB-CE2 3.99Å; V209-Y219 HydrophobicContact CG1-CE1 4.14Å; V209-Y219 HydrophobicContact CG2-CD2 3.92Å; V209-Y219 HydrophobicContact CG2-CE1 4.37Å; V209-Y219 HydrophobicContact CG2-CE2 3.34Å; V209-Y219 PolarHBondContact N-O 3.04Å; Y219-M221 HydrophobicContact CD2-CG 4.02Å; Y219-M221 HydrophobicContact CE2-CG 3.82Å; Y219-M221 HydrophobicContact CE2-SD 4.1Å; Y219-R262 VanDerWaalsContact CE2-CD 3.48Å; Y219-R262 VanDerWaalsContact OH-CZ 3.28Å; Y219-R262 PolarHBondContact OH-NH1 2.95Å
220	N	90.6	Very high	90.4	Very high	52 Å²	52	56 Å²	56	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.5	171.9	-64.5	-8.4	0	0	0	109.3	I207 K208 L217	I207-N220 WeakPolarHBondContact O-CA 3.25Å; K208-N220 WeakPolarHBondContact CG-OD1 3.16Å; L217-N220 WeakPolarHBondContact CD1-OD1 3.33Å; L217-N220 VanDerWaalsContact CD2-OD1 3.3Å; L217-N220 WeakPolarHBondContact CD2-OD1 3.5Å
221	M	89.5	Confident	90.5	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	102.6	170.8	-63.3	-175.9	-68	0	0	108	I207 V209 Y219 L240 W252 R262	I207-M221 HydrophobicContact CB-CB 4.21Å; I207-M221 HydrophobicContact CB-CE 3.67Å; I207-M221 HydrophobicContact CD1-CE 4.26Å; I207-M221 HydrophobicContact CG2-CE 3.36Å; I207-M221 PolarHBondContact N-O 3.02Å; I207-M221 PolarHBondContact O-N 3.14Å; V209-M221 HydrophobicContact CG2-CE 4.01Å; Y219-M221 HydrophobicContact CD2-CG 4.02Å; Y219-M221 HydrophobicContact CE2-CG 3.82Å; Y219-M221 HydrophobicContact CE2-SD 4.1Å; M221-L240 HydrophobicContact CE-CD2 3.71Å; M221-W252 HydrophobicContact CB-CD2 4.32Å; M221-W252 HydrophobicContact CB-CE3 3.76Å; M221-W252 HydrophobicContact CB-CH2 4.31Å; M221-W252 HydrophobicContact CB-CZ3 3.76Å; M221-W252 HydrophobicContact CE-CB 4.38Å; M221-W252 HydrophobicContact CE-CG 4.43Å; M221-W252 HydrophobicContact CG-CE3 4.21Å; M221-W252 HydrophobicContact SD-CB 3.83Å; M221-W252 HydrophobicContact SD-CD2 4.15Å; M221-W252 HydrophobicContact SD-CE3 3.96Å; M221-W252 HydrophobicContact SD-CG 4.12Å; M221-R262 HydrophobicContact CG-CB 4.42Å; M221-R262 HydrophobicContact SD-CB 4.17Å
222	H	89.5	Confident	90.6	Very high	124 Å²	124	55.3 Å²	55.3	57%	0.574	28%	0.284	S	S	*	.			trans	-85.1	142.7	176.1	-62.8	-67.5	0	0	0	110.3	D206 W252	D206-H222 VanDerWaalsContact CG-CE1 3.45Å; D206-H222 IonicContact OD1-CE1 3.79Å; D206-H222 IonicContact OD1-CG 3.37Å; D206-H222 IonicContact OD1-ND1 3.65Å; D206-H222 PolarHBondContact OD1-ND1 3.27Å; D206-H222 IonicContact OD2-CE1 3.21Å; D206-H222 PolarHBondContact OD2-CE1 2.87Å; D206-H222 IonicContact OD2-ND1 2.91Å; D206-H222 PolarHBondContact OD2-ND1 3.02Å; H222-W252 WeakPolarHBondContact O-CH2 3.22Å
223	G	85.1	Confident	90.9	Very high	37 Å²	37	54.3 Å²	54.3	38%	0.381	28%	0.279	S	S	.	.			trans	163	-30.3	167.4	0	0	0	0	0	114.1	R250	G223-R250 PolarHBondContact O-NH1 2.82Å; G223-R250 PolarHBondContact O-NH2 3.42Å
224	H	92	Very high	91	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.056	24%	0.243	C	C	.	.			trans	-70.4	143.4	180	-65.6	-59.6	0	0	0	111.8	N205 V228 S242 S244 D246 R250 W252	N205-H224 WeakPolarHBondContact O-CB 3.02Å; H224-V228 HydrophobicContact CB-CG2 4.44Å; H224-V228 VanDerWaalsContact CD2-CG2 3.46Å; H224-V228 WeakPolarHBondContact CD2-CG2 3.16Å; H224-S242 PolarHBondContact CE1-OG 3.4Å; H224-S242 WeakPolarHBondContact NE2-CB 3.12Å; H224-S242 PolarHBondContact NE2-OG 3.36Å; H224-S244 PolarHBondContact CE1-OG 2.82Å; H224-S244 VanDerWaalsContact CE1-OG 3.29Å; H224-S244 PolarHBondContact ND1-OG 3.47Å; H224-D246 IonicContact ND1-OD2 3.65Å; H224-R250 VanDerWaalsContact CE1-CD 3.45Å; H224-R250 WeakPolarHBondContact CE1-CD 3.25Å; H224-R250 WeakPolarHBondContact ND1-CD 3.49Å; H224-R250 PolarHBondContact ND1-NE 2.83Å; H224-W252 AromaticContact CD2-CZ2 3.83Å; H224-W252 AromaticContact NE2-CE2 3.93Å; H224-W252 AromaticContact NE2-CZ2 3.57Å; H224-W252 AromaticContact NE2-NE1 3.69Å
225	G	90.9	Very high	91	Very high	56 Å²	56	41.1 Å²	41.1	58%	0.577	23%	0.234	S	C	*	.	S	Bend	trans	-84.5	-15	177.9	0	0	0	0	0	114.2	N205 D246	N205-G225 PolarHBondContact ND2-O 3.31Å; G225-D246 PolarHBondContact N-OD2 3.46Å
226	D	94	Very high	90.9	Very high	70 Å²	70	44 Å²	44	37%	0.374	25%	0.245	S	C	.	.	S	Bend	trans	-153.5	177.1	-175.2	-156.3	-23.1	0	0	0	109.9	N205 M245 D246	N205-D226 WeakPolarHBondContact OD1-CA 3.33Å; N205-D226 PolarHBondContact OD1-O 2.78Å; D226-M245 HydrophobicContact CB-CB 3.83Å; D226-D246 HydrophobicContact CB-CB 4.19Å
227	S	93.4	Very high	90.8	Very high	16 Å²	16	37.7 Å²	37.7	11%	0.112	22%	0.219	C	C	.	.			trans	-51	138.2	-176.4	48.1	0	0	0	0	113.7	N205 S244 M245	N205-S227 PolarHBondContact OD1-N 3.2Å; S227-S244 VanDerWaalsContact O-CA 3.31Å; S227-S244 WeakPolarHBondContact O-CA 3.45Å; S227-M245 PolarHBondContact O-N 2.86Å; S227-M245 WeakPolarHBondContact OG-CG 3.39Å
228	V	95.1	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.6	-177.9	-177.8	0	0	0	0	109.2	L187 G202 I207 H224 L231 N243	L187-V228 WeakPolarHBondContact CB-O 3.49Å; G202-V228 PolarHBondContact O-N 2.57Å; I207-V228 HydrophobicContact CG1-CG1 4.43Å; I207-V228 HydrophobicContact CG1-CG2 4.2Å; H224-V228 HydrophobicContact CB-CG2 4.44Å; H224-V228 VanDerWaalsContact CD2-CG2 3.46Å; H224-V228 WeakPolarHBondContact CD2-CG2 3.16Å; V228-L231 HydrophobicContact CG1-CD2 3.81Å; V228-L231 HydrophobicContact CG1-CG 4.2Å; V228-N243 CarbonylContact C-O 3.58Å; V228-N243 WeakPolarHBondContact CA-O 3.35Å
229	T	93.7	Very high	90.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-26.8	-173.4	58	0	0	0	0	113.1	N243 M245 L278 L279 R280	T229-N243 PolarHBondContact N-O 3.35Å; T229-N243 PolarHBondContact OG1-ND2 2.84Å; T229-N243 PolarHBondContact OG1-O 3.46Å; T229-M245 HydrophobicContact CG2-CG 3.71Å; T229-M245 HydrophobicContact CG2-SD 3.66Å; T229-L278 HydrophobicContact CG2-CD2 4.48Å; T229-L279 PolarHBondContact OG1-O 2.71Å; T229-R280 PolarHBondContact O-NH1 3.47Å
230	G	92	Very high	91.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.7	-172.6	0	0	0	0	0	111.9	S242 N243	G230-S242 CarbonylContact O-C 3.54Å; G230-S242 WeakPolarHBondContact O-CA 3.46Å; G230-N243 PolarHBondContact N-O 2.87Å; G230-N243 PolarHBondContact O-N 3.05Å
231	L	94.9	Very high	91.4	Very high	13 Å²	13	29.9 Å²	29.9	7%	0.068	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.9	174.4	-70.9	-177	0	0	0	109.7	A188 T190 G201 I207 V228 L240 L241	A188-L231 HydrophobicContact CB-CB 3.95Å; A188-L231 HydrophobicContact CB-CD1 4.36Å; A188-L231 HydrophobicContact CB-CG 3.87Å; T190-L231 HydrophobicContact CG2-CB 4.13Å; G201-L231 VanDerWaalsContact N-CD1 3.3Å; I207-L231 HydrophobicContact CD1-CD2 3.88Å; I207-L231 HydrophobicContact CG1-CD2 4.25Å; I207-L231 HydrophobicContact CG2-CD1 4.18Å; I207-L231 HydrophobicContact CG2-CD2 4.49Å; V228-L231 HydrophobicContact CG1-CD2 3.81Å; V228-L231 HydrophobicContact CG1-CG 4.2Å; L231-L240 HydrophobicContact CB-CD1 4.25Å; L231-L240 HydrophobicContact CD2-CD1 4.29Å; L231-L240 HydrophobicContact CD2-CD2 4.1Å; L231-L240 HydrophobicContact CD2-CG 4.32Å; L231-L241 CarbonylContact C-O 3.6Å; L231-L241 WeakPolarHBondContact CA-O 3.29Å
232	S	94.1	Very high	91.7	Very high	14 Å²	14	29.7 Å²	29.7	10%	0.098	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	124.3	178.7	-164	0	0	0	0	111.4	L241 C281 W283	S232-L241 PolarHBondContact N-O 2.69Å; S232-L241 WeakPolarHBondContact O-CB 3.25Å; S232-L241 PolarHBondContact O-N 3.44Å; S232-C281 WeakPolarHBondContact CB-O 3.48Å; S232-C281 PolarHBondContact OG-O 2.61Å; S232-W283 PolarHBondContact O-NE1 3.12Å
233	L	93.6	Very high	91.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.8	176.2	-164.6	80.7	0	0	0	110.5	R151 F191 D193 L199 W283	R151-L233 PolarHBondContact NH2-O 2.96Å; F191-L233 WeakPolarHBondContact O-CD2 3.28Å; D193-L233 HydrophobicContact CB-CD2 4.18Å; L199-L233 HydrophobicContact CD1-CD1 4.14Å; L233-W283 VanDerWaalsContact C-CD1 3.5Å
234	S	92.1	Very high	92.3	Very high	5 Å²	5	22 Å²	22	4%	0.035	13%	0.132	C	C	.	.			trans	-58.1	152.1	167.4	175.6	0	0	0	0	111.2	E236 G237 Y239	S234-E236 PolarHBondContact O-N 3.28Å; S234-E236 PolarHBondContact OG-N 3.17Å; S234-G237 PolarHBondContact O-N 2.94Å; S234-Y239 VanDerWaalsContact CB-O 3.28Å; S234-Y239 WeakPolarHBondContact CB-O 3.5Å; S234-Y239 PolarHBondContact N-O 2.86Å
235	S	85.6	Confident	92.4	Very high	59 Å²	59	22.5 Å²	22.5	41%	0.413	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.4	175.4	48.8	0	0	0	0	113.1	G237 T285	S235-G237 VanDerWaalsContact C-N 3.31Å; S235-T285 PolarHBondContact OG-O 2.95Å
236	E	86.2	Confident	92.4	Very high	127 Å²	127	21.8 Å²	21.8	59%	0.593	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.6	175.9	-159.5	-163.5	133.6	0	0	112.7	S234 S238	S234-E236 PolarHBondContact O-N 3.28Å; S234-E236 PolarHBondContact OG-N 3.17Å; E236-S238 PolarHBondContact O-N 3.32Å; E236-S238 PolarHBondContact OE1-OG 3.11Å
237	G	86.4	Confident	92.3	Very high	7 Å²	7	21.4 Å²	21.4	7%	0.072	12%	0.115	C	C	.	.	S	Bend	trans	77.5	-5	-174.1	0	0	0	0	0	115.4	S234 S235	S234-G237 PolarHBondContact O-N 2.94Å; S235-G237 VanDerWaalsContact C-N 3.31Å
238	S	89.7	Confident	92.3	Very high	12 Å²	12	21.3 Å²	21.3	8%	0.084	11%	0.114	C	C	.	.	S	Bend	trans	-72.9	-36.5	-179.2	-70.5	0	0	0	0	113.2	E236 V254	E236-S238 PolarHBondContact O-N 3.32Å; E236-S238 PolarHBondContact OE1-OG 3.11Å; S238-V254 PolarHBondContact O-N 2.94Å; S238-V254 VanDerWaalsContact O-N 3.08Å
239	Y	92.7	Very high	92.3	Very high	68 Å²	68	21.3 Å²	21.3	27%	0.267	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.3	-171.3	-59.5	-72.2	0	0	0	112.6	S234 I251 W252 V264	S234-Y239 VanDerWaalsContact CB-O 3.28Å; S234-Y239 WeakPolarHBondContact CB-O 3.5Å; S234-Y239 PolarHBondContact N-O 2.86Å; Y239-I251 HydrophobicContact CD1-CG2 3.8Å; Y239-I251 HydrophobicContact CG-CG2 4.13Å; Y239-W252 CarbonylContact C-O 3.59Å; Y239-W252 WeakPolarHBondContact CA-O 3.45Å; Y239-V264 HydrophobicContact CE1-CG2 4.41Å
