A0A060VNA7_ONCMY Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A060VNA7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 550 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	32.5	Very low	226 Å²	226	143.5 Å²	143.5	100%	1.113	82%	0.818	S	S	*	*				0	105.8	0	-78	174.8	173.4	0	0	107.2
2	L	30.3	Very low	32.7	Very low	146 Å²	146	151.8 Å²	151.8	76%	0.764	83%	0.827	S	S	*	*				74.1	132.4	112.3	-69.3	160.1	0	0	0	111.9
3	N	28.3	Very low	32.3	Very low	135 Å²	135	150.9 Å²	150.9	72%	0.722	82%	0.82	S	S	*	*			cis	-169.2	134	3.5	-127.5	-4	0	0	0	105.1
4	A	34.9	Very low	32.3	Very low	95 Å²	95	153.1 Å²	153.1	79%	0.785	82%	0.818	S	S	*	*				45.3	128.7	99.2	0	0	0	0	0	116.9
5	G	28.4	Very low	32.5	Very low	83 Å²	83	152.8 Å²	152.8	86%	0.856	82%	0.815	S	S	*	*			trans	171.5	68.4	166	0	0	0	0	0	118.1
6	S	35.2	Very low	32.9	Very low	106 Å²	106	154.9 Å²	154.9	74%	0.741	83%	0.825	S	S	*	*			trans	-65.4	146.2	162.5	143.6	0	0	0	0	111.8
7	R	30.5	Very low	33.4	Very low	254 Å²	254	151.4 Å²	151.4	96%	0.958	82%	0.815	S	S	*	*			trans	-158.8	142	142.9	-108	169.5	-165	-158.3	4	112.9
8	R	30.8	Very low	33.6	Very low	219 Å²	219	149.4 Å²	149.4	83%	0.826	82%	0.815	S	S	*	*			trans	-107.7	149.2	-163.4	-96.1	-175.8	-178.8	-179.2	0.4	111.8
9	V	37.7	Very low	33.9	Very low	122 Å²	122	150.5 Å²	150.5	74%	0.739	82%	0.819	S	S	*	*			trans	66.8	144.6	131.8	-178.5	0	0	0	0	116.2
10	P	38.4	Very low	34.2	Very low	127 Å²	127	148.8 Å²	148.8	83%	0.825	82%	0.818	S	S	*	*			cis	-137.7	178.8	41.2	30	-4.5	0	0	0	114.9
11	G	28.3	Very low	34.4	Very low	65 Å²	65	149.8 Å²	149.8	67%	0.67	82%	0.821	S	S	*	*			cis	-169.5	159.1	13.3	0	0	0	0	0	110.6
12	W	34.5	Very low	34.5	Very low	243 Å²	243	147.6 Å²	147.6	92%	0.92	81%	0.813	S	S	*	*			trans	-56.5	147.8	177.5	-63.6	9.2	0	0	0	111.9
13	L	28	Very low	35.2	Very low	141 Å²	141	148.5 Å²	148.5	74%	0.738	82%	0.818	S	S	*	*				179.6	122.5	121.2	-96.4	129.2	0	0	0	110.8
14	K	31.9	Very low	35.8	Very low	181 Å²	181	147.6 Å²	147.6	79%	0.787	82%	0.82	S	S	*	*			trans	78.2	128.9	148	-58.7	164.8	168.4	170.2	0	114.5
15	L	35.8	Very low	36.2	Very low	149 Å²	149	151.2 Å²	151.2	78%	0.78	83%	0.826	S	S	*	*			cis	-147.4	124.7	23.2	-81.3	98	0	0	0	110.9
16	L	38.8	Very low	36.9	Very low	187 Å²	187	154.3 Å²	154.3	98%	0.979	83%	0.828	S	S	*	*			trans	-87	101.2	150.4	-95	146.6	0	0	0	106.9
17	S	40.8	Very low	36.9	Very low	94 Å²	94	152.3 Å²	152.3	66%	0.657	82%	0.824	S	S	*	*			trans	-172.3	60.8	162.7	66.5	0	0	0	0	114.5
18	S	37.8	Very low	37.4	Very low	116 Å²	116	149 Å²	149	81%	0.811	82%	0.819	S	S	*	*	S	Bend	trans	-153.3	20.2	161.1	89	0	0	0	0	116.7
19	L	40	Very low	37.7	Very low	170 Å²	170	144.8 Å²	144.8	89%	0.89	82%	0.818	S	S	*	*	S	Bend	trans	-129	61	-177.2	-140.8	90.6	0	0	0	112.3
20	C	38.5	Very low	37.9	Very low	117 Å²	117	142.7 Å²	142.7	79%	0.791	82%	0.821	S	S	*	*	S	Bend	trans	-159.4	10.7	167.7	-116.6	0	0	0	0	118.3
21	L	38.7	Very low	38	Very low	169 Å²	169	141.1 Å²	141.1	89%	0.885	82%	0.819	S	S	*	*	S	Bend	trans	-142.1	82.9	172.3	-95.3	109.3	0	0	0	111.5
22	L	37.5	Very low	38.9	Very low	180 Å²	180	147.4 Å²	147.4	94%	0.942	83%	0.828	S	S	*	*			trans	-161.1	39.8	153.8	-104.7	140.1	0	0	0	109.8
23	L	45	Very low	39.6	Very low	165 Å²	165	147.6 Å²	147.6	86%	0.864	83%	0.828	S	S	*	*			trans	-88.1	99.2	159.5	-93.2	147.6	0	0	0	106.7
24	C	40.9	Very low	40.7	Very low	116 Å²	116	146.6 Å²	146.6	78%	0.784	83%	0.828	S	S	*	*	S	Bend	trans	157.8	126.5	143.5	-86.2	0	0	0	0	110
25	L	43.7	Very low	41.9	Very low	171 Å²	171	143.4 Å²	143.4	90%	0.895	83%	0.825	S	S	*	*			trans	87.8	79.3	165.4	-53.6	165.3	0	0	0	117.7
26	V	41.3	Very low	43.1	Very low	149 Å²	149	146 Å²	146	90%	0.903	83%	0.83	S	S	*	*				-168.4	123.6	118.1	-171.7	0	0	0	0	104
27	G	36.1	Very low	44.4	Very low	64 Å²	64	143 Å²	143	66%	0.66	81%	0.814	S	S	*	*			cis	108.3	78.9	34	0	0	0	0	0	110.1
28	E	40	Very low	46.1	Very low	184 Å²	184	141.1 Å²	141.1	86%	0.86	80%	0.8	S	S	*	*			trans	46.9	128.8	156.8	-59.8	-176.9	161.9	0	0	120.2
29	T	37.6	Very low	48.3	Very low	131 Å²	131	145.7 Å²	145.7	80%	0.804	80%	0.799	S	S	*	*				-163.4	91.5	69.6	38	0	0	0	0	110.4	A31	T29-A31 VanDerWaalsContact C-N 3.32Å; T29-A31 PolarHBondContact O-N 3.16Å
30	G	42.3	Very low	50.8	Low	78 Å²	78	140 Å²	140	80%	0.804	77%	0.773	S	S	*	*			trans	-74.7	88.6	160.5	0	0	0	0	0	108.7	K32	G30-K32 VanDerWaalsContact C-N 3.3Å; G30-K32 PolarHBondContact O-N 2.92Å
31	A	41.2	Very low	53.3	Low	93 Å²	93	135.3 Å²	135.3	77%	0.769	74%	0.741	S	S	*	*			trans	-61	95.3	169.2	0	0	0	0	0	108.6	T29 R33	T29-A31 VanDerWaalsContact C-N 3.32Å; T29-A31 PolarHBondContact O-N 3.16Å; A31-R33 PolarHBondContact O-N 3.31Å
32	K	46.7	Very low	55.8	Low	198 Å²	198	134.5 Å²	134.5	86%	0.861	74%	0.743	S	S	*	*			trans	-51.4	110.8	160.5	-76.6	-179.8	176.7	177.1	0	105.8	G30 V34	G30-K32 VanDerWaalsContact C-N 3.3Å; G30-K32 PolarHBondContact O-N 2.92Å; K32-V34 PolarHBondContact O-N 2.66Å
33	R	48.8	Very low	58.4	Low	246 Å²	246	128.5 Å²	128.5	93%	0.928	71%	0.714	S	S	*	*			trans	-56.3	105.2	169.9	-86.1	-176.9	176.1	-179.3	0.3	106.6	A31	A31-R33 PolarHBondContact O-N 3.31Å
34	V	52.4	Low	60.8	Low	120 Å²	120	121.5 Å²	121.5	73%	0.727	68%	0.679	S	S	*	*			trans	-52.8	125.9	167.5	-179	0	0	0	0	106.1	K32 K36	K32-V34 PolarHBondContact O-N 2.66Å; V34-K36 PolarHBondContact O-N 3.25Å
35	P	55.5	Low	63.3	Low	114 Å²	114	120 Å²	120	74%	0.74	67%	0.67	S	S	*	*			trans	-55	119.6	174.5	8.1	-11.4	0	0	0	107.3	I37	P35-I37 PolarHBondContact O-N 3.06Å
36	K	62.2	Low	65.8	Low	203 Å²	203	113.5 Å²	113.5	88%	0.883	64%	0.639	S	S	*	*			trans	-58.7	111.4	177.4	-78.1	-176.6	177.6	179	0	106.5	V34 P38	V34-K36 PolarHBondContact O-N 3.25Å; K36-P38 WeakPolarHBondContact O-CD 3.42Å; K36-P38 VanDerWaalsContact O-N 3.11Å
37	I	66.1	Low	68.2	Low	124 Å²	124	109.9 Å²	109.9	64%	0.636	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-54.8	119.9	175.7	-60.5	169.5	0	0	0	106.3	P35 R39 P65	P35-I37 PolarHBondContact O-N 3.06Å; I37-R39 PolarHBondContact O-N 2.95Å; I37-P65 HydrophobicContact CG2-CG 4.32Å
38	P	75.9	Confident	70.7	Confident	55 Å²	55	115.7 Å²	115.7	36%	0.357	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-56.8	129	-179.9	17.9	-27.8	0	0	0	109.2	K36 F63	K36-P38 WeakPolarHBondContact O-CD 3.42Å; K36-P38 VanDerWaalsContact O-N 3.11Å; P38-F63 VanDerWaalsContact CB-O 3.24Å; P38-F63 WeakPolarHBondContact CB-O 3.31Å; P38-F63 WeakPolarHBondContact CG-O 3.1Å
39	R	85.2	Confident	73.3	Confident	212 Å²	212	110.8 Å²	110.8	80%	0.8	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-82.2	152	-174.1	-66.9	-178.4	177.7	176.3	-3.5	109.7	I37 S62	I37-R39 PolarHBondContact O-N 2.95Å; R39-S62 PolarHBondContact N-OG 2.98Å; R39-S62 CarbonylContact O-C 3.51Å; R39-S62 PolarHBondContact O-OG 2.67Å
40	C	90.8	Very high	76.1	Confident	50 Å²	50	106.5 Å²	106.5	34%	0.338	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-59.4	135.9	170.4	-171.8	0	0	0	0	110.2	C44 C46 P64	C40-C44 PolarHBondContact SG-O 3.23Å; C40-C44 VanDerWaalsContact SG-O 3.32Å; C40-C46 HydrophobicContact CB-CB 3.69Å; C40-C46 WeakPolarHBondContact CB-SG 3.19Å; C40-C46 WeakPolarHBondContact SG-CB 3.42Å; C40-C46 PolarHBondContact SG-N 2.91Å; C40-C46 CovalentContact SG-SG 2.04Å; C40-C46 PolarHBondContact SG-SG 3.29Å; C40-P64 HydrophobicContact CB-CG 4.47Å
41	P	92.6	Very high	78.6	Confident	20 Å²	20	102.9 Å²	102.9	13%	0.13	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-60.2	149.9	175.3	-19.1	29.8	0	0	0	111.9	T43 C44 P60 S62 F63	P41-T43 PolarHBondContact O-N 2.84Å; P41-C44 HydrophobicContact CB-CB 4.12Å; P41-C44 HydrophobicContact CG-CB 4.2Å; P41-C44 PolarHBondContact O-N 3.49Å; P41-C44 VanDerWaalsContact O-O 3.09Å; P41-P60 HydrophobicContact CB-CB 3.79Å; P41-P60 HydrophobicContact CB-CG 4.04Å; P41-P60 HydrophobicContact CG-CB 3.4Å; P41-P60 VanDerWaalsContact CG-CB 3.4Å; P41-P60 HydrophobicContact CG-CG 3.94Å; P41-S62 WeakPolarHBondContact CD-O 3.19Å; P41-S62 WeakPolarHBondContact CG-O 3.47Å; P41-F63 HydrophobicContact CG-CD1 4.11Å; P41-F63 HydrophobicContact CG-CE1 3.85Å; P41-F63 HydrophobicContact CG-CZ 4.14Å
42	T	90.4	Very high	81.3	Confident	151 Å²	151	103.3 Å²	103.3	93%	0.926	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.1	-178	53	0	0	0	0	113.9	C44	T42-C44 VanDerWaalsContact C-N 3.31Å
43	T	92.7	Very high	83.6	Confident	54 Å²	54	93.9 Å²	93.9	33%	0.331	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.2	177.9	54.3	0	0	0	0	112.4	P41 C53 V54 T56	P41-T43 PolarHBondContact O-N 2.84Å; T43-C53 WeakPolarHBondContact O-CA 3.22Å; T43-V54 PolarHBondContact O-N 2.83Å; T43-T56 WeakPolarHBondContact OG1-CG2 3.19Å
44	C	94.3	Very high	85.8	Confident	19 Å²	19	84.6 Å²	84.6	13%	0.128	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.2	-176.9	-52.9	0	0	0	0	111.4	C40 P41 T42 F52 C53	C40-C44 PolarHBondContact SG-O 3.23Å; C40-C44 VanDerWaalsContact SG-O 3.32Å; P41-C44 HydrophobicContact CB-CB 4.12Å; P41-C44 HydrophobicContact CG-CB 4.2Å; P41-C44 PolarHBondContact O-N 3.49Å; P41-C44 VanDerWaalsContact O-O 3.09Å; T42-C44 VanDerWaalsContact C-N 3.31Å; C44-F52 CarbonylContact C-O 3.51Å; C44-F52 WeakPolarHBondContact CA-O 3.35Å; C44-C53 HydrophobicContact CB-CB 4.05Å; C44-C53 WeakPolarHBondContact CB-SG 3.2Å; C44-C53 WeakPolarHBondContact SG-CB 3.08Å; C44-C53 CovalentContact SG-SG 2.04Å; C44-C53 PolarHBondContact SG-SG 3.33Å
45	S	94.7	Very high	87.6	Confident	85 Å²	85	83.3 Å²	83.3	59%	0.594	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.1	165.6	-174.7	0	0	0	0	108.2	A51 F52	S45-A51 WeakPolarHBondContact O-CA 3.47Å; S45-F52 PolarHBondContact N-O 3.22Å; S45-F52 PolarHBondContact O-N 2.87Å
46	C	94.4	Very high	89.3	Confident	34 Å²	34	78 Å²	78	23%	0.23	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.5	-176.6	-49.6	0	0	0	0	111.5	C40 S50 P64	C40-C46 HydrophobicContact CB-CB 3.69Å; C40-C46 WeakPolarHBondContact CB-SG 3.19Å; C40-C46 WeakPolarHBondContact SG-CB 3.42Å; C40-C46 PolarHBondContact SG-N 2.91Å; C40-C46 CovalentContact SG-SG 2.04Å; C40-C46 PolarHBondContact SG-SG 3.29Å; C46-S50 CarbonylContact C-O 3.59Å; C46-S50 WeakPolarHBondContact CA-O 3.36Å; C46-P64 HydrophobicContact CB-CG 3.99Å
47	T	92.7	Very high	90.6	Very high	73 Å²	73	76.5 Å²	76.5	45%	0.448	40%	0.403	S	S	.	.			trans	-98.5	-162.4	164.1	72.1	0	0	0	0	109.6	D49 S50	T47-D49 VanDerWaalsContact C-N 3.29Å; T47-D49 PolarHBondContact OG1-N 2.88Å; T47-D49 PolarHBondContact OG1-OD1 3.22Å; T47-S50 PolarHBondContact N-O 3.13Å; T47-S50 PolarHBondContact OG1-N 2.76Å; T47-S50 PolarHBondContact OG1-O 2.8Å; T47-S50 PolarHBondContact OG1-OG 2.91Å
48	K	89.3	Confident	91.8	Very high	185 Å²	185	75.4 Å²	75.4	80%	0.804	40%	0.403	S	S	*	.	S	Bend	trans	-66.5	-31.4	172.6	-176.5	179.9	174.7	-173	0	112.5
49	D	93.6	Very high	92.5	Very high	81 Å²	81	73.9 Å²	73.9	43%	0.433	39%	0.392	S	S	.	.	S	Bend	trans	-133	-13.4	-164.8	61.5	-18.8	0	0	0	113.7	T47 I68 S69	T47-D49 VanDerWaalsContact C-N 3.29Å; T47-D49 PolarHBondContact OG1-N 2.88Å; T47-D49 PolarHBondContact OG1-OD1 3.22Å; D49-I68 HydrophobicContact CB-CD1 4.26Å; D49-I68 HydrophobicContact CB-CG1 4.05Å; D49-I68 WeakPolarHBondContact O-CG1 3.37Å; D49-I68 PolarHBondContact O-N 3.25Å; D49-S69 PolarHBondContact O-N 3.3Å; D49-S69 VanDerWaalsContact O-N 3.07Å
50	S	95.9	Very high	92.8	Very high	41 Å²	41	64.5 Å²	64.5	29%	0.287	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.8	178.9	72.1	0	0	0	0	113.4	C46 T47 I67 S69	C46-S50 CarbonylContact C-O 3.59Å; C46-S50 WeakPolarHBondContact CA-O 3.36Å; T47-S50 PolarHBondContact N-O 3.13Å; T47-S50 PolarHBondContact OG1-N 2.76Å; T47-S50 PolarHBondContact OG1-O 2.8Å; T47-S50 PolarHBondContact OG1-OG 2.91Å; S50-I67 WeakPolarHBondContact O-CD1 3.47Å; S50-S69 CarbonylContact C-O 3.56Å; S50-S69 WeakPolarHBondContact CA-O 3.35Å
51	A	96.3	Very high	92.7	Very high	2 Å²	2	71.2 Å²	71.2	2%	0.017	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.3	173	0	0	0	0	0	110	S45 F63 I67 S69 L70 T71	S45-A51 WeakPolarHBondContact O-CA 3.47Å; A51-F63 HydrophobicContact CB-CD1 3.85Å; A51-F63 HydrophobicContact CB-CE1 3.79Å; A51-I67 HydrophobicContact CB-CD1 4.29Å; A51-I67 HydrophobicContact CB-CG2 4.29Å; A51-S69 PolarHBondContact N-O 2.79Å; A51-L70 HydrophobicContact CB-CD1 3.87Å; A51-L70 WeakPolarHBondContact O-CA 3.25Å; A51-T71 PolarHBondContact O-N 2.97Å
52	F	96.6	Very high	92.4	Very high	102 Å²	102	72.7 Å²	72.7	45%	0.447	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.3	177.4	-177.2	-95.6	0	0	0	109.4	C44 S45 V54 T71 V73	C44-F52 CarbonylContact C-O 3.51Å; C44-F52 WeakPolarHBondContact CA-O 3.35Å; S45-F52 PolarHBondContact N-O 3.22Å; S45-F52 PolarHBondContact O-N 2.87Å; F52-V54 HydrophobicContact CD1-CG2 3.83Å; F52-V54 HydrophobicContact CE1-CG2 3.18Å; F52-V54 HydrophobicContact CZ-CG2 3.84Å; F52-T71 HydrophobicContact CD2-CG2 3.59Å; F52-T71 HydrophobicContact CE2-CG2 3.57Å; F52-V73 HydrophobicContact CE2-CG2 4.3Å; F52-V73 HydrophobicContact CZ-CG2 4.39Å
53	C	95.4	Very high	92.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.3	-172.9	-62.4	0	0	0	0	111.3	T43 C44 T56 T71 M72 V73	T43-C53 WeakPolarHBondContact O-CA 3.22Å; C44-C53 HydrophobicContact CB-CB 4.05Å; C44-C53 WeakPolarHBondContact CB-SG 3.2Å; C44-C53 WeakPolarHBondContact SG-CB 3.08Å; C44-C53 CovalentContact SG-SG 2.04Å; C44-C53 PolarHBondContact SG-SG 3.33Å; C53-T56 HydrophobicContact CB-CG2 3.63Å; C53-T71 PolarHBondContact N-O 2.84Å; C53-M72 HydrophobicContact CB-CG 4.15Å; C53-M72 WeakPolarHBondContact O-CA 3.21Å; C53-V73 PolarHBondContact O-N 2.94Å
54	V	94.3	Very high	92.2	Very high	52 Å²	52	64.6 Å²	64.6	32%	0.315	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.4	179.2	-171	0	0	0	0	109.4	T43 F52 T56 V73	T43-V54 PolarHBondContact O-N 2.83Å; F52-V54 HydrophobicContact CD1-CG2 3.83Å; F52-V54 HydrophobicContact CE1-CG2 3.18Å; F52-V54 HydrophobicContact CZ-CG2 3.84Å; V54-T56 PolarHBondContact O-N 2.92Å; V54-V73 WeakPolarHBondContact CA-O 3.4Å
55	D	90.9	Very high	91.6	Very high	93 Å²	93	68 Å²	68	50%	0.497	36%	0.364	S	S	.	.	S	Bend	trans	57.3	33.9	175.1	-57.8	-32.5	0	0	0	113.6	V73 N74	D55-V73 PolarHBondContact N-O 2.71Å; D55-N74 VanDerWaalsContact CA-O 3.32Å; D55-N74 WeakPolarHBondContact CA-O 3.38Å; D55-N74 PolarHBondContact N-O 2.91Å; D55-N74 PolarHBondContact OD1-ND2 3.36Å
56	T	91	Very high	91.2	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.006	35%	0.352	C	S	.	.			trans	-75.8	128.4	-178.2	66.9	0	0	0	0	111.5	T43 C53 V54 M72 A75 A76	T43-T56 WeakPolarHBondContact OG1-CG2 3.19Å; C53-T56 HydrophobicContact CB-CG2 3.63Å; V54-T56 PolarHBondContact O-N 2.92Å; T56-M72 HydrophobicContact CG2-CE 4.35Å; T56-M72 VanDerWaalsContact OG1-CE 3.29Å; T56-M72 WeakPolarHBondContact OG1-CE 3.42Å; T56-A75 WeakPolarHBondContact O-CA 3.17Å; T56-A76 PolarHBondContact O-N 3.24Å
57	K	90.6	Very high	91.2	Very high	172 Å²	172	64.1 Å²	64.1	75%	0.748	34%	0.342	S	S	*	.	S	Bend	trans	-77.4	-27.8	177.3	-65.3	-174.2	-179.6	-177.6	0	113.6
58	T	90.8	Very high	91.4	Very high	101 Å²	101	63.3 Å²	63.3	62%	0.62	34%	0.335	S	S	*	.	S	Bend	trans	-151.8	156.9	-179.2	54.5	0	0	0	0	108.5	P60	T58-P60 WeakPolarHBondContact O-CD 3.42Å; T58-P60 VanDerWaalsContact O-N 3.16Å
59	I	91.2	Very high	91.8	Very high	24 Å²	24	56 Å²	56	12%	0.123	31%	0.307	C	S	.	.			trans	-61.2	115.7	175.2	-56.4	180	0	0	0	109.2	F77 I80 P81 A84 F85	I59-F77 HydrophobicContact CD1-CE2 3.97Å; I59-F77 HydrophobicContact CD1-CZ 4.07Å; I59-F77 HydrophobicContact CG1-CE1 4Å; I59-F77 HydrophobicContact CG1-CE2 3.69Å; I59-F77 HydrophobicContact CG1-CZ 3.35Å; I59-I80 HydrophobicContact CD1-CG2 4.33Å; I59-P81 HydrophobicContact CD1-CG 4.42Å; I59-A84 HydrophobicContact CD1-CB 3.48Å; I59-A84 VanDerWaalsContact CD1-CB 3.48Å; I59-F85 HydrophobicContact CD1-CZ 4.14Å; I59-F85 HydrophobicContact CG2-CD1 4.22Å; I59-F85 HydrophobicContact CG2-CE1 3.88Å; I59-F85 HydrophobicContact CG2-CZ 4.49Å
60	P	90.9	Very high	92	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.091	29%	0.286	C	S	.	.			trans	-63.7	143	-178.8	-20.3	32.4	0	0	0	111.4	P41 T58 F63 H87	P41-P60 HydrophobicContact CB-CB 3.79Å; P41-P60 HydrophobicContact CB-CG 4.04Å; P41-P60 HydrophobicContact CG-CB 3.4Å; P41-P60 VanDerWaalsContact CG-CB 3.4Å; P41-P60 HydrophobicContact CG-CG 3.94Å; T58-P60 WeakPolarHBondContact O-CD 3.42Å; T58-P60 VanDerWaalsContact O-N 3.16Å; P60-F63 HydrophobicContact CB-CE2 3.85Å; P60-F63 HydrophobicContact CB-CZ 3.84Å; P60-F63 HydrophobicContact CG-CE2 4.44Å; P60-F63 HydrophobicContact CG-CZ 4.01Å; P60-F63 VanDerWaalsContact O-CE2 3.26Å; P60-F63 WeakPolarHBondContact O-CE2 3.38Å; P60-H87 PolarHBondContact O-CE1 2.87Å; P60-H87 PolarHBondContact O-NE2 2.83Å
61	K	87.8	Confident	92.1	Very high	191 Å²	191	51.2 Å²	51.2	83%	0.83	28%	0.279	S	S	*	.	S	Bend	trans	-102	-6.7	179.7	-62.1	-172.9	178.5	-175.1	0	114.1
62	S	87.4	Confident	92	Very high	51 Å²	51	51.1 Å²	51.1	36%	0.357	28%	0.278	S	S	.	.			trans	-120.1	106.6	-176.1	172.5	0	0	0	0	109	R39 P41	R39-S62 PolarHBondContact N-OG 2.98Å; R39-S62 CarbonylContact O-C 3.51Å; R39-S62 PolarHBondContact O-OG 2.67Å; P41-S62 WeakPolarHBondContact CD-O 3.19Å; P41-S62 WeakPolarHBondContact CG-O 3.47Å
63	F	90.6	Very high	92	Very high	9 Å²	9	48 Å²	48	4%	0.039	27%	0.267	C	S	.	.			trans	-125.1	153.2	171.3	-72.2	-85.5	0	0	0	109.9	P38 P41 A51 P60 I67 L70 H87 L88	P38-F63 VanDerWaalsContact CB-O 3.24Å; P38-F63 WeakPolarHBondContact CB-O 3.31Å; P38-F63 WeakPolarHBondContact CG-O 3.1Å; P41-F63 HydrophobicContact CG-CD1 4.11Å; P41-F63 HydrophobicContact CG-CE1 3.85Å; P41-F63 HydrophobicContact CG-CZ 4.14Å; A51-F63 HydrophobicContact CB-CD1 3.85Å; A51-F63 HydrophobicContact CB-CE1 3.79Å; P60-F63 HydrophobicContact CB-CE2 3.85Å; P60-F63 HydrophobicContact CB-CZ 3.84Å; P60-F63 HydrophobicContact CG-CE2 4.44Å; P60-F63 HydrophobicContact CG-CZ 4.01Å; P60-F63 VanDerWaalsContact O-CE2 3.26Å; P60-F63 WeakPolarHBondContact O-CE2 3.38Å; F63-I67 HydrophobicContact CB-CG1 4.2Å; F63-L70 HydrophobicContact CE1-CD1 3.94Å; F63-L70 HydrophobicContact CZ-CD1 3.98Å; F63-L70 HydrophobicContact CZ-CD2 4.45Å; F63-H87 AromaticContact CD2-NE2 3.43Å; F63-H87 WeakPolarHBondContact CD2-NE2 3.33Å; F63-H87 AromaticContact CE2-NE2 3.77Å; F63-L88 HydrophobicContact CB-CD2 3.91Å; F63-L88 HydrophobicContact CD2-CD1 4.12Å; F63-L88 HydrophobicContact CD2-CD2 3.91Å; F63-L88 HydrophobicContact CD2-CG 4.43Å; F63-L88 HydrophobicContact CE2-CD1 4.18Å; F63-L88 HydrophobicContact CG-CD2 4.12Å
64	P	88.4	Confident	91.8	Very high	26 Å²	26	52.4 Å²	52.4	17%	0.169	29%	0.291	C	S	.	.			trans	-51.6	146.4	171	-25.3	35.2	0	0	0	111.9	C40 C46 G66 I67	C40-P64 HydrophobicContact CB-CG 4.47Å; C46-P64 HydrophobicContact CB-CG 3.99Å; P64-G66 PolarHBondContact O-N 2.77Å; P64-I67 WeakPolarHBondContact O-CG1 3.46Å
65	P	80.8	Confident	91.7	Very high	92 Å²	92	50 Å²	50	60%	0.597	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	132.1	176	28.9	-32.1	0	0	0	109.5	I37	I37-P65 HydrophobicContact CG2-CG 4.32Å
66	G	86.6	Confident	91.6	Very high	33 Å²	33	49.2 Å²	49.2	34%	0.34	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	9.4	175.9	0	0	0	0	0	116.2	P64 I68	P64-G66 PolarHBondContact O-N 2.77Å; G66-I68 PolarHBondContact O-N 2.85Å
67	I	94.6	Very high	91.7	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	29%	0.288	C	S	.	.			trans	-61.3	123.3	169.4	-61.6	-59	0	0	0	109.9	S50 A51 F63 P64 S69 L91	S50-I67 WeakPolarHBondContact O-CD1 3.47Å; A51-I67 HydrophobicContact CB-CD1 4.29Å; A51-I67 HydrophobicContact CB-CG2 4.29Å; F63-I67 HydrophobicContact CB-CG1 4.2Å; P64-I67 WeakPolarHBondContact O-CG1 3.46Å; I67-S69 WeakPolarHBondContact CG2-O 3.49Å; I67-L91 HydrophobicContact CG2-CD1 4.14Å
68	I	96.7	Very high	91.8	Very high	56 Å²	56	45.3 Å²	45.3	29%	0.287	27%	0.271	S	S	.	.			trans	-112.4	-17.4	175.7	63.8	175.5	0	0	0	112.1	D49 G66 L90 Q92 F93	D49-I68 HydrophobicContact CB-CD1 4.26Å; D49-I68 HydrophobicContact CB-CG1 4.05Å; D49-I68 WeakPolarHBondContact O-CG1 3.37Å; D49-I68 PolarHBondContact O-N 3.25Å; G66-I68 PolarHBondContact O-N 2.85Å; I68-L90 HydrophobicContact CG2-CB 4.43Å; I68-Q92 HydrophobicContact CB-CG 4.48Å; I68-Q92 PolarHBondContact O-N 2.96Å; I68-F93 PolarHBondContact O-N 3.13Å
69	S	97.8	Very high	92	Very high	32 Å²	32	43.5 Å²	43.5	22%	0.224	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.1	178.6	179.6	0	0	0	0	111.4	D49 S50 A51 I67 F93	D49-S69 PolarHBondContact O-N 3.3Å; D49-S69 VanDerWaalsContact O-N 3.07Å; S50-S69 CarbonylContact C-O 3.56Å; S50-S69 WeakPolarHBondContact CA-O 3.35Å; A51-S69 PolarHBondContact N-O 2.79Å; I67-S69 WeakPolarHBondContact CG2-O 3.49Å; S69-F93 WeakPolarHBondContact CA-O 3.28Å; S69-F93 VanDerWaalsContact OG-CD1 3.3Å; S69-F93 WeakPolarHBondContact OG-CD1 3.31Å