240	L	94.3	Very high	92.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.7	171	174.2	72.6	0	0	0	109.5	T190 L199 I207 M221 L231 I251 W252 V254	T190-L240 HydrophobicContact CG2-CD1 3.65Å; L199-L240 HydrophobicContact CD1-CB 4.46Å; L199-L240 HydrophobicContact CD1-CD1 3.84Å; L199-L240 HydrophobicContact CD1-CD2 3.97Å; L199-L240 HydrophobicContact CD1-CG 4.3Å; I207-L240 HydrophobicContact CD1-CD2 4.24Å; I207-L240 HydrophobicContact CG2-CD2 4.05Å; M221-L240 HydrophobicContact CE-CD2 3.71Å; L231-L240 HydrophobicContact CB-CD1 4.25Å; L231-L240 HydrophobicContact CD2-CD1 4.29Å; L231-L240 HydrophobicContact CD2-CD2 4.1Å; L231-L240 HydrophobicContact CD2-CG 4.32Å; L240-I251 CarbonylContact O-C 3.5Å; L240-I251 VanDerWaalsContact O-CA 3.31Å; L240-I251 WeakPolarHBondContact O-CA 3.41Å; L240-W252 HydrophobicContact CB-CB 4.25Å; L240-W252 PolarHBondContact N-O 3.47Å; L240-W252 PolarHBondContact O-N 2.71Å; L240-V254 HydrophobicContact CB-CG2 3.44Å; L240-V254 VanDerWaalsContact CB-CG2 3.44Å; L240-V254 HydrophobicContact CD2-CG2 4.41Å
241	L	94.8	Very high	92.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.6	169.8	-171.2	68.7	0	0	0	109.4	L231 S232 V249 R250 I251 C281 W283 I290	L231-L241 CarbonylContact C-O 3.6Å; L231-L241 WeakPolarHBondContact CA-O 3.29Å; S232-L241 PolarHBondContact N-O 2.69Å; S232-L241 WeakPolarHBondContact O-CB 3.25Å; S232-L241 PolarHBondContact O-N 3.44Å; L241-V249 HydrophobicContact CD1-CG1 3.33Å; L241-V249 HydrophobicContact CD2-CG1 4.42Å; L241-V249 HydrophobicContact CG-CG1 3.88Å; L241-R250 WeakPolarHBondContact CA-O 3.35Å; L241-I251 HydrophobicContact CD1-CG1 3.86Å; L241-C281 HydrophobicContact CD2-CB 3.5Å; L241-C281 VanDerWaalsContact CD2-CB 3.5Å; L241-C281 HydrophobicContact CG-CB 4.1Å; L241-W283 HydrophobicContact CB-CZ2 3.88Å; L241-W283 HydrophobicContact CD1-CZ2 4.4Å; L241-I290 HydrophobicContact CD1-CD1 3.76Å; L241-I290 HydrophobicContact CD1-CG1 4.25Å; L241-I290 HydrophobicContact CD1-CG2 3.89Å; L241-I290 HydrophobicContact CD2-CB 4.36Å; L241-I290 HydrophobicContact CD2-CG1 4.2Å; L241-I290 HydrophobicContact CD2-CG2 3.33Å; L241-I290 HydrophobicContact CG-CG2 4.25Å
242	S	94.8	Very high	92.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.9	174.4	64.1	0	0	0	0	110.8	H224 G230 V249 R250 W252	H224-S242 PolarHBondContact CE1-OG 3.4Å; H224-S242 WeakPolarHBondContact NE2-CB 3.12Å; H224-S242 PolarHBondContact NE2-OG 3.36Å; G230-S242 CarbonylContact O-C 3.54Å; G230-S242 WeakPolarHBondContact O-CA 3.46Å; S242-V249 CarbonylContact O-C 3.55Å; S242-V249 WeakPolarHBondContact O-CA 3.1Å; S242-R250 PolarHBondContact N-O 3.21Å; S242-R250 PolarHBondContact O-N 2.65Å; S242-R250 PolarHBondContact OG-O 2.81Å; S242-W252 PolarHBondContact OG-NE1 3.38Å
243	N	94.3	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.8	169.9	-171.2	32.9	0	0	0	109.5	V228 T229 G230 N270 H272 L279 C281	V228-N243 CarbonylContact C-O 3.58Å; V228-N243 WeakPolarHBondContact CA-O 3.35Å; T229-N243 PolarHBondContact N-O 3.35Å; T229-N243 PolarHBondContact OG1-ND2 2.84Å; T229-N243 PolarHBondContact OG1-O 3.46Å; G230-N243 PolarHBondContact N-O 2.87Å; G230-N243 PolarHBondContact O-N 3.05Å; N243-N270 PolarHBondContact OD1-ND2 3.17Å; N243-H272 PolarHBondContact ND2-NE2 3.05Å; N243-H272 PolarHBondContact OD1-CE1 3.47Å; N243-H272 VanDerWaalsContact OD1-CE1 3.3Å; N243-L279 WeakPolarHBondContact ND2-CB 3.4Å; N243-L279 PolarHBondContact ND2-O 3.46Å; N243-C281 HydrophobicContact CB-CB 4.38Å
244	S	94.2	Very high	92	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.9	-174.2	42.9	0	0	0	0	111.9	H224 S227 D246 N247 T248 H272	H224-S244 PolarHBondContact CE1-OG 2.82Å; H224-S244 VanDerWaalsContact CE1-OG 3.29Å; H224-S244 PolarHBondContact ND1-OG 3.47Å; S227-S244 VanDerWaalsContact O-CA 3.31Å; S227-S244 WeakPolarHBondContact O-CA 3.45Å; S244-D246 WeakPolarHBondContact CB-OD1 2.94Å; S244-D246 PolarHBondContact O-N 2.77Å; S244-D246 PolarHBondContact OG-OD1 2.62Å; S244-N247 PolarHBondContact O-N 3.32Å; S244-N247 VanDerWaalsContact O-N 3.14Å; S244-T248 PolarHBondContact N-O 3.37Å; S244-T248 PolarHBondContact OG-O 3.39Å; S244-T248 VanDerWaalsContact OG-O 3.05Å; S244-T248 PolarHBondContact OG-OG1 2.88Å; S244-H272 VanDerWaalsContact C-CE1 3.48Å; S244-H272 PolarHBondContact O-CE1 3.3Å; S244-H272 PolarHBondContact O-ND1 2.61Å; S244-H272 VanDerWaalsContact O-ND1 3.14Å
245	M	92.9	Very high	91.7	Very high	23 Å²	23	26.5 Å²	26.5	11%	0.113	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.2	179.2	-66.6	-68.7	-73.9	0	0	113.6	D226 S227 T229 N247 H272 K276	D226-M245 HydrophobicContact CB-CB 3.83Å; S227-M245 PolarHBondContact O-N 2.86Å; S227-M245 WeakPolarHBondContact OG-CG 3.39Å; T229-M245 HydrophobicContact CG2-CG 3.71Å; T229-M245 HydrophobicContact CG2-SD 3.66Å; M245-N247 PolarHBondContact O-N 2.99Å; M245-N247 VanDerWaalsContact O-N 3.16Å; M245-H272 HydrophobicContact CE-CB 4Å; M245-H272 HydrophobicContact SD-CB 3.64Å; M245-H272 PolarHBondContact SD-CD2 2.85Å; M245-H272 VanDerWaalsContact SD-CG 3.57Å; M245-K276 HydrophobicContact CE-CB 3.88Å; M245-K276 HydrophobicContact CE-CD 4.39Å; M245-K276 HydrophobicContact CE-CG 3.66Å
246	D	92	Very high	91.4	Very high	41 Å²	41	29.4 Å²	29.4	22%	0.219	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	7.8	171.5	75.2	-4.1	0	0	0	113.9	H224 G225 D226 S244 T248 R250	H224-D246 IonicContact ND1-OD2 3.65Å; G225-D246 PolarHBondContact N-OD2 3.46Å; D226-D246 HydrophobicContact CB-CB 4.19Å; S244-D246 WeakPolarHBondContact CB-OD1 2.94Å; S244-D246 PolarHBondContact O-N 2.77Å; S244-D246 PolarHBondContact OG-OD1 2.62Å; D246-T248 VanDerWaalsContact CG-OG1 3.26Å; D246-T248 PolarHBondContact O-N 3.28Å; D246-T248 WeakPolarHBondContact OD1-CB 3.29Å; D246-T248 PolarHBondContact OD1-N 2.98Å; D246-T248 PolarHBondContact OD1-OG1 3.39Å; D246-T248 PolarHBondContact OD2-OG1 2.86Å; D246-R250 IonicContact OD2-CZ 2.96Å; D246-R250 IonicContact OD2-NH2 3.57Å; D246-R250 PolarHBondContact OD2-NH2 2.87Å
247	N	91.6	Very high	91	Very high	61 Å²	61	33 Å²	33	33%	0.326	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	28.5	-179.4	-60.6	-24.5	0	0	0	113.3	S244 M245 N270 H272	S244-N247 PolarHBondContact O-N 3.32Å; S244-N247 VanDerWaalsContact O-N 3.14Å; M245-N247 PolarHBondContact O-N 2.99Å; M245-N247 VanDerWaalsContact O-N 3.16Å; N247-N270 VanDerWaalsContact CB-O 3.27Å; N247-N270 WeakPolarHBondContact CB-O 3.24Å; N247-N270 PolarHBondContact O-OD1 2.62Å; N247-H272 WeakPolarHBondContact OD1-CB 3.43Å; N247-H272 PolarHBondContact OD1-N 2.87Å; N247-H272 PolarHBondContact OD1-ND1 3.25Å
248	T	93.3	Very high	90.4	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.086	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.1	172.3	75	0	0	0	0	110.8	S244 D246 R250 I266 F267 N270	S244-T248 PolarHBondContact N-O 3.37Å; S244-T248 PolarHBondContact OG-O 3.39Å; S244-T248 VanDerWaalsContact OG-O 3.05Å; S244-T248 PolarHBondContact OG-OG1 2.88Å; D246-T248 VanDerWaalsContact CG-OG1 3.26Å; D246-T248 PolarHBondContact O-N 3.28Å; D246-T248 WeakPolarHBondContact OD1-CB 3.29Å; D246-T248 PolarHBondContact OD1-N 2.98Å; D246-T248 PolarHBondContact OD1-OG1 3.39Å; D246-T248 PolarHBondContact OD2-OG1 2.86Å; T248-R250 PolarHBondContact OG1-NE 2.83Å; T248-I266 HydrophobicContact CG2-CG2 4.25Å; T248-F267 WeakPolarHBondContact CA-O 3.34Å; T248-N270 PolarHBondContact O-ND2 3.07Å
249	V	94.8	Very high	89.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.4	164.6	179.5	0	0	0	0	106.6	L241 S242 F267 N270 A292 W302	L241-V249 HydrophobicContact CD1-CG1 3.33Å; L241-V249 HydrophobicContact CD2-CG1 4.42Å; L241-V249 HydrophobicContact CG-CG1 3.88Å; S242-V249 CarbonylContact O-C 3.55Å; S242-V249 WeakPolarHBondContact O-CA 3.1Å; V249-F267 HydrophobicContact CB-CB 4.19Å; V249-F267 PolarHBondContact N-O 3.02Å; V249-F267 WeakPolarHBondContact O-CD2 3.24Å; V249-F267 PolarHBondContact O-N 3.43Å; V249-N270 HydrophobicContact CG2-CB 4.32Å; V249-N270 WeakPolarHBondContact CG2-ND2 3.12Å; V249-A292 HydrophobicContact CG2-CB 4.04Å; V249-W302 HydrophobicContact CG2-CH2 4Å; V249-W302 HydrophobicContact CG2-CZ3 4.36Å
250	R	94.4	Very high	88.9	Confident	30 Å²	30	44.5 Å²	44.5	11%	0.113	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.2	-176.9	-56.3	-170.7	-167.4	-169	13.5	111.8	G223 H224 L241 S242 D246 T248 W252 K265 I266	G223-R250 PolarHBondContact O-NH1 2.82Å; G223-R250 PolarHBondContact O-NH2 3.42Å; H224-R250 VanDerWaalsContact CE1-CD 3.45Å; H224-R250 WeakPolarHBondContact CE1-CD 3.25Å; H224-R250 WeakPolarHBondContact ND1-CD 3.49Å; H224-R250 PolarHBondContact ND1-NE 2.83Å; L241-R250 WeakPolarHBondContact CA-O 3.35Å; S242-R250 PolarHBondContact N-O 3.21Å; S242-R250 PolarHBondContact O-N 2.65Å; S242-R250 PolarHBondContact OG-O 2.81Å; D246-R250 IonicContact OD2-CZ 2.96Å; D246-R250 IonicContact OD2-NH2 3.57Å; D246-R250 PolarHBondContact OD2-NH2 2.87Å; T248-R250 PolarHBondContact OG1-NE 2.83Å; R250-W252 HydrophobicContact CB-CZ2 4.26Å; R250-K265 WeakPolarHBondContact CA-O 3.32Å; R250-I266 HydrophobicContact CG-CG1 4.19Å; R250-I266 HydrophobicContact CG-CG2 4.34Å
251	I	94.6	Very high	88.2	Confident	4 Å²	4	52 Å²	52	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.9	170	-66.8	168.2	0	0	0	108.9	Y239 L240 L241 V264 K265 F267 W283 I290	Y239-I251 HydrophobicContact CD1-CG2 3.8Å; Y239-I251 HydrophobicContact CG-CG2 4.13Å; L240-I251 CarbonylContact O-C 3.5Å; L240-I251 VanDerWaalsContact O-CA 3.31Å; L240-I251 WeakPolarHBondContact O-CA 3.41Å; L241-I251 HydrophobicContact CD1-CG1 3.86Å; I251-V264 HydrophobicContact CG2-CB 4.35Å; I251-V264 PolarHBondContact O-N 2.85Å; I251-K265 HydrophobicContact CB-CB 4.31Å; I251-K265 HydrophobicContact CD1-CB 4.23Å; I251-K265 HydrophobicContact CD1-CD 4.17Å; I251-K265 PolarHBondContact N-O 3.36Å; I251-F267 HydrophobicContact CD1-CE2 3.33Å; I251-F267 HydrophobicContact CD1-CZ 3.54Å; I251-F267 HydrophobicContact CG1-CE2 3.66Å; I251-F267 HydrophobicContact CG1-CZ 4.36Å; I251-W283 HydrophobicContact CD1-CH2 3.74Å; I251-W283 HydrophobicContact CD1-CZ2 4.4Å; I251-W283 HydrophobicContact CG1-CH2 3.9Å; I251-W283 HydrophobicContact CG1-CZ2 4.05Å; I251-W283 HydrophobicContact CG2-CH2 4.29Å; I251-W283 HydrophobicContact CG2-CZ2 4.44Å; I251-I290 HydrophobicContact CD1-CD1 3.46Å; I251-I290 VanDerWaalsContact CD1-CD1 3.46Å; I251-I290 HydrophobicContact CG1-CD1 3.86Å
252	W	93.1	Very high	87.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.1	177.6	-52.6	85.9	0	0	0	110.7	I207 M221 H222 H224 Y239 L240 S242 R250 R262 C263	I207-W252 HydrophobicContact CD1-CD2 4.36Å; I207-W252 HydrophobicContact CD1-CG 4.39Å; I207-W252 HydrophobicContact CD1-CZ2 4.23Å; M221-W252 HydrophobicContact CB-CD2 4.32Å; M221-W252 HydrophobicContact CB-CE3 3.76Å; M221-W252 HydrophobicContact CB-CH2 4.31Å; M221-W252 HydrophobicContact CB-CZ3 3.76Å; M221-W252 HydrophobicContact CE-CB 4.38Å; M221-W252 HydrophobicContact CE-CG 4.43Å; M221-W252 HydrophobicContact CG-CE3 4.21Å; M221-W252 HydrophobicContact SD-CB 3.83Å; M221-W252 HydrophobicContact SD-CD2 4.15Å; M221-W252 HydrophobicContact SD-CE3 3.96Å; M221-W252 HydrophobicContact SD-CG 4.12Å; H222-W252 WeakPolarHBondContact O-CH2 3.22Å; H224-W252 AromaticContact CD2-CZ2 3.83Å; H224-W252 AromaticContact NE2-CE2 3.93Å; H224-W252 AromaticContact NE2-CZ2 3.57Å; H224-W252 AromaticContact NE2-NE1 3.69Å; Y239-W252 CarbonylContact C-O 3.59Å; Y239-W252 WeakPolarHBondContact CA-O 3.45Å; L240-W252 HydrophobicContact CB-CB 4.25Å; L240-W252 PolarHBondContact N-O 3.47Å; L240-W252 PolarHBondContact O-N 2.71Å; S242-W252 PolarHBondContact OG-NE1 3.38Å; R250-W252 HydrophobicContact CB-CZ2 4.26Å; W252-R262 CarbonylContact C-O 3.52Å; W252-R262 VanDerWaalsContact CA-O 3.27Å; W252-R262 WeakPolarHBondContact CA-O 3.42Å; W252-R262 HydrophobicContact CE3-CB 4.1Å; W252-C263 HydrophobicContact CE3-CB 4Å; W252-C263 HydrophobicContact CH2-CB 4.14Å; W252-C263 HydrophobicContact CZ3-CB 3.69Å
253	D	91.6	Very high	87.4	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.043	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.6	170.6	-166.3	-14.1	0	0	0	110.1	R255 A258 R262 V264	D253-R255 VanDerWaalsContact OD1-CB 3.29Å; D253-R255 WeakPolarHBondContact OD1-CB 3.29Å; D253-R255 VanDerWaalsContact OD1-CG 3.28Å; D253-R255 WeakPolarHBondContact OD1-CG 3.38Å; D253-R255 IonicContact OD1-CZ 3.95Å; D253-R255 PolarHBondContact OD1-N 3.18Å; D253-R255 IonicContact OD1-NE 3.91Å; D253-R255 PolarHBondContact OD1-NE 2.88Å; D253-R255 IonicContact OD1-NH2 3.83Å; D253-R255 IonicContact OD2-CZ 3.5Å; D253-R255 IonicContact OD2-NE 3.84Å; D253-R255 PolarHBondContact OD2-NE 2.87Å; D253-R255 IonicContact OD2-NH2 2.7Å; D253-R255 PolarHBondContact OD2-NH2 2.64Å; D253-A258 HydrophobicContact CB-CB 4.49Å; D253-R262 PolarHBondContact N-O 3.03Å; D253-R262 PolarHBondContact O-NH1 3.49Å; D253-V264 HydrophobicContact CB-CG2 3.84Å
254	V	88.3	Confident	87.2	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	29%	0.293	C	S	.	.			trans	-95.1	-4.3	-177.3	-176.6	0	0	0	0	111.6	L199 S238 L240	L199-V254 HydrophobicContact CD1-CG1 4.14Å; L199-V254 HydrophobicContact CD1-CG2 4.13Å; L199-V254 HydrophobicContact CD2-CG1 4.15Å; S238-V254 PolarHBondContact O-N 2.94Å; S238-V254 VanDerWaalsContact O-N 3.08Å; L240-V254 HydrophobicContact CB-CG2 3.44Å; L240-V254 VanDerWaalsContact CB-CG2 3.44Å; L240-V254 HydrophobicContact CD2-CG2 4.41Å
255	R	86.1	Confident	87	Confident	100 Å²	100	60.9 Å²	60.9	38%	0.377	30%	0.304	S	S	.	.	S	Bend	trans	-56.3	147.5	-177.1	-67.7	177.7	-67.3	-172.3	1.7	111.4	D253 F257 A258 R262	D253-R255 VanDerWaalsContact OD1-CB 3.29Å; D253-R255 WeakPolarHBondContact OD1-CB 3.29Å; D253-R255 VanDerWaalsContact OD1-CG 3.28Å; D253-R255 WeakPolarHBondContact OD1-CG 3.38Å; D253-R255 IonicContact OD1-CZ 3.95Å; D253-R255 PolarHBondContact OD1-N 3.18Å; D253-R255 IonicContact OD1-NE 3.91Å; D253-R255 PolarHBondContact OD1-NE 2.88Å; D253-R255 IonicContact OD1-NH2 3.83Å; D253-R255 IonicContact OD2-CZ 3.5Å; D253-R255 IonicContact OD2-NE 3.84Å; D253-R255 PolarHBondContact OD2-NE 2.87Å; D253-R255 IonicContact OD2-NH2 2.7Å; D253-R255 PolarHBondContact OD2-NH2 2.64Å; R255-F257 PolarHBondContact O-N 2.8Å; R255-A258 WeakPolarHBondContact O-CB 3.09Å; R255-R262 PolarHBondContact O-NH1 3.1Å
256	P	78.8	Confident	87	Confident	120 Å²	120	63.6 Å²	63.6	78%	0.779	32%	0.318	S	S	*	.	S	Bend	trans	-56.9	-38.3	178.3	-26.4	34.6	0	0	0	112.3
257	F	78.6	Confident	87.1	Confident	201 Å²	201	61.8 Å²	61.8	88%	0.882	31%	0.308	S	S	*	.	S	Bend	trans	-99.5	85.2	174.9	-167	-98.3	0	0	0	109.9	R255	R255-F257 PolarHBondContact O-N 2.8Å
258	A	73.8	Confident	87	Confident	26 Å²	26	65.6 Å²	65.6	22%	0.215	32%	0.324	C	S	.	.			trans	-121.2	155.2	179.8	0	0	0	0	0	111.3	D253 R255 R262	D253-A258 HydrophobicContact CB-CB 4.49Å; R255-A258 WeakPolarHBondContact O-CB 3.09Å; A258-R262 HydrophobicContact CB-CG 4.24Å
259	P	76.6	Confident	86.7	Confident	79 Å²	79	66.2 Å²	66.2	51%	0.513	33%	0.333	S	S	.	.			trans	-58.9	156.8	169.8	24.8	-33.6	0	0	0	111.8	E261	P259-E261 WeakPolarHBondContact CG-O 3.29Å; P259-E261 PolarHBondContact O-N 3.02Å
260	K	73.4	Confident	86.5	Confident	224 Å²	224	66.3 Å²	66.3	97%	0.974	33%	0.334	S	S	*	.	S	Bend	trans	-57.5	-35.5	178	-71.2	-175.1	178.3	-179.4	0	112.2
261	E	79.8	Confident	86.4	Confident	159 Å²	159	68.4 Å²	68.4	74%	0.743	35%	0.347	S	S	*	.	S	Bend	trans	-96.7	107.1	170.3	-171.1	167.2	-171	0	0	108.9	P259	P259-E261 WeakPolarHBondContact CG-O 3.29Å; P259-E261 PolarHBondContact O-N 3.02Å
262	R	86.1	Confident	86.2	Confident	37 Å²	37	69 Å²	69	14%	0.14	35%	0.349	C	S	.	.			trans	-85	-8	-174.7	-69	-179.8	176.7	-97.1	1.4	113.6	Y219 M221 W252 D253 R255 A258 V264	Y219-R262 VanDerWaalsContact CE2-CD 3.48Å; Y219-R262 VanDerWaalsContact OH-CZ 3.28Å; Y219-R262 PolarHBondContact OH-NH1 2.95Å; M221-R262 HydrophobicContact CG-CB 4.42Å; M221-R262 HydrophobicContact SD-CB 4.17Å; W252-R262 CarbonylContact C-O 3.52Å; W252-R262 VanDerWaalsContact CA-O 3.27Å; W252-R262 WeakPolarHBondContact CA-O 3.42Å; W252-R262 HydrophobicContact CE3-CB 4.1Å; D253-R262 PolarHBondContact N-O 3.03Å; D253-R262 PolarHBondContact O-NH1 3.49Å; R255-R262 PolarHBondContact O-NH1 3.1Å; A258-R262 HydrophobicContact CB-CG 4.24Å; R262-V264 PolarHBondContact O-N 2.74Å
263	C	87.3	Confident	86	Confident	27 Å²	27	71 Å²	71	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.7	178.7	-167.2	0	0	0	0	109.5	W252	W252-C263 HydrophobicContact CE3-CB 4Å; W252-C263 HydrophobicContact CH2-CB 4.14Å; W252-C263 HydrophobicContact CZ3-CB 3.69Å
264	V	89.2	Confident	85.8	Confident	67 Å²	67	79 Å²	79	41%	0.406	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-46.1	-176.5	-169.5	0	0	0	0	110.4	Y239 I251 D253 R262	Y239-V264 HydrophobicContact CE1-CG2 4.41Å; I251-V264 HydrophobicContact CG2-CB 4.35Å; I251-V264 PolarHBondContact O-N 2.85Å; D253-V264 HydrophobicContact CB-CG2 3.84Å; R262-V264 PolarHBondContact O-N 2.74Å
265	K	91.3	Very high	85.6	Confident	55 Å²	55	83.2 Å²	83.2	24%	0.239	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.8	-173.4	-59.3	-179.6	-178	166.9	0	110.5	R250 I251 F267 T304 R307	R250-K265 WeakPolarHBondContact CA-O 3.32Å; I251-K265 HydrophobicContact CB-CB 4.31Å; I251-K265 HydrophobicContact CD1-CB 4.23Å; I251-K265 HydrophobicContact CD1-CD 4.17Å; I251-K265 PolarHBondContact N-O 3.36Å; K265-F267 HydrophobicContact CB-CE2 3.69Å; K265-F267 HydrophobicContact CB-CZ 4.08Å; K265-F267 HydrophobicContact CD-CZ 4.22Å; K265-T304 WeakPolarHBondContact CD-O 3.42Å; K265-T304 PolarHBondContact NZ-O 3.47Å; K265-R307 HydrophobicContact CB-CG 4.49Å; K265-R307 HydrophobicContact CD-CG 4.03Å; K265-R307 HydrophobicContact CG-CG 4.48Å
266	I	93.1	Very high	85.6	Confident	79 Å²	79	85.8 Å²	85.8	41%	0.405	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.1	172.8	-54.4	174.8	0	0	0	106.9	T248 R250	T248-I266 HydrophobicContact CG2-CG2 4.25Å; R250-I266 HydrophobicContact CG-CG1 4.19Å; R250-I266 HydrophobicContact CG-CG2 4.34Å
267	F	93.2	Very high	86.1	Confident	3 Å²	3	81.3 Å²	81.3	1%	0.013	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.1	173.9	-54.3	-101.8	0	0	0	108.1	T248 V249 I251 K265 I290 W302 R307	T248-F267 WeakPolarHBondContact CA-O 3.34Å; V249-F267 HydrophobicContact CB-CB 4.19Å; V249-F267 PolarHBondContact N-O 3.02Å; V249-F267 WeakPolarHBondContact O-CD2 3.24Å; V249-F267 PolarHBondContact O-N 3.43Å; I251-F267 HydrophobicContact CD1-CE2 3.33Å; I251-F267 HydrophobicContact CD1-CZ 3.54Å; I251-F267 HydrophobicContact CG1-CE2 3.66Å; I251-F267 HydrophobicContact CG1-CZ 4.36Å; K265-F267 HydrophobicContact CB-CE2 3.69Å; K265-F267 HydrophobicContact CB-CZ 4.08Å; K265-F267 HydrophobicContact CD-CZ 4.22Å; F267-I290 HydrophobicContact CE2-CD1 4.19Å; F267-I290 HydrophobicContact CZ-CD1 4.05Å; F267-W302 HydrophobicContact CB-CD2 4.44Å; F267-W302 HydrophobicContact CB-CG 4.39Å; F267-W302 HydrophobicContact CD1-CB 3.72Å; F267-W302 AromaticContact CD1-CD1 3.72Å; F267-W302 HydrophobicContact CD1-CD2 4.48Å; F267-W302 AromaticContact CD1-CG 3.71Å; F267-W302 HydrophobicContact CD1-CG 3.71Å; F267-W302 HydrophobicContact CE1-CB 3.92Å; F267-W302 HydrophobicContact CE1-CG 4.42Å; F267-W302 HydrophobicContact CG-CG 4.36Å; F267-R307 HydrophobicContact CD1-CB 4.24Å; F267-R307 HydrophobicContact CD1-CG 4.44Å; F267-R307 HydrophobicContact CE1-CB 4.01Å; F267-R307 HydrophobicContact CE1-CG 3.88Å; F267-R307 HydrophobicContact CZ-CG 4.1Å
268	Q	90.5	Very high	86.7	Confident	142 Å²	142	73.3 Å²	73.3	66%	0.664	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.5	179.4	-67.7	-179	-16.4	0	0	109.2	W302	Q268-W302 PolarHBondContact O-NE1 3.25Å
269	G	87	Confident	87.6	Confident	27 Å²	27	72.2 Å²	72.2	28%	0.278	35%	0.354	S	S	.	.			trans	128	-26.7	176.2	0	0	0	0	0	113	Y300	G269-Y300 PolarHBondContact O-OH 3.29Å
270	N	89.4	Confident	88.4	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	33%	0.331	C	S	.	.			trans	-66.9	140.4	169.6	60.2	-45.8	0	0	0	110.1	N243 N247 T248 V249 W302	N243-N270 PolarHBondContact OD1-ND2 3.17Å; N247-N270 VanDerWaalsContact CB-O 3.27Å; N247-N270 WeakPolarHBondContact CB-O 3.24Å; N247-N270 PolarHBondContact O-OD1 2.62Å; T248-N270 PolarHBondContact O-ND2 3.07Å; V249-N270 HydrophobicContact CG2-CB 4.32Å; V249-N270 WeakPolarHBondContact CG2-ND2 3.12Å; N270-W302 HydrophobicContact CB-CH2 4.16Å; N270-W302 HydrophobicContact CB-CZ2 4.43Å