70	L	97.2	Very high	92.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.3	178.3	175.2	63.4	0	0	0	110	A51 F63 M72 F85 L88 L91 F93 L94 L95	A51-L70 HydrophobicContact CB-CD1 3.87Å; A51-L70 WeakPolarHBondContact O-CA 3.25Å; F63-L70 HydrophobicContact CE1-CD1 3.94Å; F63-L70 HydrophobicContact CZ-CD1 3.98Å; F63-L70 HydrophobicContact CZ-CD2 4.45Å; L70-M72 HydrophobicContact CD1-CG 4.21Å; L70-M72 HydrophobicContact CD2-CG 4.47Å; L70-M72 HydrophobicContact CD2-SD 4.32Å; L70-M72 HydrophobicContact CG-CG 4.2Å; L70-F85 HydrophobicContact CD2-CD1 3.9Å; L70-F85 HydrophobicContact CD2-CE1 3.87Å; L70-L88 HydrophobicContact CD2-CD1 3.77Å; L70-L91 HydrophobicContact CB-CD1 3.77Å; L70-L91 HydrophobicContact CB-CD2 4.3Å; L70-F93 PolarHBondContact N-O 3.22Å; L70-L94 HydrophobicContact CB-CD1 4Å; L70-L94 HydrophobicContact CD2-CD1 3.9Å; L70-L94 HydrophobicContact CG-CD1 3.93Å; L70-L94 WeakPolarHBondContact O-CA 3.24Å; L70-L95 PolarHBondContact O-N 2.84Å
71	T	97.3	Very high	92.4	Very high	20 Å²	20	44.8 Å²	44.8	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.5	172.5	-62.7	0	0	0	0	109.7	A51 F52 C53 V73 L95	A51-T71 PolarHBondContact O-N 2.97Å; F52-T71 HydrophobicContact CD2-CG2 3.59Å; F52-T71 HydrophobicContact CE2-CG2 3.57Å; C53-T71 PolarHBondContact N-O 2.84Å; T71-V73 HydrophobicContact CG2-CG2 4.02Å; T71-L95 CarbonylContact C-O 3.48Å; T71-L95 WeakPolarHBondContact CA-O 3.13Å; T71-L95 HydrophobicContact CG2-CB 4.16Å; T71-L95 HydrophobicContact CG2-CD2 3.82Å; T71-L95 HydrophobicContact CG2-CG 4.09Å
72	M	95.7	Very high	92.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.4	175.1	-56.5	-176.2	63	0	0	110.5	C53 T56 L70 F77 F85 L95 L96 N97 N99	C53-M72 HydrophobicContact CB-CG 4.15Å; C53-M72 WeakPolarHBondContact O-CA 3.21Å; T56-M72 HydrophobicContact CG2-CE 4.35Å; T56-M72 VanDerWaalsContact OG1-CE 3.29Å; T56-M72 WeakPolarHBondContact OG1-CE 3.42Å; L70-M72 HydrophobicContact CD1-CG 4.21Å; L70-M72 HydrophobicContact CD2-CG 4.47Å; L70-M72 HydrophobicContact CD2-SD 4.32Å; L70-M72 HydrophobicContact CG-CG 4.2Å; M72-F77 HydrophobicContact CE-CE1 3.97Å; M72-F77 HydrophobicContact CE-CZ 3.85Å; M72-F85 HydrophobicContact SD-CE1 3.89Å; M72-F85 HydrophobicContact SD-CZ 4.26Å; M72-L95 PolarHBondContact N-O 2.85Å; M72-L96 HydrophobicContact CB-CD2 3.8Å; M72-L96 HydrophobicContact CG-CD2 4.04Å; M72-L96 HydrophobicContact SD-CD2 3.99Å; M72-N97 PolarHBondContact O-N 3.48Å; M72-N97 VanDerWaalsContact O-N 3.15Å; M72-N99 PolarHBondContact O-ND2 3.29Å
73	V	95.4	Very high	93.2	Very high	36 Å²	36	41 Å²	41	22%	0.218	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.7	-179.3	-177.3	0	0	0	0	110.1	F52 C53 V54 D55 T71 A75 N97 N99	F52-V73 HydrophobicContact CE2-CG2 4.3Å; F52-V73 HydrophobicContact CZ-CG2 4.39Å; C53-V73 PolarHBondContact O-N 2.94Å; V54-V73 WeakPolarHBondContact CA-O 3.4Å; D55-V73 PolarHBondContact N-O 2.71Å; T71-V73 HydrophobicContact CG2-CG2 4.02Å; V73-A75 VanDerWaalsContact C-N 3.31Å; V73-A75 PolarHBondContact O-N 2.9Å; V73-N97 WeakPolarHBondContact CA-O 3.47Å; V73-N99 VanDerWaalsContact C-OD1 3.32Å
74	N	91.7	Very high	93.3	Very high	92 Å²	92	41.1 Å²	41.1	49%	0.492	26%	0.257	S	S	.	.	S	Bend	trans	52.7	42.7	177.9	-158.7	31.7	0	0	0	114.3	D55 S98 N99	D55-N74 VanDerWaalsContact CA-O 3.32Å; D55-N74 WeakPolarHBondContact CA-O 3.38Å; D55-N74 PolarHBondContact N-O 2.91Å; D55-N74 PolarHBondContact OD1-ND2 3.36Å; N74-S98 WeakPolarHBondContact CA-O 3.24Å; N74-S98 PolarHBondContact N-O 2.96Å; N74-N99 PolarHBondContact N-OD1 2.82Å
75	A	91.6	Very high	93.6	Very high	3 Å²	3	40 Å²	40	3%	0.025	25%	0.25	C	C	.	.			trans	-65.3	138.1	173.4	0	0	0	0	0	111.1	T56 V73 F77 N99 F101	T56-A75 WeakPolarHBondContact O-CA 3.17Å; V73-A75 VanDerWaalsContact C-N 3.31Å; V73-A75 PolarHBondContact O-N 2.9Å; A75-F77 VanDerWaalsContact C-N 3.29Å; A75-F77 HydrophobicContact CB-CD1 3.84Å; A75-F77 HydrophobicContact CB-CE1 3.5Å; A75-F77 HydrophobicContact CB-CZ 3.91Å; A75-F77 PolarHBondContact O-N 2.67Å; A75-N99 HydrophobicContact CB-CB 4.19Å; A75-N99 VanDerWaalsContact CB-OD1 3.25Å; A75-N99 WeakPolarHBondContact CB-OD1 3.35Å; A75-N99 PolarHBondContact N-OD1 3.2Å; A75-F101 HydrophobicContact CB-CE1 3.89Å; A75-F101 HydrophobicContact CB-CZ 3.85Å
76	A	90.2	Very high	94.2	Very high	75 Å²	75	38 Å²	38	62%	0.62	24%	0.237	S	C	*	.	S	Bend	trans	-87.8	6	-179.3	0	0	0	0	0	113.6	T56	T56-A76 PolarHBondContact O-N 3.24Å
77	F	91.8	Very high	94.4	Very high	28 Å²	28	39.5 Å²	39.5	12%	0.123	24%	0.236	C	C	.	.			trans	-109.4	153.2	174.7	62.6	-89.3	0	0	0	110.2	I59 M72 A75 T79 F101	I59-F77 HydrophobicContact CD1-CE2 3.97Å; I59-F77 HydrophobicContact CD1-CZ 4.07Å; I59-F77 HydrophobicContact CG1-CE1 4Å; I59-F77 HydrophobicContact CG1-CE2 3.69Å; I59-F77 HydrophobicContact CG1-CZ 3.35Å; M72-F77 HydrophobicContact CE-CE1 3.97Å; M72-F77 HydrophobicContact CE-CZ 3.85Å; A75-F77 VanDerWaalsContact C-N 3.29Å; A75-F77 HydrophobicContact CB-CD1 3.84Å; A75-F77 HydrophobicContact CB-CE1 3.5Å; A75-F77 HydrophobicContact CB-CZ 3.91Å; A75-F77 PolarHBondContact O-N 2.67Å; F77-T79 VanDerWaalsContact CD2-O 3.28Å; F77-T79 WeakPolarHBondContact CD2-O 3.45Å; F77-F101 HydrophobicContact CD2-CD1 4.17Å; F77-F101 AromaticContact CD2-CE1 3.49Å; F77-F101 HydrophobicContact CD2-CE1 3.49Å; F77-F101 VanDerWaalsContact CD2-CE1 3.49Å; F77-F101 HydrophobicContact CD2-CZ 4.33Å; F77-F101 HydrophobicContact CE1-CE1 4.44Å; F77-F101 HydrophobicContact CE2-CD1 4.1Å; F77-F101 AromaticContact CE2-CE1 3.15Å; F77-F101 HydrophobicContact CE2-CE1 3.15Å; F77-F101 AromaticContact CE2-CZ 3.56Å; F77-F101 HydrophobicContact CE2-CZ 3.56Å; F77-F101 HydrophobicContact CG-CE1 4.25Å; F77-F101 AromaticContact CZ-CE1 3.68Å; F77-F101 HydrophobicContact CZ-CE1 3.68Å; F77-F101 AromaticContact CZ-CZ 3.71Å; F77-F101 HydrophobicContact CZ-CZ 3.71Å; F77-F101 WeakPolarHBondContact O-CD1 3.33Å; F77-F101 WeakPolarHBondContact O-CE1 3.31Å
78	T	93.6	Very high	94.3	Very high	64 Å²	64	40 Å²	40	39%	0.393	24%	0.238	S	C	.	.			trans	-110.5	-3.8	-172.3	56.7	0	0	0	0	113.4	T100 F101 T102 V103	T78-T100 WeakPolarHBondContact CB-O 3.35Å; T78-T100 WeakPolarHBondContact CG2-O 3.32Å; T78-F101 CarbonylContact O-C 3.23Å; T78-F101 WeakPolarHBondContact O-CA 3.49Å; T78-T102 PolarHBondContact O-N 3.1Å; T78-T102 PolarHBondContact O-OG1 2.78Å; T78-V103 PolarHBondContact O-N 2.85Å
79	T	94.4	Very high	94.1	Very high	62 Å²	62	42.5 Å²	42.5	38%	0.38	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.6	-175	-56	0	0	0	0	112.1	F77 P81 V103	F77-T79 VanDerWaalsContact CD2-O 3.28Å; F77-T79 WeakPolarHBondContact CD2-O 3.45Å; T79-P81 WeakPolarHBondContact O-CD 3.46Å; T79-V103 VanDerWaalsContact CA-O 3.3Å; T79-V103 WeakPolarHBondContact CA-O 3.43Å; T79-V103 HydrophobicContact CG2-CB 4.04Å; T79-V103 HydrophobicContact CG2-CG1 4.06Å
80	I	95.9	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	108.6	169.1	-51.1	178.2	0	0	0	108	I59 A84 F85 L96 F101 V103 V104 A105 A108 F109	I59-I80 HydrophobicContact CD1-CG2 4.33Å; I80-A84 HydrophobicContact CG2-CB 3.71Å; I80-F85 HydrophobicContact CG2-CE2 3.94Å; I80-L96 HydrophobicContact CD1-CD1 3.55Å; I80-F101 HydrophobicContact CD1-CD2 3.95Å; I80-F101 HydrophobicContact CD1-CE2 4.14Å; I80-F101 HydrophobicContact CD1-CG 4.43Å; I80-F101 HydrophobicContact CG1-CD1 4.49Å; I80-F101 HydrophobicContact CG1-CD2 4.24Å; I80-F101 HydrophobicContact CG1-CE2 4.38Å; I80-F101 HydrophobicContact CG1-CG 4.3Å; I80-V103 PolarHBondContact N-O 2.9Å; I80-V104 HydrophobicContact CB-CG1 4.22Å; I80-V104 HydrophobicContact CD1-CG1 4.41Å; I80-V104 HydrophobicContact CD1-CG2 4.06Å; I80-V104 HydrophobicContact CG1-CG2 4.48Å; I80-A105 WeakPolarHBondContact O-CB 2.98Å; I80-A105 PolarHBondContact O-N 3.16Å; I80-A108 HydrophobicContact CG2-CB 3.94Å; I80-F109 HydrophobicContact CD1-CZ 4.26Å
81	P	95.8	Very high	93.9	Very high	66 Å²	66	45.6 Å²	45.6	43%	0.429	26%	0.262	S	S	.	.			trans	-75	167.2	-178.3	31.9	-36.3	0	0	0	112.5	I59 T79 G83 A84 A108	I59-P81 HydrophobicContact CD1-CG 4.42Å; T79-P81 WeakPolarHBondContact O-CD 3.46Å; P81-G83 PolarHBondContact O-N 2.7Å; P81-A84 HydrophobicContact CG-CB 4.17Å; P81-A84 VanDerWaalsContact O-CB 3.29Å; P81-A84 WeakPolarHBondContact O-CB 3.3Å; P81-A84 PolarHBondContact O-N 2.9Å; P81-A108 WeakPolarHBondContact O-CA 3.39Å
82	E	96.3	Very high	93.9	Very high	144 Å²	144	48.5 Å²	48.5	67%	0.673	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	134.2	172	-179.3	-175.6	164.6	0	0	111.3	A84 D107	E82-A84 PolarHBondContact O-N 2.02Å; E82-A84 VanDerWaalsContact O-N 3.08Å; E82-D107 HydrophobicContact CG-CB 4Å
83	G	94.6	Very high	94	Very high	17 Å²	17	51 Å²	51	18%	0.175	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	26	176.1	0	0	0	0	0	114.2	P81 F85 S86 D107	P81-G83 PolarHBondContact O-N 2.7Å; G83-F85 PolarHBondContact O-N 2.8Å; G83-S86 VanDerWaalsContact O-CB 3.23Å; G83-S86 WeakPolarHBondContact O-CB 3.41Å; G83-S86 PolarHBondContact O-N 2.95Å; G83-S86 PolarHBondContact O-OG 2.86Å; G83-D107 PolarHBondContact N-O 3.13Å
84	A	94.1	Very high	94.2	Very high	13 Å²	13	49.3 Å²	49.3	11%	0.107	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-40	-176.5	0	0	0	0	0	113.5	I59 I80 P81 E82 A108	I59-A84 HydrophobicContact CD1-CB 3.48Å; I59-A84 VanDerWaalsContact CD1-CB 3.48Å; I80-A84 HydrophobicContact CG2-CB 3.71Å; P81-A84 HydrophobicContact CG-CB 4.17Å; P81-A84 VanDerWaalsContact O-CB 3.29Å; P81-A84 WeakPolarHBondContact O-CB 3.3Å; P81-A84 PolarHBondContact O-N 2.9Å; E82-A84 PolarHBondContact O-N 2.02Å; E82-A84 VanDerWaalsContact O-N 3.08Å; A84-A108 PolarHBondContact N-O 2.91Å; A84-A108 VanDerWaalsContact N-O 3.1Å
85	F	94.4	Very high	94.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	12.4	-176	-54.3	-76.9	0	0	0	112.8	I59 L70 M72 I80 G83 H87 L88 L94 L96 F109 L112	I59-F85 HydrophobicContact CD1-CZ 4.14Å; I59-F85 HydrophobicContact CG2-CD1 4.22Å; I59-F85 HydrophobicContact CG2-CE1 3.88Å; I59-F85 HydrophobicContact CG2-CZ 4.49Å; L70-F85 HydrophobicContact CD2-CD1 3.9Å; L70-F85 HydrophobicContact CD2-CE1 3.87Å; M72-F85 HydrophobicContact SD-CE1 3.89Å; M72-F85 HydrophobicContact SD-CZ 4.26Å; I80-F85 HydrophobicContact CG2-CE2 3.94Å; G83-F85 PolarHBondContact O-N 2.8Å; F85-H87 PolarHBondContact O-N 3Å; F85-L88 HydrophobicContact CD1-CD1 4.5Å; F85-L88 WeakPolarHBondContact O-CB 3.25Å; F85-L88 PolarHBondContact O-N 3.39Å; F85-L94 HydrophobicContact CD2-CD2 3.96Å; F85-L94 HydrophobicContact CE1-CD1 4.41Å; F85-L94 HydrophobicContact CE2-CD2 3.95Å; F85-L94 HydrophobicContact CG-CD2 4.28Å; F85-L94 HydrophobicContact CZ-CD2 4.25Å; F85-L96 HydrophobicContact CE2-CD1 4.44Å; F85-L96 HydrophobicContact CZ-CD1 4.34Å; F85-L96 HydrophobicContact CZ-CD2 4.23Å; F85-F109 AromaticContact CD2-CD1 3.86Å; F85-F109 HydrophobicContact CD2-CD1 3.86Å; F85-F109 HydrophobicContact CD2-CE1 4.05Å; F85-F109 HydrophobicContact CE2-CD1 4.12Å; F85-F109 AromaticContact CE2-CE1 3.81Å; F85-F109 HydrophobicContact CE2-CE1 3.81Å; F85-L112 HydrophobicContact CB-CD1 3.85Å; F85-L112 HydrophobicContact CB-CD2 4.02Å; F85-L112 HydrophobicContact CB-CG 4.21Å; F85-L112 WeakPolarHBondContact O-CD2 3.14Å
86	S	92.5	Very high	94.7	Very high	49 Å²	49	46.3 Å²	46.3	34%	0.343	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.9	-173.6	53.2	0	0	0	0	112.9	G83 L88 H89 A110	G83-S86 VanDerWaalsContact O-CB 3.23Å; G83-S86 WeakPolarHBondContact O-CB 3.41Å; G83-S86 PolarHBondContact O-N 2.95Å; G83-S86 PolarHBondContact O-OG 2.86Å; S86-L88 PolarHBondContact O-N 3.49Å; S86-L88 VanDerWaalsContact O-N 3.15Å; S86-H89 PolarHBondContact O-CE1 2.99Å; S86-H89 PolarHBondContact O-ND1 3.37Å; S86-H89 PolarHBondContact O-NE2 3.5Å; S86-A110 WeakPolarHBondContact CA-O 3.36Å
87	H	90.3	Very high	94.9	Very high	66 Å²	66	44.6 Å²	44.6	31%	0.306	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.5	177.9	65.2	-76.8	0	0	0	115.4	P60 F63 F85	P60-H87 PolarHBondContact O-CE1 2.87Å; P60-H87 PolarHBondContact O-NE2 2.83Å; F63-H87 AromaticContact CD2-NE2 3.43Å; F63-H87 WeakPolarHBondContact CD2-NE2 3.33Å; F63-H87 AromaticContact CE2-NE2 3.77Å; F85-H87 PolarHBondContact O-N 3Å
88	L	93.1	Very high	95	Very high	13 Å²	13	46 Å²	46	7%	0.068	25%	0.252	C	S	.	.			trans	-103.1	53.9	-179.8	-59.1	175.8	0	0	0	111.5	F63 L70 F85 S86 L90 L91 L112	F63-L88 HydrophobicContact CB-CD2 3.91Å; F63-L88 HydrophobicContact CD2-CD1 4.12Å; F63-L88 HydrophobicContact CD2-CD2 3.91Å; F63-L88 HydrophobicContact CD2-CG 4.43Å; F63-L88 HydrophobicContact CE2-CD1 4.18Å; F63-L88 HydrophobicContact CG-CD2 4.12Å; L70-L88 HydrophobicContact CD2-CD1 3.77Å; F85-L88 HydrophobicContact CD1-CD1 4.5Å; F85-L88 WeakPolarHBondContact O-CB 3.25Å; F85-L88 PolarHBondContact O-N 3.39Å; S86-L88 PolarHBondContact O-N 3.49Å; S86-L88 VanDerWaalsContact O-N 3.15Å; L88-L90 PolarHBondContact O-N 2.98Å; L88-L91 HydrophobicContact CB-CB 4.31Å; L88-L91 VanDerWaalsContact O-CB 3.27Å; L88-L91 WeakPolarHBondContact O-CB 3.4Å; L88-L91 PolarHBondContact O-N 2.61Å; L88-L112 HydrophobicContact CB-CD2 4.42Å; L88-L112 VanDerWaalsContact O-CD2 3.23Å; L88-L112 WeakPolarHBondContact O-CD2 3.04Å
89	H	91.8	Very high	94.9	Very high	109 Å²	109	43.3 Å²	43.3	51%	0.505	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.1	-173.6	-54	-70.9	0	0	0	116.2	S86 G111 H114	S86-H89 PolarHBondContact O-CE1 2.99Å; S86-H89 PolarHBondContact O-ND1 3.37Å; S86-H89 PolarHBondContact O-NE2 3.5Å; H89-G111 PolarHBondContact ND1-O 2.88Å; H89-H114 PolarHBondContact O-ND1 2.87Å
90	L	94.8	Very high	94.9	Very high	98 Å²	98	44.1 Å²	44.1	51%	0.513	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	0.3	179.5	-63.4	177.4	0	0	0	113.3	I68 L88 Q92	I68-L90 HydrophobicContact CG2-CB 4.43Å; L88-L90 PolarHBondContact O-N 2.98Å; L90-Q92 PolarHBondContact O-N 2.88Å
91	L	96.8	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.			trans	-62.8	129.2	-176	-155.8	72.3	0	0	0	111	I67 L70 L88 L94 L112 H114 L115	I67-L91 HydrophobicContact CG2-CD1 4.14Å; L70-L91 HydrophobicContact CB-CD1 3.77Å; L70-L91 HydrophobicContact CB-CD2 4.3Å; L88-L91 HydrophobicContact CB-CB 4.31Å; L88-L91 VanDerWaalsContact O-CB 3.27Å; L88-L91 WeakPolarHBondContact O-CB 3.4Å; L88-L91 PolarHBondContact O-N 2.61Å; L91-L94 HydrophobicContact CD2-CB 3.89Å; L91-L94 HydrophobicContact CD2-CD1 4.24Å; L91-L94 HydrophobicContact CD2-CD2 4.25Å; L91-L94 HydrophobicContact CD2-CG 4.35Å; L91-L112 HydrophobicContact CB-CD2 4.05Å; L91-L112 HydrophobicContact CD2-CD1 4.16Å; L91-L112 HydrophobicContact CD2-CD2 4.41Å; L91-H114 CarbonylContact O-C 3.15Å; L91-H114 VanDerWaalsContact O-C 3.26Å; L91-L115 HydrophobicContact CB-CD1 4.17Å; L91-L115 HydrophobicContact CD2-CD1 3.97Å; L91-L115 HydrophobicContact CG-CD1 3.93Å; L91-L115 VanDerWaalsContact O-CA 3.27Å; L91-L115 WeakPolarHBondContact O-CA 3.48Å; L91-L115 PolarHBondContact O-N 2.8Å; L91-L115 VanDerWaalsContact O-N 3.16Å
92	Q	97.8	Very high	94.7	Very high	80 Å²	80	43.8 Å²	43.8	37%	0.374	24%	0.237	S	C	.	.			trans	-112	-28.7	177.4	-65.4	176.8	14.2	0	0	111.5	I68 L90 Q116 Y117	I68-Q92 HydrophobicContact CB-CG 4.48Å; I68-Q92 PolarHBondContact O-N 2.96Å; L90-Q92 PolarHBondContact O-N 2.88Å; Q92-Q116 PolarHBondContact O-N 3.2Å; Q92-Y117 PolarHBondContact O-N 3.25Å
93	F	98.3	Very high	94.6	Very high	54 Å²	54	40.4 Å²	40.4	24%	0.237	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.2	-179.4	-178.2	-82.7	0	0	0	111.2	I68 S69 L70 L95 Y117 F119	I68-F93 PolarHBondContact O-N 3.13Å; S69-F93 WeakPolarHBondContact CA-O 3.28Å; S69-F93 VanDerWaalsContact OG-CD1 3.3Å; S69-F93 WeakPolarHBondContact OG-CD1 3.31Å; L70-F93 PolarHBondContact N-O 3.22Å; F93-L95 HydrophobicContact CD1-CB 4.5Å; F93-L95 HydrophobicContact CE1-CB 3.54Å; F93-L95 HydrophobicContact CZ-CB 3.95Å; F93-Y117 WeakPolarHBondContact CA-O 3.45Å; F93-Y117 VanDerWaalsContact CD2-CB 3.5Å; F93-Y117 HydrophobicContact CD2-CD2 4.34Å; F93-Y117 AromaticContact CD2-CG 3.98Å; F93-Y117 HydrophobicContact CD2-CG 3.98Å; F93-F119 AromaticContact CE2-CD2 3.85Å; F93-F119 HydrophobicContact CE2-CD2 3.85Å; F93-F119 AromaticContact CE2-CE2 3.57Å; F93-F119 HydrophobicContact CE2-CE2 3.57Å; F93-F119 AromaticContact CZ-CD2 3.88Å; F93-F119 HydrophobicContact CZ-CD2 3.88Å; F93-F119 HydrophobicContact CZ-CE2 4.03Å
94	L	98.1	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.6	174.7	-179.4	54.5	0	0	0	110.7	L70 F85 L91 L96 F109 L112 L115 Y117 L118 F119	L70-L94 HydrophobicContact CB-CD1 4Å; L70-L94 HydrophobicContact CD2-CD1 3.9Å; L70-L94 HydrophobicContact CG-CD1 3.93Å; L70-L94 WeakPolarHBondContact O-CA 3.24Å; F85-L94 HydrophobicContact CD2-CD2 3.96Å; F85-L94 HydrophobicContact CE1-CD1 4.41Å; F85-L94 HydrophobicContact CE2-CD2 3.95Å; F85-L94 HydrophobicContact CG-CD2 4.28Å; F85-L94 HydrophobicContact CZ-CD2 4.25Å; L91-L94 HydrophobicContact CD2-CB 3.89Å; L91-L94 HydrophobicContact CD2-CD1 4.24Å; L91-L94 HydrophobicContact CD2-CD2 4.25Å; L91-L94 HydrophobicContact CD2-CG 4.35Å; L94-L96 HydrophobicContact CD1-CD2 3.9Å; L94-L96 HydrophobicContact CD1-CG 4.18Å; L94-L96 HydrophobicContact CD2-CD1 4.48Å; L94-L96 HydrophobicContact CG-CD2 4.4Å; L94-L96 HydrophobicContact CG-CG 4.13Å; L94-F109 HydrophobicContact CD2-CD1 3.91Å; L94-F109 HydrophobicContact CD2-CE1 3.75Å; L94-L112 HydrophobicContact CD2-CD1 4.35Å; L94-L115 HydrophobicContact CB-CD1 3.95Å; L94-L115 HydrophobicContact CB-CD2 4.47Å; L94-Y117 PolarHBondContact N-O 2.83Å; L94-L118 HydrophobicContact CB-CD1 3.97Å; L94-L118 HydrophobicContact CD2-CD1 3.86Å; L94-L118 HydrophobicContact CG-CD1 3.93Å; L94-F119 PolarHBondContact O-N 2.91Å
95	L	97.9	Very high	94.8	Very high	32 Å²	32	40.8 Å²	40.8	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.1	174.6	177	64	0	0	0	110.7	L70 T71 M72 F93 N97 F119	L70-L95 PolarHBondContact O-N 2.84Å; T71-L95 CarbonylContact C-O 3.48Å; T71-L95 WeakPolarHBondContact CA-O 3.13Å; T71-L95 HydrophobicContact CG2-CB 4.16Å; T71-L95 HydrophobicContact CG2-CD2 3.82Å; T71-L95 HydrophobicContact CG2-CG 4.09Å; M72-L95 PolarHBondContact N-O 2.85Å; F93-L95 HydrophobicContact CD1-CB 4.5Å; F93-L95 HydrophobicContact CE1-CB 3.54Å; F93-L95 HydrophobicContact CZ-CB 3.95Å; L95-N97 HydrophobicContact CD1-CB 3.85Å; L95-N97 HydrophobicContact CG-CB 4.04Å; L95-F119 CarbonylContact C-O 3.57Å; L95-F119 WeakPolarHBondContact CA-O 3.4Å; L95-F119 HydrophobicContact CD1-CB 3.44Å; L95-F119 VanDerWaalsContact CD1-CB 3.44Å; L95-F119 HydrophobicContact CD1-CD2 4.17Å; L95-F119 HydrophobicContact CD1-CG 4.32Å
96	L	96.6	Very high	94.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	81.2	177.9	-63.3	-175	0	0	0	108.4	M72 I80 F85 L94 F101 F109 F119 I120 E121 N123	M72-L96 HydrophobicContact CB-CD2 3.8Å; M72-L96 HydrophobicContact CG-CD2 4.04Å; M72-L96 HydrophobicContact SD-CD2 3.99Å; I80-L96 HydrophobicContact CD1-CD1 3.55Å; F85-L96 HydrophobicContact CE2-CD1 4.44Å; F85-L96 HydrophobicContact CZ-CD1 4.34Å; F85-L96 HydrophobicContact CZ-CD2 4.23Å; L94-L96 HydrophobicContact CD1-CD2 3.9Å; L94-L96 HydrophobicContact CD1-CG 4.18Å; L94-L96 HydrophobicContact CD2-CD1 4.48Å; L94-L96 HydrophobicContact CG-CD2 4.4Å; L94-L96 HydrophobicContact CG-CG 4.13Å; L96-F101 HydrophobicContact CB-CE2 4.09Å; L96-F101 HydrophobicContact CD1-CE2 4.24Å; L96-F101 HydrophobicContact CD2-CE2 4.42Å; L96-F101 HydrophobicContact CG-CE2 4.49Å; L96-F109 HydrophobicContact CD1-CE1 4.21Å; L96-F109 HydrophobicContact CD1-CZ 4.39Å; L96-F119 PolarHBondContact N-O 3.27Å; L96-I120 HydrophobicContact CB-CG2 4.42Å; L96-I120 HydrophobicContact CD1-CG1 4.36Å; L96-E121 PolarHBondContact O-N 2.84Å; L96-E121 VanDerWaalsContact O-N 3.07Å; L96-N123 PolarHBondContact O-ND2 3.25Å
97	N	94.9	Very high	95	Very high	38 Å²	38	43 Å²	43	20%	0.203	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.7	-170.4	-173.9	24.5	0	0	0	112.7	M72 V73 L95 N99 E121 N122	M72-N97 PolarHBondContact O-N 3.48Å; M72-N97 VanDerWaalsContact O-N 3.15Å; V73-N97 WeakPolarHBondContact CA-O 3.47Å; L95-N97 HydrophobicContact CD1-CB 3.85Å; L95-N97 HydrophobicContact CG-CB 4.04Å; N97-N99 PolarHBondContact N-ND2 3.11Å; N97-N99 PolarHBondContact O-N 3.06Å; N97-N99 PolarHBondContact O-ND2 2.95Å; N97-E121 VanDerWaalsContact CA-O 3.29Å; N97-E121 WeakPolarHBondContact CA-O 3.32Å; N97-E121 PolarHBondContact OD1-O 2.98Å; N97-N122 PolarHBondContact OD1-ND2 3.21Å