271	I	91.9	Very high	89.3	Confident	75 Å²	75	58.2 Å²	58.2	39%	0.385	29%	0.286	S	S	.	.			trans	-125.3	130.7	179.1	-59.1	173.3	0	0	0	108.1	S294 A295 D296	I271-S294 PolarHBondContact N-OG 3.18Å; I271-S294 PolarHBondContact O-OG 2.89Å; I271-A295 WeakPolarHBondContact O-CB 3.35Å; I271-A295 PolarHBondContact O-N 3.47Å; I271-D296 HydrophobicContact CB-CB 4.49Å; I271-D296 HydrophobicContact CD1-CB 4.27Å
272	H	91.1	Very high	89.9	Confident	17 Å²	17	51 Å²	51	8%	0.079	25%	0.252	C	S	.	.			trans	-99.6	138.6	165	-61.2	80	0	0	0	108.2	N243 S244 M245 N247 L279	N243-H272 PolarHBondContact ND2-NE2 3.05Å; N243-H272 PolarHBondContact OD1-CE1 3.47Å; N243-H272 VanDerWaalsContact OD1-CE1 3.3Å; S244-H272 VanDerWaalsContact C-CE1 3.48Å; S244-H272 PolarHBondContact O-CE1 3.3Å; S244-H272 PolarHBondContact O-ND1 2.61Å; S244-H272 VanDerWaalsContact O-ND1 3.14Å; M245-H272 HydrophobicContact CE-CB 4Å; M245-H272 HydrophobicContact SD-CB 3.64Å; M245-H272 PolarHBondContact SD-CD2 2.85Å; M245-H272 VanDerWaalsContact SD-CG 3.57Å; N247-H272 WeakPolarHBondContact OD1-CB 3.43Å; N247-H272 PolarHBondContact OD1-N 2.87Å; N247-H272 PolarHBondContact OD1-ND1 3.25Å; H272-L279 VanDerWaalsContact CD2-CD1 3.43Å; H272-L279 WeakPolarHBondContact CD2-CD1 3.13Å; H272-L279 WeakPolarHBondContact NE2-CD1 3.31Å
273	N	89.2	Confident	90.3	Very high	44 Å²	44	50.4 Å²	50.4	24%	0.235	25%	0.25	C	S	.	.			trans	-110.7	-168.5	-178.7	66.8	-1.7	0	0	0	110.4	E275 K276 A295	N273-E275 PolarHBondContact ND2-OE2 3.41Å; N273-E275 PolarHBondContact O-N 2.8Å; N273-E275 VanDerWaalsContact OD1-CB 3.29Å; N273-E275 WeakPolarHBondContact OD1-CB 3.34Å; N273-E275 PolarHBondContact OD1-N 3.47Å; N273-K276 PolarHBondContact O-N 3.35Å; N273-A295 HydrophobicContact CB-CB 3.83Å
274	F	87.6	Confident	90.5	Very high	176 Å²	176	49.5 Å²	49.5	77%	0.772	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.6	178.2	67.2	-90.3	0	0	0	114	K276	F274-K276 PolarHBondContact O-N 2.94Å
275	E	83.4	Confident	90.4	Very high	88 Å²	88	49.4 Å²	49.4	41%	0.411	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.9	-179.6	-61.6	168.9	164.2	0	0	111	N273 N277 S319	N273-E275 PolarHBondContact ND2-OE2 3.41Å; N273-E275 PolarHBondContact O-N 2.8Å; N273-E275 VanDerWaalsContact OD1-CB 3.29Å; N273-E275 WeakPolarHBondContact OD1-CB 3.34Å; N273-E275 PolarHBondContact OD1-N 3.47Å; E275-N277 PolarHBondContact O-N 3.46Å; E275-S319 PolarHBondContact OE2-OG 3.45Å
276	K	86.9	Confident	90.1	Very high	155 Å²	155	53.4 Å²	53.4	67%	0.674	27%	0.268	S	S	*	.			trans	50.5	38.3	179	-57.1	-168.2	174.2	-172.5	0	112.9	M245 N273 F274	M245-K276 HydrophobicContact CE-CB 3.88Å; M245-K276 HydrophobicContact CE-CD 4.39Å; M245-K276 HydrophobicContact CE-CG 3.66Å; N273-K276 PolarHBondContact O-N 3.35Å; F274-K276 PolarHBondContact O-N 2.94Å
277	N	88.9	Confident	89.8	Confident	25 Å²	25	50.3 Å²	50.3	13%	0.134	26%	0.256	C	S	.	.			trans	-66.5	148.8	176.1	-76.4	-13.8	0	0	0	111.2	E275 L279 S319 N321	E275-N277 PolarHBondContact O-N 3.46Å; N277-L279 VanDerWaalsContact C-N 3.32Å; N277-L279 HydrophobicContact CB-CD2 4.14Å; N277-L279 PolarHBondContact O-N 3.07Å; N277-S319 PolarHBondContact ND2-OG 3.19Å; N277-N321 PolarHBondContact ND2-OD1 3.47Å
278	L	90.8	Very high	89.7	Confident	34 Å²	34	52.2 Å²	52.2	18%	0.178	27%	0.27	C	S	.	.			trans	-77.4	85.2	177.5	-60.8	-178.6	0	0	0	109.8	N145 L187 T229 R280	N145-L278 HydrophobicContact CB-CD1 4.3Å; L187-L278 HydrophobicContact CB-CD2 4.16Å; L187-L278 HydrophobicContact CD1-CD2 4.06Å; L187-L278 HydrophobicContact CD2-CD2 4.01Å; L187-L278 HydrophobicContact CG-CD2 4.3Å; T229-L278 HydrophobicContact CG2-CD2 4.48Å; L278-R280 PolarHBondContact O-N 3.28Å
279	L	93.3	Very high	89.8	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.245	C	C	.	.			trans	-73.4	117.9	179	-59.7	-162.2	0	0	0	110.3	T229 N243 H272 N277 G293 V320 N321	T229-L279 PolarHBondContact OG1-O 2.71Å; N243-L279 WeakPolarHBondContact ND2-CB 3.4Å; N243-L279 PolarHBondContact ND2-O 3.46Å; H272-L279 VanDerWaalsContact CD2-CD1 3.43Å; H272-L279 WeakPolarHBondContact CD2-CD1 3.13Å; H272-L279 WeakPolarHBondContact NE2-CD1 3.31Å; N277-L279 VanDerWaalsContact C-N 3.32Å; N277-L279 HydrophobicContact CB-CD2 4.14Å; N277-L279 PolarHBondContact O-N 3.07Å; L279-G293 WeakPolarHBondContact CD1-O 3.1Å; L279-V320 VanDerWaalsContact CD2-O 3.26Å; L279-V320 WeakPolarHBondContact CD2-O 3.21Å; L279-N321 WeakPolarHBondContact CA-O 3.25Å
280	R	92.4	Very high	90.1	Very high	6 Å²	6	45.9 Å²	45.9	2%	0.023	23%	0.232	C	C	.	.			trans	-94.6	160.5	-179.6	-51.6	-53	-175.2	169.5	13.4	111.2	E104 N145 L187 T229 L278 G293 N321 E322	E104-R280 IonicContact OE2-CZ 3.42Å; E104-R280 IonicContact OE2-NH1 2.72Å; E104-R280 IonicContact OE2-NH2 3.01Å; E104-R280 PolarHBondContact OE2-NH2 3.4Å; N145-R280 PolarHBondContact O-NH2 3.3Å; L187-R280 PolarHBondContact O-NH1 3.23Å; T229-R280 PolarHBondContact O-NH1 3.47Å; L278-R280 PolarHBondContact O-N 3.28Å; R280-G293 PolarHBondContact O-N 3.29Å; R280-N321 PolarHBondContact N-O 3.24Å; R280-E322 HydrophobicContact CB-CB 4.06Å; R280-E322 HydrophobicContact CB-CG 3.92Å; R280-E322 HydrophobicContact CG-CB 4.37Å
281	C	92.3	Very high	90.3	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.4	-178.4	62.7	0	0	0	0	110.7	S232 L241 N243 A291 A292	S232-C281 WeakPolarHBondContact CB-O 3.48Å; S232-C281 PolarHBondContact OG-O 2.61Å; L241-C281 HydrophobicContact CD2-CB 3.5Å; L241-C281 VanDerWaalsContact CD2-CB 3.5Å; L241-C281 HydrophobicContact CG-CB 4.1Å; N243-C281 HydrophobicContact CB-CB 4.38Å; C281-A291 WeakPolarHBondContact CA-O 3.04Å; C281-A292 HydrophobicContact CB-CB 4.26Å
282	S	93.1	Very high	90.4	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.2	178.1	66.5	0	0	0	0	111.9	A291 V323	S282-A291 PolarHBondContact N-O 2.83Å; S282-A291 PolarHBondContact O-N 3.48Å; S282-V323 WeakPolarHBondContact CB-O 3.36Å; S282-V323 PolarHBondContact OG-O 3.02Å
283	W	94.1	Very high	90.3	Very high	25 Å²	25	41.4 Å²	41.4	10%	0.095	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.3	169.5	-71.7	91.3	0	0	0	109.7	S232 L233 L241 I251 I290 T304 F325	S232-W283 PolarHBondContact O-NE1 3.12Å; L233-W283 VanDerWaalsContact C-CD1 3.5Å; L241-W283 HydrophobicContact CB-CZ2 3.88Å; L241-W283 HydrophobicContact CD1-CZ2 4.4Å; I251-W283 HydrophobicContact CD1-CH2 3.74Å; I251-W283 HydrophobicContact CD1-CZ2 4.4Å; I251-W283 HydrophobicContact CG1-CH2 3.9Å; I251-W283 HydrophobicContact CG1-CZ2 4.05Å; I251-W283 HydrophobicContact CG2-CH2 4.29Å; I251-W283 HydrophobicContact CG2-CZ2 4.44Å; W283-I290 HydrophobicContact CD2-CG1 4.06Å; W283-I290 HydrophobicContact CE3-CD1 4.21Å; W283-I290 HydrophobicContact CE3-CG1 3.68Å; W283-I290 HydrophobicContact CH2-CD1 3.79Å; W283-I290 HydrophobicContact CH2-CG1 4.17Å; W283-I290 HydrophobicContact CZ2-CD1 4.23Å; W283-I290 HydrophobicContact CZ2-CG1 4.47Å; W283-I290 HydrophobicContact CZ3-CD1 3.79Å; W283-I290 HydrophobicContact CZ3-CG1 3.77Å; W283-T304 HydrophobicContact CE3-CG2 4.25Å; W283-T304 HydrophobicContact CH2-CG2 4.46Å; W283-T304 HydrophobicContact CZ3-CG2 3.63Å; W283-F325 VanDerWaalsContact C-CD2 3.47Å; W283-F325 WeakPolarHBondContact O-CD2 3.45Å
284	S	92.1	Very high	90.5	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.063	20%	0.199	C	C	.	.			trans	-67.7	156.7	160.1	86.1	0	0	0	0	109.9	D286 G287 S288 K289	S284-D286 VanDerWaalsContact C-N 3.25Å; S284-D286 PolarHBondContact O-N 3.27Å; S284-G287 PolarHBondContact O-N 3.14Å; S284-G287 PolarHBondContact OG-N 2.67Å; S284-S288 PolarHBondContact OG-N 3.31Å; S284-K289 PolarHBondContact N-O 3.03Å; S284-K289 PolarHBondContact OG-N 3.06Å
285	T	85.9	Confident	90.7	Very high	65 Å²	65	31.5 Å²	31.5	40%	0.399	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.7	178.3	43.7	0	0	0	0	112.5	S235 G287 P327	S235-T285 PolarHBondContact OG-O 2.95Å; T285-G287 PolarHBondContact O-N 2.83Å; T285-P327 HydrophobicContact CG2-CB 4.32Å; T285-P327 VanDerWaalsContact CG2-O 3.29Å; T285-P327 WeakPolarHBondContact CG2-O 3.45Å; T285-P327 PolarHBondContact OG1-O 3.03Å
286	D	85.8	Confident	91.1	Very high	138 Å²	138	28.7 Å²	28.7	74%	0.738	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.8	175.3	-57.3	-21.1	0	0	0	114.1	S284 S288	S284-D286 VanDerWaalsContact C-N 3.25Å; S284-D286 PolarHBondContact O-N 3.27Å; D286-S288 PolarHBondContact O-N 3.04Å
287	G	87.2	Confident	91.3	Very high	15 Å²	15	27.9 Å²	27.9	16%	0.155	15%	0.147	C	C	.	.	S	Bend	trans	68.7	7.6	-174.3	0	0	0	0	0	114.8	S284 T285 T304	S284-G287 PolarHBondContact O-N 3.14Å; S284-G287 PolarHBondContact OG-N 2.67Å; T285-G287 PolarHBondContact O-N 2.83Å; G287-T304 VanDerWaalsContact O-CG2 3.29Å; G287-T304 WeakPolarHBondContact O-CG2 3.3Å; G287-T304 PolarHBondContact O-OG1 3.41Å; G287-T304 VanDerWaalsContact O-OG1 3.09Å
288	S	89.9	Confident	91.4	Very high	43 Å²	43	29.4 Å²	29.4	30%	0.301	15%	0.153	S	C	.	.	S	Bend	trans	-82.1	-31.7	179.4	62.2	0	0	0	0	112.7	S284 D286 T304	S284-S288 PolarHBondContact OG-N 3.31Å; D286-S288 PolarHBondContact O-N 3.04Å; S288-T304 VanDerWaalsContact O-CG2 3.31Å; S288-T304 WeakPolarHBondContact O-CG2 3.4Å; S288-T304 PolarHBondContact O-N 3.16Å; S288-T304 PolarHBondContact O-OG1 3.4Å; S288-T304 VanDerWaalsContact O-OG1 3.09Å
289	K	92.7	Very high	91.6	Very high	35 Å²	35	28 Å²	28	15%	0.152	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.4	-179.1	-57.6	175.6	-169	171	0	110.5	S284 I301 W302 L310 F325 I346 Q347	S284-K289 PolarHBondContact N-O 3.03Å; S284-K289 PolarHBondContact OG-N 3.06Å; K289-I301 HydrophobicContact CB-CG2 4.09Å; K289-I301 HydrophobicContact CD-CG2 4.46Å; K289-W302 WeakPolarHBondContact CA-O 3.1Å; K289-L310 HydrophobicContact CD-CD1 4.17Å; K289-L310 HydrophobicContact CG-CD1 3.92Å; K289-F325 HydrophobicContact CB-CE1 4.32Å; K289-F325 HydrophobicContact CB-CZ 4Å; K289-I346 HydrophobicContact CD-CD1 3.93Å; K289-Q347 PolarHBondContact NZ-O 3.43Å