98	S	92.1	Very high	95.3	Very high	58 Å²	58	39.9 Å²	39.9	41%	0.406	22%	0.22	S	C	.	.	S	Bend	trans	55.2	50.3	174.7	-55.5	0	0	0	0	112.1	N74 E121 N122	N74-S98 WeakPolarHBondContact CA-O 3.24Å; N74-S98 PolarHBondContact N-O 2.96Å; S98-E121 PolarHBondContact N-O 2.93Å; S98-E121 VanDerWaalsContact N-O 3.09Å; S98-N122 VanDerWaalsContact CA-O 3.28Å; S98-N122 WeakPolarHBondContact CA-O 3.27Å; S98-N122 PolarHBondContact N-O 2.95Å
99	N	93.2	Very high	95.4	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.043	22%	0.217	C	C	.	.			trans	-114.8	173.5	169.7	-43.4	-84.9	0	0	0	109.5	M72 V73 N74 A75 N97 F101 N123	M72-N99 PolarHBondContact O-ND2 3.29Å; V73-N99 VanDerWaalsContact C-OD1 3.32Å; N74-N99 PolarHBondContact N-OD1 2.82Å; A75-N99 HydrophobicContact CB-CB 4.19Å; A75-N99 VanDerWaalsContact CB-OD1 3.25Å; A75-N99 WeakPolarHBondContact CB-OD1 3.35Å; A75-N99 PolarHBondContact N-OD1 3.2Å; N97-N99 PolarHBondContact N-ND2 3.11Å; N97-N99 PolarHBondContact O-N 3.06Å; N97-N99 PolarHBondContact O-ND2 2.95Å; N99-F101 VanDerWaalsContact C-N 3.34Å; N99-F101 HydrophobicContact CB-CD1 4.12Å; N99-F101 HydrophobicContact CB-CD2 3.89Å; N99-F101 HydrophobicContact CB-CE1 3.88Å; N99-F101 HydrophobicContact CB-CE2 3.67Å; N99-F101 HydrophobicContact CB-CG 4.12Å; N99-F101 HydrophobicContact CB-CZ 3.66Å; N99-F101 WeakPolarHBondContact ND2-CE2 3.34Å; N99-N123 VanDerWaalsContact C-OD1 3.27Å; N99-N123 VanDerWaalsContact CA-OD1 3.28Å; N99-N123 WeakPolarHBondContact CA-OD1 3.49Å; N99-N123 WeakPolarHBondContact CB-OD1 3.4Å; N99-N123 PolarHBondContact N-OD1 2.8Å; N99-N123 VanDerWaalsContact N-OD1 3.11Å; N99-N123 PolarHBondContact ND2-OD1 2.7Å; N99-N123 WeakPolarHBondContact O-CA 3.49Å; N99-N123 PolarHBondContact O-OD1 3.25Å; N99-N123 VanDerWaalsContact O-OD1 3.07Å
100	T	93.2	Very high	95.5	Very high	79 Å²	79	35.5 Å²	35.5	49%	0.485	20%	0.204	S	C	.	.			trans	-101.9	35.5	179.6	52.9	0	0	0	0	111.6	T78 T102	T78-T100 WeakPolarHBondContact CB-O 3.35Å; T78-T100 WeakPolarHBondContact CG2-O 3.32Å; T100-T102 PolarHBondContact O-N 2.86Å
101	F	94.9	Very high	95.4	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	20%	0.198	C	C	.	.			trans	-66.4	127	179.5	-58	-33.9	0	0	0	110.9	A75 F77 T78 I80 L96 N99 N123 D124 I125	A75-F101 HydrophobicContact CB-CE1 3.89Å; A75-F101 HydrophobicContact CB-CZ 3.85Å; F77-F101 HydrophobicContact CD2-CD1 4.17Å; F77-F101 AromaticContact CD2-CE1 3.49Å; F77-F101 HydrophobicContact CD2-CE1 3.49Å; F77-F101 VanDerWaalsContact CD2-CE1 3.49Å; F77-F101 HydrophobicContact CD2-CZ 4.33Å; F77-F101 HydrophobicContact CE1-CE1 4.44Å; F77-F101 HydrophobicContact CE2-CD1 4.1Å; F77-F101 AromaticContact CE2-CE1 3.15Å; F77-F101 HydrophobicContact CE2-CE1 3.15Å; F77-F101 AromaticContact CE2-CZ 3.56Å; F77-F101 HydrophobicContact CE2-CZ 3.56Å; F77-F101 HydrophobicContact CG-CE1 4.25Å; F77-F101 AromaticContact CZ-CE1 3.68Å; F77-F101 HydrophobicContact CZ-CE1 3.68Å; F77-F101 AromaticContact CZ-CZ 3.71Å; F77-F101 HydrophobicContact CZ-CZ 3.71Å; F77-F101 WeakPolarHBondContact O-CD1 3.33Å; F77-F101 WeakPolarHBondContact O-CE1 3.31Å; T78-F101 CarbonylContact O-C 3.23Å; T78-F101 WeakPolarHBondContact O-CA 3.49Å; I80-F101 HydrophobicContact CD1-CD2 3.95Å; I80-F101 HydrophobicContact CD1-CE2 4.14Å; I80-F101 HydrophobicContact CD1-CG 4.43Å; I80-F101 HydrophobicContact CG1-CD1 4.49Å; I80-F101 HydrophobicContact CG1-CD2 4.24Å; I80-F101 HydrophobicContact CG1-CE2 4.38Å; I80-F101 HydrophobicContact CG1-CG 4.3Å; L96-F101 HydrophobicContact CB-CE2 4.09Å; L96-F101 HydrophobicContact CD1-CE2 4.24Å; L96-F101 HydrophobicContact CD2-CE2 4.42Å; L96-F101 HydrophobicContact CG-CE2 4.49Å; N99-F101 VanDerWaalsContact C-N 3.34Å; N99-F101 HydrophobicContact CB-CD1 4.12Å; N99-F101 HydrophobicContact CB-CD2 3.89Å; N99-F101 HydrophobicContact CB-CE1 3.88Å; N99-F101 HydrophobicContact CB-CE2 3.67Å; N99-F101 HydrophobicContact CB-CG 4.12Å; N99-F101 HydrophobicContact CB-CZ 3.66Å; N99-F101 WeakPolarHBondContact ND2-CE2 3.34Å; F101-N123 HydrophobicContact CB-CB 4.1Å; F101-N123 WeakPolarHBondContact CD2-OD1 3.36Å; F101-D124 CarbonylContact O-C 3.54Å; F101-D124 WeakPolarHBondContact O-CA 3.13Å; F101-D124 PolarHBondContact O-N 2.87Å; F101-I125 HydrophobicContact CB-CD1 4.48Å; F101-I125 HydrophobicContact CB-CG1 4.3Å; F101-I125 WeakPolarHBondContact O-CG1 3.45Å; F101-I125 PolarHBondContact O-N 2.93Å
102	T	93.7	Very high	95.3	Very high	58 Å²	58	32.6 Å²	32.6	36%	0.356	20%	0.198	S	C	.	.			trans	-113.7	-26.1	176.5	55.4	0	0	0	0	111.9	T78 T100 D124	T78-T102 PolarHBondContact O-N 3.1Å; T78-T102 PolarHBondContact O-OG1 2.78Å; T100-T102 PolarHBondContact O-N 2.86Å; T102-D124 HydrophobicContact CG2-CB 4.15Å
103	V	94	Very high	95.1	Very high	73 Å²	73	31.5 Å²	31.5	44%	0.442	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.8	-176.1	-178.3	0	0	0	0	111.1	T78 T79 I80	T78-V103 PolarHBondContact O-N 2.85Å; T79-V103 VanDerWaalsContact CA-O 3.3Å; T79-V103 WeakPolarHBondContact CA-O 3.43Å; T79-V103 HydrophobicContact CG2-CB 4.04Å; T79-V103 HydrophobicContact CG2-CG1 4.06Å; I80-V103 PolarHBondContact N-O 2.9Å
104	V	96.3	Very high	94.9	Very high	8 Å²	8	33.3 Å²	33.3	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.6	168.8	-172.1	0	0	0	0	107.6	I80 A108 F109 I125 L128 T132	I80-V104 HydrophobicContact CB-CG1 4.22Å; I80-V104 HydrophobicContact CD1-CG1 4.41Å; I80-V104 HydrophobicContact CD1-CG2 4.06Å; I80-V104 HydrophobicContact CG1-CG2 4.48Å; V104-A108 HydrophobicContact CG1-CB 3.62Å; V104-F109 HydrophobicContact CG1-CE2 3.86Å; V104-F109 HydrophobicContact CG1-CZ 4.31Å; V104-I125 HydrophobicContact CG2-CD1 3.7Å; V104-I125 HydrophobicContact CG2-CG1 4.37Å; V104-L128 HydrophobicContact CB-CD2 4.13Å; V104-L128 HydrophobicContact CG2-CD2 4.18Å; V104-T132 HydrophobicContact CB-CG2 4.09Å; V104-T132 HydrophobicContact CG1-CG2 3.43Å; V104-T132 VanDerWaalsContact CG1-CG2 3.43Å
105	A	95.8	Very high	94.9	Very high	29 Å²	29	33.3 Å²	33.3	24%	0.24	21%	0.208	C	C	.	.			trans	-66.4	165.7	-175.8	0	0	0	0	0	112.5	I80 A108	I80-A105 WeakPolarHBondContact O-CB 2.98Å; I80-A105 PolarHBondContact O-N 3.16Å; A105-A108 WeakPolarHBondContact O-CB 3.41Å; A105-A108 PolarHBondContact O-N 2.84Å
106	D	95.7	Very high	94.8	Very high	68 Å²	68	35.2 Å²	35.2	36%	0.364	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	142.3	165	-76.3	-13.4	0	0	0	109.9	A108 S129 H131	D106-A108 PolarHBondContact O-N 3.07Å; D106-S129 WeakPolarHBondContact OD1-CB 3.25Å; D106-S129 PolarHBondContact OD1-OG 3.42Å; D106-H131 HydrophobicContact CB-CB 4.06Å; D106-H131 IonicContact OD2-CD2 3.94Å
107	D	95.3	Very high	94.9	Very high	31 Å²	31	39 Å²	39	17%	0.166	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	23.8	175.9	-66.5	-58.1	0	0	0	113.5	E82 G83 F109 A110 H131 R134	E82-D107 HydrophobicContact CG-CB 4Å; G83-D107 PolarHBondContact N-O 3.13Å; D107-F109 PolarHBondContact O-N 2.94Å; D107-F109 VanDerWaalsContact O-N 3.13Å; D107-A110 HydrophobicContact CB-CB 4.06Å; D107-A110 WeakPolarHBondContact O-CB 3.39Å; D107-A110 PolarHBondContact O-N 2.92Å; D107-H131 PolarHBondContact N-O 2.9Å; D107-R134 VanDerWaalsContact OD1-CB 3.3Å; D107-R134 WeakPolarHBondContact OD1-CB 3.41Å; D107-R134 VanDerWaalsContact OD1-CD 3.25Å; D107-R134 WeakPolarHBondContact OD1-CD 3.35Å; D107-R134 WeakPolarHBondContact OD1-CG 3.42Å; D107-R134 IonicContact OD2-NH1 3.63Å
108	A	96.4	Very high	95	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.1	-178	0	0	0	0	0	113.7	I80 P81 A84 V104 A105 D106	I80-A108 HydrophobicContact CG2-CB 3.94Å; P81-A108 WeakPolarHBondContact O-CA 3.39Å; A84-A108 PolarHBondContact N-O 2.91Å; A84-A108 VanDerWaalsContact N-O 3.1Å; V104-A108 HydrophobicContact CG1-CB 3.62Å; A105-A108 WeakPolarHBondContact O-CB 3.41Å; A105-A108 PolarHBondContact O-N 2.84Å; D106-A108 PolarHBondContact O-N 3.07Å
109	F	96.3	Very high	95.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	17.5	179.7	-53.3	-77.9	0	0	0	113	I80 F85 L94 L96 V104 D107 G111 L112 L118 I120 T132 F133 L136	I80-F109 HydrophobicContact CD1-CZ 4.26Å; F85-F109 AromaticContact CD2-CD1 3.86Å; F85-F109 HydrophobicContact CD2-CD1 3.86Å; F85-F109 HydrophobicContact CD2-CE1 4.05Å; F85-F109 HydrophobicContact CE2-CD1 4.12Å; F85-F109 AromaticContact CE2-CE1 3.81Å; F85-F109 HydrophobicContact CE2-CE1 3.81Å; L94-F109 HydrophobicContact CD2-CD1 3.91Å; L94-F109 HydrophobicContact CD2-CE1 3.75Å; L96-F109 HydrophobicContact CD1-CE1 4.21Å; L96-F109 HydrophobicContact CD1-CZ 4.39Å; V104-F109 HydrophobicContact CG1-CE2 3.86Å; V104-F109 HydrophobicContact CG1-CZ 4.31Å; D107-F109 PolarHBondContact O-N 2.94Å; D107-F109 VanDerWaalsContact O-N 3.13Å; F109-G111 PolarHBondContact O-N 2.87Å; F109-L112 HydrophobicContact CB-CD1 4.21Å; F109-L112 HydrophobicContact CD1-CD1 4.27Å; F109-L112 WeakPolarHBondContact O-CB 3.5Å; F109-L112 WeakPolarHBondContact O-CG 3.24Å; F109-L112 PolarHBondContact O-N 2.84Å; F109-L118 HydrophobicContact CD1-CD1 4.44Å; F109-L118 HydrophobicContact CD1-CD2 4.49Å; F109-L118 HydrophobicContact CD2-CD2 4.28Å; F109-L118 HydrophobicContact CE1-CD1 4Å; F109-L118 HydrophobicContact CE1-CD2 4.43Å; F109-L118 HydrophobicContact CE2-CD2 4.23Å; F109-L118 HydrophobicContact CG-CD2 4.42Å; F109-L118 HydrophobicContact CZ-CD1 4.31Å; F109-L118 HydrophobicContact CZ-CD2 4.31Å; F109-I120 HydrophobicContact CE2-CD1 3.99Å; F109-I120 HydrophobicContact CZ-CD1 3.58Å; F109-T132 HydrophobicContact CD2-CG2 4.49Å; F109-T132 HydrophobicContact CE2-CG2 4.19Å; F109-F133 AromaticContact CD2-CD1 3.8Å; F109-F133 HydrophobicContact CD2-CD1 3.8Å; F109-F133 AromaticContact CD2-CE1 3.99Å; F109-F133 HydrophobicContact CD2-CE1 3.99Å; F109-F133 AromaticContact CE2-CD1 3.97Å; F109-F133 HydrophobicContact CE2-CD1 3.97Å; F109-F133 AromaticContact CE2-CE1 3.65Å; F109-F133 HydrophobicContact CE2-CE1 3.65Å; F109-L136 HydrophobicContact CB-CD1 4.05Å; F109-L136 HydrophobicContact CB-CD2 3.89Å; F109-L136 HydrophobicContact CB-CG 4.24Å; F109-L136 HydrophobicContact CG-CD1 4.44Å
110	A	94.5	Very high	95.5	Very high	29 Å²	29	36.1 Å²	36.1	24%	0.24	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	139.7	178.2	0	0	0	0	0	111.7	S86 D107	S86-A110 WeakPolarHBondContact CA-O 3.36Å; D107-A110 HydrophobicContact CB-CB 4.06Å; D107-A110 WeakPolarHBondContact O-CB 3.39Å; D107-A110 PolarHBondContact O-N 2.92Å
111	G	91.6	Very high	95.7	Very high	37 Å²	37	34.3 Å²	34.3	38%	0.381	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-5.7	-177.7	0	0	0	0	0	115	H89 F109 S113	H89-G111 PolarHBondContact ND1-O 2.88Å; F109-G111 PolarHBondContact O-N 2.87Å; G111-S113 PolarHBondContact O-N 2.79Å
112	L	95.1	Very high	95.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.212	C	C	.	.			trans	-92.2	57.5	177.2	-58.3	-171.6	0	0	0	112.7	F85 L88 L91 L94 F109 H114 L115 L136	F85-L112 HydrophobicContact CB-CD1 3.85Å; F85-L112 HydrophobicContact CB-CD2 4.02Å; F85-L112 HydrophobicContact CB-CG 4.21Å; F85-L112 WeakPolarHBondContact O-CD2 3.14Å; L88-L112 HydrophobicContact CB-CD2 4.42Å; L88-L112 VanDerWaalsContact O-CD2 3.23Å; L88-L112 WeakPolarHBondContact O-CD2 3.04Å; L91-L112 HydrophobicContact CB-CD2 4.05Å; L91-L112 HydrophobicContact CD2-CD1 4.16Å; L91-L112 HydrophobicContact CD2-CD2 4.41Å; L94-L112 HydrophobicContact CD2-CD1 4.35Å; F109-L112 HydrophobicContact CB-CD1 4.21Å; F109-L112 HydrophobicContact CD1-CD1 4.27Å; F109-L112 WeakPolarHBondContact O-CB 3.5Å; F109-L112 WeakPolarHBondContact O-CG 3.24Å; F109-L112 PolarHBondContact O-N 2.84Å; L112-H114 PolarHBondContact O-N 2.83Å; L112-L115 HydrophobicContact CB-CB 4.09Å; L112-L115 HydrophobicContact CD1-CD1 4.45Å; L112-L115 HydrophobicContact CD1-CD2 3.99Å; L112-L115 WeakPolarHBondContact O-CB 3.38Å; L112-L115 PolarHBondContact O-N 2.91Å; L112-L136 HydrophobicContact CB-CD2 3.9Å
113	S	92.4	Very high	95.9	Very high	56 Å²	56	35.2 Å²	35.2	39%	0.392	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.1	-174	58.9	0	0	0	0	114.9	G111 S138	G111-S113 PolarHBondContact O-N 2.79Å; S113-S138 WeakPolarHBondContact O-CB 3.45Å; S113-S138 PolarHBondContact O-OG 2.84Å; S113-S138 VanDerWaalsContact O-OG 3.08Å
114	H	95.1	Very high	96	Very high	92 Å²	92	34.7 Å²	34.7	43%	0.426	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	3.1	-179.2	-59.3	97.9	0	0	0	113.5	H89 L91 L112 Q116	H89-H114 PolarHBondContact O-ND1 2.87Å; L91-H114 CarbonylContact O-C 3.15Å; L91-H114 VanDerWaalsContact O-C 3.26Å; L112-H114 PolarHBondContact O-N 2.83Å; H114-Q116 PolarHBondContact O-N 2.8Å
115	L	97	Very high	96	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.			trans	-68.9	124.9	-176	-163	73.9	0	0	0	110.3	L91 L94 L112 L118 L136 S138 L139	L91-L115 HydrophobicContact CB-CD1 4.17Å; L91-L115 HydrophobicContact CD2-CD1 3.97Å; L91-L115 HydrophobicContact CG-CD1 3.93Å; L91-L115 VanDerWaalsContact O-CA 3.27Å; L91-L115 WeakPolarHBondContact O-CA 3.48Å; L91-L115 PolarHBondContact O-N 2.8Å; L91-L115 VanDerWaalsContact O-N 3.16Å; L94-L115 HydrophobicContact CB-CD1 3.95Å; L94-L115 HydrophobicContact CB-CD2 4.47Å; L112-L115 HydrophobicContact CB-CB 4.09Å; L112-L115 HydrophobicContact CD1-CD1 4.45Å; L112-L115 HydrophobicContact CD1-CD2 3.99Å; L112-L115 WeakPolarHBondContact O-CB 3.38Å; L112-L115 PolarHBondContact O-N 2.91Å; L115-L118 HydrophobicContact CD2-CB 3.97Å; L115-L118 HydrophobicContact CD2-CD1 4.27Å; L115-L118 HydrophobicContact CD2-CD2 4.31Å; L115-L118 HydrophobicContact CD2-CG 4.42Å; L115-L136 HydrophobicContact CB-CD2 4.27Å; L115-L136 HydrophobicContact CD2-CD1 4.4Å; L115-L136 HydrophobicContact CD2-CD2 4.07Å; L115-S138 CarbonylContact O-C 3.16Å; L115-L139 HydrophobicContact CD2-CD1 4.22Å; L115-L139 HydrophobicContact CG-CD1 4.22Å; L115-L139 WeakPolarHBondContact O-CA 3.45Å; L115-L139 PolarHBondContact O-N 3.32Å; L115-L139 VanDerWaalsContact O-N 3.16Å
116	Q	97.5	Very high	95.9	Very high	73 Å²	73	38.2 Å²	38.2	34%	0.341	20%	0.204	S	C	.	.			trans	-108	-36.9	-179	-68	176.9	-0.4	0	0	111.7	Q92 H114 S138 T140 H141	Q92-Q116 PolarHBondContact O-N 3.2Å; H114-Q116 PolarHBondContact O-N 2.8Å; Q116-S138 WeakPolarHBondContact CA-O 3.23Å; Q116-T140 PolarHBondContact O-N 3.22Å; Q116-T140 PolarHBondContact O-OG1 2.75Å; Q116-H141 PolarHBondContact O-N 2.87Å
117	Y	98.2	Very high	95.8	Very high	79 Å²	79	37.8 Å²	37.8	31%	0.31	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118	-177.1	-57.4	-92.4	0	0	0	109.7	Q92 F93 L94 F119 H141	Q92-Y117 PolarHBondContact O-N 3.25Å; F93-Y117 WeakPolarHBondContact CA-O 3.45Å; F93-Y117 VanDerWaalsContact CD2-CB 3.5Å; F93-Y117 HydrophobicContact CD2-CD2 4.34Å; F93-Y117 AromaticContact CD2-CG 3.98Å; F93-Y117 HydrophobicContact CD2-CG 3.98Å; L94-Y117 PolarHBondContact N-O 2.83Å; Y117-F119 AromaticContact CD1-CZ 3.99Å; Y117-F119 HydrophobicContact CD1-CZ 3.99Å; Y117-H141 HydrophobicContact CD1-CB 3.62Å; Y117-H141 AromaticContact CD1-CG 3.61Å; Y117-H141 AromaticContact CD1-ND1 3.76Å; Y117-H141 HydrophobicContact CE1-CB 4.08Å; Y117-H141 AromaticContact CE1-CD2 3.91Å; Y117-H141 AromaticContact CE1-CE1 3.62Å; Y117-H141 AromaticContact CE1-CG 3.52Å; Y117-H141 AromaticContact CE1-ND1 3.29Å; Y117-H141 VanDerWaalsContact CE1-ND1 3.29Å; Y117-H141 WeakPolarHBondContact CE1-ND1 3.4Å; Y117-H141 AromaticContact CE1-NE2 3.93Å; Y117-H141 HydrophobicContact CG-CB 4.49Å; Y117-H141 AromaticContact CZ-ND1 3.99Å
118	L	97.8	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.1	174.6	178.1	56.7	0	0	0	109.7	L94 F109 L115 I120 F133 L136 L139 H141 L142 S143	L94-L118 HydrophobicContact CB-CD1 3.97Å; L94-L118 HydrophobicContact CD2-CD1 3.86Å; L94-L118 HydrophobicContact CG-CD1 3.93Å; F109-L118 HydrophobicContact CD1-CD1 4.44Å; F109-L118 HydrophobicContact CD1-CD2 4.49Å; F109-L118 HydrophobicContact CD2-CD2 4.28Å; F109-L118 HydrophobicContact CE1-CD1 4Å; F109-L118 HydrophobicContact CE1-CD2 4.43Å; F109-L118 HydrophobicContact CE2-CD2 4.23Å; F109-L118 HydrophobicContact CG-CD2 4.42Å; F109-L118 HydrophobicContact CZ-CD1 4.31Å; F109-L118 HydrophobicContact CZ-CD2 4.31Å; L115-L118 HydrophobicContact CD2-CB 3.97Å; L115-L118 HydrophobicContact CD2-CD1 4.27Å; L115-L118 HydrophobicContact CD2-CD2 4.31Å; L115-L118 HydrophobicContact CD2-CG 4.42Å; L118-I120 HydrophobicContact CD1-CD1 4.2Å; L118-I120 HydrophobicContact CD1-CG1 3.93Å; L118-I120 HydrophobicContact CD2-CD1 4.28Å; L118-I120 HydrophobicContact CG-CD1 4.22Å; L118-I120 HydrophobicContact CG-CG1 4.11Å; L118-F133 HydrophobicContact CD2-CD1 3.85Å; L118-F133 HydrophobicContact CD2-CE1 3.65Å; L118-L136 HydrophobicContact CD2-CD1 3.75Å; L118-L139 HydrophobicContact CB-CD1 3.64Å; L118-L139 HydrophobicContact CB-CD2 4.38Å; L118-H141 PolarHBondContact N-O 3.22Å; L118-L142 HydrophobicContact CB-CD1 4.21Å; L118-L142 HydrophobicContact CD2-CD1 4.16Å; L118-L142 HydrophobicContact CG-CD1 4.1Å; L118-L142 WeakPolarHBondContact O-CA 3.46Å; L118-S143 PolarHBondContact O-N 3.48Å
119	F	98.3	Very high	95.6	Very high	44 Å²	44	38.7 Å²	38.7	19%	0.193	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112	-179.1	-59.1	-28.3	0	0	0	109.4	F93 L94 L95 L96 Y117 E121 H141	F93-F119 AromaticContact CE2-CD2 3.85Å; F93-F119 HydrophobicContact CE2-CD2 3.85Å; F93-F119 AromaticContact CE2-CE2 3.57Å; F93-F119 HydrophobicContact CE2-CE2 3.57Å; F93-F119 AromaticContact CZ-CD2 3.88Å; F93-F119 HydrophobicContact CZ-CD2 3.88Å; F93-F119 HydrophobicContact CZ-CE2 4.03Å; L94-F119 PolarHBondContact O-N 2.91Å; L95-F119 CarbonylContact C-O 3.57Å; L95-F119 WeakPolarHBondContact CA-O 3.4Å; L95-F119 HydrophobicContact CD1-CB 3.44Å; L95-F119 VanDerWaalsContact CD1-CB 3.44Å; L95-F119 HydrophobicContact CD1-CD2 4.17Å; L95-F119 HydrophobicContact CD1-CG 4.32Å; L96-F119 PolarHBondContact N-O 3.27Å; Y117-F119 AromaticContact CD1-CZ 3.99Å; Y117-F119 HydrophobicContact CD1-CZ 3.99Å; F119-E121 HydrophobicContact CB-CG 4.24Å; F119-H141 HydrophobicContact CE1-CB 3.91Å; F119-H141 HydrophobicContact CZ-CB 4.3Å
120	I	97.3	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	84.5	177.5	-48.3	175.4	0	0	0	106.9	L96 F109 L118 I125 F133 S143 L144 N147	L96-I120 HydrophobicContact CB-CG2 4.42Å; L96-I120 HydrophobicContact CD1-CG1 4.36Å; F109-I120 HydrophobicContact CE2-CD1 3.99Å; F109-I120 HydrophobicContact CZ-CD1 3.58Å; L118-I120 HydrophobicContact CD1-CD1 4.2Å; L118-I120 HydrophobicContact CD1-CG1 3.93Å; L118-I120 HydrophobicContact CD2-CD1 4.28Å; L118-I120 HydrophobicContact CG-CD1 4.22Å; L118-I120 HydrophobicContact CG-CG1 4.11Å; I120-I125 HydrophobicContact CG2-CD1 3.62Å; I120-F133 HydrophobicContact CD1-CE1 4.08Å; I120-F133 HydrophobicContact CD1-CZ 4.36Å; I120-S143 PolarHBondContact N-O 2.53Å; I120-L144 HydrophobicContact CB-CD2 4.06Å; I120-L144 HydrophobicContact CD1-CD2 4.11Å; I120-L144 HydrophobicContact CG1-CD2 4.4Å; I120-L144 WeakPolarHBondContact O-CA 3.31Å; I120-N147 PolarHBondContact O-ND2 2.85Å
121	E	97.3	Very high	95.4	Very high	42 Å²	42	44.8 Å²	44.8	20%	0.196	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.1	-165.4	-57.4	-175.5	150.3	0	0	111.8	L96 N97 S98 F119 N123 S143 S145	L96-E121 PolarHBondContact O-N 2.84Å; L96-E121 VanDerWaalsContact O-N 3.07Å; N97-E121 VanDerWaalsContact CA-O 3.29Å; N97-E121 WeakPolarHBondContact CA-O 3.32Å; N97-E121 PolarHBondContact OD1-O 2.98Å; S98-E121 PolarHBondContact N-O 2.93Å; S98-E121 VanDerWaalsContact N-O 3.09Å; F119-E121 HydrophobicContact CB-CG 4.24Å; E121-N123 PolarHBondContact N-ND2 3.17Å; E121-N123 PolarHBondContact O-N 2.93Å; E121-N123 PolarHBondContact O-ND2 2.98Å; E121-S143 WeakPolarHBondContact CG-OG 3.25Å; E121-S143 WeakPolarHBondContact OE1-CB 3.46Å; E121-S143 PolarHBondContact OE1-OG 3Å; E121-S145 VanDerWaalsContact CA-O 3.31Å; E121-S145 WeakPolarHBondContact CA-O 3.2Å; E121-S145 PolarHBondContact OE1-OG 2.8Å
122	N	97	Very high	95.5	Very high	66 Å²	66	43 Å²	43	35%	0.353	22%	0.221	S	C	.	.	S	Bend	trans	55.1	52.5	176.1	-52.7	-75.1	0	0	0	112.2	N97 S98 S145 N146	N97-N122 PolarHBondContact OD1-ND2 3.21Å; S98-N122 VanDerWaalsContact CA-O 3.28Å; S98-N122 WeakPolarHBondContact CA-O 3.27Å; S98-N122 PolarHBondContact N-O 2.95Å; N122-S145 PolarHBondContact N-O 2.98Å; N122-S145 VanDerWaalsContact N-O 3.08Å; N122-N146 WeakPolarHBondContact CA-O 3.37Å; N122-N146 PolarHBondContact N-O 3.15Å; N122-N146 WeakPolarHBondContact OD1-CB 3.22Å; N122-N146 PolarHBondContact OD1-ND2 2.98Å