290	I	94.4	Very high	91.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.7	171.2	-76.1	160.8	0	0	0	108.3	L241 I251 F267 W283 I301 W302 T304	L241-I290 HydrophobicContact CD1-CD1 3.76Å; L241-I290 HydrophobicContact CD1-CG1 4.25Å; L241-I290 HydrophobicContact CD1-CG2 3.89Å; L241-I290 HydrophobicContact CD2-CB 4.36Å; L241-I290 HydrophobicContact CD2-CG1 4.2Å; L241-I290 HydrophobicContact CD2-CG2 3.33Å; L241-I290 HydrophobicContact CG-CG2 4.25Å; I251-I290 HydrophobicContact CD1-CD1 3.46Å; I251-I290 VanDerWaalsContact CD1-CD1 3.46Å; I251-I290 HydrophobicContact CG1-CD1 3.86Å; F267-I290 HydrophobicContact CE2-CD1 4.19Å; F267-I290 HydrophobicContact CZ-CD1 4.05Å; W283-I290 HydrophobicContact CD2-CG1 4.06Å; W283-I290 HydrophobicContact CE3-CD1 4.21Å; W283-I290 HydrophobicContact CE3-CG1 3.68Å; W283-I290 HydrophobicContact CH2-CD1 3.79Å; W283-I290 HydrophobicContact CH2-CG1 4.17Å; W283-I290 HydrophobicContact CZ2-CD1 4.23Å; W283-I290 HydrophobicContact CZ2-CG1 4.47Å; W283-I290 HydrophobicContact CZ3-CD1 3.79Å; W283-I290 HydrophobicContact CZ3-CG1 3.77Å; I290-I301 CarbonylContact O-C 3.58Å; I290-I301 VanDerWaalsContact O-CA 3.23Å; I290-I301 WeakPolarHBondContact O-CA 3.25Å; I290-W302 HydrophobicContact CG2-CE3 4.02Å; I290-W302 HydrophobicContact CG2-CZ3 4.49Å; I290-W302 PolarHBondContact N-O 2.62Å; I290-W302 PolarHBondContact O-N 3.36Å; I290-T304 HydrophobicContact CB-CG2 4.43Å; I290-T304 HydrophobicContact CD1-CG2 3.4Å; I290-T304 VanDerWaalsContact CD1-CG2 3.4Å; I290-T304 HydrophobicContact CG1-CG2 3.53Å
291	A	93.7	Very high	91.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.8	168.9	0	0	0	0	0	111.6	C281 S282 Y300 I301 V323 F325	C281-A291 WeakPolarHBondContact CA-O 3.04Å; S282-A291 PolarHBondContact N-O 2.83Å; S282-A291 PolarHBondContact O-N 3.48Å; A291-Y300 VanDerWaalsContact CA-O 3.32Å; A291-Y300 WeakPolarHBondContact CA-O 3.32Å; A291-I301 HydrophobicContact CB-CG1 4.28Å; A291-V323 HydrophobicContact CB-CB 3.93Å; A291-V323 HydrophobicContact CB-CG1 3.53Å; A291-F325 HydrophobicContact CB-CD2 4.34Å; A291-F325 HydrophobicContact CB-CE2 3.39Å; A291-F325 HydrophobicContact CB-CZ 3.59Å
292	A	93.3	Very high	91.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144	168.2	0	0	0	0	0	110	V249 C281 Y300 W302	V249-A292 HydrophobicContact CG2-CB 4.04Å; C281-A292 HydrophobicContact CB-CB 4.26Å; A292-Y300 PolarHBondContact N-O 2.96Å; A292-Y300 VanDerWaalsContact N-O 3.1Å; A292-Y300 PolarHBondContact O-N 2.89Å; A292-W302 HydrophobicContact CB-CH2 3.81Å; A292-W302 HydrophobicContact CB-CZ3 3.52Å
293	G	90.4	Very high	91.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.			trans	-68.4	153.6	167	0	0	0	0	0	111.1	L279 R280 V320	L279-G293 WeakPolarHBondContact CD1-O 3.1Å; R280-G293 PolarHBondContact O-N 3.29Å; G293-V320 CarbonylContact C-O 3.59Å; G293-V320 WeakPolarHBondContact CA-O 3.07Å
294	S	92.5	Very high	91.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.			trans	-141.2	147.4	176.9	177	0	0	0	0	110.3	I271 D296 R297 Y300 V320	I271-S294 PolarHBondContact N-OG 3.18Å; I271-S294 PolarHBondContact O-OG 2.89Å; S294-D296 WeakPolarHBondContact CB-OD1 3.47Å; S294-D296 PolarHBondContact O-N 2.84Å; S294-D296 PolarHBondContact OG-N 3.43Å; S294-D296 PolarHBondContact OG-OD1 3.21Å; S294-R297 PolarHBondContact O-N 3.13Å; S294-Y300 VanDerWaalsContact CB-CD2 3.47Å; S294-Y300 VanDerWaalsContact CB-CE2 3.45Å; S294-Y300 WeakPolarHBondContact OG-CE2 3.45Å; S294-V320 PolarHBondContact N-O 3.28Å; S294-V320 PolarHBondContact O-N 2.93Å
295	A	91.8	Very high	91.5	Very high	12 Å²	12	32.9 Å²	32.9	10%	0.099	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.6	-179.3	0	0	0	0	0	113.3	I271 N273 R297	I271-A295 WeakPolarHBondContact O-CB 3.35Å; I271-A295 PolarHBondContact O-N 3.47Å; N273-A295 HydrophobicContact CB-CB 3.83Å; A295-R297 PolarHBondContact O-N 3.18Å
296	D	90.8	Very high	91.6	Very high	29 Å²	29	32.1 Å²	32.1	16%	0.155	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	7	172.7	72.6	-16.8	0	0	0	113.9	I271 S294 F298 Y300 K312	I271-D296 HydrophobicContact CB-CB 4.49Å; I271-D296 HydrophobicContact CD1-CB 4.27Å; S294-D296 WeakPolarHBondContact CB-OD1 3.47Å; S294-D296 PolarHBondContact O-N 2.84Å; S294-D296 PolarHBondContact OG-N 3.43Å; S294-D296 PolarHBondContact OG-OD1 3.21Å; D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 HydrophobicContact CB-CD2 4.27Å; D296-F298 WeakPolarHBondContact O-CD2 3.34Å; D296-F298 PolarHBondContact O-N 3.16Å; D296-F298 PolarHBondContact OD1-N 2.82Å; D296-F298 WeakPolarHBondContact OD2-CD2 3.3Å; D296-Y300 WeakPolarHBondContact OD1-CE2 3.35Å; D296-Y300 WeakPolarHBondContact OD2-CE2 3.44Å; D296-Y300 PolarHBondContact OD2-OH 3.01Å; D296-K312 IonicContact OD2-NZ 3Å
297	R	91.4	Very high	91.8	Very high	137 Å²	137	32.6 Å²	32.6	52%	0.517	17%	0.165	S	C	.	.	S	Bend	trans	73.4	11	179.1	-41.4	167.8	-74.6	-163.3	-2.2	114.6	S294 A295 H316 A317 G318	S294-R297 PolarHBondContact O-N 3.13Å; A295-R297 PolarHBondContact O-N 3.18Å; R297-H316 HydrophobicContact CB-CB 4.39Å; R297-H316 WeakPolarHBondContact CB-O 3.43Å; R297-A317 VanDerWaalsContact CD-C 3.48Å; R297-A317 WeakPolarHBondContact CD-O 3.37Å; R297-G318 WeakPolarHBondContact CA-O 3.31Å; R297-G318 VanDerWaalsContact CB-O 3.32Å; R297-G318 WeakPolarHBondContact CB-O 3.35Å; R297-G318 VanDerWaalsContact CG-O 3.29Å; R297-G318 WeakPolarHBondContact CG-O 3.35Å
298	F	92.4	Very high	92	Very high	58 Å²	58	40.8 Å²	40.8	25%	0.254	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-102.7	147	175.9	-68.4	-87.9	0	0	0	111.1	D296 Y300 K312 P314	D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 HydrophobicContact CB-CD2 4.27Å; D296-F298 WeakPolarHBondContact O-CD2 3.34Å; D296-F298 PolarHBondContact O-N 3.16Å; D296-F298 PolarHBondContact OD1-N 2.82Å; D296-F298 WeakPolarHBondContact OD2-CD2 3.3Å; F298-Y300 HydrophobicContact CB-CD2 4.43Å; F298-Y300 HydrophobicContact CB-CE2 3.91Å; F298-K312 HydrophobicContact CB-CG 3.98Å; F298-K312 HydrophobicContact CD1-CD 4.25Å; F298-K312 HydrophobicContact CD1-CG 3.65Å; F298-K312 VanDerWaalsContact CD2-CE 3.47Å; F298-K312 HydrophobicContact CE1-CG 4.31Å; F298-K312 HydrophobicContact CG-CD 4.34Å; F298-K312 HydrophobicContact CG-CG 3.93Å; F298-P314 HydrophobicContact CD1-CB 4.12Å; F298-P314 HydrophobicContact CE1-CB 3.7Å
299	V	93.3	Very high	92.1	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122	166.9	176.5	0	0	0	0	108	I301 K312 L313 V320 V323 V332 S334	V299-I301 HydrophobicContact CG1-CG1 4.31Å; V299-K312 WeakPolarHBondContact O-CA 3.46Å; V299-L313 HydrophobicContact CB-CB 4.19Å; V299-L313 HydrophobicContact CG1-CD1 4.5Å; V299-L313 PolarHBondContact N-O 2.82Å; V299-L313 VanDerWaalsContact N-O 3.11Å; V299-L313 PolarHBondContact O-N 2.9Å; V299-V320 HydrophobicContact CG2-CG1 4.16Å; V299-V320 HydrophobicContact CG2-CG2 4.23Å; V299-V323 HydrophobicContact CG1-CB 4.4Å; V299-V323 HydrophobicContact CG1-CG1 3.67Å; V299-V323 HydrophobicContact CG1-CG2 3.83Å; V299-V323 HydrophobicContact CG2-CG2 4.28Å; V299-V332 HydrophobicContact CG1-CG1 4.5Å; V299-S334 VanDerWaalsContact CG2-CB 3.44Å
300	Y	94.4	Very high	92	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.027	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.3	176.5	-73	-87.7	0	0	0	110.7	G269 A291 A292 S294 D296 F298 W302 I309 K312	G269-Y300 PolarHBondContact O-OH 3.29Å; A291-Y300 VanDerWaalsContact CA-O 3.32Å; A291-Y300 WeakPolarHBondContact CA-O 3.32Å; A292-Y300 PolarHBondContact N-O 2.96Å; A292-Y300 VanDerWaalsContact N-O 3.1Å; A292-Y300 PolarHBondContact O-N 2.89Å; S294-Y300 VanDerWaalsContact CB-CD2 3.47Å; S294-Y300 VanDerWaalsContact CB-CE2 3.45Å; S294-Y300 WeakPolarHBondContact OG-CE2 3.45Å; D296-Y300 WeakPolarHBondContact OD1-CE2 3.35Å; D296-Y300 WeakPolarHBondContact OD2-CE2 3.44Å; D296-Y300 PolarHBondContact OD2-OH 3.01Å; F298-Y300 HydrophobicContact CB-CD2 4.43Å; F298-Y300 HydrophobicContact CB-CE2 3.91Å; Y300-W302 HydrophobicContact CD1-CZ2 4.14Å; Y300-W302 AromaticContact CG-CH2 3.96Å; Y300-W302 HydrophobicContact CG-CH2 3.96Å; Y300-W302 AromaticContact CG-CZ2 3.95Å; Y300-W302 HydrophobicContact CG-CZ2 3.95Å; Y300-I309 HydrophobicContact CD1-CD1 4.2Å; Y300-I309 HydrophobicContact CD1-CG1 4.43Å; Y300-I309 HydrophobicContact CD1-CG2 4.19Å; Y300-I309 HydrophobicContact CE1-CD1 4.17Å; Y300-K312 HydrophobicContact CE1-CD 3.9Å; Y300-K312 HydrophobicContact CE1-CG 4.1Å; Y300-K312 VanDerWaalsContact OH-CE 3.29Å; Y300-K312 WeakPolarHBondContact OH-CE 3.07Å; Y300-K312 PolarHBondContact OH-NZ 3.28Å
301	I	94.4	Very high	91.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.2	171.5	-56.2	175.1	0	0	0	108.2	K289 I290 A291 V299 I309 L310 Y311 L313 F325 V332 I346	K289-I301 HydrophobicContact CB-CG2 4.09Å; K289-I301 HydrophobicContact CD-CG2 4.46Å; I290-I301 CarbonylContact O-C 3.58Å; I290-I301 VanDerWaalsContact O-CA 3.23Å; I290-I301 WeakPolarHBondContact O-CA 3.25Å; A291-I301 HydrophobicContact CB-CG1 4.28Å; V299-I301 HydrophobicContact CG1-CG1 4.31Å; I301-I309 CarbonylContact O-C 3.57Å; I301-L310 HydrophobicContact CG2-CD1 4.48Å; I301-L310 PolarHBondContact O-N 2.85Å; I301-Y311 HydrophobicContact CB-CD2 4.24Å; I301-Y311 HydrophobicContact CD1-CD2 4.22Å; I301-Y311 HydrophobicContact CG2-CD2 4.29Å; I301-Y311 PolarHBondContact N-O 2.95Å; I301-Y311 PolarHBondContact O-N 2.92Å; I301-L313 HydrophobicContact CD1-CD1 4.38Å; I301-F325 HydrophobicContact CD1-CE1 4.37Å; I301-F325 HydrophobicContact CG1-CZ 4.5Å; I301-F325 HydrophobicContact CG2-CE1 4.5Å; I301-F325 HydrophobicContact CG2-CZ 4.1Å; I301-V332 HydrophobicContact CD1-CG1 4.38Å; I301-V332 HydrophobicContact CD1-CG2 3.85Å; I301-I346 HydrophobicContact CD1-CD1 4.31Å; I301-I346 HydrophobicContact CD1-CG2 4.17Å
302	W	94.6	Very high	91.8	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.2	176.1	-59.7	-96.5	0	0	0	110.9	V249 F267 Q268 N270 K289 I290 A292 Y300 R308 I309	V249-W302 HydrophobicContact CG2-CH2 4Å; V249-W302 HydrophobicContact CG2-CZ3 4.36Å; F267-W302 HydrophobicContact CB-CD2 4.44Å; F267-W302 HydrophobicContact CB-CG 4.39Å; F267-W302 HydrophobicContact CD1-CB 3.72Å; F267-W302 AromaticContact CD1-CD1 3.72Å; F267-W302 HydrophobicContact CD1-CD2 4.48Å; F267-W302 AromaticContact CD1-CG 3.71Å; F267-W302 HydrophobicContact CD1-CG 3.71Å; F267-W302 HydrophobicContact CE1-CB 3.92Å; F267-W302 HydrophobicContact CE1-CG 4.42Å; F267-W302 HydrophobicContact CG-CG 4.36Å; Q268-W302 PolarHBondContact O-NE1 3.25Å; N270-W302 HydrophobicContact CB-CH2 4.16Å; N270-W302 HydrophobicContact CB-CZ2 4.43Å; K289-W302 WeakPolarHBondContact CA-O 3.1Å; I290-W302 HydrophobicContact CG2-CE3 4.02Å; I290-W302 HydrophobicContact CG2-CZ3 4.49Å; I290-W302 PolarHBondContact N-O 2.62Å; I290-W302 PolarHBondContact O-N 3.36Å; A292-W302 HydrophobicContact CB-CH2 3.81Å; A292-W302 HydrophobicContact CB-CZ3 3.52Å; Y300-W302 HydrophobicContact CD1-CZ2 4.14Å; Y300-W302 AromaticContact CG-CH2 3.96Å; Y300-W302 HydrophobicContact CG-CH2 3.96Å; Y300-W302 AromaticContact CG-CZ2 3.95Å; Y300-W302 HydrophobicContact CG-CZ2 3.95Å; W302-R308 VanDerWaalsContact CA-O 3.32Å; W302-R308 WeakPolarHBondContact CA-O 3.39Å; W302-I309 VanDerWaalsContact NE1-CG1 3.29Å
303	D	93.6	Very high	91.6	Very high	30 Å²	30	55.3 Å²	55.3	16%	0.16	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.1	163.2	171.5	13.3	0	0	0	109.3	T305 S306 R307 R308 L310	D303-T305 VanDerWaalsContact C-N 3.28Å; D303-T305 VanDerWaalsContact CG-OG1 3.31Å; D303-T305 PolarHBondContact O-N 2.93Å; D303-T305 PolarHBondContact OD1-N 2.82Å; D303-T305 PolarHBondContact OD1-OG1 2.84Å; D303-T305 PolarHBondContact OD2-OG1 3.3Å; D303-S306 WeakPolarHBondContact CB-OG 3.26Å; D303-S306 VanDerWaalsContact CG-OG 3.3Å; D303-S306 WeakPolarHBondContact OD2-CB 3.44Å; D303-S306 PolarHBondContact OD2-N 2.87Å; D303-S306 PolarHBondContact OD2-OG 3.23Å; D303-R307 WeakPolarHBondContact O-CA 3.41Å; D303-R307 PolarHBondContact O-N 2.93Å; D303-R308 PolarHBondContact N-O 3.23Å; D303-L310 HydrophobicContact CB-CD1 3.74Å; D303-L310 HydrophobicContact CB-CD2 3.96Å; D303-L310 HydrophobicContact CB-CG 3.71Å
304	T	88.8	Confident	91.6	Very high	13 Å²	13	60.1 Å²	60.1	8%	0.08	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.8	-177.2	64.3	0	0	0	0	111.7	K265 W283 G287 S288 I290	K265-T304 WeakPolarHBondContact CD-O 3.42Å; K265-T304 PolarHBondContact NZ-O 3.47Å; W283-T304 HydrophobicContact CE3-CG2 4.25Å; W283-T304 HydrophobicContact CH2-CG2 4.46Å; W283-T304 HydrophobicContact CZ3-CG2 3.63Å; G287-T304 VanDerWaalsContact O-CG2 3.29Å; G287-T304 WeakPolarHBondContact O-CG2 3.3Å; G287-T304 PolarHBondContact O-OG1 3.41Å; G287-T304 VanDerWaalsContact O-OG1 3.09Å; S288-T304 VanDerWaalsContact O-CG2 3.31Å; S288-T304 WeakPolarHBondContact O-CG2 3.4Å; S288-T304 PolarHBondContact O-N 3.16Å; S288-T304 PolarHBondContact O-OG1 3.4Å; S288-T304 VanDerWaalsContact O-OG1 3.09Å; I290-T304 HydrophobicContact CB-CG2 4.43Å; I290-T304 HydrophobicContact CD1-CG2 3.4Å; I290-T304 VanDerWaalsContact CD1-CG2 3.4Å; I290-T304 HydrophobicContact CG1-CG2 3.53Å
305	T	89.9	Confident	91.3	Very high	103 Å²	103	62.1 Å²	62.1	63%	0.632	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-54.7	-178	63.5	0	0	0	0	111.8	D303	D303-T305 VanDerWaalsContact C-N 3.28Å; D303-T305 VanDerWaalsContact CG-OG1 3.31Å; D303-T305 PolarHBondContact O-N 2.93Å; D303-T305 PolarHBondContact OD1-N 2.82Å; D303-T305 PolarHBondContact OD1-OG1 2.84Å; D303-T305 PolarHBondContact OD2-OG1 3.3Å
306	S	88.6	Confident	91.3	Very high	50 Å²	50	62.2 Å²	62.2	35%	0.35	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.8	-175.8	68.4	0	0	0	0	114.4	D303 R308	D303-S306 WeakPolarHBondContact CB-OG 3.26Å; D303-S306 VanDerWaalsContact CG-OG 3.3Å; D303-S306 WeakPolarHBondContact OD2-CB 3.44Å; D303-S306 PolarHBondContact OD2-N 2.87Å; D303-S306 PolarHBondContact OD2-OG 3.23Å; S306-R308 PolarHBondContact O-N 2.8Å; S306-R308 PolarHBondContact OG-N 2.73Å
307	R	89.4	Confident	91.3	Very high	147 Å²	147	64.2 Å²	64.2	56%	0.555	33%	0.327	S	S	*	.			trans	61.2	13.3	-174.2	-62.3	176.6	-81.5	179.7	-6.9	114.6	K265 F267 D303	K265-R307 HydrophobicContact CB-CG 4.49Å; K265-R307 HydrophobicContact CD-CG 4.03Å; K265-R307 HydrophobicContact CG-CG 4.48Å; F267-R307 HydrophobicContact CD1-CB 4.24Å; F267-R307 HydrophobicContact CD1-CG 4.44Å; F267-R307 HydrophobicContact CE1-CB 4.01Å; F267-R307 HydrophobicContact CE1-CG 3.88Å; F267-R307 HydrophobicContact CZ-CG 4.1Å; D303-R307 WeakPolarHBondContact O-CA 3.41Å; D303-R307 PolarHBondContact O-N 2.93Å
308	R	91.1	Very high	91.3	Very high	187 Å²	187	58.5 Å²	58.5	71%	0.706	31%	0.311	S	S	*	.			trans	-88.3	149.9	178.6	-65.4	-178.7	178.5	-177.3	-0.4	110.1	W302 D303 S306 L310	W302-R308 VanDerWaalsContact CA-O 3.32Å; W302-R308 WeakPolarHBondContact CA-O 3.39Å; D303-R308 PolarHBondContact N-O 3.23Å; S306-R308 PolarHBondContact O-N 2.8Å; S306-R308 PolarHBondContact OG-N 2.73Å; R308-L310 PolarHBondContact O-N 2.87Å
309	I	92.5	Very high	91.3	Very high	77 Å²	77	55.8 Å²	55.8	40%	0.395	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	114.2	166.8	-61	163.1	0	0	0	106.5	Y300 I301 W302 Y311 K312	Y300-I309 HydrophobicContact CD1-CD1 4.2Å; Y300-I309 HydrophobicContact CD1-CG1 4.43Å; Y300-I309 HydrophobicContact CD1-CG2 4.19Å; Y300-I309 HydrophobicContact CE1-CD1 4.17Å; I301-I309 CarbonylContact O-C 3.57Å; W302-I309 VanDerWaalsContact NE1-CG1 3.29Å; I309-Y311 WeakPolarHBondContact CG2-O 3.21Å; I309-K312 HydrophobicContact CG2-CB 4.35Å
310	L	90.9	Very high	91.3	Very high	76 Å²	76	55.7 Å²	55.7	40%	0.398	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-50.2	173.3	-72.4	174.8	0	0	0	110.1	K289 I301 D303 R308	K289-L310 HydrophobicContact CD-CD1 4.17Å; K289-L310 HydrophobicContact CG-CD1 3.92Å; I301-L310 HydrophobicContact CG2-CD1 4.48Å; I301-L310 PolarHBondContact O-N 2.85Å; D303-L310 HydrophobicContact CB-CD1 3.74Å; D303-L310 HydrophobicContact CB-CD2 3.96Å; D303-L310 HydrophobicContact CB-CG 3.71Å; R308-L310 PolarHBondContact O-N 2.87Å
311	Y	90.6	Very high	91.3	Very high	72 Å²	72	55.3 Å²	55.3	28%	0.282	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.1	-177	-59	-80	0	0	0	110.8	I301 I309 L313 I346 Q347	I301-Y311 HydrophobicContact CB-CD2 4.24Å; I301-Y311 HydrophobicContact CD1-CD2 4.22Å; I301-Y311 HydrophobicContact CG2-CD2 4.29Å; I301-Y311 PolarHBondContact N-O 2.95Å; I301-Y311 PolarHBondContact O-N 2.92Å; I309-Y311 WeakPolarHBondContact CG2-O 3.21Å; Y311-L313 HydrophobicContact CD1-CD2 4.31Å; Y311-I346 HydrophobicContact CE2-CB 4.38Å; Y311-Q347 PolarHBondContact OH-O 3.25Å; Y311-Q347 VanDerWaalsContact OH-O 3.07Å
312	K	92.6	Very high	91.3	Very high	99 Å²	99	55.4 Å²	55.4	43%	0.43	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	91.1	165.9	179.8	172.5	177.6	157.7	0	106.8	D296 F298 V299 Y300 I309 P314	D296-K312 IonicContact OD2-NZ 3Å; F298-K312 HydrophobicContact CB-CG 3.98Å; F298-K312 HydrophobicContact CD1-CD 4.25Å; F298-K312 HydrophobicContact CD1-CG 3.65Å; F298-K312 VanDerWaalsContact CD2-CE 3.47Å; F298-K312 HydrophobicContact CE1-CG 4.31Å; F298-K312 HydrophobicContact CG-CD 4.34Å; F298-K312 HydrophobicContact CG-CG 3.93Å; V299-K312 WeakPolarHBondContact O-CA 3.46Å; Y300-K312 HydrophobicContact CE1-CD 3.9Å; Y300-K312 HydrophobicContact CE1-CG 4.1Å; Y300-K312 VanDerWaalsContact OH-CE 3.29Å; Y300-K312 WeakPolarHBondContact OH-CE 3.07Å; Y300-K312 PolarHBondContact OH-NZ 3.28Å; I309-K312 HydrophobicContact CG2-CB 4.35Å; K312-P314 WeakPolarHBondContact O-CD 3.38Å
313	L	89.3	Confident	91.3	Very high	59 Å²	59	55.3 Å²	55.3	31%	0.309	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.1	-172	-54	171.4	0	0	0	110	V299 I301 Y311	V299-L313 HydrophobicContact CB-CB 4.19Å; V299-L313 HydrophobicContact CG1-CD1 4.5Å; V299-L313 PolarHBondContact N-O 2.82Å; V299-L313 VanDerWaalsContact N-O 3.11Å; V299-L313 PolarHBondContact O-N 2.9Å; I301-L313 HydrophobicContact CD1-CD1 4.38Å; Y311-L313 HydrophobicContact CD1-CD2 4.31Å
314	P	91.3	Very high	91.3	Very high	102 Å²	102	54.5 Å²	54.5	66%	0.662	29%	0.293	S	S	*	.			trans	-79.1	162.2	167.4	31.3	-31.3	0	0	0	111.1	F298 K312	F298-P314 HydrophobicContact CD1-CB 4.12Å; F298-P314 HydrophobicContact CE1-CB 3.7Å; K312-P314 WeakPolarHBondContact O-CD 3.38Å
315	G	86.4	Confident	91.6	Very high	41 Å²	41	54.6 Å²	54.6	42%	0.423	29%	0.292	S	S	.	.			trans	150.2	-28.5	168.9	0	0	0	0	0	113.3	Y342	G315-Y342 VanDerWaalsContact O-CE2 3.28Å; G315-Y342 WeakPolarHBondContact O-CE2 3.25Å; G315-Y342 PolarHBondContact O-OH 3.31Å
316	H	92	Very high	91.6	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.065	26%	0.263	C	S	.	.			trans	-78.9	144.5	176.6	-71.4	-74.9	0	0	0	112.2	R297 V320 S334 S336 D338 Y342	R297-H316 HydrophobicContact CB-CB 4.39Å; R297-H316 WeakPolarHBondContact CB-O 3.43Å; H316-V320 HydrophobicContact CB-CG2 4.06Å; H316-V320 VanDerWaalsContact CD2-CG2 3.49Å; H316-V320 WeakPolarHBondContact CD2-CG2 3.45Å; H316-S334 PolarHBondContact CE1-O 2.78Å; H316-S334 WeakPolarHBondContact NE2-CB 3.41Å; H316-S334 PolarHBondContact NE2-OG 3.06Å; H316-S336 VanDerWaalsContact CE1-CB 3.43Å; H316-S336 WeakPolarHBondContact CE1-CB 3.43Å; H316-S336 WeakPolarHBondContact ND1-CB 3.34Å; H316-S336 PolarHBondContact ND1-OG 3.15Å; H316-D338 VanDerWaalsContact CA-OD2 3.31Å; H316-D338 WeakPolarHBondContact CA-OD2 3.44Å; H316-D338 IonicContact CG-OD2 3.94Å; H316-D338 IonicContact ND1-OD1 3.12Å; H316-D338 PolarHBondContact ND1-OD1 2.97Å; H316-D338 IonicContact ND1-OD2 3.27Å; H316-D338 PolarHBondContact ND1-OD2 3.24Å; H316-Y342 AromaticContact CD2-CD2 3.97Å; H316-Y342 AromaticContact CE1-CD2 3.35Å; H316-Y342 WeakPolarHBondContact CE1-CD2 3.38Å; H316-Y342 AromaticContact CE1-CE2 3.97Å; H316-Y342 AromaticContact CG-CD2 3.96Å; H316-Y342 AromaticContact ND1-CD2 3.52Å; H316-Y342 AromaticContact ND1-CE2 3.66Å; H316-Y342 AromaticContact NE2-CD2 3.6Å
317	A	90.7	Very high	91.6	Very high	72 Å²	72	49 Å²	49	60%	0.595	26%	0.256	S	S	*	.	S	Bend	trans	-92.1	-16.7	174.8	0	0	0	0	0	113	R297 D338	R297-A317 VanDerWaalsContact CD-C 3.48Å; R297-A317 WeakPolarHBondContact CD-O 3.37Å; A317-D338 HydrophobicContact CB-CB 3.9Å; A317-D338 PolarHBondContact N-OD2 2.93Å
318	G	90.3	Very high	91.4	Very high	17 Å²	17	49.1 Å²	49.1	18%	0.175	26%	0.263	C	S	.	.	S	Bend	trans	-128.6	-178.5	-178.4	0	0	0	0	0	112.8	R297 V320 S336	R297-G318 WeakPolarHBondContact CA-O 3.31Å; R297-G318 VanDerWaalsContact CB-O 3.32Å; R297-G318 WeakPolarHBondContact CB-O 3.35Å; R297-G318 VanDerWaalsContact CG-O 3.29Å; R297-G318 WeakPolarHBondContact CG-O 3.35Å; G318-V320 PolarHBondContact O-N 2.94Å; G318-S336 PolarHBondContact O-OG 3.28Å