123	N	96.1	Very high	95.5	Very high	12 Å²	12	43 Å²	43	6%	0.064	22%	0.221	C	C	.	.	S	Bend	trans	-122.7	-171.3	170.5	-48.8	-92.6	0	0	0	110.2	L96 N99 F101 E121 I125 N146 N147	L96-N123 PolarHBondContact O-ND2 3.25Å; N99-N123 VanDerWaalsContact C-OD1 3.27Å; N99-N123 VanDerWaalsContact CA-OD1 3.28Å; N99-N123 WeakPolarHBondContact CA-OD1 3.49Å; N99-N123 WeakPolarHBondContact CB-OD1 3.4Å; N99-N123 PolarHBondContact N-OD1 2.8Å; N99-N123 VanDerWaalsContact N-OD1 3.11Å; N99-N123 PolarHBondContact ND2-OD1 2.7Å; N99-N123 WeakPolarHBondContact O-CA 3.49Å; N99-N123 PolarHBondContact O-OD1 3.25Å; N99-N123 VanDerWaalsContact O-OD1 3.07Å; F101-N123 HydrophobicContact CB-CB 4.1Å; F101-N123 WeakPolarHBondContact CD2-OD1 3.36Å; E121-N123 PolarHBondContact N-ND2 3.17Å; E121-N123 PolarHBondContact O-N 2.93Å; E121-N123 PolarHBondContact O-ND2 2.98Å; N123-I125 HydrophobicContact CB-CD1 4.48Å; N123-I125 HydrophobicContact CB-CG1 4.29Å; N123-N146 PolarHBondContact N-O 3.02Å; N123-N147 WeakPolarHBondContact CA-OD1 3.4Å; N123-N147 VanDerWaalsContact CB-OD1 3.27Å; N123-N147 WeakPolarHBondContact CB-OD1 3.35Å; N123-N147 PolarHBondContact N-OD1 2.88Å; N123-N147 WeakPolarHBondContact O-CA 3.22Å; N123-N147 PolarHBondContact O-OD1 2.79Å
124	D	95.4	Very high	95.5	Very high	61 Å²	61	46.3 Å²	46.3	33%	0.326	23%	0.225	S	C	.	.			trans	-116	39	-176.6	-169.9	24	0	0	0	111.9	F101 T102 Q126 N148	F101-D124 CarbonylContact O-C 3.54Å; F101-D124 WeakPolarHBondContact O-CA 3.13Å; F101-D124 PolarHBondContact O-N 2.87Å; T102-D124 HydrophobicContact CG2-CB 4.15Å; D124-Q126 PolarHBondContact O-N 3.22Å; D124-N148 PolarHBondContact OD1-ND2 2.96Å
125	I	96.6	Very high	95.2	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.22	C	C	.	.			trans	-78.7	120.3	-178.5	-55.5	169.4	0	0	0	108.9	F101 V104 I120 N123 A127 L128 N147 N148 L149	F101-I125 HydrophobicContact CB-CD1 4.48Å; F101-I125 HydrophobicContact CB-CG1 4.3Å; F101-I125 WeakPolarHBondContact O-CG1 3.45Å; F101-I125 PolarHBondContact O-N 2.93Å; V104-I125 HydrophobicContact CG2-CD1 3.7Å; V104-I125 HydrophobicContact CG2-CG1 4.37Å; I120-I125 HydrophobicContact CG2-CD1 3.62Å; N123-I125 HydrophobicContact CB-CD1 4.48Å; N123-I125 HydrophobicContact CB-CG1 4.29Å; I125-A127 WeakPolarHBondContact CG2-O 3.35Å; I125-L128 HydrophobicContact CG2-CD2 3.79Å; I125-L128 HydrophobicContact CG2-CG 4.33Å; I125-N147 HydrophobicContact CB-CB 4.35Å; I125-N148 CarbonylContact O-C 3.59Å; I125-N148 WeakPolarHBondContact O-CA 3.49Å; I125-N148 PolarHBondContact O-N 2.8Å; I125-L149 HydrophobicContact CB-CD2 4.43Å; I125-L149 HydrophobicContact CG2-CD2 3.87Å; I125-L149 WeakPolarHBondContact O-CD2 3.43Å; I125-L149 PolarHBondContact O-N 2.8Å; I125-L149 VanDerWaalsContact O-N 3.12Å
126	Q	93.4	Very high	95	Very high	110 Å²	110	43.4 Å²	43.4	51%	0.514	22%	0.22	S	C	.	.			trans	-95.7	-29.4	-178.9	-64.2	-178.1	9	0	0	113.7	D124 N148 L149 Q150	D124-Q126 PolarHBondContact O-N 3.22Å; Q126-N148 WeakPolarHBondContact CA-O 3.45Å; Q126-N148 HydrophobicContact CG-CB 4.21Å; Q126-L149 WeakPolarHBondContact O-CA 3.48Å; Q126-Q150 PolarHBondContact O-N 2.8Å
127	A	92.6	Very high	94.6	Very high	58 Å²	58	47.1 Å²	47.1	48%	0.479	24%	0.235	S	C	.	.			trans	-148.6	149.7	179.8	0	0	0	0	0	110.7	I125	I125-A127 WeakPolarHBondContact CG2-O 3.35Å
128	L	94.9	Very high	94.5	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.063	23%	0.234	C	C	.	.			trans	-115.3	154.8	170.2	-64.6	174.1	0	0	0	108.8	V104 I125 T132 F133 L144 L149 L152 P153 L156	V104-L128 HydrophobicContact CB-CD2 4.13Å; V104-L128 HydrophobicContact CG2-CD2 4.18Å; I125-L128 HydrophobicContact CG2-CD2 3.79Å; I125-L128 HydrophobicContact CG2-CG 4.33Å; L128-T132 HydrophobicContact CD2-CG2 4.18Å; L128-F133 HydrophobicContact CD1-CE2 3.87Å; L128-F133 HydrophobicContact CD1-CZ 4.01Å; L128-L144 HydrophobicContact CD1-CD1 3.67Å; L128-L144 HydrophobicContact CD1-CD2 4.37Å; L128-L149 HydrophobicContact CD1-CD2 4.4Å; L128-L149 HydrophobicContact CG-CD2 4.02Å; L128-L152 HydrophobicContact CD1-CD2 4.13Å; L128-P153 WeakPolarHBondContact O-CG 3.23Å; L128-L156 HydrophobicContact CB-CD1 4.46Å; L128-L156 HydrophobicContact CD1-CD2 4.09Å
129	S	92.9	Very high	94.4	Very high	39 Å²	39	45.3 Å²	45.3	27%	0.273	23%	0.234	S	C	.	.			trans	-90.4	155.7	171.7	176.3	0	0	0	0	110.6	D106 H131 T132 L156	D106-S129 WeakPolarHBondContact OD1-CB 3.25Å; D106-S129 PolarHBondContact OD1-OG 3.42Å; S129-H131 PolarHBondContact O-N 3.31Å; S129-H131 PolarHBondContact OG-N 3.35Å; S129-T132 PolarHBondContact N-OG1 3.46Å; S129-T132 VanDerWaalsContact N-OG1 3.11Å; S129-T132 WeakPolarHBondContact O-CB 3.28Å; S129-T132 PolarHBondContact O-N 2.66Å; S129-T132 VanDerWaalsContact O-N 3.12Å; S129-T132 PolarHBondContact O-OG1 3.02Å; S129-T132 VanDerWaalsContact O-OG1 3.12Å; S129-L156 VanDerWaalsContact O-CD1 3.28Å; S129-L156 WeakPolarHBondContact O-CD1 3.39Å
130	K	92.1	Very high	94.3	Very high	105 Å²	105	44.4 Å²	44.4	46%	0.457	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-10.5	174.6	63.6	177.4	-177.8	-174.3	0	114.3	P153 E155 Y159	K130-P153 HydrophobicContact CB-CB 4.11Å; K130-E155 HydrophobicContact CB-CB 3.85Å; K130-E155 HydrophobicContact CD-CB 4.44Å; K130-Y159 VanDerWaalsContact O-CE2 3.27Å; K130-Y159 WeakPolarHBondContact O-CE2 3.36Å; K130-Y159 PolarHBondContact O-OH 2.75Å
131	H	94.6	Very high	94.3	Very high	52 Å²	52	46.7 Å²	46.7	24%	0.241	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	4.9	177.9	-56	-55.8	0	0	0	113.3	D106 D107 S129 F133 R134 Y159	D106-H131 HydrophobicContact CB-CB 4.06Å; D106-H131 IonicContact OD2-CD2 3.94Å; D107-H131 PolarHBondContact N-O 2.9Å; S129-H131 PolarHBondContact O-N 3.31Å; S129-H131 PolarHBondContact OG-N 3.35Å; H131-F133 PolarHBondContact O-N 2.87Å; H131-R134 WeakPolarHBondContact O-CB 3.42Å; H131-R134 PolarHBondContact O-N 2.87Å; H131-Y159 PolarHBondContact ND1-OH 2.93Å
132	T	94.6	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-43.5	-176.7	-64.4	0	0	0	0	113.2	V104 F109 L128 S129	V104-T132 HydrophobicContact CB-CG2 4.09Å; V104-T132 HydrophobicContact CG1-CG2 3.43Å; V104-T132 VanDerWaalsContact CG1-CG2 3.43Å; F109-T132 HydrophobicContact CD2-CG2 4.49Å; F109-T132 HydrophobicContact CE2-CG2 4.19Å; L128-T132 HydrophobicContact CD2-CG2 4.18Å; S129-T132 PolarHBondContact N-OG1 3.46Å; S129-T132 VanDerWaalsContact N-OG1 3.11Å; S129-T132 WeakPolarHBondContact O-CB 3.28Å; S129-T132 PolarHBondContact O-N 2.66Å; S129-T132 VanDerWaalsContact O-N 3.12Å; S129-T132 PolarHBondContact O-OG1 3.02Å; S129-T132 VanDerWaalsContact O-OG1 3.12Å
133	F	94.8	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	18.7	-177.6	-58.5	-52.4	0	0	0	114	F109 L118 I120 L128 H131 G135 L136 L142 L144 L156 F160	F109-F133 AromaticContact CD2-CD1 3.8Å; F109-F133 HydrophobicContact CD2-CD1 3.8Å; F109-F133 AromaticContact CD2-CE1 3.99Å; F109-F133 HydrophobicContact CD2-CE1 3.99Å; F109-F133 AromaticContact CE2-CD1 3.97Å; F109-F133 HydrophobicContact CE2-CD1 3.97Å; F109-F133 AromaticContact CE2-CE1 3.65Å; F109-F133 HydrophobicContact CE2-CE1 3.65Å; L118-F133 HydrophobicContact CD2-CD1 3.85Å; L118-F133 HydrophobicContact CD2-CE1 3.65Å; I120-F133 HydrophobicContact CD1-CE1 4.08Å; I120-F133 HydrophobicContact CD1-CZ 4.36Å; L128-F133 HydrophobicContact CD1-CE2 3.87Å; L128-F133 HydrophobicContact CD1-CZ 4.01Å; H131-F133 PolarHBondContact O-N 2.87Å; F133-G135 PolarHBondContact O-N 3.44Å; F133-L136 HydrophobicContact CB-CD1 4.02Å; F133-L136 HydrophobicContact CD1-CD1 3.85Å; F133-L136 HydrophobicContact CG-CD1 4.34Å; F133-L136 PolarHBondContact O-N 2.79Å; F133-L142 HydrophobicContact CD2-CD2 4.41Å; F133-L142 HydrophobicContact CE1-CD1 4.49Å; F133-L142 HydrophobicContact CE2-CD2 4.08Å; F133-L142 HydrophobicContact CZ-CD1 4.25Å; F133-L144 HydrophobicContact CE2-CD1 4.32Å; F133-L144 HydrophobicContact CZ-CD1 4.44Å; F133-L144 HydrophobicContact CZ-CD2 3.97Å; F133-L156 HydrophobicContact CD2-CD1 3.42Å; F133-L156 VanDerWaalsContact CD2-CD1 3.42Å; F133-L156 HydrophobicContact CD2-CD2 4.19Å; F133-L156 HydrophobicContact CD2-CG 3.75Å; F133-L156 HydrophobicContact CE2-CD1 3.81Å; F133-L156 HydrophobicContact CE2-CD2 3.99Å; F133-L156 HydrophobicContact CE2-CG 4.07Å; F133-L156 HydrophobicContact CG-CD1 4.39Å; F133-F160 HydrophobicContact CB-CE1 3.81Å; F133-F160 HydrophobicContact CB-CZ 3.62Å; F133-F160 HydrophobicContact CD2-CE2 4.25Å; F133-F160 AromaticContact CD2-CZ 3.56Å; F133-F160 HydrophobicContact CD2-CZ 3.56Å; F133-F160 HydrophobicContact CE2-CZ 4.45Å; F133-F160 HydrophobicContact CG-CE1 4.33Å; F133-F160 AromaticContact CG-CZ 3.75Å; F133-F160 HydrophobicContact CG-CZ 3.75Å
134	R	92.9	Very high	94.4	Very high	125 Å²	125	41.3 Å²	41.3	47%	0.472	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	129.5	-178	178.1	170.1	179.6	-153.1	6	110.6	D107 H131 Y159	D107-R134 VanDerWaalsContact OD1-CB 3.3Å; D107-R134 WeakPolarHBondContact OD1-CB 3.41Å; D107-R134 VanDerWaalsContact OD1-CD 3.25Å; D107-R134 WeakPolarHBondContact OD1-CD 3.35Å; D107-R134 WeakPolarHBondContact OD1-CG 3.42Å; D107-R134 IonicContact OD2-NH1 3.63Å; H131-R134 WeakPolarHBondContact O-CB 3.42Å; H131-R134 PolarHBondContact O-N 2.87Å; R134-Y159 HydrophobicContact CB-CD1 4.45Å; R134-Y159 HydrophobicContact CB-CE1 4.02Å; R134-Y159 HydrophobicContact CB-CE2 4.25Å; R134-Y159 HydrophobicContact CG-CD1 4.34Å; R134-Y159 HydrophobicContact CG-CE1 3.77Å
135	G	88.1	Confident	94.5	Very high	32 Å²	32	38.6 Å²	38.6	33%	0.33	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-4.6	177.6	0	0	0	0	0	115.8	F133 K137	F133-G135 PolarHBondContact O-N 3.44Å; G135-K137 PolarHBondContact O-N 2.59Å
136	L	93.1	Very high	94.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.			trans	-78.8	63.9	176.9	-61.5	-173.7	0	0	0	112.7	F109 L112 L115 L118 F133 S138 L139	F109-L136 HydrophobicContact CB-CD1 4.05Å; F109-L136 HydrophobicContact CB-CD2 3.89Å; F109-L136 HydrophobicContact CB-CG 4.24Å; F109-L136 HydrophobicContact CG-CD1 4.44Å; L112-L136 HydrophobicContact CB-CD2 3.9Å; L115-L136 HydrophobicContact CB-CD2 4.27Å; L115-L136 HydrophobicContact CD2-CD1 4.4Å; L115-L136 HydrophobicContact CD2-CD2 4.07Å; L118-L136 HydrophobicContact CD2-CD1 3.75Å; F133-L136 HydrophobicContact CB-CD1 4.02Å; F133-L136 HydrophobicContact CD1-CD1 3.85Å; F133-L136 HydrophobicContact CG-CD1 4.34Å; F133-L136 PolarHBondContact O-N 2.79Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 2.92Å; L136-L139 HydrophobicContact CB-CB 4.28Å; L136-L139 HydrophobicContact CD1-CD2 4.29Å; L136-L139 PolarHBondContact O-N 3.26Å
137	K	89.4	Confident	94.7	Very high	151 Å²	151	36.9 Å²	36.9	66%	0.657	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.2	-172.1	-61.7	-175.1	-179.7	-175.6	0	115.1	G135	G135-K137 PolarHBondContact O-N 2.59Å
138	S	94.4	Very high	94.8	Very high	40 Å²	40	37.4 Å²	37.4	28%	0.28	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	8.8	-176.9	-66.1	0	0	0	0	113.7	S113 L115 Q116 L136 T140	S113-S138 WeakPolarHBondContact O-CB 3.45Å; S113-S138 PolarHBondContact O-OG 2.84Å; S113-S138 VanDerWaalsContact O-OG 3.08Å; L115-S138 CarbonylContact O-C 3.16Å; Q116-S138 WeakPolarHBondContact CA-O 3.23Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 2.92Å; S138-T140 PolarHBondContact O-N 3Å
139	L	95.6	Very high	94.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.187	C	C	.	.			trans	-73	122.2	-173.4	-160.1	74.7	0	0	0	111.1	L115 L118 L136 L142 F160 L163	L115-L139 HydrophobicContact CD2-CD1 4.22Å; L115-L139 HydrophobicContact CG-CD1 4.22Å; L115-L139 WeakPolarHBondContact O-CA 3.45Å; L115-L139 PolarHBondContact O-N 3.32Å; L115-L139 VanDerWaalsContact O-N 3.16Å; L118-L139 HydrophobicContact CB-CD1 3.64Å; L118-L139 HydrophobicContact CB-CD2 4.38Å; L136-L139 HydrophobicContact CB-CB 4.28Å; L136-L139 HydrophobicContact CD1-CD2 4.29Å; L136-L139 PolarHBondContact O-N 3.26Å; L139-L142 HydrophobicContact CD2-CB 4.06Å; L139-L142 HydrophobicContact CD2-CD1 4.35Å; L139-F160 HydrophobicContact CB-CD1 4.49Å; L139-F160 HydrophobicContact CD2-CD1 4.19Å; L139-F160 HydrophobicContact CD2-CE1 3.61Å; L139-F160 HydrophobicContact CD2-CZ 4.08Å; L139-L163 HydrophobicContact CD2-CD1 4.45Å; L139-L163 HydrophobicContact CG-CD1 4.5Å
140	T	96.4	Very high	95	Very high	25 Å²	25	39.7 Å²	39.7	15%	0.153	20%	0.196	C	C	.	.			trans	-108.3	-33.6	178.1	56.7	0	0	0	0	111.7	Q116 S138 I162 L163 T164 D165	Q116-T140 PolarHBondContact O-N 3.22Å; Q116-T140 PolarHBondContact O-OG1 2.75Å; S138-T140 PolarHBondContact O-N 3Å; T140-I162 HydrophobicContact CG2-CD1 3.96Å; T140-I162 HydrophobicContact CG2-CG1 4.24Å; T140-L163 WeakPolarHBondContact O-CD1 3.46Å; T140-T164 PolarHBondContact O-N 2.76Å; T140-T164 PolarHBondContact O-OG1 3.32Å; T140-T164 VanDerWaalsContact O-OG1 3.09Å; T140-D165 PolarHBondContact O-N 2.78Å; T140-D165 VanDerWaalsContact O-N 3.13Å
141	H	97.8	Very high	95	Very high	48 Å²	48	37.5 Å²	37.5	22%	0.222	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.2	-179.2	-60.7	62.2	0	0	0	110.7	Q116 Y117 L118 F119 T164 D165	Q116-H141 PolarHBondContact O-N 2.87Å; Y117-H141 HydrophobicContact CD1-CB 3.62Å; Y117-H141 AromaticContact CD1-CG 3.61Å; Y117-H141 AromaticContact CD1-ND1 3.76Å; Y117-H141 HydrophobicContact CE1-CB 4.08Å; Y117-H141 AromaticContact CE1-CD2 3.91Å; Y117-H141 AromaticContact CE1-CE1 3.62Å; Y117-H141 AromaticContact CE1-CG 3.52Å; Y117-H141 AromaticContact CE1-ND1 3.29Å; Y117-H141 VanDerWaalsContact CE1-ND1 3.29Å; Y117-H141 WeakPolarHBondContact CE1-ND1 3.4Å; Y117-H141 AromaticContact CE1-NE2 3.93Å; Y117-H141 HydrophobicContact CG-CB 4.49Å; Y117-H141 AromaticContact CZ-ND1 3.99Å; L118-H141 PolarHBondContact N-O 3.22Å; F119-H141 HydrophobicContact CE1-CB 3.91Å; F119-H141 HydrophobicContact CZ-CB 4.3Å; H141-T164 PolarHBondContact CE1-OG1 3.34Å; H141-D165 WeakPolarHBondContact CA-O 3.27Å; H141-D165 IonicContact CD2-OD2 2.7Å; H141-D165 IonicContact CE1-OD2 3.31Å; H141-D165 IonicContact NE2-OD2 3.61Å; H141-D165 PolarHBondContact NE2-OD2 2.74Å
142	L	97.3	Very high	94.9	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.9	174.5	177.8	58.7	0	0	0	109.7	L118 F133 L139 L144 F160 L163 D165 L166 D167	L118-L142 HydrophobicContact CB-CD1 4.21Å; L118-L142 HydrophobicContact CD2-CD1 4.16Å; L118-L142 HydrophobicContact CG-CD1 4.1Å; L118-L142 WeakPolarHBondContact O-CA 3.46Å; F133-L142 HydrophobicContact CD2-CD2 4.41Å; F133-L142 HydrophobicContact CE1-CD1 4.49Å; F133-L142 HydrophobicContact CE2-CD2 4.08Å; F133-L142 HydrophobicContact CZ-CD1 4.25Å; L139-L142 HydrophobicContact CD2-CB 4.06Å; L139-L142 HydrophobicContact CD2-CD1 4.35Å; L142-L144 HydrophobicContact CD1-CD2 4.14Å; L142-L144 HydrophobicContact CD1-CG 4.21Å; L142-L144 HydrophobicContact CD2-CD1 4.36Å; L142-L144 HydrophobicContact CG-CG 4.24Å; L142-F160 HydrophobicContact CD2-CE2 3.66Å; L142-F160 HydrophobicContact CD2-CZ 3.71Å; L142-L163 HydrophobicContact CB-CD1 3.89Å; L142-D165 PolarHBondContact N-O 3.05Å; L142-L166 HydrophobicContact CB-CD1 4.09Å; L142-L166 HydrophobicContact CD2-CD1 3.92Å; L142-L166 HydrophobicContact CG-CD1 3.98Å; L142-L166 CarbonylContact O-C 3.46Å; L142-L166 VanDerWaalsContact O-CA 3.29Å; L142-L166 WeakPolarHBondContact O-CA 3.12Å; L142-D167 PolarHBondContact O-N 3.31Å
143	S	97.8	Very high	94.7	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.1	169.3	-177	0	0	0	0	109.8	L118 I120 E121 S145	L118-S143 PolarHBondContact O-N 3.48Å; I120-S143 PolarHBondContact N-O 2.53Å; E121-S143 WeakPolarHBondContact CG-OG 3.25Å; E121-S143 WeakPolarHBondContact OE1-CB 3.46Å; E121-S143 PolarHBondContact OE1-OG 3Å; S143-S145 PolarHBondContact OG-N 2.86Å; S143-S145 PolarHBondContact OG-OG 2.68Å
144	L	97.3	Very high	94.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.214	C	C	.	.			trans	-118.9	27.9	169.5	-57.6	173	0	0	0	109.9	I120 L128 F133 L142 N147 L149 L152 D167 L168 N171	I120-L144 HydrophobicContact CB-CD2 4.06Å; I120-L144 HydrophobicContact CD1-CD2 4.11Å; I120-L144 HydrophobicContact CG1-CD2 4.4Å; I120-L144 WeakPolarHBondContact O-CA 3.31Å; L128-L144 HydrophobicContact CD1-CD1 3.67Å; L128-L144 HydrophobicContact CD1-CD2 4.37Å; F133-L144 HydrophobicContact CE2-CD1 4.32Å; F133-L144 HydrophobicContact CZ-CD1 4.44Å; F133-L144 HydrophobicContact CZ-CD2 3.97Å; L142-L144 HydrophobicContact CD1-CD2 4.14Å; L142-L144 HydrophobicContact CD1-CG 4.21Å; L142-L144 HydrophobicContact CD2-CD1 4.36Å; L142-L144 HydrophobicContact CG-CG 4.24Å; L144-N147 VanDerWaalsContact C-ND2 3.25Å; L144-N147 PolarHBondContact O-ND2 2.69Å; L144-L149 HydrophobicContact CB-CD1 3.95Å; L144-L149 HydrophobicContact CD1-CD1 4.1Å; L144-L152 HydrophobicContact CD1-CD2 4.24Å; L144-D167 PolarHBondContact N-O 3.44Å; L144-L168 HydrophobicContact CB-CD2 3.99Å; L144-L168 HydrophobicContact CD1-CD2 4.02Å; L144-L168 HydrophobicContact CG-CD2 4.42Å; L144-N171 PolarHBondContact O-ND2 3.3Å
145	S	97.7	Very high	94	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.028	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	149	-173	71.2	0	0	0	0	112.6	E121 N122 S143 N147 R169	E121-S145 VanDerWaalsContact CA-O 3.31Å; E121-S145 WeakPolarHBondContact CA-O 3.2Å; E121-S145 PolarHBondContact OE1-OG 2.8Å; N122-S145 PolarHBondContact N-O 2.98Å; N122-S145 VanDerWaalsContact N-O 3.08Å; S143-S145 PolarHBondContact OG-N 2.86Å; S143-S145 PolarHBondContact OG-OG 2.68Å; S145-N147 VanDerWaalsContact C-N 3.27Å; S145-N147 PolarHBondContact O-N 3.33Å; S145-N147 PolarHBondContact O-ND2 3.18Å; S145-R169 CarbonylContact C-O 3.57Å; S145-R169 WeakPolarHBondContact CA-O 3.4Å
146	N	97.3	Very high	94	Very high	76 Å²	76	39.9 Å²	39.9	41%	0.406	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	44.4	178.7	-52.7	-60.5	0	0	0	112.7	N122 N123 R169	N122-N146 WeakPolarHBondContact CA-O 3.37Å; N122-N146 PolarHBondContact N-O 3.15Å; N122-N146 WeakPolarHBondContact OD1-CB 3.22Å; N122-N146 PolarHBondContact OD1-ND2 2.98Å; N123-N146 PolarHBondContact N-O 3.02Å; N146-R169 PolarHBondContact N-O 3.32Å
147	N	96.8	Very high	93.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.196	C	C	.	.	S	Bend	trans	-102.9	-171.7	162	-69.1	-83.2	0	0	0	109	I120 N123 I125 L144 S145 L149 N171	I120-N147 PolarHBondContact O-ND2 2.85Å; N123-N147 WeakPolarHBondContact CA-OD1 3.4Å; N123-N147 VanDerWaalsContact CB-OD1 3.27Å; N123-N147 WeakPolarHBondContact CB-OD1 3.35Å; N123-N147 PolarHBondContact N-OD1 2.88Å; N123-N147 WeakPolarHBondContact O-CA 3.22Å; N123-N147 PolarHBondContact O-OD1 2.79Å; I125-N147 HydrophobicContact CB-CB 4.35Å; L144-N147 VanDerWaalsContact C-ND2 3.25Å; L144-N147 PolarHBondContact O-ND2 2.69Å; S145-N147 VanDerWaalsContact C-N 3.27Å; S145-N147 PolarHBondContact O-N 3.33Å; S145-N147 PolarHBondContact O-ND2 3.18Å; N147-L149 HydrophobicContact CB-CG 4.16Å; N147-N171 WeakPolarHBondContact CA-OD1 3.47Å; N147-N171 VanDerWaalsContact CB-OD1 3.28Å; N147-N171 WeakPolarHBondContact CB-OD1 3.07Å; N147-N171 WeakPolarHBondContact O-CA 3.14Å; N147-N171 PolarHBondContact O-OD1 3.25Å; N147-N171 VanDerWaalsContact O-OD1 3.11Å
148	N	95.6	Very high	93.3	Very high	68 Å²	68	40.1 Å²	40.1	36%	0.364	19%	0.194	S	C	.	.			trans	-110.5	33.9	177	-75.7	-39.6	0	0	0	112	D124 I125 Q126 Q150	D124-N148 PolarHBondContact OD1-ND2 2.96Å; I125-N148 CarbonylContact O-C 3.59Å; I125-N148 WeakPolarHBondContact O-CA 3.49Å; I125-N148 PolarHBondContact O-N 2.8Å; Q126-N148 WeakPolarHBondContact CA-O 3.45Å; Q126-N148 HydrophobicContact CG-CB 4.21Å; N148-Q150 PolarHBondContact O-N 2.78Å
149	L	96.8	Very high	92.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.19	C	C	.	.			trans	-64.5	125.9	-177.2	-62.5	168	0	0	0	110.1	I125 Q126 L128 L144 N147 L152 N171 S172 F173	I125-L149 HydrophobicContact CB-CD2 4.43Å; I125-L149 HydrophobicContact CG2-CD2 3.87Å; I125-L149 WeakPolarHBondContact O-CD2 3.43Å; I125-L149 PolarHBondContact O-N 2.8Å; I125-L149 VanDerWaalsContact O-N 3.12Å; Q126-L149 WeakPolarHBondContact O-CA 3.48Å; L128-L149 HydrophobicContact CD1-CD2 4.4Å; L128-L149 HydrophobicContact CG-CD2 4.02Å; L144-L149 HydrophobicContact CB-CD1 3.95Å; L144-L149 HydrophobicContact CD1-CD1 4.1Å; N147-L149 HydrophobicContact CB-CG 4.16Å; L149-L152 HydrophobicContact CD1-CD2 4.04Å; L149-N171 HydrophobicContact CB-CB 4.14Å; L149-N171 WeakPolarHBondContact CB-OD1 3.26Å; L149-N171 VanDerWaalsContact CG-OD1 3.3Å; L149-N171 WeakPolarHBondContact CG-OD1 3.15Å; L149-N171 PolarHBondContact N-OD1 2.82Å; L149-S172 CarbonylContact O-C 3.57Å; L149-S172 VanDerWaalsContact O-C 3.23Å; L149-S172 PolarHBondContact O-N 3.27Å; L149-F173 HydrophobicContact CB-CE1 4.31Å; L149-F173 PolarHBondContact O-N 3.16Å