319	S	92.4	Very high	91.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	24%	0.237	C	C	.	.			trans	-60.8	133.7	178.1	58.8	0	0	0	0	111.2	E275 N277 N321 S336 S337	E275-S319 PolarHBondContact OE2-OG 3.45Å; N277-S319 PolarHBondContact ND2-OG 3.19Å; S319-N321 PolarHBondContact O-N 2.92Å; S319-S336 CarbonylContact O-C 3.57Å; S319-S336 WeakPolarHBondContact O-CA 3.36Å; S319-S336 WeakPolarHBondContact O-CB 3.49Å; S319-S336 PolarHBondContact O-OG 3.32Å; S319-S337 PolarHBondContact O-N 3.2Å; S319-S337 PolarHBondContact OG-OG 3.15Å; S319-S337 VanDerWaalsContact OG-OG 3.07Å
320	V	94.7	Very high	90.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	111.7	175.8	-176.7	0	0	0	0	108.6	L279 G293 S294 V299 H316 G318 V323 G335	L279-V320 VanDerWaalsContact CD2-O 3.26Å; L279-V320 WeakPolarHBondContact CD2-O 3.21Å; G293-V320 CarbonylContact C-O 3.59Å; G293-V320 WeakPolarHBondContact CA-O 3.07Å; S294-V320 PolarHBondContact N-O 3.28Å; S294-V320 PolarHBondContact O-N 2.93Å; V299-V320 HydrophobicContact CG2-CG1 4.16Å; V299-V320 HydrophobicContact CG2-CG2 4.23Å; H316-V320 HydrophobicContact CB-CG2 4.06Å; H316-V320 VanDerWaalsContact CD2-CG2 3.49Å; H316-V320 WeakPolarHBondContact CD2-CG2 3.45Å; G318-V320 PolarHBondContact O-N 2.94Å; V320-V323 HydrophobicContact CG1-CG2 3.58Å; V320-G335 CarbonylContact C-O 3.54Å
321	N	93.9	Very high	90.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-41.3	-174.5	-65.4	-34.5	0	0	0	112	V59 N277 L279 R280 S319 G335 S337	V59-N321 WeakPolarHBondContact O-CB 3.42Å; V59-N321 PolarHBondContact O-ND2 3.47Å; N277-N321 PolarHBondContact ND2-OD1 3.47Å; L279-N321 WeakPolarHBondContact CA-O 3.25Å; R280-N321 PolarHBondContact N-O 3.24Å; S319-N321 PolarHBondContact O-N 2.92Å; N321-G335 PolarHBondContact N-O 3.05Å; N321-S337 PolarHBondContact ND2-OG 2.88Å; N321-S337 VanDerWaalsContact ND2-OG 3.14Å
322	E	94.3	Very high	90.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.9	178.9	-176.4	164.8	-148.2	0	0	111.6	C61 C62 K63 R280 V324 S334 G335	C61-E322 WeakPolarHBondContact CA-OE2 3.28Å; C61-E322 WeakPolarHBondContact CB-OE2 3.31Å; C62-E322 PolarHBondContact N-OE2 3.26Å; K63-E322 VanDerWaalsContact CE-OE1 3.25Å; K63-E322 WeakPolarHBondContact CE-OE1 3.22Å; K63-E322 IonicContact NZ-OE1 3.28Å; K63-E322 PolarHBondContact NZ-OE1 3.47Å; R280-E322 HydrophobicContact CB-CB 4.06Å; R280-E322 HydrophobicContact CB-CG 3.92Å; R280-E322 HydrophobicContact CG-CB 4.37Å; E322-V324 HydrophobicContact CG-CG2 3.78Å; E322-S334 WeakPolarHBondContact O-CA 3.34Å; E322-G335 PolarHBondContact N-O 2.93Å; E322-G335 PolarHBondContact O-N 2.82Å
323	V	94.1	Very high	91	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.2	174.3	-174.7	0	0	0	0	107.9	S282 A291 V299 V320 V332 L333	S282-V323 WeakPolarHBondContact CB-O 3.36Å; S282-V323 PolarHBondContact OG-O 3.02Å; A291-V323 HydrophobicContact CB-CB 3.93Å; A291-V323 HydrophobicContact CB-CG1 3.53Å; V299-V323 HydrophobicContact CG1-CB 4.4Å; V299-V323 HydrophobicContact CG1-CG1 3.67Å; V299-V323 HydrophobicContact CG1-CG2 3.83Å; V299-V323 HydrophobicContact CG2-CG2 4.28Å; V320-V323 HydrophobicContact CG1-CG2 3.58Å; V323-V332 HydrophobicContact CG1-CG1 3.4Å; V323-L333 CarbonylContact C-O 3.48Å; V323-L333 VanDerWaalsContact CA-O 3.25Å; V323-L333 WeakPolarHBondContact CA-O 3.48Å; V323-L333 WeakPolarHBondContact CG1-O 3.1Å
324	V	94.4	Very high	91.2	Very high	13 Å²	13	26.1 Å²	26.1	8%	0.079	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.9	-176.8	-174.2	0	0	0	0	111.2	C62 K63 F64 E322 V332 L333	C62-V324 WeakPolarHBondContact O-CG2 3.31Å; K63-V324 HydrophobicContact CD-CG2 4.22Å; F64-V324 HydrophobicContact CD2-CB 4.41Å; F64-V324 HydrophobicContact CD2-CG1 3.93Å; E322-V324 HydrophobicContact CG-CG2 3.78Å; V324-V332 WeakPolarHBondContact O-CA 3.49Å; V324-L333 PolarHBondContact N-O 3.2Å; V324-L333 PolarHBondContact O-N 2.83Å
325	F	93.5	Very high	91.3	Very high	16 Å²	16	21.2 Å²	21.2	7%	0.07	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	142.7	171.4	-64.2	-84.1	0	0	0	111.1	F64 W283 K289 A291 I301 V331 V332 I346	F64-F325 WeakPolarHBondContact CD2-O 3.5Å; W283-F325 VanDerWaalsContact C-CD2 3.47Å; W283-F325 WeakPolarHBondContact O-CD2 3.45Å; K289-F325 HydrophobicContact CB-CE1 4.32Å; K289-F325 HydrophobicContact CB-CZ 4Å; A291-F325 HydrophobicContact CB-CD2 4.34Å; A291-F325 HydrophobicContact CB-CE2 3.39Å; A291-F325 HydrophobicContact CB-CZ 3.59Å; I301-F325 HydrophobicContact CD1-CE1 4.37Å; I301-F325 HydrophobicContact CG1-CZ 4.5Å; I301-F325 HydrophobicContact CG2-CE1 4.5Å; I301-F325 HydrophobicContact CG2-CZ 4.1Å; F325-V331 WeakPolarHBondContact CA-O 3.46Å; F325-V332 HydrophobicContact CD1-CG2 3.59Å; F325-V332 HydrophobicContact CE1-CG2 3.54Å; F325-I346 HydrophobicContact CD1-CD1 4.18Å; F325-I346 HydrophobicContact CE1-CD1 3.71Å
326	H	91.4	Very high	91.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	12%	0.115	C	C	.	.			trans	-67.3	147.3	168.1	-178.7	-80.5	0	0	0	110.4	F64 G68 E328 E329 V331	F64-H326 AromaticContact CD1-CD2 3.79Å; F64-H326 HydrophobicContact CD2-CB 4.2Å; F64-H326 HydrophobicContact CE1-CB 4.36Å; F64-H326 AromaticContact CE1-CD2 3.78Å; F64-H326 HydrophobicContact CE2-CB 3.97Å; F64-H326 HydrophobicContact CG-CB 4.49Å; F64-H326 HydrophobicContact CZ-CB 4.05Å; G68-H326 WeakPolarHBondContact CA-NE2 3.26Å; G68-H326 PolarHBondContact O-NE2 3.49Å; H326-E328 PolarHBondContact ND1-N 2.91Å; H326-E328 VanDerWaalsContact ND1-N 3.12Å; H326-E329 WeakPolarHBondContact CB-O 3.29Å; H326-E329 PolarHBondContact CE1-N 2.9Å; H326-E329 PolarHBondContact ND1-N 3.2Å; H326-E329 PolarHBondContact ND1-O 3.16Å; H326-V331 HydrophobicContact CB-CB 3.7Å; H326-V331 HydrophobicContact CB-CG1 4.46Å; H326-V331 WeakPolarHBondContact CB-O 3.29Å; H326-V331 PolarHBondContact N-O 2.8Å
327	P	87.7	Confident	91.7	Very high	34 Å²	34	19.6 Å²	19.6	22%	0.221	12%	0.119	C	C	.	.	S	Bend	trans	-69.5	-37.6	-173.5	22.9	-33.3	0	0	0	114.9	P66 T285	P66-P327 WeakPolarHBondContact O-CG 3.33Å; T285-P327 HydrophobicContact CG2-CB 4.32Å; T285-P327 VanDerWaalsContact CG2-O 3.29Å; T285-P327 WeakPolarHBondContact CG2-O 3.45Å; T285-P327 PolarHBondContact OG1-O 3.03Å
328	E	86.1	Confident	91.7	Very high	148 Å²	148	17.2 Å²	17.2	69%	0.692	10%	0.096	S	C	*	.	S	Bend	trans	-108.7	-55.9	-172.8	-56.6	-175.8	159	0	0	112.4	H326	H326-E328 PolarHBondContact ND1-N 2.91Å; H326-E328 VanDerWaalsContact ND1-N 3.12Å
329	E	87.1	Confident	91.8	Very high	33 Å²	33	21.1 Å²	21.1	15%	0.154	11%	0.109	C	C	.	.	S	Bend	trans	-81.7	153.2	176.9	-56.3	-170	162.3	0	0	112.6	S43 S44 H326 V331	S43-E329 WeakPolarHBondContact CA-OE2 3.41Å; S43-E329 VanDerWaalsContact CB-OE2 3.28Å; S43-E329 WeakPolarHBondContact CB-OE2 3.45Å; S44-E329 WeakPolarHBondContact CB-OE1 3.29Å; S44-E329 PolarHBondContact N-OE1 2.81Å; S44-E329 VanDerWaalsContact N-OE1 3.1Å; S44-E329 PolarHBondContact N-OE2 3.41Å; S44-E329 PolarHBondContact OG-OE1 2.84Å; H326-E329 WeakPolarHBondContact CB-O 3.29Å; H326-E329 PolarHBondContact CE1-N 2.9Å; H326-E329 PolarHBondContact ND1-N 3.2Å; H326-E329 PolarHBondContact ND1-O 3.16Å; E329-V331 HydrophobicContact CB-CG2 3.93Å; E329-V331 PolarHBondContact O-N 3.19Å
330	P	86.3	Confident	91.8	Very high	43 Å²	43	26.7 Å²	26.7	28%	0.279	13%	0.129	S	C	.	.	S	Bend	trans	-78.8	60.3	177.6	36.4	-38.3	0	0	0	110.8	I346	P330-I346 HydrophobicContact CB-CG1 4.16Å; P330-I346 VanDerWaalsContact CB-O 3.3Å; P330-I346 WeakPolarHBondContact CB-O 3.46Å; P330-I346 WeakPolarHBondContact CG-O 3.43Å; P330-I346 WeakPolarHBondContact O-CG1 3.48Å; P330-I346 PolarHBondContact O-N 3.1Å
331	V	89.8	Confident	91.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.8	179.5	176.6	0	0	0	0	109.4	L45 F64 F325 H326 E329 M343	L45-V331 HydrophobicContact CD1-CB 4.26Å; L45-V331 HydrophobicContact CD1-CG1 3.8Å; L45-V331 HydrophobicContact CD1-CG2 3.42Å; L45-V331 VanDerWaalsContact CD1-CG2 3.42Å; L45-V331 HydrophobicContact CG-CG2 4.32Å; F64-V331 HydrophobicContact CZ-CG1 4.34Å; F325-V331 WeakPolarHBondContact CA-O 3.46Å; H326-V331 HydrophobicContact CB-CB 3.7Å; H326-V331 HydrophobicContact CB-CG1 4.46Å; H326-V331 WeakPolarHBondContact CB-O 3.29Å; H326-V331 PolarHBondContact N-O 2.8Å; E329-V331 HydrophobicContact CB-CG2 3.93Å; E329-V331 PolarHBondContact O-N 3.19Å; V331-M343 HydrophobicContact CG1-CG 3.27Å; V331-M343 HydrophobicContact CG1-SD 3.84Å
332	V	91.8	Very high	91.6	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.5	176.6	-179.7	0	0	0	0	109.2	V299 I301 V323 V324 F325 M343 G344 I346	V299-V332 HydrophobicContact CG1-CG1 4.5Å; I301-V332 HydrophobicContact CD1-CG1 4.38Å; I301-V332 HydrophobicContact CD1-CG2 3.85Å; V323-V332 HydrophobicContact CG1-CG1 3.4Å; V324-V332 WeakPolarHBondContact O-CA 3.49Å; F325-V332 HydrophobicContact CD1-CG2 3.59Å; F325-V332 HydrophobicContact CE1-CG2 3.54Å; V332-M343 CarbonylContact O-C 3.57Å; V332-M343 WeakPolarHBondContact O-CA 3.29Å; V332-G344 PolarHBondContact N-O 2.93Å; V332-G344 PolarHBondContact O-N 2.86Å; V332-I346 HydrophobicContact CB-CG2 4.42Å; V332-I346 HydrophobicContact CG2-CB 4.47Å; V332-I346 HydrophobicContact CG2-CD1 3.58Å; V332-I346 HydrophobicContact CG2-CG1 3.85Å; V332-I346 HydrophobicContact CG2-CG2 3.78Å
333	L	93.2	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.4	170.3	178.1	78.4	0	0	0	109.5	M52 C62 F64 L71 V323 V324 L341 Y342 M343	M52-L333 HydrophobicContact CE-CD1 3.47Å; M52-L333 VanDerWaalsContact CE-CD1 3.47Å; C62-L333 HydrophobicContact CB-CD2 3.47Å; C62-L333 VanDerWaalsContact CB-CD2 3.47Å; C62-L333 HydrophobicContact CB-CG 4.27Å; C62-L333 VanDerWaalsContact SG-CD2 3.55Å; F64-L333 HydrophobicContact CD2-CB 4.5Å; F64-L333 HydrophobicContact CE2-CB 3.48Å; F64-L333 VanDerWaalsContact CE2-CB 3.48Å; F64-L333 HydrophobicContact CE2-CD2 4.2Å; F64-L333 HydrophobicContact CE2-CG 4.5Å; F64-L333 HydrophobicContact CZ-CB 3.66Å; F64-L333 HydrophobicContact CZ-CD2 4.39Å; L71-L333 HydrophobicContact CD1-CD1 4.38Å; L71-L333 HydrophobicContact CD1-CD2 3.17Å; L71-L333 HydrophobicContact CD1-CG 4.31Å; L71-L333 HydrophobicContact CD2-CD1 3.74Å; L71-L333 HydrophobicContact CD2-CD2 3.79Å; L71-L333 HydrophobicContact CD2-CG 4.41Å; L71-L333 HydrophobicContact CG-CD2 3.97Å; V323-L333 CarbonylContact C-O 3.48Å; V323-L333 VanDerWaalsContact CA-O 3.25Å; V323-L333 WeakPolarHBondContact CA-O 3.48Å; V323-L333 WeakPolarHBondContact CG1-O 3.1Å; V324-L333 PolarHBondContact N-O 3.2Å; V324-L333 PolarHBondContact O-N 2.83Å; L333-L341 HydrophobicContact CD1-CB 4.24Å; L333-Y342 CarbonylContact C-O 3.5Å; L333-Y342 WeakPolarHBondContact CA-O 3.28Å; L333-M343 HydrophobicContact CD1-CB 4.46Å; L333-M343 HydrophobicContact CD1-CE 4.22Å