150	Q	94.6	Very high	92	Very high	98 Å²	98	41.5 Å²	41.5	46%	0.458	19%	0.194	S	C	.	.	S	Bend	trans	-94.7	-25.2	174.8	-62.8	-177.6	7.6	0	0	112.3	Q126 N148 S172 F173 R174	Q126-Q150 PolarHBondContact O-N 2.8Å; N148-Q150 PolarHBondContact O-N 2.78Å; Q150-S172 WeakPolarHBondContact CA-O 3.48Å; Q150-F173 WeakPolarHBondContact O-CA 3.19Å; Q150-R174 PolarHBondContact O-N 3.08Å
151	L	91.9	Very high	91.3	Very high	59 Å²	59	46.8 Å²	46.8	31%	0.309	22%	0.222	S	C	.	.			trans	-154.2	162.3	178.9	63.2	87.8	0	0	0	110.4	K178	L151-K178 HydrophobicContact CD2-CD 4.22Å
152	L	92.2	Very high	91	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	23%	0.233	C	C	.	.			trans	-119.2	135.3	168.5	-69.7	172.9	0	0	0	108.9	L128 L144 L149 L156 F157 L168 F173 W181 L182	L128-L152 HydrophobicContact CD1-CD2 4.13Å; L144-L152 HydrophobicContact CD1-CD2 4.24Å; L149-L152 HydrophobicContact CD1-CD2 4.04Å; L152-L156 HydrophobicContact CB-CD2 4.46Å; L152-L156 HydrophobicContact CD2-CD2 3.77Å; L152-F157 HydrophobicContact CD1-CE1 4.35Å; L152-F157 HydrophobicContact CD1-CZ 3.86Å; L152-L168 HydrophobicContact CD1-CD1 3.62Å; L152-L168 HydrophobicContact CD1-CD2 3.85Å; L152-L168 HydrophobicContact CD1-CG 4.4Å; L152-F173 HydrophobicContact CD1-CE1 4.34Å; L152-F173 HydrophobicContact CD1-CZ 4.44Å; L152-F173 HydrophobicContact CG-CE1 4.16Å; L152-W181 HydrophobicContact CB-CH2 4.36Å; L152-W181 HydrophobicContact CB-CZ2 3.67Å; L152-W181 VanDerWaalsContact O-CZ2 3.28Å; L152-W181 WeakPolarHBondContact O-CZ2 3.26Å; L152-W181 PolarHBondContact O-NE1 2.79Å; L152-L182 HydrophobicContact CD1-CD2 4.37Å
153	P	90.6	Very high	90.8	Very high	27 Å²	27	49.2 Å²	49.2	18%	0.175	24%	0.235	C	C	.	.			trans	-65.1	136.7	172.8	-18.3	29.6	0	0	0	111.4	L128 K130 E155 L156 W181	L128-P153 WeakPolarHBondContact O-CG 3.23Å; K130-P153 HydrophobicContact CB-CB 4.11Å; P153-E155 VanDerWaalsContact C-N 3.3Å; P153-E155 PolarHBondContact O-N 2.94Å; P153-L156 HydrophobicContact CB-CB 4.38Å; P153-L156 WeakPolarHBondContact O-CB 3.46Å; P153-L156 PolarHBondContact O-N 2.9Å; P153-W181 WeakPolarHBondContact O-CZ2 3.49Å
154	R	86.7	Confident	90.7	Very high	151 Å²	151	52.1 Å²	52.1	57%	0.57	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-53.5	-44.2	178.8	-178.3	178.5	-179.6	178.2	0.2	114	L156 W181	R154-L156 PolarHBondContact O-N 3.38Å; R154-W181 VanDerWaalsContact CA-CE2 3.43Å; R154-W181 HydrophobicContact CB-CB 4.38Å; R154-W181 HydrophobicContact CB-CD2 3.89Å; R154-W181 HydrophobicContact CB-CE3 4.5Å; R154-W181 HydrophobicContact CB-CG 3.78Å; R154-W181 HydrophobicContact CG-CB 4Å; R154-W181 HydrophobicContact CG-CD2 3.98Å; R154-W181 HydrophobicContact CG-CE3 4.24Å; R154-W181 HydrophobicContact CG-CG 3.84Å
155	E	87.2	Confident	90.7	Very high	77 Å²	77	54.9 Å²	54.9	36%	0.36	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-75.4	-4.2	-177.1	-63.5	-61.3	126.1	0	0	113.2	K130 P153 F157 K158	K130-E155 HydrophobicContact CB-CB 3.85Å; K130-E155 HydrophobicContact CD-CB 4.44Å; P153-E155 VanDerWaalsContact C-N 3.3Å; P153-E155 PolarHBondContact O-N 2.94Å; E155-F157 VanDerWaalsContact C-N 3.27Å; E155-F157 PolarHBondContact O-N 2.91Å; E155-K158 WeakPolarHBondContact O-CB 3.06Å; E155-K158 PolarHBondContact O-N 2.92Å; E155-K158 VanDerWaalsContact OE2-CD 3.22Å; E155-K158 WeakPolarHBondContact OE2-CD 3.35Å; E155-K158 IonicContact OE2-NZ 3.71Å
156	L	87.5	Confident	90.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.3	-37.8	178.7	-170.6	71.8	0	0	0	111.6	L128 S129 F133 L152 P153 R154	L128-L156 HydrophobicContact CB-CD1 4.46Å; L128-L156 HydrophobicContact CD1-CD2 4.09Å; S129-L156 VanDerWaalsContact O-CD1 3.28Å; S129-L156 WeakPolarHBondContact O-CD1 3.39Å; F133-L156 HydrophobicContact CD2-CD1 3.42Å; F133-L156 VanDerWaalsContact CD2-CD1 3.42Å; F133-L156 HydrophobicContact CD2-CD2 4.19Å; F133-L156 HydrophobicContact CD2-CG 3.75Å; F133-L156 HydrophobicContact CE2-CD1 3.81Å; F133-L156 HydrophobicContact CE2-CD2 3.99Å; F133-L156 HydrophobicContact CE2-CG 4.07Å; F133-L156 HydrophobicContact CG-CD1 4.39Å; L152-L156 HydrophobicContact CB-CD2 4.46Å; L152-L156 HydrophobicContact CD2-CD2 3.77Å; P153-L156 HydrophobicContact CB-CB 4.38Å; P153-L156 WeakPolarHBondContact O-CB 3.46Å; P153-L156 PolarHBondContact O-N 2.9Å; R154-L156 PolarHBondContact O-N 3.38Å
157	F	84.4	Confident	90.6	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-88.4	-3.5	-175.6	-64.2	-3.9	0	0	0	113.7	L152 E155 Y159 F160 L166 W181 L182 W185	L152-F157 HydrophobicContact CD1-CE1 4.35Å; L152-F157 HydrophobicContact CD1-CZ 3.86Å; E155-F157 VanDerWaalsContact C-N 3.27Å; E155-F157 PolarHBondContact O-N 2.91Å; F157-Y159 PolarHBondContact O-N 3.13Å; F157-Y159 VanDerWaalsContact O-N 3.1Å; F157-F160 HydrophobicContact CB-CD2 4.08Å; F157-F160 AromaticContact CD1-CD2 3.73Å; F157-F160 HydrophobicContact CD1-CD2 3.73Å; F157-F160 AromaticContact CD1-CE2 3.6Å; F157-F160 HydrophobicContact CD1-CE2 3.6Å; F157-F160 HydrophobicContact CE1-CE2 4.16Å; F157-F160 HydrophobicContact CG-CD2 4.11Å; F157-F160 HydrophobicContact CG-CE2 4.44Å; F157-F160 PolarHBondContact O-N 3.1Å; F157-F160 VanDerWaalsContact O-N 3.1Å; F157-L166 HydrophobicContact CE1-CD2 4.35Å; F157-L166 HydrophobicContact CE2-CD2 3.69Å; F157-L166 HydrophobicContact CZ-CD2 3.47Å; F157-L166 VanDerWaalsContact CZ-CD2 3.47Å; F157-W181 HydrophobicContact CD1-CH2 4.35Å; F157-W181 AromaticContact CD2-CH2 3.53Å; F157-W181 HydrophobicContact CD2-CH2 3.53Å; F157-W181 AromaticContact CD2-CZ3 3.48Å; F157-W181 HydrophobicContact CD2-CZ3 3.48Å; F157-W181 VanDerWaalsContact CD2-CZ3 3.48Å; F157-W181 HydrophobicContact CE1-CH2 4.35Å; F157-W181 AromaticContact CE2-CH2 3.53Å; F157-W181 HydrophobicContact CE2-CH2 3.53Å; F157-W181 AromaticContact CE2-CZ3 3.79Å; F157-W181 HydrophobicContact CE2-CZ3 3.79Å; F157-W181 AromaticContact CG-CH2 3.95Å; F157-W181 HydrophobicContact CG-CH2 3.95Å; F157-W181 HydrophobicContact CG-CZ3 4.09Å; F157-W181 AromaticContact CZ-CH2 3.94Å; F157-W181 HydrophobicContact CZ-CH2 3.94Å; F157-L182 HydrophobicContact CE2-CD1 3.69Å; F157-L182 HydrophobicContact CZ-CD1 4.24Å; F157-W185 AromaticContact CD2-CD2 3.77Å; F157-W185 HydrophobicContact CD2-CD2 3.77Å; F157-W185 AromaticContact CD2-CE2 3.7Å; F157-W185 HydrophobicContact CD2-CE3 4.07Å; F157-W185 HydrophobicContact CD2-CG 4.26Å; F157-W185 HydrophobicContact CD2-CH2 4.23Å; F157-W185 AromaticContact CD2-CZ2 3.95Å; F157-W185 HydrophobicContact CD2-CZ2 3.95Å; F157-W185 HydrophobicContact CD2-CZ3 4.29Å; F157-W185 HydrophobicContact CE2-CD2 4.09Å; F157-W185 AromaticContact CE2-CE3 3.89Å; F157-W185 HydrophobicContact CE2-CE3 3.89Å; F157-W185 HydrophobicContact CE2-CH2 4.13Å; F157-W185 HydrophobicContact CE2-CZ2 4.32Å; F157-W185 AromaticContact CE2-CZ3 3.92Å; F157-W185 HydrophobicContact CE2-CZ3 3.92Å
158	K	82.6	Confident	90.6	Very high	141 Å²	141	52.2 Å²	52.2	61%	0.613	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21	177.1	-179.5	171.6	176.2	176.7	0	113.5	E155	E155-K158 WeakPolarHBondContact O-CB 3.06Å; E155-K158 PolarHBondContact O-N 2.92Å; E155-K158 VanDerWaalsContact OE2-CD 3.22Å; E155-K158 WeakPolarHBondContact OE2-CD 3.35Å; E155-K158 IonicContact OE2-NZ 3.71Å
159	Y	80.4	Confident	90.7	Very high	48 Å²	48	55 Å²	55	19%	0.188	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-91.5	-0.6	-178.9	-49.5	-74	0	0	0	113.4	K130 H131 R134 F157	K130-Y159 VanDerWaalsContact O-CE2 3.27Å; K130-Y159 WeakPolarHBondContact O-CE2 3.36Å; K130-Y159 PolarHBondContact O-OH 2.75Å; H131-Y159 PolarHBondContact ND1-OH 2.93Å; R134-Y159 HydrophobicContact CB-CD1 4.45Å; R134-Y159 HydrophobicContact CB-CE1 4.02Å; R134-Y159 HydrophobicContact CB-CE2 4.25Å; R134-Y159 HydrophobicContact CG-CD1 4.34Å; R134-Y159 HydrophobicContact CG-CE1 3.77Å; F157-Y159 PolarHBondContact O-N 3.13Å; F157-Y159 VanDerWaalsContact O-N 3.1Å
160	F	84.2	Confident	90.7	Very high	23 Å²	23	57.3 Å²	57.3	10%	0.101	28%	0.283	C	S	.	.			trans	-108.6	82.8	-170.6	-61.2	-28	0	0	0	111.2	F133 L139 L142 F157 L163	F133-F160 HydrophobicContact CB-CE1 3.81Å; F133-F160 HydrophobicContact CB-CZ 3.62Å; F133-F160 HydrophobicContact CD2-CE2 4.25Å; F133-F160 AromaticContact CD2-CZ 3.56Å; F133-F160 HydrophobicContact CD2-CZ 3.56Å; F133-F160 HydrophobicContact CE2-CZ 4.45Å; F133-F160 HydrophobicContact CG-CE1 4.33Å; F133-F160 AromaticContact CG-CZ 3.75Å; F133-F160 HydrophobicContact CG-CZ 3.75Å; L139-F160 HydrophobicContact CB-CD1 4.49Å; L139-F160 HydrophobicContact CD2-CD1 4.19Å; L139-F160 HydrophobicContact CD2-CE1 3.61Å; L139-F160 HydrophobicContact CD2-CZ 4.08Å; L142-F160 HydrophobicContact CD2-CE2 3.66Å; L142-F160 HydrophobicContact CD2-CZ 3.71Å; F157-F160 HydrophobicContact CB-CD2 4.08Å; F157-F160 AromaticContact CD1-CD2 3.73Å; F157-F160 HydrophobicContact CD1-CD2 3.73Å; F157-F160 AromaticContact CD1-CE2 3.6Å; F157-F160 HydrophobicContact CD1-CE2 3.6Å; F157-F160 HydrophobicContact CE1-CE2 4.16Å; F157-F160 HydrophobicContact CG-CD2 4.11Å; F157-F160 HydrophobicContact CG-CE2 4.44Å; F157-F160 PolarHBondContact O-N 3.1Å; F157-F160 VanDerWaalsContact O-N 3.1Å; F160-L163 HydrophobicContact CB-CB 3.95Å; F160-L163 HydrophobicContact CB-CD2 4.38Å; F160-L163 HydrophobicContact CD2-CD2 3.96Å; F160-L163 HydrophobicContact CG-CD2 4.35Å
161	D	81.4	Confident	90.9	Very high	136 Å²	136	53.5 Å²	53.5	73%	0.727	27%	0.265	S	S	*	.	S	Bend	trans	-78.7	-24.1	-178.9	-63.4	-41.3	0	0	0	113.1
162	I	90.9	Very high	91.1	Very high	88 Å²	88	53 Å²	53	45%	0.451	27%	0.267	S	S	.	.	S	Bend	trans	-129.7	20.3	-170	64	169.7	0	0	0	113.8	T140 T164	T140-I162 HydrophobicContact CG2-CD1 3.96Å; T140-I162 HydrophobicContact CG2-CG1 4.24Å; I162-T164 PolarHBondContact O-N 2.57Å
163	L	93.4	Very high	91.3	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.068	27%	0.266	C	S	.	.			trans	-68.8	119.8	-176.9	-170.4	78.4	0	0	0	111.2	L139 T140 L142 F160 L166 T191	L139-L163 HydrophobicContact CD2-CD1 4.45Å; L139-L163 HydrophobicContact CG-CD1 4.5Å; T140-L163 WeakPolarHBondContact O-CD1 3.46Å; L142-L163 HydrophobicContact CB-CD1 3.89Å; F160-L163 HydrophobicContact CB-CB 3.95Å; F160-L163 HydrophobicContact CB-CD2 4.38Å; F160-L163 HydrophobicContact CD2-CD2 3.96Å; F160-L163 HydrophobicContact CG-CD2 4.35Å; L163-L166 HydrophobicContact CD2-CB 4.11Å; L163-T191 HydrophobicContact CD2-CG2 4.08Å; L163-T191 HydrophobicContact CG-CG2 4.1Å; L163-T191 PolarHBondContact O-OG1 3.34Å
164	T	95.1	Very high	91.5	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.393	28%	0.28	S	S	.	.			trans	-96.9	-35.1	-179.5	60.9	0	0	0	0	112	T140 H141 I162 T191 S192	T140-T164 PolarHBondContact O-N 2.76Å; T140-T164 PolarHBondContact O-OG1 3.32Å; T140-T164 VanDerWaalsContact O-OG1 3.09Å; H141-T164 PolarHBondContact CE1-OG1 3.34Å; I162-T164 PolarHBondContact O-N 2.57Å; T164-T191 CarbonylContact O-C 3.41Å; T164-T191 WeakPolarHBondContact O-CA 3.46Å; T164-T191 WeakPolarHBondContact O-CG2 3.46Å; T164-S192 PolarHBondContact O-N 2.97Å
165	D	96.8	Very high	91.9	Very high	58 Å²	58	50.2 Å²	50.2	31%	0.31	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.4	-172.9	-65.6	-92.1	0	0	0	111.6	T140 H141 L142 S192	T140-D165 PolarHBondContact O-N 2.78Å; T140-D165 VanDerWaalsContact O-N 3.13Å; H141-D165 WeakPolarHBondContact CA-O 3.27Å; H141-D165 IonicContact CD2-OD2 2.7Å; H141-D165 IonicContact CE1-OD2 3.31Å; H141-D165 IonicContact NE2-OD2 3.61Å; H141-D165 PolarHBondContact NE2-OD2 2.74Å; L142-D165 PolarHBondContact N-O 3.05Å; D165-S192 WeakPolarHBondContact OD1-CB 3.3Å
166	L	96.4	Very high	92	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	109.6	179.2	173.8	63.5	0	0	0	110.2	L142 F157 L163 L168 W185 T191 S192 V193 P194	L142-L166 HydrophobicContact CB-CD1 4.09Å; L142-L166 HydrophobicContact CD2-CD1 3.92Å; L142-L166 HydrophobicContact CG-CD1 3.98Å; L142-L166 CarbonylContact O-C 3.46Å; L142-L166 VanDerWaalsContact O-CA 3.29Å; L142-L166 WeakPolarHBondContact O-CA 3.12Å; F157-L166 HydrophobicContact CE1-CD2 4.35Å; F157-L166 HydrophobicContact CE2-CD2 3.69Å; F157-L166 HydrophobicContact CZ-CD2 3.47Å; F157-L166 VanDerWaalsContact CZ-CD2 3.47Å; L163-L166 HydrophobicContact CD2-CB 4.11Å; L166-L168 HydrophobicContact CD1-CD2 3.97Å; L166-L168 HydrophobicContact CD1-CG 4.07Å; L166-L168 HydrophobicContact CD2-CD1 3.98Å; L166-L168 HydrophobicContact CD2-CG 4.28Å; L166-L168 HydrophobicContact CG-CD1 4.19Å; L166-L168 HydrophobicContact CG-CD2 4.39Å; L166-L168 HydrophobicContact CG-CG 3.93Å; L166-W185 HydrophobicContact CD2-CH2 3.83Å; L166-W185 HydrophobicContact CD2-CZ3 3.82Å; L166-T191 HydrophobicContact CB-CG2 3.82Å; L166-S192 PolarHBondContact N-O 2.88Å; L166-V193 HydrophobicContact CB-CG2 4.24Å; L166-V193 HydrophobicContact CD2-CG2 4.37Å; L166-P194 WeakPolarHBondContact O-CD 3.36Å
167	D	97.6	Very high	92.2	Very high	23 Å²	23	49 Å²	49	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.3	175	-165.2	-8.5	0	0	0	111.4	L142 L144 R169	L142-D167 PolarHBondContact O-N 3.31Å; L144-D167 PolarHBondContact N-O 3.44Å; D167-R169 WeakPolarHBondContact OD1-CB 3.25Å; D167-R169 VanDerWaalsContact OD1-CG 3.27Å; D167-R169 WeakPolarHBondContact OD1-CG 3.35Å; D167-R169 PolarHBondContact OD1-N 3.36Å; D167-R169 IonicContact OD1-NE 2.81Å; D167-R169 PolarHBondContact OD1-NE 2.81Å; D167-R169 IonicContact OD2-CZ 3.13Å; D167-R169 IonicContact OD2-NE 3.06Å; D167-R169 PolarHBondContact OD2-NE 2.59Å; D167-R169 VanDerWaalsContact OD2-NE 3.13Å; D167-R169 IonicContact OD2-NH2 3.34Å; D167-R169 PolarHBondContact OD2-NH2 2.88Å
168	L	97.2	Very high	92.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.266	C	S	.	.			trans	-121.4	10.1	179.2	-65.8	178.9	0	0	0	112.4	L144 L152 L166 N171 F173 L182 I196	L144-L168 HydrophobicContact CB-CD2 3.99Å; L144-L168 HydrophobicContact CD1-CD2 4.02Å; L144-L168 HydrophobicContact CG-CD2 4.42Å; L152-L168 HydrophobicContact CD1-CD1 3.62Å; L152-L168 HydrophobicContact CD1-CD2 3.85Å; L152-L168 HydrophobicContact CD1-CG 4.4Å; L166-L168 HydrophobicContact CD1-CD2 3.97Å; L166-L168 HydrophobicContact CD1-CG 4.07Å; L166-L168 HydrophobicContact CD2-CD1 3.98Å; L166-L168 HydrophobicContact CD2-CG 4.28Å; L166-L168 HydrophobicContact CG-CD1 4.19Å; L166-L168 HydrophobicContact CG-CD2 4.39Å; L166-L168 HydrophobicContact CG-CG 3.93Å; L168-N171 PolarHBondContact O-ND2 3.43Å; L168-F173 HydrophobicContact CB-CE2 3.98Å; L168-F173 HydrophobicContact CB-CZ 3.97Å; L168-F173 HydrophobicContact CD1-CZ 4.11Å; L168-F173 HydrophobicContact CD2-CZ 4.43Å; L168-F173 HydrophobicContact CG-CZ 4.4Å; L168-L182 HydrophobicContact CD1-CD2 4.35Å; L168-I196 HydrophobicContact CB-CD1 4.32Å; L168-I196 HydrophobicContact CB-CG2 3.84Å; L168-I196 HydrophobicContact CD1-CD1 4.18Å
169	R	97.6	Very high	92.9	Very high	127 Å²	127	46.1 Å²	46.1	48%	0.479	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	155	-177.4	-68.8	178.3	-65.1	164	4.4	111.9	S145 N146 D167 N171 P194 I196	S145-R169 CarbonylContact C-O 3.57Å; S145-R169 WeakPolarHBondContact CA-O 3.4Å; N146-R169 PolarHBondContact N-O 3.32Å; D167-R169 WeakPolarHBondContact OD1-CB 3.25Å; D167-R169 VanDerWaalsContact OD1-CG 3.27Å; D167-R169 WeakPolarHBondContact OD1-CG 3.35Å; D167-R169 PolarHBondContact OD1-N 3.36Å; D167-R169 IonicContact OD1-NE 2.81Å; D167-R169 PolarHBondContact OD1-NE 2.81Å; D167-R169 IonicContact OD2-CZ 3.13Å; D167-R169 IonicContact OD2-NE 3.06Å; D167-R169 PolarHBondContact OD2-NE 2.59Å; D167-R169 VanDerWaalsContact OD2-NE 3.13Å; D167-R169 IonicContact OD2-NH2 3.34Å; D167-R169 PolarHBondContact OD2-NH2 2.88Å; R169-N171 PolarHBondContact O-N 3.33Å; R169-P194 HydrophobicContact CG-CB 3.84Å; R169-I196 HydrophobicContact CG-CG2 4.32Å
170	G	96.4	Very high	93.4	Very high	49 Å²	49	46.4 Å²	46.4	51%	0.505	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	13.5	175.5	0	0	0	0	0	115.2
171	N	97.9	Very high	93.8	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.091	24%	0.241	C	C	.	.			trans	-94.2	166	171.5	-75.1	-75.2	0	0	0	112.1	L144 N147 L149 L168 R169 F173	L144-N171 PolarHBondContact O-ND2 3.3Å; N147-N171 WeakPolarHBondContact CA-OD1 3.47Å; N147-N171 VanDerWaalsContact CB-OD1 3.28Å; N147-N171 WeakPolarHBondContact CB-OD1 3.07Å; N147-N171 WeakPolarHBondContact O-CA 3.14Å; N147-N171 PolarHBondContact O-OD1 3.25Å; N147-N171 VanDerWaalsContact O-OD1 3.11Å; L149-N171 HydrophobicContact CB-CB 4.14Å; L149-N171 WeakPolarHBondContact CB-OD1 3.26Å; L149-N171 VanDerWaalsContact CG-OD1 3.3Å; L149-N171 WeakPolarHBondContact CG-OD1 3.15Å; L149-N171 PolarHBondContact N-OD1 2.82Å; L168-N171 PolarHBondContact O-ND2 3.43Å; R169-N171 PolarHBondContact O-N 3.33Å; N171-F173 HydrophobicContact CB-CD2 4.14Å; N171-F173 HydrophobicContact CB-CE1 4.42Å; N171-F173 HydrophobicContact CB-CE2 3.7Å; N171-F173 HydrophobicContact CB-CZ 3.85Å
172	S	96.7	Very high	94.3	Very high	50 Å²	50	40.4 Å²	40.4	35%	0.35	21%	0.206	S	C	.	.			trans	-108	56.8	-174.5	-66.9	0	0	0	0	112.6	L149 Q150 R174	L149-S172 CarbonylContact O-C 3.57Å; L149-S172 VanDerWaalsContact O-C 3.23Å; L149-S172 PolarHBondContact O-N 3.27Å; Q150-S172 WeakPolarHBondContact CA-O 3.48Å; S172-R174 PolarHBondContact O-N 2.81Å
173	F	96.7	Very high	94.4	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.5	-171.8	-70.4	-61.6	0	0	0	114.2	L149 Q150 L152 L168 N171 I179 I196 A199 S200 I209	L149-F173 HydrophobicContact CB-CE1 4.31Å; L149-F173 PolarHBondContact O-N 3.16Å; Q150-F173 WeakPolarHBondContact O-CA 3.19Å; L152-F173 HydrophobicContact CD1-CE1 4.34Å; L152-F173 HydrophobicContact CD1-CZ 4.44Å; L152-F173 HydrophobicContact CG-CE1 4.16Å; L168-F173 HydrophobicContact CB-CE2 3.98Å; L168-F173 HydrophobicContact CB-CZ 3.97Å; L168-F173 HydrophobicContact CD1-CZ 4.11Å; L168-F173 HydrophobicContact CD2-CZ 4.43Å; L168-F173 HydrophobicContact CG-CZ 4.4Å; N171-F173 HydrophobicContact CB-CD2 4.14Å; N171-F173 HydrophobicContact CB-CE1 4.42Å; N171-F173 HydrophobicContact CB-CE2 3.7Å; N171-F173 HydrophobicContact CB-CZ 3.85Å; F173-I179 HydrophobicContact CB-CD1 3.72Å; F173-I179 HydrophobicContact CD1-CD1 4Å; F173-I179 HydrophobicContact CG-CD1 3.98Å; F173-I196 HydrophobicContact CD2-CD1 4.39Å; F173-I196 HydrophobicContact CE2-CB 4.42Å; F173-I196 HydrophobicContact CE2-CD1 4.04Å; F173-A199 PolarHBondContact O-N 2.89Å; F173-S200 PolarHBondContact O-N 2.66Å; F173-I209 HydrophobicContact CB-CD1 3.87Å; F173-I209 HydrophobicContact CD2-CD1 3.75Å; F173-I209 HydrophobicContact CG-CD1 3.98Å
174	R	95	Very high	94.3	Very high	122 Å²	122	38.3 Å²	38.3	46%	0.46	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.8	168.8	-175.9	174.2	-167.6	-132.5	9.9	109.4	Q150 S172 D176 S200	Q150-R174 PolarHBondContact O-N 3.08Å; S172-R174 PolarHBondContact O-N 2.81Å; R174-D176 VanDerWaalsContact C-N 3.28Å; R174-D176 WeakPolarHBondContact CD-OD2 3.37Å; R174-D176 HydrophobicContact CG-CB 4.4Å; R174-D176 IonicContact CZ-OD2 3.53Å; R174-D176 VanDerWaalsContact CZ-OD2 3.22Å; R174-D176 IonicContact NE-OD2 3.52Å; R174-D176 PolarHBondContact NE-OD2 3.25Å; R174-D176 IonicContact NH1-OD2 2.7Å; R174-D176 PolarHBondContact NH1-OD2 2.77Å; R174-D176 PolarHBondContact O-N 3.18Å; R174-S200 CarbonylContact C-O 3.57Å; R174-S200 WeakPolarHBondContact CA-O 3.42Å; R174-S200 WeakPolarHBondContact CB-OG 3.45Å; R174-S200 WeakPolarHBondContact CG-OG 3.29Å
175	C	94.3	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.			trans	-84.9	68	-179.3	-66.5	0	0	0	0	112.1	I179 C198 S200 P201 F204 L212 F217	C175-I179 HydrophobicContact CB-CG2 4.13Å; C175-C198 HydrophobicContact CB-CB 3.73Å; C175-C198 WeakPolarHBondContact CB-SG 3.22Å; C175-C198 VanDerWaalsContact SG-CA 3.52Å; C175-C198 WeakPolarHBondContact SG-CB 3.39Å; C175-C198 CovalentContact SG-SG 2.02Å; C175-C198 PolarHBondContact SG-SG 3.25Å; C175-S200 PolarHBondContact N-O 3.31Å; C175-P201 VanDerWaalsContact O-CD 3.28Å; C175-P201 WeakPolarHBondContact O-CD 3.35Å; C175-F204 HydrophobicContact CB-CB 3.96Å; C175-F204 HydrophobicContact CB-CD2 4.45Å; C175-F204 HydrophobicContact CB-CG 4.3Å; C175-F204 WeakPolarHBondContact O-CD2 3.06Å; C175-L212 HydrophobicContact CB-CD1 4.43Å; C175-F217 HydrophobicContact CB-CE1 4.36Å