334	S	93.5	Very high	91.1	Very high	8 Å²	8	29.5 Å²	29.5	6%	0.056	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.2	173.5	55	0	0	0	0	111.2	V299 H316 E322 L341 Y342	V299-S334 VanDerWaalsContact CG2-CB 3.44Å; H316-S334 PolarHBondContact CE1-O 2.78Å; H316-S334 WeakPolarHBondContact NE2-CB 3.41Å; H316-S334 PolarHBondContact NE2-OG 3.06Å; E322-S334 WeakPolarHBondContact O-CA 3.34Å; S334-L341 VanDerWaalsContact O-CA 3.3Å; S334-L341 WeakPolarHBondContact O-CA 3.49Å; S334-Y342 PolarHBondContact N-O 3.11Å; S334-Y342 PolarHBondContact O-N 3.47Å
335	G	93.1	Very high	90.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.3	175.9	0	0	0	0	0	111.7	V320 N321 E322	V320-G335 CarbonylContact C-O 3.54Å; N321-G335 PolarHBondContact N-O 3.05Å; E322-G335 PolarHBondContact N-O 2.93Å; E322-G335 PolarHBondContact O-N 2.82Å
336	S	94.1	Very high	90	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	164	-167.8	147.4	0	0	0	0	111.9	V59 H316 G318 S319 D338 K339	V59-S336 PolarHBondContact N-O 3.14Å; V59-S336 VanDerWaalsContact N-O 3.15Å; H316-S336 VanDerWaalsContact CE1-CB 3.43Å; H316-S336 WeakPolarHBondContact CE1-CB 3.43Å; H316-S336 WeakPolarHBondContact ND1-CB 3.34Å; H316-S336 PolarHBondContact ND1-OG 3.15Å; G318-S336 PolarHBondContact O-OG 3.28Å; S319-S336 CarbonylContact O-C 3.57Å; S319-S336 WeakPolarHBondContact O-CA 3.36Å; S319-S336 WeakPolarHBondContact O-CB 3.49Å; S319-S336 PolarHBondContact O-OG 3.32Å; S336-D338 WeakPolarHBondContact CB-OD1 3.46Å; S336-D338 PolarHBondContact O-N 2.97Å; S336-D338 PolarHBondContact OG-N 3.24Å; S336-D338 VanDerWaalsContact OG-N 3.12Å; S336-D338 PolarHBondContact OG-OD1 3.01Å; S336-K339 PolarHBondContact O-N 2.95Å
337	S	92.5	Very high	88.8	Confident	20 Å²	20	36.1 Å²	36.1	14%	0.14	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.1	175	-63	0	0	0	0	113.8	E58 S319 N321 K339	E58-S337 VanDerWaalsContact OE2-CB 3.31Å; E58-S337 WeakPolarHBondContact OE2-CB 3.41Å; E58-S337 PolarHBondContact OE2-OG 3.09Å; S319-S337 PolarHBondContact O-N 3.2Å; S319-S337 PolarHBondContact OG-OG 3.15Å; S319-S337 VanDerWaalsContact OG-OG 3.07Å; N321-S337 PolarHBondContact ND2-OG 2.88Å; N321-S337 VanDerWaalsContact ND2-OG 3.14Å; S337-K339 PolarHBondContact O-N 3.32Å
338	D	91.9	Very high	88.8	Confident	22 Å²	22	36.3 Å²	36.3	12%	0.118	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	10	170.5	68.6	-13.6	0	0	0	114.7	H316 A317 S336 R340	H316-D338 VanDerWaalsContact CA-OD2 3.31Å; H316-D338 WeakPolarHBondContact CA-OD2 3.44Å; H316-D338 IonicContact CG-OD2 3.94Å; H316-D338 IonicContact ND1-OD1 3.12Å; H316-D338 PolarHBondContact ND1-OD1 2.97Å; H316-D338 IonicContact ND1-OD2 3.27Å; H316-D338 PolarHBondContact ND1-OD2 3.24Å; A317-D338 HydrophobicContact CB-CB 3.9Å; A317-D338 PolarHBondContact N-OD2 2.93Å; S336-D338 WeakPolarHBondContact CB-OD1 3.46Å; S336-D338 PolarHBondContact O-N 2.97Å; S336-D338 PolarHBondContact OG-N 3.24Å; S336-D338 VanDerWaalsContact OG-N 3.12Å; S336-D338 PolarHBondContact OG-OD1 3.01Å; D338-R340 WeakPolarHBondContact O-CG 3.15Å; D338-R340 PolarHBondContact O-N 2.84Å; D338-R340 VanDerWaalsContact O-N 3.15Å; D338-R340 PolarHBondContact OD1-N 3.27Å
339	K	92.4	Very high	89	Confident	100 Å²	100	30.4 Å²	30.4	44%	0.435	15%	0.146	S	C	.	.	S	Bend	trans	65.3	12.4	175.9	-34.8	174.7	-176.2	-160.2	0	113.8	H55 E56 G57 S336 S337	H55-K339 HydrophobicContact CB-CB 4.37Å; E56-K339 WeakPolarHBondContact O-CD 3.48Å; E56-K339 WeakPolarHBondContact O-CE 3.43Å; E56-K339 PolarHBondContact O-NZ 3.08Å; G57-K339 WeakPolarHBondContact O-CA 3.36Å; G57-K339 VanDerWaalsContact O-CB 3.31Å; G57-K339 WeakPolarHBondContact O-CB 3.18Å; G57-K339 WeakPolarHBondContact O-CG 3.36Å; S336-K339 PolarHBondContact O-N 2.95Å; S337-K339 PolarHBondContact O-N 3.32Å
340	R	91.7	Very high	89.1	Confident	117 Å²	117	30.2 Å²	30.2	44%	0.442	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.2	-175	-69.6	169.4	-173	-167.4	3.4	108.7	L51 D338	L51-R340 HydrophobicContact CD1-CB 3.83Å; L51-R340 HydrophobicContact CD1-CG 3.99Å; D338-R340 WeakPolarHBondContact O-CG 3.15Å; D338-R340 PolarHBondContact O-N 2.84Å; D338-R340 VanDerWaalsContact O-N 3.15Å; D338-R340 PolarHBondContact OD1-N 3.27Å
341	L	92.6	Very high	89.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.5	167.5	-61.5	164.7	0	0	0	107.6	M52 V59 C62 L71 W83 L333 S334	M52-L341 HydrophobicContact CB-CB 4.16Å; M52-L341 HydrophobicContact CB-CD1 4.5Å; M52-L341 HydrophobicContact CE-CB 3.6Å; M52-L341 HydrophobicContact CE-CD1 4.01Å; M52-L341 HydrophobicContact CE-CG 4.45Å; M52-L341 PolarHBondContact N-O 2.95Å; M52-L341 PolarHBondContact O-N 3.42Å; V59-L341 HydrophobicContact CB-CD2 4.4Å; V59-L341 HydrophobicContact CG1-CD2 3.77Å; V59-L341 HydrophobicContact CG2-CD2 4.39Å; C62-L341 HydrophobicContact CB-CD2 4.03Å; L71-L341 HydrophobicContact CD2-CD1 4.38Å; W83-L341 HydrophobicContact CZ2-CD1 4.46Å; L333-L341 HydrophobicContact CD1-CB 4.24Å; S334-L341 VanDerWaalsContact O-CA 3.3Å; S334-L341 WeakPolarHBondContact O-CA 3.49Å
342	Y	92.5	Very high	89.2	Confident	46 Å²	46	31.3 Å²	31.3	18%	0.18	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.5	165.8	-71	-78.6	0	0	0	109.3	I49 M50 L51 G315 H316 L333 S334	I49-Y342 HydrophobicContact CG2-CD1 3.95Å; M50-Y342 WeakPolarHBondContact O-CA 3.06Å; L51-Y342 HydrophobicContact CB-CD1 4.37Å; L51-Y342 HydrophobicContact CB-CE1 4.2Å; L51-Y342 HydrophobicContact CD1-CD1 3.88Å; L51-Y342 HydrophobicContact CD1-CE1 3.42Å; L51-Y342 VanDerWaalsContact CD1-CE1 3.42Å; L51-Y342 HydrophobicContact CD1-CE2 4.27Å; L51-Y342 HydrophobicContact CD1-CG 4.49Å; L51-Y342 HydrophobicContact CG-CE1 4.33Å; G315-Y342 VanDerWaalsContact O-CE2 3.28Å; G315-Y342 WeakPolarHBondContact O-CE2 3.25Å; G315-Y342 PolarHBondContact O-OH 3.31Å; H316-Y342 AromaticContact CD2-CD2 3.97Å; H316-Y342 AromaticContact CE1-CD2 3.35Å; H316-Y342 WeakPolarHBondContact CE1-CD2 3.38Å; H316-Y342 AromaticContact CE1-CE2 3.97Å; H316-Y342 AromaticContact CG-CD2 3.96Å; H316-Y342 AromaticContact ND1-CD2 3.52Å; H316-Y342 AromaticContact ND1-CE2 3.66Å; H316-Y342 AromaticContact NE2-CD2 3.6Å; L333-Y342 CarbonylContact C-O 3.5Å; L333-Y342 WeakPolarHBondContact CA-O 3.28Å; S334-Y342 PolarHBondContact N-O 3.11Å; S334-Y342 PolarHBondContact O-N 3.47Å
343	M	90.3	Very high	89.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.4	168.8	-169.7	-179.7	-62.1	0	0	107.4	L45 I49 M50 M52 F64 L71 V85 V331 V332 L333	L45-M343 HydrophobicContact CD1-CG 4.49Å; L45-M343 HydrophobicContact CD2-CG 4.5Å; L45-M343 HydrophobicContact CD2-SD 3.7Å; I49-M343 CarbonylContact C-O 3.59Å; I49-M343 WeakPolarHBondContact CA-O 3.33Å; M50-M343 HydrophobicContact CB-CB 4.28Å; M50-M343 PolarHBondContact N-O 3.15Å; M50-M343 PolarHBondContact O-N 2.84Å; M52-M343 HydrophobicContact CE-CB 4.32Å; M52-M343 HydrophobicContact CE-CE 3.81Å; M52-M343 HydrophobicContact SD-CE 4.25Å; F64-M343 HydrophobicContact CE1-CE 3.9Å; F64-M343 HydrophobicContact CZ-CE 4.09Å; L71-M343 HydrophobicContact CD2-CE 4.47Å; V85-M343 HydrophobicContact CG1-CE 4.19Å; V85-M343 HydrophobicContact CG1-SD 3.85Å; V85-M343 HydrophobicContact CG2-CE 4.22Å; V331-M343 HydrophobicContact CG1-CG 3.27Å; V331-M343 HydrophobicContact CG1-SD 3.84Å; V332-M343 CarbonylContact O-C 3.57Å; V332-M343 WeakPolarHBondContact O-CA 3.29Å; L333-M343 HydrophobicContact CD1-CB 4.46Å; L333-M343 HydrophobicContact CD1-CE 4.22Å
344	G	87.2	Confident	88.8	Confident	14 Å²	14	35.6 Å²	35.6	14%	0.144	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.3	-177.4	0	0	0	0	0	111	V332	V332-G344 PolarHBondContact N-O 2.93Å; V332-G344 PolarHBondContact O-N 2.86Å
345	E	84.5	Confident	88.4	Confident	35 Å²	35	37.7 Å²	37.7	16%	0.164	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.4	168.5	-174.2	179	178.7	0	0	109.5	T42 S43 L45 P48	T42-E345 WeakPolarHBondContact CA-OE1 3.28Å; T42-E345 PolarHBondContact N-OE1 2.97Å; T42-E345 PolarHBondContact OG1-OE1 2.71Å; S43-E345 WeakPolarHBondContact CB-OE1 3.45Å; S43-E345 PolarHBondContact N-OE1 3.08Å; S43-E345 PolarHBondContact OG-OE1 3.46Å; S43-E345 PolarHBondContact OG-OE2 3.05Å; L45-E345 HydrophobicContact CD1-CB 4.38Å; P48-E345 PolarHBondContact O-N 2.67Å
346	I	81.1	Confident	88	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.036	19%	0.188	C	C	.	.			trans	-112.7	154.8	172	61.3	163.4	0	0	0	109.7	K289 I301 Y311 F325 P330 V332	K289-I346 HydrophobicContact CD-CD1 3.93Å; I301-I346 HydrophobicContact CD1-CD1 4.31Å; I301-I346 HydrophobicContact CD1-CG2 4.17Å; Y311-I346 HydrophobicContact CE2-CB 4.38Å; F325-I346 HydrophobicContact CD1-CD1 4.18Å; F325-I346 HydrophobicContact CE1-CD1 3.71Å; P330-I346 HydrophobicContact CB-CG1 4.16Å; P330-I346 VanDerWaalsContact CB-O 3.3Å; P330-I346 WeakPolarHBondContact CB-O 3.46Å; P330-I346 WeakPolarHBondContact CG-O 3.43Å; P330-I346 WeakPolarHBondContact O-CG1 3.48Å; P330-I346 PolarHBondContact O-N 3.1Å; V332-I346 HydrophobicContact CB-CG2 4.42Å; V332-I346 HydrophobicContact CG2-CB 4.47Å; V332-I346 HydrophobicContact CG2-CD1 3.58Å; V332-I346 HydrophobicContact CG2-CG1 3.85Å; V332-I346 HydrophobicContact CG2-CG2 3.78Å
347	Q	65.3	Low	87.4	Confident	129 Å²	129	44.5 Å²	44.5	60%	0.603	21%	0.206	S	C	*	.			trans	-98.5	0	173.4	-72.7	-175.8	-26.4	0	0	111.6	P40 K289 Y311	P40-Q347 PolarHBondContact O-NE2 3.5Å; K289-Q347 PolarHBondContact NZ-O 3.43Å; Y311-Q347 PolarHBondContact OH-O 3.25Å; Y311-Q347 VanDerWaalsContact OH-O 3.07Å

Retrieved 347 of 347 residues in 424.5 ms (Link to these results)

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