176	D	90.4	Very high	94	Very high	34 Å²	34	36.3 Å²	36.3	18%	0.182	18%	0.178	C	C	.	.	S	Bend	trans	-110.2	-164.5	169.5	67	22.7	0	0	0	110.8	R174 K178 I179 F217	R174-D176 VanDerWaalsContact C-N 3.28Å; R174-D176 WeakPolarHBondContact CD-OD2 3.37Å; R174-D176 HydrophobicContact CG-CB 4.4Å; R174-D176 IonicContact CZ-OD2 3.53Å; R174-D176 VanDerWaalsContact CZ-OD2 3.22Å; R174-D176 IonicContact NE-OD2 3.52Å; R174-D176 PolarHBondContact NE-OD2 3.25Å; R174-D176 IonicContact NH1-OD2 2.7Å; R174-D176 PolarHBondContact NH1-OD2 2.77Å; R174-D176 PolarHBondContact O-N 3.18Å; D176-K178 PolarHBondContact O-N 2.97Å; D176-K178 VanDerWaalsContact O-N 3.1Å; D176-K178 VanDerWaalsContact OD1-CB 3.27Å; D176-K178 WeakPolarHBondContact OD1-CB 3.19Å; D176-K178 PolarHBondContact OD1-N 2.95Å; D176-I179 WeakPolarHBondContact O-CG2 3.46Å; D176-I179 PolarHBondContact O-N 2.79Å; D176-I179 VanDerWaalsContact O-N 3.08Å; D176-F217 WeakPolarHBondContact O-CD1 3.39Å
177	C	89.9	Confident	93.7	Very high	18 Å²	18	42.8 Å²	42.8	12%	0.122	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.6	179.6	-75.9	0	0	0	0	115.9	I179 K180 C219 L547	C177-I179 VanDerWaalsContact C-N 3.32Å; C177-K180 VanDerWaalsContact O-CB 3.28Å; C177-K180 WeakPolarHBondContact O-CB 3.27Å; C177-K180 PolarHBondContact O-N 2.75Å; C177-C219 WeakPolarHBondContact CA-SG 3.45Å; C177-C219 HydrophobicContact CB-CB 3.69Å; C177-C219 WeakPolarHBondContact CB-SG 3.25Å; C177-C219 WeakPolarHBondContact SG-CA 3.47Å; C177-C219 WeakPolarHBondContact SG-CB 3.13Å; C177-C219 CovalentContact SG-SG 2.04Å; C177-C219 PolarHBondContact SG-SG 3.02Å; C177-L547 HydrophobicContact CB-CB 3.79Å
178	K	90.1	Very high	93.3	Very high	91 Å²	91	48.6 Å²	48.6	40%	0.396	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.8	178.2	-60.8	-175.4	174.7	-175.3	0	112.6	L151 D176 W181	L151-K178 HydrophobicContact CD2-CD 4.22Å; D176-K178 PolarHBondContact O-N 2.97Å; D176-K178 VanDerWaalsContact O-N 3.1Å; D176-K178 VanDerWaalsContact OD1-CB 3.27Å; D176-K178 WeakPolarHBondContact OD1-CB 3.19Å; D176-K178 PolarHBondContact OD1-N 2.95Å; K178-W181 PolarHBondContact O-NE1 2.97Å
179	I	92	Very high	92.9	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-12.7	174.8	-146	159.7	0	0	0	112.8	F173 C175 D176 C177 W181 L182 V183 I209 F217	F173-I179 HydrophobicContact CB-CD1 3.72Å; F173-I179 HydrophobicContact CD1-CD1 4Å; F173-I179 HydrophobicContact CG-CD1 3.98Å; C175-I179 HydrophobicContact CB-CG2 4.13Å; D176-I179 WeakPolarHBondContact O-CG2 3.46Å; D176-I179 PolarHBondContact O-N 2.79Å; D176-I179 VanDerWaalsContact O-N 3.08Å; C177-I179 VanDerWaalsContact C-N 3.32Å; I179-W181 PolarHBondContact O-N 3.25Å; I179-W181 VanDerWaalsContact O-N 3.1Å; I179-L182 HydrophobicContact CD1-CD2 4.36Å; I179-L182 HydrophobicContact CG1-CB 4.11Å; I179-L182 HydrophobicContact CG1-CD2 4.04Å; I179-L182 WeakPolarHBondContact O-CB 3.4Å; I179-L182 PolarHBondContact O-N 2.69Å; I179-V183 HydrophobicContact CG2-CG2 4.45Å; I179-V183 PolarHBondContact O-N 3.28Å; I179-I209 HydrophobicContact CD1-CD1 3.79Å; I179-F217 HydrophobicContact CG2-CE1 3.82Å; I179-F217 HydrophobicContact CG2-CZ 3.71Å
180	K	91.6	Very high	92.6	Very high	54 Å²	54	52.2 Å²	52.2	24%	0.235	26%	0.264	C	S	.	.	H	α-helix	trans	-51.7	-38.5	-175.9	-179	178.8	177.8	172	0	112.8	C177 L182 V183 D184 P214 F217	C177-K180 VanDerWaalsContact O-CB 3.28Å; C177-K180 WeakPolarHBondContact O-CB 3.27Å; C177-K180 PolarHBondContact O-N 2.75Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.87Å; K180-V183 PolarHBondContact O-N 2.78Å; K180-D184 PolarHBondContact O-N 3.43Å; K180-P214 VanDerWaalsContact CE-O 3.24Å; K180-P214 WeakPolarHBondContact CE-O 3.22Å; K180-P214 HydrophobicContact CG-CB 4.36Å; K180-F217 HydrophobicContact CB-CB 4.48Å; K180-F217 HydrophobicContact CB-CD2 4.11Å; K180-F217 HydrophobicContact CB-CG 4.29Å; K180-F217 HydrophobicContact CD-CB 4.22Å; K180-F217 HydrophobicContact CG-CB 4.46Å; K180-F217 HydrophobicContact CG-CD2 4.07Å
181	W	91.6	Very high	92.4	Very high	32 Å²	32	50.9 Å²	50.9	12%	0.121	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-34.5	178.6	77.7	-96.4	0	0	0	112.4	L152 P153 R154 F157 K178 I179 D184 W185	L152-W181 HydrophobicContact CB-CH2 4.36Å; L152-W181 HydrophobicContact CB-CZ2 3.67Å; L152-W181 VanDerWaalsContact O-CZ2 3.28Å; L152-W181 WeakPolarHBondContact O-CZ2 3.26Å; L152-W181 PolarHBondContact O-NE1 2.79Å; P153-W181 WeakPolarHBondContact O-CZ2 3.49Å; R154-W181 VanDerWaalsContact CA-CE2 3.43Å; R154-W181 HydrophobicContact CB-CB 4.38Å; R154-W181 HydrophobicContact CB-CD2 3.89Å; R154-W181 HydrophobicContact CB-CE3 4.5Å; R154-W181 HydrophobicContact CB-CG 3.78Å; R154-W181 HydrophobicContact CG-CB 4Å; R154-W181 HydrophobicContact CG-CD2 3.98Å; R154-W181 HydrophobicContact CG-CE3 4.24Å; R154-W181 HydrophobicContact CG-CG 3.84Å; F157-W181 HydrophobicContact CD1-CH2 4.35Å; F157-W181 AromaticContact CD2-CH2 3.53Å; F157-W181 HydrophobicContact CD2-CH2 3.53Å; F157-W181 AromaticContact CD2-CZ3 3.48Å; F157-W181 HydrophobicContact CD2-CZ3 3.48Å; F157-W181 VanDerWaalsContact CD2-CZ3 3.48Å; F157-W181 HydrophobicContact CE1-CH2 4.35Å; F157-W181 AromaticContact CE2-CH2 3.53Å; F157-W181 HydrophobicContact CE2-CH2 3.53Å; F157-W181 AromaticContact CE2-CZ3 3.79Å; F157-W181 HydrophobicContact CE2-CZ3 3.79Å; F157-W181 AromaticContact CG-CH2 3.95Å; F157-W181 HydrophobicContact CG-CH2 3.95Å; F157-W181 HydrophobicContact CG-CZ3 4.09Å; F157-W181 AromaticContact CZ-CH2 3.94Å; F157-W181 HydrophobicContact CZ-CH2 3.94Å; K178-W181 PolarHBondContact O-NE1 2.97Å; I179-W181 PolarHBondContact O-N 3.25Å; I179-W181 VanDerWaalsContact O-N 3.1Å; W181-D184 PolarHBondContact O-N 3.16Å; W181-W185 HydrophobicContact CE3-CB 4.18Å; W181-W185 HydrophobicContact CZ3-CB 4.25Å; W181-W185 HydrophobicContact CZ3-CG 4.42Å; W181-W185 VanDerWaalsContact O-CB 3.27Å; W181-W185 WeakPolarHBondContact O-CB 3.24Å; W181-W185 PolarHBondContact O-N 2.78Å
182	L	92.9	Very high	92.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-70.2	-40.6	179.9	178.5	63.6	0	0	0	109.6	L152 F157 L168 I179 K180 W185 M186 I196	L152-L182 HydrophobicContact CD1-CD2 4.37Å; F157-L182 HydrophobicContact CE2-CD1 3.69Å; F157-L182 HydrophobicContact CZ-CD1 4.24Å; L168-L182 HydrophobicContact CD1-CD2 4.35Å; I179-L182 HydrophobicContact CD1-CD2 4.36Å; I179-L182 HydrophobicContact CG1-CB 4.11Å; I179-L182 HydrophobicContact CG1-CD2 4.04Å; I179-L182 WeakPolarHBondContact O-CB 3.4Å; I179-L182 PolarHBondContact O-N 2.69Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.87Å; L182-W185 HydrophobicContact CD1-CE3 4.09Å; L182-W185 PolarHBondContact O-N 3.14Å; L182-M186 HydrophobicContact CD1-CG 4.25Å; L182-M186 HydrophobicContact CD1-SD 4.37Å; L182-M186 HydrophobicContact CG-CG 4.44Å; L182-M186 HydrophobicContact CG-SD 4.11Å; L182-M186 WeakPolarHBondContact O-CB 3.48Å; L182-M186 VanDerWaalsContact O-CG 3.23Å; L182-M186 WeakPolarHBondContact O-CG 3.27Å; L182-M186 PolarHBondContact O-N 3.3Å; L182-I196 HydrophobicContact CD2-CD1 4.47Å
183	V	93.3	Very high	92.2	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-50.3	172.5	175.8	0	0	0	0	110.6	I179 K180 W185 M186 E187 I209 L212 F217	I179-V183 HydrophobicContact CG2-CG2 4.45Å; I179-V183 PolarHBondContact O-N 3.28Å; K180-V183 PolarHBondContact O-N 2.78Å; V183-W185 VanDerWaalsContact C-N 3.33Å; V183-W185 PolarHBondContact O-N 2.81Å; V183-M186 PolarHBondContact O-N 3.1Å; V183-E187 PolarHBondContact O-N 3.42Å; V183-E187 VanDerWaalsContact O-N 3.11Å; V183-I209 HydrophobicContact CG2-CG2 3.67Å; V183-L212 HydrophobicContact CG1-CB 4.37Å; V183-L212 WeakPolarHBondContact CG1-O 3.36Å; V183-L212 HydrophobicContact CG2-CB 4.39Å; V183-F217 HydrophobicContact CB-CE2 4.34Å; V183-F217 HydrophobicContact CG1-CE2 4.47Å; V183-F217 HydrophobicContact CG2-CE2 3.88Å; V183-F217 HydrophobicContact CG2-CZ 4.05Å
184	D	91.6	Very high	92.2	Very high	51 Å²	51	54.1 Å²	54.1	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-37.1	177.4	-174.2	54.7	0	0	0	112.8	K180 W181 K188 P214	K180-D184 PolarHBondContact O-N 3.43Å; W181-D184 PolarHBondContact O-N 3.16Å; D184-K188 WeakPolarHBondContact O-CG 3.26Å; D184-K188 PolarHBondContact O-N 2.81Å; D184-K188 WeakPolarHBondContact OD1-CE 3.35Å; D184-K188 IonicContact OD1-NZ 3.74Å; D184-K188 PolarHBondContact OD1-NZ 2.93Å; D184-K188 IonicContact OD2-NZ 3.52Å; D184-K188 PolarHBondContact OD2-NZ 2.75Å; D184-P214 HydrophobicContact CB-CG 4.12Å
185	W	92.3	Very high	92.2	Very high	58 Å²	58	49.7 Å²	49.7	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-42.9	176.7	177.6	87.7	0	0	0	111.8	F157 L166 W181 L182 V183 E187 K188 S189 T191 V193	F157-W185 AromaticContact CD2-CD2 3.77Å; F157-W185 HydrophobicContact CD2-CD2 3.77Å; F157-W185 AromaticContact CD2-CE2 3.7Å; F157-W185 HydrophobicContact CD2-CE3 4.07Å; F157-W185 HydrophobicContact CD2-CG 4.26Å; F157-W185 HydrophobicContact CD2-CH2 4.23Å; F157-W185 AromaticContact CD2-CZ2 3.95Å; F157-W185 HydrophobicContact CD2-CZ2 3.95Å; F157-W185 HydrophobicContact CD2-CZ3 4.29Å; F157-W185 HydrophobicContact CE2-CD2 4.09Å; F157-W185 AromaticContact CE2-CE3 3.89Å; F157-W185 HydrophobicContact CE2-CE3 3.89Å; F157-W185 HydrophobicContact CE2-CH2 4.13Å; F157-W185 HydrophobicContact CE2-CZ2 4.32Å; F157-W185 AromaticContact CE2-CZ3 3.92Å; F157-W185 HydrophobicContact CE2-CZ3 3.92Å; L166-W185 HydrophobicContact CD2-CH2 3.83Å; L166-W185 HydrophobicContact CD2-CZ3 3.82Å; W181-W185 HydrophobicContact CE3-CB 4.18Å; W181-W185 HydrophobicContact CZ3-CB 4.25Å; W181-W185 HydrophobicContact CZ3-CG 4.42Å; W181-W185 VanDerWaalsContact O-CB 3.27Å; W181-W185 WeakPolarHBondContact O-CB 3.24Å; W181-W185 PolarHBondContact O-N 2.78Å; L182-W185 HydrophobicContact CD1-CE3 4.09Å; L182-W185 PolarHBondContact O-N 3.14Å; V183-W185 VanDerWaalsContact C-N 3.33Å; V183-W185 PolarHBondContact O-N 2.81Å; W185-E187 VanDerWaalsContact C-N 3.28Å; W185-E187 PolarHBondContact O-N 3.36Å; W185-K188 PolarHBondContact O-N 3.46Å; W185-S189 WeakPolarHBondContact CZ2-OG 3.3Å; W185-S189 WeakPolarHBondContact O-CB 3.43Å; W185-S189 PolarHBondContact O-N 3.33Å; W185-T191 HydrophobicContact CH2-CG2 3.89Å; W185-V193 HydrophobicContact CH2-CG2 4.48Å; W185-V193 HydrophobicContact CZ3-CG2 3.99Å
186	M	91.9	Very high	92.3	Very high	21 Å²	21	50 Å²	50	10%	0.103	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-32.8	177.8	-73.1	177.5	65.6	0	0	112.2	L182 V183 K188 V193 I196 I209 H210	L182-M186 HydrophobicContact CD1-CG 4.25Å; L182-M186 HydrophobicContact CD1-SD 4.37Å; L182-M186 HydrophobicContact CG-CG 4.44Å; L182-M186 HydrophobicContact CG-SD 4.11Å; L182-M186 WeakPolarHBondContact O-CB 3.48Å; L182-M186 VanDerWaalsContact O-CG 3.23Å; L182-M186 WeakPolarHBondContact O-CG 3.27Å; L182-M186 PolarHBondContact O-N 3.3Å; V183-M186 PolarHBondContact O-N 3.1Å; M186-K188 VanDerWaalsContact C-N 3.33Å; M186-V193 HydrophobicContact CE-CB 3.96Å; M186-V193 HydrophobicContact CE-CG1 3.79Å; M186-V193 HydrophobicContact CE-CG2 4.47Å; M186-V193 HydrophobicContact CG-CG2 4.49Å; M186-V193 HydrophobicContact SD-CG1 4.41Å; M186-I196 HydrophobicContact SD-CD1 4.18Å; M186-I209 HydrophobicContact SD-CG2 4.3Å; M186-H210 HydrophobicContact CE-CB 4.12Å
187	E	90.1	Very high	92.6	Very high	138 Å²	138	54.5 Å²	54.5	65%	0.645	28%	0.275	S	S	*	.	H	α-helix	trans	-68.6	-32	175.4	-171.4	179.1	177.2	0	0	112.4	V183 W185	V183-E187 PolarHBondContact O-N 3.42Å; V183-E187 VanDerWaalsContact O-N 3.11Å; W185-E187 VanDerWaalsContact C-N 3.28Å; W185-E187 PolarHBondContact O-N 3.36Å
188	K	90.3	Very high	93	Very high	145 Å²	145	53.8 Å²	53.8	63%	0.63	27%	0.27	S	S	*	.	H	α-helix	trans	-98.8	-23.1	-174.4	-68.2	170.6	-177	164.5	0	114.3	D184 W185 M186	D184-K188 WeakPolarHBondContact O-CG 3.26Å; D184-K188 PolarHBondContact O-N 2.81Å; D184-K188 WeakPolarHBondContact OD1-CE 3.35Å; D184-K188 IonicContact OD1-NZ 3.74Å; D184-K188 PolarHBondContact OD1-NZ 2.93Å; D184-K188 IonicContact OD2-NZ 3.52Å; D184-K188 PolarHBondContact OD2-NZ 2.75Å; W185-K188 PolarHBondContact O-N 3.46Å; M186-K188 VanDerWaalsContact C-N 3.33Å
189	S	89.1	Confident	93.3	Very high	34 Å²	34	51.4 Å²	51.4	24%	0.238	27%	0.267	C	S	.	.			trans	-85	147.9	-174.4	-172.2	0	0	0	0	111.8	W185 T191	W185-S189 WeakPolarHBondContact CZ2-OG 3.3Å; W185-S189 WeakPolarHBondContact O-CB 3.43Å; W185-S189 PolarHBondContact O-N 3.33Å; S189-T191 VanDerWaalsContact C-N 3.31Å; S189-T191 WeakPolarHBondContact OG-CB 3.32Å; S189-T191 PolarHBondContact OG-N 2.77Å; S189-T191 VanDerWaalsContact OG-N 3.14Å; S189-T191 PolarHBondContact OG-OG1 3.28Å
190	N	90.9	Very high	93.3	Very high	171 Å²	171	53.2 Å²	53.2	91%	0.914	28%	0.28	S	S	*	.			trans	-88.8	1.3	170.2	-67.5	-25	0	0	0	112.7
191	T	93	Very high	93.3	Very high	20 Å²	20	52.4 Å²	52.4	12%	0.123	28%	0.28	C	S	.	.			trans	-66.3	131.6	178	-53.4	0	0	0	0	110.6	L163 T164 L166 W185 S189 V193	L163-T191 HydrophobicContact CD2-CG2 4.08Å; L163-T191 HydrophobicContact CG-CG2 4.1Å; L163-T191 PolarHBondContact O-OG1 3.34Å; T164-T191 CarbonylContact O-C 3.41Å; T164-T191 WeakPolarHBondContact O-CA 3.46Å; T164-T191 WeakPolarHBondContact O-CG2 3.46Å; L166-T191 HydrophobicContact CB-CG2 3.82Å; W185-T191 HydrophobicContact CH2-CG2 3.89Å; S189-T191 VanDerWaalsContact C-N 3.31Å; S189-T191 WeakPolarHBondContact OG-CB 3.32Å; S189-T191 PolarHBondContact OG-N 2.77Å; S189-T191 VanDerWaalsContact OG-N 3.14Å; S189-T191 PolarHBondContact OG-OG1 3.28Å; T191-V193 PolarHBondContact O-N 2.7Å
192	S	95	Very high	93.1	Very high	68 Å²	68	59 Å²	59	48%	0.476	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-70.5	117.5	173.6	-178.9	0	0	0	0	110.4	T164 D165 L166	T164-S192 PolarHBondContact O-N 2.97Å; D165-S192 WeakPolarHBondContact OD1-CB 3.3Å; L166-S192 PolarHBondContact N-O 2.88Å
193	V	95.4	Very high	92.8	Very high	25 Å²	25	65.1 Å²	65.1	15%	0.152	34%	0.339	C	S	.	.			trans	-123.1	117.4	176.7	-171.6	0	0	0	0	109.3	L166 W185 M186 T191	L166-V193 HydrophobicContact CB-CG2 4.24Å; L166-V193 HydrophobicContact CD2-CG2 4.37Å; W185-V193 HydrophobicContact CH2-CG2 4.48Å; W185-V193 HydrophobicContact CZ3-CG2 3.99Å; M186-V193 HydrophobicContact CE-CB 3.96Å; M186-V193 HydrophobicContact CE-CG1 3.79Å; M186-V193 HydrophobicContact CE-CG2 4.47Å; M186-V193 HydrophobicContact CG-CG2 4.49Å; M186-V193 HydrophobicContact SD-CG1 4.41Å; T191-V193 PolarHBondContact O-N 2.7Å
194	P	95.6	Very high	92.8	Very high	43 Å²	43	66.5 Å²	66.5	28%	0.279	34%	0.344	S	S	.	.			trans	-60.5	165.4	174	-23.6	34.5	0	0	0	113.1	L166 R169 I196	L166-P194 WeakPolarHBondContact O-CD 3.36Å; R169-P194 HydrophobicContact CG-CB 3.84Å; P194-I196 PolarHBondContact O-N 3.5Å; P194-I196 VanDerWaalsContact O-N 3.15Å
195	A	95.6	Very high	93	Very high	30 Å²	30	69.7 Å²	69.7	25%	0.248	36%	0.358	C	S	.	.			trans	-61.6	119.6	179.1	0	0	0	0	0	111.9	Y197	A195-Y197 HydrophobicContact CB-CE2 4.21Å
196	I	96.6	Very high	93.1	Very high	5 Å²	5	69.5 Å²	69.5	3%	0.026	37%	0.373	C	S	.	.			trans	-120.6	152.3	174.8	56.8	172	0	0	0	110.6	L168 R169 F173 L182 M186 P194 R208 I209	L168-I196 HydrophobicContact CB-CD1 4.32Å; L168-I196 HydrophobicContact CB-CG2 3.84Å; L168-I196 HydrophobicContact CD1-CD1 4.18Å; R169-I196 HydrophobicContact CG-CG2 4.32Å; F173-I196 HydrophobicContact CD2-CD1 4.39Å; F173-I196 HydrophobicContact CE2-CB 4.42Å; F173-I196 HydrophobicContact CE2-CD1 4.04Å; L182-I196 HydrophobicContact CD2-CD1 4.47Å; M186-I196 HydrophobicContact SD-CD1 4.18Å; P194-I196 PolarHBondContact O-N 3.5Å; P194-I196 VanDerWaalsContact O-N 3.15Å; I196-R208 WeakPolarHBondContact O-CA 3.18Å; I196-I209 HydrophobicContact CB-CD1 4.41Å; I196-I209 HydrophobicContact CD1-CB 4.28Å; I196-I209 HydrophobicContact CD1-CD1 3.75Å; I196-I209 HydrophobicContact CD1-CG2 4.49Å; I196-I209 HydrophobicContact CG1-CB 4.02Å; I196-I209 HydrophobicContact CG1-CD1 3.89Å; I196-I209 HydrophobicContact CG1-CG1 4.3Å; I196-I209 PolarHBondContact O-N 3.37Å
197	Y	96.8	Very high	93.3	Very high	129 Å²	129	75.4 Å²	75.4	51%	0.506	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-129.1	150	-168.2	-56.6	-92.4	0	0	0	111.5	A195 R207 R208	A195-Y197 HydrophobicContact CB-CE2 4.21Å; Y197-R207 CarbonylContact C-O 3.58Å; Y197-R207 VanDerWaalsContact CA-O 3.28Å; Y197-R207 WeakPolarHBondContact CA-O 3.31Å; Y197-R208 HydrophobicContact CD1-CB 4.2Å; Y197-R208 HydrophobicContact CE1-CB 4.13Å; Y197-R208 HydrophobicContact CE1-CG 4.47Å
198	C	97.4	Very high	93.6	Very high	4 Å²	4	73 Å²	73	3%	0.027	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.6	172.2	-60.2	0	0	0	0	110.6	C175 F204 G206 R207	C175-C198 HydrophobicContact CB-CB 3.73Å; C175-C198 WeakPolarHBondContact CB-SG 3.22Å; C175-C198 VanDerWaalsContact SG-CA 3.52Å; C175-C198 WeakPolarHBondContact SG-CB 3.39Å; C175-C198 CovalentContact SG-SG 2.02Å; C175-C198 PolarHBondContact SG-SG 3.25Å; C198-F204 HydrophobicContact CB-CB 4.07Å; C198-F204 WeakPolarHBondContact CB-O 3.19Å; C198-G206 PolarHBondContact O-N 2.84Å; C198-R207 PolarHBondContact N-O 3.06Å
199	A	97.1	Very high	93.8	Very high	41 Å²	41	66.1 Å²	66.1	34%	0.339	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-27.5	170.3	0	0	0	0	0	112.2	F173 Q205	F173-A199 PolarHBondContact O-N 2.89Å; A199-Q205 WeakPolarHBondContact O-CG 3.35Å
200	S	91.8	Very high	93.9	Very high	41 Å²	41	69.6 Å²	69.6	29%	0.287	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	169.7	179.7	62.2	0	0	0	0	109.9	F173 R174 C175	F173-S200 PolarHBondContact O-N 2.66Å; R174-S200 CarbonylContact C-O 3.57Å; R174-S200 WeakPolarHBondContact CA-O 3.42Å; R174-S200 WeakPolarHBondContact CB-OG 3.45Å; R174-S200 WeakPolarHBondContact CG-OG 3.29Å; C175-S200 PolarHBondContact N-O 3.31Å
201	P	92.1	Very high	94	Very high	37 Å²	37	66.7 Å²	66.7	24%	0.24	35%	0.346	C	S	.	.	S	Bend	cis	-68.3	177	-13.9	36.7	-39	0	0	0	111.5	C175 E203 F204 Q205	C175-P201 VanDerWaalsContact O-CD 3.28Å; C175-P201 WeakPolarHBondContact O-CD 3.35Å; P201-E203 WeakPolarHBondContact CB-OE2 3.44Å; P201-E203 VanDerWaalsContact CG-OE2 3.24Å; P201-E203 WeakPolarHBondContact CG-OE2 3.38Å; P201-E203 PolarHBondContact O-N 3.44Å; P201-E203 VanDerWaalsContact O-N 3.15Å; P201-F204 HydrophobicContact CG-CD2 3.99Å; P201-F204 PolarHBondContact O-N 2.69Å; P201-Q205 PolarHBondContact O-N 3.43Å
202	F	86.8	Confident	94	Very high	171 Å²	171	66.3 Å²	66.3	75%	0.75	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.9	-171.7	177.1	-100.7	0	0	0	113	F204 Q205	F202-F204 PolarHBondContact O-N 3.38Å; F202-Q205 PolarHBondContact O-N 3.44Å
203	E	87.2	Confident	93.8	Very high	129 Å²	129	66 Å²	66	60%	0.603	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-27	179.7	-54.7	79.5	-171.9	0	0	113	P201	P201-E203 WeakPolarHBondContact CB-OE2 3.44Å; P201-E203 VanDerWaalsContact CG-OE2 3.24Å; P201-E203 WeakPolarHBondContact CG-OE2 3.38Å; P201-E203 PolarHBondContact O-N 3.44Å; P201-E203 VanDerWaalsContact O-N 3.15Å
204	F	92.7	Very high	93.3	Very high	35 Å²	35	66.2 Å²	66.2	15%	0.154	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-7.1	-179.8	-66.3	-67.4	0	0	0	113.3	C175 C198 P201 F202 G206 R207 L212 D216	C175-F204 HydrophobicContact CB-CB 3.96Å; C175-F204 HydrophobicContact CB-CD2 4.45Å; C175-F204 HydrophobicContact CB-CG 4.3Å; C175-F204 WeakPolarHBondContact O-CD2 3.06Å; C198-F204 HydrophobicContact CB-CB 4.07Å; C198-F204 WeakPolarHBondContact CB-O 3.19Å; P201-F204 HydrophobicContact CG-CD2 3.99Å; P201-F204 PolarHBondContact O-N 2.69Å; F202-F204 PolarHBondContact O-N 3.38Å; F204-G206 PolarHBondContact O-N 3.02Å; F204-R207 WeakPolarHBondContact O-CB 3.48Å; F204-R207 WeakPolarHBondContact O-CG 3.5Å; F204-R207 PolarHBondContact O-N 3.46Å; F204-L212 HydrophobicContact CD1-CD1 4.28Å; F204-L212 HydrophobicContact CD1-CD2 3.8Å; F204-L212 HydrophobicContact CE1-CD2 3.91Å; F204-D216 HydrophobicContact CE1-CB 4.39Å; F204-D216 HydrophobicContact CZ-CB 4.45Å
205	Q	95	Very high	92.7	Very high	119 Å²	119	75.3 Å²	75.3	56%	0.556	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	128	-175.1	-174.9	173.3	1.5	0	0	111.8	A199 P201 F202 R207	A199-Q205 WeakPolarHBondContact O-CG 3.35Å; P201-Q205 PolarHBondContact O-N 3.43Å; F202-Q205 PolarHBondContact O-N 3.44Å; Q205-R207 PolarHBondContact O-N 3.24Å
206	G	95.1	Very high	92.2	Very high	53 Å²	53	77.5 Å²	77.5	55%	0.546	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-6.2	-177.8	0	0	0	0	0	115.1	C198 F204	C198-G206 PolarHBondContact O-N 2.84Å; F204-G206 PolarHBondContact O-N 3.02Å
207	R	95.8	Very high	91.7	Very high	145 Å²	145	77.8 Å²	77.8	55%	0.547	38%	0.378	S	S	.	.			trans	-72.6	144	173.4	-63.1	-124.6	-140.9	-161.7	9.7	110.9	Y197 C198 F204 Q205	Y197-R207 CarbonylContact C-O 3.58Å; Y197-R207 VanDerWaalsContact CA-O 3.28Å; Y197-R207 WeakPolarHBondContact CA-O 3.31Å; C198-R207 PolarHBondContact N-O 3.06Å; F204-R207 WeakPolarHBondContact O-CB 3.48Å; F204-R207 WeakPolarHBondContact O-CG 3.5Å; F204-R207 PolarHBondContact O-N 3.46Å; Q205-R207 PolarHBondContact O-N 3.24Å
208	R	96.2	Very high	90.9	Very high	89 Å²	89	78.2 Å²	78.2	34%	0.336	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-74.5	130.9	172.6	-170.4	-176.7	-177.2	-178.3	-0.2	109.5	I196 Y197 H210 D211	I196-R208 WeakPolarHBondContact O-CA 3.18Å; Y197-R208 HydrophobicContact CD1-CB 4.2Å; Y197-R208 HydrophobicContact CE1-CB 4.13Å; Y197-R208 HydrophobicContact CE1-CG 4.47Å; R208-H210 VanDerWaalsContact C-N 3.29Å; R208-H210 HydrophobicContact CG-CB 4.28Å; R208-H210 PolarHBondContact O-N 3.41Å; R208-D211 HydrophobicContact CB-CB 4.42Å; R208-D211 WeakPolarHBondContact CB-OD2 3.22Å; R208-D211 PolarHBondContact O-N 2.76Å; R208-D211 VanDerWaalsContact O-N 3.1Å
209	I	95.3	Very high	90.2	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-64.5	-35.5	-176.4	-65.6	172.4	0	0	0	111.6	F173 I179 V183 M186 I196 D211 L212	F173-I209 HydrophobicContact CB-CD1 3.87Å; F173-I209 HydrophobicContact CD2-CD1 3.75Å; F173-I209 HydrophobicContact CG-CD1 3.98Å; I179-I209 HydrophobicContact CD1-CD1 3.79Å; V183-I209 HydrophobicContact CG2-CG2 3.67Å; M186-I209 HydrophobicContact SD-CG2 4.3Å; I196-I209 HydrophobicContact CB-CD1 4.41Å; I196-I209 HydrophobicContact CD1-CB 4.28Å; I196-I209 HydrophobicContact CD1-CD1 3.75Å; I196-I209 HydrophobicContact CD1-CG2 4.49Å; I196-I209 HydrophobicContact CG1-CB 4.02Å; I196-I209 HydrophobicContact CG1-CD1 3.89Å; I196-I209 HydrophobicContact CG1-CG1 4.3Å; I196-I209 PolarHBondContact O-N 3.37Å; I209-D211 PolarHBondContact O-N 3.12Å; I209-L212 WeakPolarHBondContact O-CB 3.5Å; I209-L212 PolarHBondContact O-N 3.13Å; I209-L212 VanDerWaalsContact O-N 3.12Å
210	H	90.9	Very high	89.5	Confident	107 Å²	107	80.6 Å²	80.6	50%	0.495	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21.8	176.7	-175.8	-78.8	0	0	0	113.5	M186 R208 L212	M186-H210 HydrophobicContact CE-CB 4.12Å; R208-H210 VanDerWaalsContact C-N 3.29Å; R208-H210 HydrophobicContact CG-CB 4.28Å; R208-H210 PolarHBondContact O-N 3.41Å; H210-L212 VanDerWaalsContact C-N 3.31Å
211	D	93.1	Very high	89.3	Confident	109 Å²	109	80.3 Å²	80.3	58%	0.583	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-89.7	-3	179.5	-57.3	-16.1	0	0	0	111.8	R208 I209	R208-D211 HydrophobicContact CB-CB 4.42Å; R208-D211 WeakPolarHBondContact CB-OD2 3.22Å; R208-D211 PolarHBondContact O-N 2.76Å; R208-D211 VanDerWaalsContact O-N 3.1Å; I209-D211 PolarHBondContact O-N 3.12Å
212	L	92.8	Very high	89.2	Confident	13 Å²	13	79 Å²	79	7%	0.068	39%	0.385	C	S	.	.			trans	-87.7	153.1	173.8	-55.8	178.3	0	0	0	110	C175 V183 F204 I209 H210 F217	C175-L212 HydrophobicContact CB-CD1 4.43Å; V183-L212 HydrophobicContact CG1-CB 4.37Å; V183-L212 WeakPolarHBondContact CG1-O 3.36Å; V183-L212 HydrophobicContact CG2-CB 4.39Å; F204-L212 HydrophobicContact CD1-CD1 4.28Å; F204-L212 HydrophobicContact CD1-CD2 3.8Å; F204-L212 HydrophobicContact CE1-CD2 3.91Å; I209-L212 WeakPolarHBondContact O-CB 3.5Å; I209-L212 PolarHBondContact O-N 3.13Å; I209-L212 VanDerWaalsContact O-N 3.12Å; H210-L212 VanDerWaalsContact C-N 3.31Å; L212-F217 HydrophobicContact CB-CE2 4.31Å; L212-F217 HydrophobicContact CB-CZ 4.33Å; L212-F217 HydrophobicContact CD1-CE1 4.49Å; L212-F217 HydrophobicContact CD1-CZ 3.75Å
213	T	90.5	Very high	89.5	Confident	61 Å²	61	73.9 Å²	73.9	37%	0.374	37%	0.366	S	S	.	.			trans	-117.4	156.3	175	69.6	0	0	0	0	109.9	R215 D216 F217	T213-R215 PolarHBondContact O-N 3.24Å; T213-D216 WeakPolarHBondContact CA-OD2 3.32Å; T213-D216 PolarHBondContact N-OD2 3.28Å; T213-D216 WeakPolarHBondContact O-CB 3.5Å; T213-D216 PolarHBondContact O-N 3.45Å; T213-D216 PolarHBondContact OG1-OD2 3.29Å; T213-F217 WeakPolarHBondContact O-CD2 3.29Å
214	P	84.8	Confident	90	Very high	29 Å²	29	68 Å²	68	19%	0.188	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.3	175.1	-27.1	36	0	0	0	114.5	K180 D184	K180-P214 VanDerWaalsContact CE-O 3.24Å; K180-P214 WeakPolarHBondContact CE-O 3.22Å; K180-P214 HydrophobicContact CG-CB 4.36Å; D184-P214 HydrophobicContact CB-CG 4.12Å
215	R	83.5	Confident	90.2	Very high	234 Å²	234	67.8 Å²	67.8	88%	0.883	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.2	177.9	-63.1	-177.6	-178.1	-174.8	1.3	113.2	T213 F217	T213-R215 PolarHBondContact O-N 3.24Å; R215-F217 PolarHBondContact O-N 2.59Å
216	D	85.4	Confident	90.3	Very high	77 Å²	77	66.1 Å²	66.1	41%	0.412	34%	0.341	S	S	.	.	S	Bend	trans	-70.8	-13.8	176.8	-61.9	-48.3	0	0	0	112.1	F204 T213	F204-D216 HydrophobicContact CE1-CB 4.39Å; F204-D216 HydrophobicContact CZ-CB 4.45Å; T213-D216 WeakPolarHBondContact CA-OD2 3.32Å; T213-D216 PolarHBondContact N-OD2 3.28Å; T213-D216 WeakPolarHBondContact O-CB 3.5Å; T213-D216 PolarHBondContact O-N 3.45Å; T213-D216 PolarHBondContact OG1-OD2 3.29Å
217	F	85.4	Confident	90.4	Very high	11 Å²	11	66.6 Å²	66.6	5%	0.048	33%	0.326	C	S	.	.			trans	-105.8	108.7	177.7	-51.2	-83.6	0	0	0	111.7	C175 D176 I179 K180 V183 L212 T213 R215 C219	C175-F217 HydrophobicContact CB-CE1 4.36Å; D176-F217 WeakPolarHBondContact O-CD1 3.39Å; I179-F217 HydrophobicContact CG2-CE1 3.82Å; I179-F217 HydrophobicContact CG2-CZ 3.71Å; K180-F217 HydrophobicContact CB-CB 4.48Å; K180-F217 HydrophobicContact CB-CD2 4.11Å; K180-F217 HydrophobicContact CB-CG 4.29Å; K180-F217 HydrophobicContact CD-CB 4.22Å; K180-F217 HydrophobicContact CG-CB 4.46Å; K180-F217 HydrophobicContact CG-CD2 4.07Å; V183-F217 HydrophobicContact CB-CE2 4.34Å; V183-F217 HydrophobicContact CG1-CE2 4.47Å; V183-F217 HydrophobicContact CG2-CE2 3.88Å; V183-F217 HydrophobicContact CG2-CZ 4.05Å; L212-F217 HydrophobicContact CB-CE2 4.31Å; L212-F217 HydrophobicContact CB-CZ 4.33Å; L212-F217 HydrophobicContact CD1-CE1 4.49Å; L212-F217 HydrophobicContact CD1-CZ 3.75Å; T213-F217 WeakPolarHBondContact O-CD2 3.29Å; R215-F217 PolarHBondContact O-N 2.59Å; F217-C219 VanDerWaalsContact CB-SG 3.56Å; F217-C219 PolarHBondContact O-N 3.2Å
218	N	80.8	Confident	90.5	Very high	138 Å²	138	61.3 Å²	61.3	74%	0.738	31%	0.308	S	S	*	.			trans	-82.7	92.6	169.8	-171.8	5.8	0	0	0	110.7
219	C	82.9	Confident	90.6	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.02	31%	0.313	C	S	.	.			trans	-98.3	-3.7	-172	-58.8	0	0	0	0	115.6	C177 F217 S221 L547	C177-C219 WeakPolarHBondContact CA-SG 3.45Å; C177-C219 HydrophobicContact CB-CB 3.69Å; C177-C219 WeakPolarHBondContact CB-SG 3.25Å; C177-C219 WeakPolarHBondContact SG-CA 3.47Å; C177-C219 WeakPolarHBondContact SG-CB 3.13Å; C177-C219 CovalentContact SG-SG 2.04Å; C177-C219 PolarHBondContact SG-SG 3.02Å; F217-C219 VanDerWaalsContact CB-SG 3.56Å; F217-C219 PolarHBondContact O-N 3.2Å; C219-S221 PolarHBondContact O-N 2.88Å; C219-L547 HydrophobicContact CB-CB 4.37Å; C219-L547 WeakPolarHBondContact O-CB 3.38Å; C219-L547 WeakPolarHBondContact O-CG 3.36Å; C219-L547 PolarHBondContact O-N 3.44Å
220	I	82.6	Confident	90.7	Very high	92 Å²	92	60.6 Å²	60.6	47%	0.472	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	104.9	174.6	-58.6	179.2	0	0	0	107	R479 I544	I220-R479 PolarHBondContact O-NH2 3Å; I220-I544 HydrophobicContact CG2-CG2 3.39Å
221	S	85.9	Confident	90.9	Very high	34 Å²	34	60.9 Å²	60.9	24%	0.238	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-171.8	170.4	-163.9	0	0	0	0	110.2	C219 V545	C219-S221 PolarHBondContact O-N 2.88Å; S221-V545 PolarHBondContact N-O 3.39Å; S221-V545 PolarHBondContact O-N 2.95Å
222	A	90.4	Very high	91.1	Very high	9 Å²	9	57.1 Å²	57.1	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	172.3	167.1	0	0	0	0	0	110.4	R479 F506 H542 L543	A222-R479 VanDerWaalsContact N-NH1 3.1Å; A222-F506 HydrophobicContact CB-CZ 3.97Å; A222-F506 WeakPolarHBondContact O-CZ 3.45Å; A222-H542 WeakPolarHBondContact CB-NE2 3.34Å; A222-L543 CarbonylContact C-O 3.58Å; A222-L543 WeakPolarHBondContact CA-O 3.27Å; A222-L543 WeakPolarHBondContact CB-O 3.33Å
223	D	93.8	Very high	91.3	Very high	65 Å²	65	59.5 Å²	59.5	35%	0.348	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.1	175.2	-166	21.9	0	0	0	109	Q507 L543 V545	D223-Q507 PolarHBondContact OD1-NE2 3.37Å; D223-Q507 PolarHBondContact OD1-OE1 2.93Å; D223-L543 PolarHBondContact N-O 3.06Å; D223-L543 PolarHBondContact O-N 2.54Å; D223-V545 HydrophobicContact CB-CG2 3.91Å
224	F	96.9	Very high	91.7	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	102.4	169.7	-67.6	-92.7	0	0	0	108.4	F474 Y481 V493 F506 Q507 L509 L528 Y540 Q541 H542	F224-F474 AromaticContact CE1-CE2 3.69Å; F224-F474 HydrophobicContact CE1-CE2 3.69Å; F224-F474 AromaticContact CE1-CZ 3.87Å; F224-F474 HydrophobicContact CE1-CZ 3.87Å; F224-F474 HydrophobicContact CE2-CZ 4.39Å; F224-F474 AromaticContact CZ-CE2 3.48Å; F224-F474 HydrophobicContact CZ-CE2 3.48Å; F224-F474 VanDerWaalsContact CZ-CE2 3.48Å; F224-F474 AromaticContact CZ-CZ 3.53Å; F224-F474 HydrophobicContact CZ-CZ 3.53Å; F224-Y481 HydrophobicContact CE2-CD1 4.14Å; F224-Y481 AromaticContact CE2-CE1 3.95Å; F224-Y481 HydrophobicContact CE2-CE1 3.95Å; F224-Y481 HydrophobicContact CE2-CG 4.5Å; F224-Y481 HydrophobicContact CZ-CD1 4.38Å; F224-Y481 HydrophobicContact CZ-CD2 4.23Å; F224-Y481 HydrophobicContact CZ-CE1 4.38Å; F224-Y481 HydrophobicContact CZ-CE2 4.24Å; F224-Y481 HydrophobicContact CZ-CG 4.29Å; F224-V493 HydrophobicContact CD2-CG1 4.24Å; F224-V493 HydrophobicContact CD2-CG2 4.37Å; F224-V493 HydrophobicContact CE2-CG1 3.8Å; F224-F506 HydrophobicContact CD2-CE1 4.11Å; F224-F506 HydrophobicContact CE2-CD1 4.35Å; F224-F506 AromaticContact CE2-CE1 3.99Å; F224-F506 HydrophobicContact CE2-CE1 3.99Å; F224-Q507 VanDerWaalsContact CB-OE1 3.31Å; F224-Q507 VanDerWaalsContact CD2-OE1 3.32Å; F224-Q507 PolarHBondContact O-NE2 3.1Å; F224-L509 HydrophobicContact CB-CD2 4.12Å; F224-L528 HydrophobicContact CD1-CB 4.45Å; F224-L528 HydrophobicContact CD1-CD2 4.22Å; F224-L528 HydrophobicContact CE1-CB 4.49Å; F224-L528 HydrophobicContact CE1-CD2 4.2Å; F224-Y540 HydrophobicContact CB-CD1 4.44Å; F224-Q541 WeakPolarHBondContact CA-O 3.43Å; F224-H542 HydrophobicContact CD1-CB 4.33Å; F224-H542 HydrophobicContact CE1-CB 4.07Å; F224-H542 AromaticContact CE1-CD2 3.77Å; F224-H542 AromaticContact CE2-CD2 3.92Å; F224-H542 AromaticContact CZ-CD2 3.49Å; F224-H542 VanDerWaalsContact CZ-CD2 3.49Å; F224-H542 WeakPolarHBondContact CZ-CD2 3.3Å
225	A	96.4	Very high	92.3	Very high	31 Å²	31	56.6 Å²	56.6	26%	0.256	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144	179.9	0	0	0	0	0	110.4	Y227 Y540 Q541 L543	A225-Y227 PolarHBondContact O-N 3.32Å; A225-Y227 VanDerWaalsContact O-N 3.14Å; A225-Y540 CarbonylContact O-C 3.48Å; A225-Y540 WeakPolarHBondContact O-CA 3.43Å; A225-Q541 PolarHBondContact N-O 3.13Å; A225-Q541 PolarHBondContact O-N 2.7Å; A225-L543 HydrophobicContact CB-CD1 3.75Å
226	V	97.7	Very high	93	Very high	84 Å²	84	45.5 Å²	45.5	51%	0.509	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	121.5	174.3	178.1	0	0	0	0	108.8	Y540	V226-Y540 HydrophobicContact CG2-CD1 4.03Å; V226-Y540 HydrophobicContact CG2-CE1 3.56Å
227	Y	97.7	Very high	93.6	Very high	63 Å²	63	41.9 Å²	41.9	25%	0.247	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-53.8	-179.2	-172.9	-109.1	0	0	0	111.3	A225 W263 M268 K525 I527 A539 Q541	A225-Y227 PolarHBondContact O-N 3.32Å; A225-Y227 VanDerWaalsContact O-N 3.14Å; Y227-W263 HydrophobicContact CE1-CH2 4.15Å; Y227-W263 HydrophobicContact CE1-CZ3 4.23Å; Y227-M268 WeakPolarHBondContact CE1-O 3.33Å; Y227-M268 PolarHBondContact OH-O 3.48Å; Y227-K525 PolarHBondContact OH-NZ 3.15Å; Y227-I527 HydrophobicContact CD1-CD1 4.14Å; Y227-I527 HydrophobicContact CE1-CD1 4.02Å; Y227-A539 PolarHBondContact N-O 3.1Å; Y227-Q541 HydrophobicContact CD2-CB 3.77Å; Y227-Q541 HydrophobicContact CD2-CG 4.36Å; Y227-Q541 VanDerWaalsContact CD2-OE1 3.25Å; Y227-Q541 HydrophobicContact CG-CB 4.06Å
228	E	97.6	Very high	94.2	Very high	35 Å²	35	42.8 Å²	42.8	16%	0.164	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.8	-176.8	-163.4	177.5	155.5	0	0	109.6	F230 F270 A539	E228-F230 HydrophobicContact CG-CE1 4.42Å; E228-F230 HydrophobicContact CG-CZ 4.32Å; E228-F230 VanDerWaalsContact OE1-CE1 3.27Å; E228-F230 WeakPolarHBondContact OE1-CE1 3.28Å; E228-F270 PolarHBondContact OE2-N 3.38Å; E228-A539 HydrophobicContact CB-CB 3.95Å; E228-A539 PolarHBondContact N-O 3.05Å; E228-A539 PolarHBondContact O-N 3.34Å
229	T	97.9	Very high	95	Very high	70 Å²	70	37.7 Å²	37.7	43%	0.429	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.7	175.6	-63.2	0	0	0	0	109.1	N536 L538	T229-N536 HydrophobicContact CG2-CB 3.7Å; T229-N536 WeakPolarHBondContact CG2-ND2 3.29Å; T229-L538 HydrophobicContact CG2-CD2 3.91Å
230	F	97.4	Very high	95.7	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.1	176.4	-58.6	-79.6	0	0	0	109.2	E228 F232 F250 F261 F270 L529 N536 T537 A539	E228-F230 HydrophobicContact CG-CE1 4.42Å; E228-F230 HydrophobicContact CG-CZ 4.32Å; E228-F230 VanDerWaalsContact OE1-CE1 3.27Å; E228-F230 WeakPolarHBondContact OE1-CE1 3.28Å; F230-F232 HydrophobicContact CB-CD1 4.06Å; F230-F232 HydrophobicContact CB-CE1 3.55Å; F230-F232 HydrophobicContact CB-CE2 4.07Å; F230-F232 HydrophobicContact CB-CZ 3.55Å; F230-F232 HydrophobicContact CD1-CE1 4.13Å; F230-F232 HydrophobicContact CD1-CZ 4.1Å; F230-F232 HydrophobicContact CG-CE1 4.19Å; F230-F232 AromaticContact CG-CZ 3.96Å; F230-F232 HydrophobicContact CG-CZ 3.96Å; F230-F232 PolarHBondContact O-N 2.8Å; F230-F250 HydrophobicContact CD2-CZ 4.34Å; F230-F250 HydrophobicContact CE2-CZ 4.12Å; F230-F250 HydrophobicContact CZ-CZ 4.32Å; F230-F261 HydrophobicContact CD1-CE1 4.11Å; F230-F261 HydrophobicContact CD1-CZ 4.39Å; F230-F261 HydrophobicContact CE1-CD1 4.09Å; F230-F261 HydrophobicContact CE1-CE1 4.11Å; F230-F270 HydrophobicContact CE1-CB 4.03Å; F230-F270 HydrophobicContact CZ-CB 4.06Å; F230-F270 HydrophobicContact CZ-CD2 4.28Å; F230-F270 HydrophobicContact CZ-CG 4.5Å; F230-L529 HydrophobicContact CE2-CD2 4.01Å; F230-L529 HydrophobicContact CZ-CD2 4.33Å; F230-N536 WeakPolarHBondContact O-CB 3.37Å; F230-T537 HydrophobicContact CB-CG2 4.34Å; F230-T537 WeakPolarHBondContact CB-O 3.18Å; F230-T537 HydrophobicContact CD2-CG2 3.92Å; F230-T537 HydrophobicContact CG-CG2 4.46Å; F230-T537 PolarHBondContact N-O 2.95Å; F230-T537 PolarHBondContact O-N 3.37Å; F230-A539 HydrophobicContact CE2-CB 4.01Å
231	P	96.3	Very high	96.4	Very high	113 Å²	113	39.6 Å²	39.6	73%	0.734	22%	0.22	S	C	*	.	S	Bend	trans	-78.9	46	-171.6	34.5	-37.8	0	0	0	112.8
232	F	96.4	Very high	96.8	Very high	30 Å²	30	38.4 Å²	38.4	13%	0.132	21%	0.21	C	C	.	.	S	Bend	trans	-148.6	160	177.6	57.5	-105.5	0	0	0	111.4	F230 F250 Q252 F261 T537	F230-F232 HydrophobicContact CB-CD1 4.06Å; F230-F232 HydrophobicContact CB-CE1 3.55Å; F230-F232 HydrophobicContact CB-CE2 4.07Å; F230-F232 HydrophobicContact CB-CZ 3.55Å; F230-F232 HydrophobicContact CD1-CE1 4.13Å; F230-F232 HydrophobicContact CD1-CZ 4.1Å; F230-F232 HydrophobicContact CG-CE1 4.19Å; F230-F232 AromaticContact CG-CZ 3.96Å; F230-F232 HydrophobicContact CG-CZ 3.96Å; F230-F232 PolarHBondContact O-N 2.8Å; F232-F250 HydrophobicContact CE2-CB 4.22Å; F232-F250 HydrophobicContact CE2-CD1 4.26Å; F232-F250 HydrophobicContact CE2-CD2 4.24Å; F232-F250 HydrophobicContact CE2-CG 4Å; F232-F250 AromaticContact CZ-CD2 3.95Å; F232-F250 HydrophobicContact CZ-CD2 3.95Å; F232-F250 HydrophobicContact CZ-CE2 4.18Å; F232-F250 HydrophobicContact CZ-CG 4.19Å; F232-Q252 VanDerWaalsContact CD2-CD 3.43Å; F232-Q252 HydrophobicContact CD2-CG 3.98Å; F232-Q252 HydrophobicContact CE2-CG 4.27Å; F232-F261 AromaticContact CE1-CE2 3.96Å; F232-F261 HydrophobicContact CE1-CE2 3.96Å; F232-F261 AromaticContact CE1-CZ 3.67Å; F232-F261 HydrophobicContact CE1-CZ 3.67Å; F232-F261 AromaticContact CZ-CE2 3.93Å; F232-F261 HydrophobicContact CZ-CE2 3.93Å; F232-F261 HydrophobicContact CZ-CZ 4.06Å; F232-T537 HydrophobicContact CE2-CG2 4.22Å; F232-T537 PolarHBondContact O-N 3.37Å; F232-T537 PolarHBondContact O-OG1 2.69Å
233	Q	97.4	Very high	97	Very high	63 Å²	63	41.3 Å²	41.3	29%	0.294	23%	0.225	S	C	.	.			trans	-88.4	146.8	172.2	-67.7	167.9	1.1	0	0	110.4	D254 S532 F533 G535	Q233-D254 PolarHBondContact OE1-OD2 2.86Å; Q233-S532 CarbonylContact C-O 3.43Å; Q233-S532 VanDerWaalsContact CA-O 3.27Å; Q233-S532 WeakPolarHBondContact CA-O 3.49Å; Q233-F533 PolarHBondContact OE1-O 3.31Å; Q233-G535 VanDerWaalsContact CG-O 3.25Å; Q233-G535 WeakPolarHBondContact CG-O 3.32Å
234	S	97.9	Very high	96.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	25%	0.245	C	C	.	.			trans	-146.4	154	176.1	62.4	0	0	0	0	111.6	A251 A531 S532 T537	S234-A251 CarbonylContact C-O 3.57Å; S234-A251 VanDerWaalsContact CA-O 3.23Å; S234-A251 WeakPolarHBondContact CA-O 3.3Å; S234-A251 WeakPolarHBondContact CB-O 3.48Å; S234-A531 VanDerWaalsContact OG-CA 3.28Å; S234-A531 WeakPolarHBondContact OG-CA 3.43Å; S234-A531 VanDerWaalsContact OG-CB 3.23Å; S234-A531 WeakPolarHBondContact OG-CB 3.48Å; S234-S532 PolarHBondContact N-O 2.91Å; S234-S532 CarbonylContact O-C 3.56Å; S234-S532 PolarHBondContact O-N 3.35Å; S234-S532 VanDerWaalsContact O-O 3.05Å; S234-T537 PolarHBondContact OG-OG1 3.35Å
235	V	97.9	Very high	96.8	Very high	29 Å²	29	47.8 Å²	47.8	18%	0.176	26%	0.259	C	S	.	.	S	Bend	trans	-112.1	-22.7	-179.7	-66	0	0	0	0	113.4	A251 P253 V282 R515 F533	V235-A251 HydrophobicContact CG2-CB 3.81Å; V235-A251 PolarHBondContact N-O 3.25Å; V235-P253 HydrophobicContact CG1-CG 3.76Å; V235-P253 HydrophobicContact CG2-CG 4.11Å; V235-V282 WeakPolarHBondContact CG2-O 3.44Å; V235-R515 WeakPolarHBondContact O-CB 3.43Å; V235-F533 HydrophobicContact CG1-CD2 3.54Å; V235-F533 HydrophobicContact CG1-CE2 4.04Å
236	S	98.1	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.2	171.1	80.1	0	0	0	0	110	F250 A251	S236-F250 WeakPolarHBondContact O-CA 3.39Å; S236-A251 PolarHBondContact O-N 2.99Å; S236-A251 VanDerWaalsContact O-N 3.17Å; S236-A251 WeakPolarHBondContact OG-CB 3.25Å
237	V	98.5	Very high	96.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.3	168.6	58.2	0	0	0	0	108.4	V248 A249 F250 A516 L529 A531	V237-V248 HydrophobicContact CG2-CG1 3.56Å; V237-A249 WeakPolarHBondContact CA-O 3.47Å; V237-F250 HydrophobicContact CB-CD1 3.77Å; V237-F250 HydrophobicContact CB-CE1 3.78Å; V237-F250 HydrophobicContact CG2-CD1 3.68Å; V237-F250 HydrophobicContact CG2-CE1 3.3Å; V237-F250 HydrophobicContact CG2-CZ 3.99Å; V237-A516 HydrophobicContact CG1-CB 3.97Å; V237-L529 HydrophobicContact CG1-CB 4.43Å; V237-L529 HydrophobicContact CG2-CB 3.82Å; V237-L529 HydrophobicContact CG2-CD1 4.05Å; V237-L529 HydrophobicContact CG2-CG 4.5Å; V237-A531 HydrophobicContact CB-CB 4.21Å; V237-A531 HydrophobicContact CG1-CB 3.96Å
238	E	98	Very high	97	Very high	31 Å²	31	41.2 Å²	41.2	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.4	177.3	-75.2	-75.6	-155	0	0	109.2	V248 A249 Y283 K285 P286	E238-V248 CarbonylContact O-C 3.52Å; E238-V248 WeakPolarHBondContact O-CA 3.47Å; E238-A249 PolarHBondContact N-O 3.1Å; E238-A249 PolarHBondContact O-N 2.92Å; E238-Y283 HydrophobicContact CG-CE1 3.82Å; E238-Y283 PolarHBondContact OE1-OH 3.47Å; E238-K285 HydrophobicContact CG-CD 4.26Å; E238-K285 VanDerWaalsContact OE1-CD 3.25Å; E238-K285 WeakPolarHBondContact OE1-CD 3.36Å; E238-K285 IonicContact OE1-NZ 3.19Å; E238-K285 PolarHBondContact OE1-NZ 2.93Å; E238-P286 HydrophobicContact CB-CG 4.19Å
239	S	97.4	Very high	97	Very high	30 Å²	30	39.6 Å²	39.6	21%	0.21	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	147.7	170.8	57	0	0	0	0	110.5	F247 S518 L519	S239-F247 WeakPolarHBondContact CA-O 3.28Å; S239-S518 WeakPolarHBondContact CB-OG 3.35Å; S239-S518 PolarHBondContact N-OG 3.03Å; S239-S518 VanDerWaalsContact N-OG 3.15Å; S239-S518 PolarHBondContact OG-OG 2.77Å; S239-L519 PolarHBondContact OG-O 3.33Å
240	Y	97.3	Very high	97	Very high	22 Å²	22	36.2 Å²	36.2	9%	0.086	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	154.8	179.8	64.5	-75.4	0	0	0	110.5	F242 F247 A249 L260 P286 L293	Y240-F242 HydrophobicContact CD2-CB 4.16Å; Y240-F242 HydrophobicContact CE2-CB 4.08Å; Y240-F247 HydrophobicContact CD1-CB 3.9Å; Y240-F247 HydrophobicContact CD2-CB 4.1Å; Y240-F247 HydrophobicContact CE1-CB 3.4Å; Y240-F247 HydrophobicContact CE1-CG 4.49Å; Y240-F247 HydrophobicContact CE2-CB 3.62Å; Y240-F247 HydrophobicContact CE2-CD2 4.26Å; Y240-F247 HydrophobicContact CE2-CG 4.01Å; Y240-F247 HydrophobicContact CG-CB 4.24Å; Y240-F247 AromaticContact CZ-CG 3.89Å; Y240-F247 PolarHBondContact N-O 2.77Å; Y240-F247 PolarHBondContact O-N 2.85Å; Y240-A249 HydrophobicContact CE1-CB 4.12Å; Y240-L260 WeakPolarHBondContact OH-CD2 3.26Å; Y240-P286 HydrophobicContact CD1-CB 3.62Å; Y240-P286 HydrophobicContact CD1-CG 3.41Å; Y240-P286 VanDerWaalsContact CD1-CG 3.41Å; Y240-P286 HydrophobicContact CD2-CB 3.89Å; Y240-P286 HydrophobicContact CD2-CG 4.41Å; Y240-P286 HydrophobicContact CE1-CB 3.92Å; Y240-P286 HydrophobicContact CE1-CG 4.07Å; Y240-P286 HydrophobicContact CE2-CB 4.17Å; Y240-P286 HydrophobicContact CG-CB 3.58Å; Y240-P286 HydrophobicContact CG-CG 3.6Å; Y240-L293 HydrophobicContact CD2-CD1 4.14Å; Y240-L293 HydrophobicContact CE2-CD1 3.73Å; Y240-L293 HydrophobicContact CE2-CD2 3.84Å; Y240-L293 HydrophobicContact CE2-CG 4.47Å
241	E	96.6	Very high	97	Very high	113 Å²	113	36.1 Å²	36.1	53%	0.528	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.1	174.1	-172.1	177.1	147	0	0	109.5	D245 Q246	E241-D245 WeakPolarHBondContact CA-O 3.41Å; E241-Q246 PolarHBondContact OE2-NE2 2.89Å
242	F	96.1	Very high	97.1	Very high	10 Å²	10	31.2 Å²	31.2	4%	0.044	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	129.1	175.6	179.7	-115.5	0	0	0	109.4	Y240 D244 D245 F247 V288 L293 W309	Y240-F242 HydrophobicContact CD2-CB 4.16Å; Y240-F242 HydrophobicContact CE2-CB 4.08Å; F242-D244 VanDerWaalsContact C-N 3.28Å; F242-D244 PolarHBondContact O-N 2.9Å; F242-D245 PolarHBondContact N-O 2.81Å; F242-D245 PolarHBondContact O-N 2.81Å; F242-D245 VanDerWaalsContact O-N 3.13Å; F242-F247 HydrophobicContact CB-CD2 4.01Å; F242-F247 HydrophobicContact CB-CE2 4.01Å; F242-F247 HydrophobicContact CD1-CE2 4.33Å; F242-F247 WeakPolarHBondContact O-CE2 3.37Å; F242-V288 HydrophobicContact CD2-CG1 4.19Å; F242-V288 HydrophobicContact CD2-CG2 4.1Å; F242-L293 HydrophobicContact CD1-CB 4.39Å; F242-L293 HydrophobicContact CD1-CD2 4.06Å; F242-L293 HydrophobicContact CD2-CB 3.88Å; F242-L293 HydrophobicContact CE1-CB 4.18Å; F242-L293 HydrophobicContact CE1-CD2 4.32Å; F242-L293 HydrophobicContact CE2-CB 3.66Å; F242-L293 HydrophobicContact CG-CB 4.25Å; F242-L293 HydrophobicContact CG-CD2 4.28Å; F242-L293 HydrophobicContact CZ-CB 3.82Å; F242-W309 AromaticContact CE1-CD1 3.82Å; F242-W309 AromaticContact CE1-NE1 3.97Å; F242-W309 AromaticContact CZ-CD1 3.86Å
243	N	93.6	Very high	96.7	Very high	70 Å²	70	31.3 Å²	31.3	37%	0.374	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	45.3	-176.6	-64.6	-20.6	0	0	0	113.4	D245 N291	N243-D245 PolarHBondContact O-N 2.93Å; N243-N291 PolarHBondContact OD1-ND2 2.82Å
244	D	92.3	Very high	96.3	Very high	145 Å²	145	33.9 Å²	33.9	78%	0.775	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	3.4	-179.3	-53.4	-45.7	0	0	0	115.9	F242	F242-D244 VanDerWaalsContact C-N 3.28Å; F242-D244 PolarHBondContact O-N 2.9Å
245	D	95.3	Very high	95.9	Very high	59 Å²	59	36.9 Å²	36.9	32%	0.316	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	153.1	174	-84	-40.6	0	0	0	111.5	E241 F242 N243 F247 V262 H265	E241-D245 WeakPolarHBondContact CA-O 3.41Å; F242-D245 PolarHBondContact N-O 2.81Å; F242-D245 PolarHBondContact O-N 2.81Å; F242-D245 VanDerWaalsContact O-N 3.13Å; N243-D245 PolarHBondContact O-N 2.93Å; D245-F247 HydrophobicContact CB-CD2 4.24Å; D245-F247 HydrophobicContact CB-CE2 3.53Å; D245-F247 HydrophobicContact CB-CZ 4.13Å; D245-F247 WeakPolarHBondContact O-CD2 3.45Å; D245-V262 HydrophobicContact CB-CG2 4.24Å; D245-H265 IonicContact OD1-CD2 2.97Å; D245-H265 IonicContact OD1-NE2 2.69Å; D245-H265 PolarHBondContact OD1-NE2 3.35Å
246	Q	97.4	Very high	95.7	Very high	34 Å²	34	36 Å²	36	16%	0.159	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.1	176.9	-65.9	-63.4	-38.9	0	0	111.1	E241 W263 V522	E241-Q246 PolarHBondContact OE2-NE2 2.89Å; Q246-W263 HydrophobicContact CB-CB 4.15Å; Q246-W263 PolarHBondContact O-N 2.89Å; Q246-V522 HydrophobicContact CB-CG2 4.21Å; Q246-V522 HydrophobicContact CG-CB 4.08Å; Q246-V522 HydrophobicContact CG-CG2 3.85Å
247	F	98.1	Very high	95.6	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.8	-179.2	-68	-97	0	0	0	112.3	S239 Y240 F242 D245 F261 V262 Y273	S239-F247 WeakPolarHBondContact CA-O 3.28Å; Y240-F247 HydrophobicContact CD1-CB 3.9Å; Y240-F247 HydrophobicContact CD2-CB 4.1Å; Y240-F247 HydrophobicContact CE1-CB 3.4Å; Y240-F247 HydrophobicContact CE1-CG 4.49Å; Y240-F247 HydrophobicContact CE2-CB 3.62Å; Y240-F247 HydrophobicContact CE2-CD2 4.26Å; Y240-F247 HydrophobicContact CE2-CG 4.01Å; Y240-F247 HydrophobicContact CG-CB 4.24Å; Y240-F247 AromaticContact CZ-CG 3.89Å; Y240-F247 PolarHBondContact N-O 2.77Å; Y240-F247 PolarHBondContact O-N 2.85Å; F242-F247 HydrophobicContact CB-CD2 4.01Å; F242-F247 HydrophobicContact CB-CE2 4.01Å; F242-F247 HydrophobicContact CD1-CE2 4.33Å; F242-F247 WeakPolarHBondContact O-CE2 3.37Å; D245-F247 HydrophobicContact CB-CD2 4.24Å; D245-F247 HydrophobicContact CB-CE2 3.53Å; D245-F247 HydrophobicContact CB-CZ 4.13Å; D245-F247 WeakPolarHBondContact O-CD2 3.45Å; F247-F261 CarbonylContact C-O 2.97Å; F247-F261 WeakPolarHBondContact CA-O 3.47Å; F247-F261 WeakPolarHBondContact CD1-O 3.48Å; F247-V262 HydrophobicContact CD1-CB 3.78Å; F247-V262 HydrophobicContact CD1-CG2 3.99Å; F247-V262 HydrophobicContact CE1-CB 3.56Å; F247-V262 HydrophobicContact CE1-CG2 3.55Å; F247-V262 HydrophobicContact CE2-CG2 4.19Å; F247-V262 HydrophobicContact CG-CG2 4.49Å; F247-V262 HydrophobicContact CZ-CB 4.21Å; F247-V262 HydrophobicContact CZ-CG2 3.65Å; F247-Y273 HydrophobicContact CD1-CD1 4.34Å; F247-Y273 AromaticContact CE1-CD1 3.75Å; F247-Y273 HydrophobicContact CE1-CD1 3.75Å; F247-Y273 HydrophobicContact CE1-CD2 4.31Å; F247-Y273 AromaticContact CE1-CE1 3.94Å; F247-Y273 HydrophobicContact CE1-CE1 3.94Å; F247-Y273 HydrophobicContact CE1-CE2 4.49Å; F247-Y273 AromaticContact CE1-CG 3.94Å; F247-Y273 HydrophobicContact CE1-CG 3.94Å
248	V	98.4	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.6	174.7	-176.4	0	0	0	0	109.6	V237 E238 F250 L260 F261 F270 V520 L529	V237-V248 HydrophobicContact CG2-CG1 3.56Å; E238-V248 CarbonylContact O-C 3.52Å; E238-V248 WeakPolarHBondContact O-CA 3.47Å; V248-F250 HydrophobicContact CB-CE2 4.14Å; V248-F250 HydrophobicContact CB-CZ 4.45Å; V248-F250 HydrophobicContact CG1-CD2 4.06Å; V248-F250 HydrophobicContact CG1-CE1 4.02Å; V248-F250 HydrophobicContact CG1-CE2 3.44Å; V248-F250 VanDerWaalsContact CG1-CE2 3.44Å; V248-F250 HydrophobicContact CG1-CZ 3.43Å; V248-F250 VanDerWaalsContact CG1-CZ 3.43Å; V248-L260 CarbonylContact O-C 3.54Å; V248-L260 VanDerWaalsContact O-CA 3.32Å; V248-L260 WeakPolarHBondContact O-CA 3.31Å; V248-F261 HydrophobicContact CB-CB 4.47Å; V248-F261 PolarHBondContact N-O 3.47Å; V248-F261 PolarHBondContact O-N 2.95Å; V248-F270 HydrophobicContact CG2-CD1 3.92Å; V248-F270 HydrophobicContact CG2-CE1 3.44Å; V248-F270 VanDerWaalsContact CG2-CE1 3.44Å; V248-F270 HydrophobicContact CG2-CE2 4.41Å; V248-F270 HydrophobicContact CG2-CZ 3.71Å; V248-V520 HydrophobicContact CG2-CG2 4.32Å; V248-L529 HydrophobicContact CB-CD1 4.27Å; V248-L529 HydrophobicContact CG1-CD1 3.66Å; V248-L529 HydrophobicContact CG2-CD1 3.52Å
249	A	98.4	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.6	173.7	0	0	0	0	0	110.8	V237 E238 Y240 T259 C284 M295	V237-A249 WeakPolarHBondContact CA-O 3.47Å; E238-A249 PolarHBondContact N-O 3.1Å; E238-A249 PolarHBondContact O-N 2.92Å; Y240-A249 HydrophobicContact CE1-CB 4.12Å; A249-T259 WeakPolarHBondContact CA-O 3.37Å; A249-C284 HydrophobicContact CB-CB 4.45Å; A249-M295 HydrophobicContact CB-CE 4.09Å
250	F	98.4	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.6	174.5	-59.3	-85.1	0	0	0	111.3	F230 F232 S236 V237 V248 Q252 C258 T259 F261 L529 T537	F230-F250 HydrophobicContact CD2-CZ 4.34Å; F230-F250 HydrophobicContact CE2-CZ 4.12Å; F230-F250 HydrophobicContact CZ-CZ 4.32Å; F232-F250 HydrophobicContact CE2-CB 4.22Å; F232-F250 HydrophobicContact CE2-CD1 4.26Å; F232-F250 HydrophobicContact CE2-CD2 4.24Å; F232-F250 HydrophobicContact CE2-CG 4Å; F232-F250 AromaticContact CZ-CD2 3.95Å; F232-F250 HydrophobicContact CZ-CD2 3.95Å; F232-F250 HydrophobicContact CZ-CE2 4.18Å; F232-F250 HydrophobicContact CZ-CG 4.19Å; S236-F250 WeakPolarHBondContact O-CA 3.39Å; V237-F250 HydrophobicContact CB-CD1 3.77Å; V237-F250 HydrophobicContact CB-CE1 3.78Å; V237-F250 HydrophobicContact CG2-CD1 3.68Å; V237-F250 HydrophobicContact CG2-CE1 3.3Å; V237-F250 HydrophobicContact CG2-CZ 3.99Å; V248-F250 HydrophobicContact CB-CE2 4.14Å; V248-F250 HydrophobicContact CB-CZ 4.45Å; V248-F250 HydrophobicContact CG1-CD2 4.06Å; V248-F250 HydrophobicContact CG1-CE1 4.02Å; V248-F250 HydrophobicContact CG1-CE2 3.44Å; V248-F250 VanDerWaalsContact CG1-CE2 3.44Å; V248-F250 HydrophobicContact CG1-CZ 3.43Å; V248-F250 VanDerWaalsContact CG1-CZ 3.43Å; F250-Q252 HydrophobicContact CB-CG 4.31Å; F250-C258 CarbonylContact O-C 3.53Å; F250-C258 VanDerWaalsContact O-CA 3.3Å; F250-C258 WeakPolarHBondContact O-CA 3.1Å; F250-T259 PolarHBondContact N-O 2.74Å; F250-T259 PolarHBondContact O-N 3.49Å; F250-F261 AromaticContact CD2-CD2 3.76Å; F250-F261 HydrophobicContact CD2-CD2 3.76Å; F250-F261 HydrophobicContact CD2-CE2 4.04Å; F250-F261 AromaticContact CE2-CD2 3.77Å; F250-F261 HydrophobicContact CE2-CD2 3.77Å; F250-F261 HydrophobicContact CE2-CE2 4.22Å; F250-F261 HydrophobicContact CE2-CG 4.29Å; F250-L529 HydrophobicContact CZ-CD2 4.3Å; F250-T537 HydrophobicContact CD1-CG2 3.95Å; F250-T537 HydrophobicContact CE1-CG2 3.45Å; F250-T537 VanDerWaalsContact CE1-CG2 3.45Å; F250-T537 HydrophobicContact CZ-CG2 4.15Å
251	A	98.2	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.6	166	0	0	0	0	0	110.2	S234 V235 S236 P253 A281 C284	S234-A251 CarbonylContact C-O 3.57Å; S234-A251 VanDerWaalsContact CA-O 3.23Å; S234-A251 WeakPolarHBondContact CA-O 3.3Å; S234-A251 WeakPolarHBondContact CB-O 3.48Å; V235-A251 HydrophobicContact CG2-CB 3.81Å; V235-A251 PolarHBondContact N-O 3.25Å; S236-A251 PolarHBondContact O-N 2.99Å; S236-A251 VanDerWaalsContact O-N 3.17Å; S236-A251 WeakPolarHBondContact OG-CB 3.25Å; A251-P253 WeakPolarHBondContact O-CD 3.14Å; A251-A281 HydrophobicContact CB-CB 4.03Å; A251-C284 WeakPolarHBondContact CA-SG 3.22Å; A251-C284 WeakPolarHBondContact CB-SG 3.49Å
252	Q	96.4	Very high	95.6	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	88	-178.7	-55.1	-172.3	18.6	0	0	110.3	F232 F250 D254 T255 G256 F257 T259	F232-Q252 VanDerWaalsContact CD2-CD 3.43Å; F232-Q252 HydrophobicContact CD2-CG 3.98Å; F232-Q252 HydrophobicContact CE2-CG 4.27Å; F250-Q252 HydrophobicContact CB-CG 4.31Å; Q252-D254 VanDerWaalsContact C-N 3.31Å; Q252-D254 PolarHBondContact O-N 3.46Å; Q252-T255 WeakPolarHBondContact CB-OG1 3.41Å; Q252-T255 PolarHBondContact O-N 2.89Å; Q252-T255 PolarHBondContact O-OG1 2.79Å; Q252-T255 PolarHBondContact OE1-OG1 3.33Å; Q252-G256 PolarHBondContact O-N 2.97Å; Q252-F257 WeakPolarHBondContact CB-O 3.49Å; Q252-F257 PolarHBondContact N-O 2.88Å; Q252-F257 PolarHBondContact O-N 2.69Å; Q252-T259 HydrophobicContact CG-CG2 4.3Å; Q252-T259 PolarHBondContact NE2-OG1 2.83Å
253	P	88.8	Confident	95.7	Very high	33 Å²	33	32.1 Å²	32.1	21%	0.214	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-37.4	-175.9	22.2	-32.3	0	0	0	112.4	V235 A251 G256	V235-P253 HydrophobicContact CG1-CG 3.76Å; V235-P253 HydrophobicContact CG2-CG 4.11Å; A251-P253 WeakPolarHBondContact O-CD 3.14Å; P253-G256 PolarHBondContact O-N 3.03Å
254	D	88.4	Confident	95.9	Very high	116 Å²	116	30.1 Å²	30.1	62%	0.62	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-35	-175.8	-77	19.7	0	0	0	113	Q233 Q252	Q233-D254 PolarHBondContact OE1-OD2 2.86Å; Q252-D254 VanDerWaalsContact C-N 3.31Å; Q252-D254 PolarHBondContact O-N 3.46Å
255	T	90	Very high	96	Very high	65 Å²	65	27 Å²	27	40%	0.399	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-19	175.3	65.3	0	0	0	0	112	Q252 F257	Q252-T255 WeakPolarHBondContact CB-OG1 3.41Å; Q252-T255 PolarHBondContact O-N 2.89Å; Q252-T255 PolarHBondContact O-OG1 2.79Å; Q252-T255 PolarHBondContact OE1-OG1 3.33Å; T255-F257 WeakPolarHBondContact O-CD2 3.25Å; T255-F257 VanDerWaalsContact O-CE2 3.22Å; T255-F257 WeakPolarHBondContact O-CE2 3.5Å
256	G	93.1	Very high	96.1	Very high	11 Å²	11	30.1 Å²	30.1	11%	0.113	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	34.7	178.9	0	0	0	0	0	113.3	Q252 P253 S278	Q252-G256 PolarHBondContact O-N 2.97Å; P253-G256 PolarHBondContact O-N 3.03Å; G256-S278 VanDerWaalsContact C-C 3.49Å; G256-S278 CarbonylContact C-O 3.56Å; G256-S278 WeakPolarHBondContact CA-O 3.48Å; G256-S278 CarbonylContact O-C 3.52Å; G256-S278 WeakPolarHBondContact O-CA 3.34Å; G256-S278 PolarHBondContact O-N 2.79Å; G256-S278 VanDerWaalsContact O-O 3.08Å
257	F	95.9	Very high	96	Very high	67 Å²	67	34 Å²	34	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.6	-180	-61.7	-72.1	0	0	0	112.9	Q252 T255 T259 N275 I276 T277	Q252-F257 WeakPolarHBondContact CB-O 3.49Å; Q252-F257 PolarHBondContact N-O 2.88Å; Q252-F257 PolarHBondContact O-N 2.69Å; T255-F257 WeakPolarHBondContact O-CD2 3.25Å; T255-F257 VanDerWaalsContact O-CE2 3.22Å; T255-F257 WeakPolarHBondContact O-CE2 3.5Å; F257-T259 HydrophobicContact CB-CG2 3.69Å; F257-N275 HydrophobicContact CD1-CB 3.98Å; F257-N275 HydrophobicContact CG-CB 4.42Å; F257-I276 WeakPolarHBondContact CA-O 2.94Å; F257-T277 HydrophobicContact CE1-CG2 4.36Å
258	C	96.9	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.8	148.7	-71.8	0	0	0	0	107.2	F250 I276 C284	F250-C258 CarbonylContact O-C 3.53Å; F250-C258 VanDerWaalsContact O-CA 3.3Å; F250-C258 WeakPolarHBondContact O-CA 3.1Å; C258-I276 HydrophobicContact CB-CB 4.13Å; C258-I276 PolarHBondContact N-O 3.04Å; C258-I276 PolarHBondContact O-N 3.18Å; C258-C284 VanDerWaalsContact CA-SG 3.59Å; C258-C284 HydrophobicContact CB-CB 3.8Å; C258-C284 WeakPolarHBondContact CB-SG 3.19Å; C258-C284 WeakPolarHBondContact SG-CB 2.95Å; C258-C284 CovalentContact SG-SG 2.02Å; C258-C284 PolarHBondContact SG-SG 2.92Å
259	T	97.1	Very high	95.9	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133	-177.4	62.2	0	0	0	0	110	A249 F250 Q252 F257 N275	A249-T259 WeakPolarHBondContact CA-O 3.37Å; F250-T259 PolarHBondContact N-O 2.74Å; F250-T259 PolarHBondContact O-N 3.49Å; Q252-T259 HydrophobicContact CG-CG2 4.3Å; Q252-T259 PolarHBondContact NE2-OG1 2.83Å; F257-T259 HydrophobicContact CB-CG2 3.69Å; T259-N275 WeakPolarHBondContact CA-OD1 3.43Å; T259-N275 WeakPolarHBondContact CB-OD1 3.08Å; T259-N275 WeakPolarHBondContact CG2-OD1 3.17Å
260	L	97.7	Very high	95.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.9	177.8	-73.6	65.2	0	0	0	108.9	Y240 V248 Y273 H274 I276 M295 F316	Y240-L260 WeakPolarHBondContact OH-CD2 3.26Å; V248-L260 CarbonylContact O-C 3.54Å; V248-L260 VanDerWaalsContact O-CA 3.32Å; V248-L260 WeakPolarHBondContact O-CA 3.31Å; L260-Y273 PolarHBondContact O-N 3.42Å; L260-H274 WeakPolarHBondContact CB-O 3.38Å; L260-H274 PolarHBondContact N-O 2.81Å; L260-H274 PolarHBondContact O-N 2.82Å; L260-I276 HydrophobicContact CD1-CD1 4.3Å; L260-I276 HydrophobicContact CD1-CG1 4.5Å; L260-M295 HydrophobicContact CD1-CE 4.22Å; L260-M295 HydrophobicContact CD2-CE 4.21Å; L260-M295 HydrophobicContact CG-CE 4.32Å; L260-F316 HydrophobicContact CD2-CD2 4.49Å; L260-F316 HydrophobicContact CD2-CE2 3.38Å; L260-F316 HydrophobicContact CD2-CZ 3.67Å
261	F	98.3	Very high	95.8	Very high	20 Å²	20	45 Å²	45	9%	0.088	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.8	173.8	-73.9	-109.9	0	0	0	109	F230 F232 F247 V248 F250 F270 R271 M272	F230-F261 HydrophobicContact CD1-CE1 4.11Å; F230-F261 HydrophobicContact CD1-CZ 4.39Å; F230-F261 HydrophobicContact CE1-CD1 4.09Å; F230-F261 HydrophobicContact CE1-CE1 4.11Å; F232-F261 AromaticContact CE1-CE2 3.96Å; F232-F261 HydrophobicContact CE1-CE2 3.96Å; F232-F261 AromaticContact CE1-CZ 3.67Å; F232-F261 HydrophobicContact CE1-CZ 3.67Å; F232-F261 AromaticContact CZ-CE2 3.93Å; F232-F261 HydrophobicContact CZ-CE2 3.93Å; F232-F261 HydrophobicContact CZ-CZ 4.06Å; F247-F261 CarbonylContact C-O 2.97Å; F247-F261 WeakPolarHBondContact CA-O 3.47Å; F247-F261 WeakPolarHBondContact CD1-O 3.48Å; V248-F261 HydrophobicContact CB-CB 4.47Å; V248-F261 PolarHBondContact N-O 3.47Å; V248-F261 PolarHBondContact O-N 2.95Å; F250-F261 AromaticContact CD2-CD2 3.76Å; F250-F261 HydrophobicContact CD2-CD2 3.76Å; F250-F261 HydrophobicContact CD2-CE2 4.04Å; F250-F261 AromaticContact CE2-CD2 3.77Å; F250-F261 HydrophobicContact CE2-CD2 3.77Å; F250-F261 HydrophobicContact CE2-CE2 4.22Å; F250-F261 HydrophobicContact CE2-CG 4.29Å; F261-F270 HydrophobicContact CB-CB 4.13Å; F261-F270 HydrophobicContact CB-CD1 4.37Å; F261-F270 HydrophobicContact CD1-CB 4.14Å; F261-R271 CarbonylContact C-O 3.15Å; F261-R271 WeakPolarHBondContact CA-O 3.21Å; F261-R271 WeakPolarHBondContact CB-O 3.46Å; F261-M272 HydrophobicContact CD1-CB 4.32Å; F261-M272 HydrophobicContact CE1-CB 3.89Å; F261-M272 HydrophobicContact CE2-CG 4.45Å; F261-M272 HydrophobicContact CZ-CB 3.97Å; F261-M272 HydrophobicContact CZ-CG 4.26Å
262	V	98	Very high	95.8	Very high	26 Å²	26	50 Å²	50	16%	0.158	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.8	173.6	66	0	0	0	0	109	D245 F247 F270 R271 Y273	D245-V262 HydrophobicContact CB-CG2 4.24Å; F247-V262 HydrophobicContact CD1-CB 3.78Å; F247-V262 HydrophobicContact CD1-CG2 3.99Å; F247-V262 HydrophobicContact CE1-CB 3.56Å; F247-V262 HydrophobicContact CE1-CG2 3.55Å; F247-V262 HydrophobicContact CE2-CG2 4.19Å; F247-V262 HydrophobicContact CG-CG2 4.49Å; F247-V262 HydrophobicContact CZ-CB 4.21Å; F247-V262 HydrophobicContact CZ-CG2 3.65Å; V262-F270 WeakPolarHBondContact O-CA 3.47Å; V262-R271 PolarHBondContact N-O 3.38Å; V262-R271 PolarHBondContact O-N 3.33Å; V262-Y273 HydrophobicContact CB-CD2 4.41Å; V262-Y273 HydrophobicContact CB-CG 4.43Å; V262-Y273 HydrophobicContact CG1-CD2 4.08Å; V262-Y273 HydrophobicContact CG1-CG 4.4Å
263	W	98.2	Very high	95.8	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.019	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128	174.2	-179.6	-102	0	0	0	111.2	Y227 Q246 H265 M268 F270 V522 D523 K525 I527	Y227-W263 HydrophobicContact CE1-CH2 4.15Å; Y227-W263 HydrophobicContact CE1-CZ3 4.23Å; Q246-W263 HydrophobicContact CB-CB 4.15Å; Q246-W263 PolarHBondContact O-N 2.89Å; W263-H265 AromaticContact CD1-CD2 3.96Å; W263-H265 AromaticContact CD1-CE1 3.49Å; W263-H265 VanDerWaalsContact CD1-CE1 3.49Å; W263-H265 AromaticContact CD1-CG 3.78Å; W263-H265 AromaticContact CD1-ND1 3.47Å; W263-H265 AromaticContact CD1-NE2 3.78Å; W263-H265 AromaticContact NE1-CE1 4Å; W263-H265 AromaticContact NE1-ND1 3.61Å; W263-M268 HydrophobicContact CH2-CB 4.13Å; W263-M268 WeakPolarHBondContact CH2-O 3.43Å; W263-M268 VanDerWaalsContact CZ2-CA 3.5Å; W263-M268 HydrophobicContact CZ2-CB 3.85Å; W263-M268 HydrophobicContact CZ2-CG 4.48Å; W263-M268 HydrophobicContact CZ2-SD 3.84Å; W263-F270 HydrophobicContact CB-CD1 4.32Å; W263-F270 HydrophobicContact CB-CE1 4Å; W263-F270 HydrophobicContact CE3-CD1 4.18Å; W263-F270 AromaticContact CE3-CD2 3.95Å; W263-F270 HydrophobicContact CE3-CD2 3.95Å; W263-F270 AromaticContact CE3-CE1 3.97Å; W263-F270 HydrophobicContact CE3-CE1 3.97Å; W263-F270 AromaticContact CE3-CE2 3.75Å; W263-F270 HydrophobicContact CE3-CE2 3.75Å; W263-F270 HydrophobicContact CE3-CG 4.17Å; W263-F270 AromaticContact CE3-CZ 3.77Å; W263-F270 HydrophobicContact CE3-CZ 3.77Å; W263-F270 HydrophobicContact CZ3-CD2 4.13Å; W263-F270 AromaticContact CZ3-CE2 3.95Å; W263-F270 HydrophobicContact CZ3-CE2 3.95Å; W263-F270 HydrophobicContact CZ3-CZ 4.37Å; W263-V522 HydrophobicContact CB-CG2 4.39Å; W263-V522 HydrophobicContact CD2-CB 4.46Å; W263-V522 HydrophobicContact CD2-CG1 3.59Å; W263-V522 HydrophobicContact CD2-CG2 4.04Å; W263-V522 HydrophobicContact CE3-CG1 3.85Å; W263-V522 HydrophobicContact CG-CG1 4.08Å; W263-V522 HydrophobicContact CG-CG2 3.69Å; W263-V522 HydrophobicContact CH2-CG1 4.07Å; W263-V522 HydrophobicContact CZ2-CG1 3.84Å; W263-V522 HydrophobicContact CZ3-CG1 4.09Å; W263-D523 HydrophobicContact CZ2-CB 4.49Å; W263-D523 PolarHBondContact NE1-OD2 3.09Å; W263-K525 HydrophobicContact CH2-CD 3.9Å; W263-K525 HydrophobicContact CZ2-CD 4.07Å; W263-I527 HydrophobicContact CE3-CD1 4.34Å; W263-I527 HydrophobicContact CH2-CD1 3.61Å; W263-I527 HydrophobicContact CZ3-CD1 3.39Å
264	D	97.8	Very high	96.1	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.4	172.3	-171.4	-47.9	0	0	0	109.8	V266 E267 M268 V269 R271	D264-V266 PolarHBondContact O-N 2.66Å; D264-V266 WeakPolarHBondContact OD1-CA 3.14Å; D264-V266 WeakPolarHBondContact OD1-CB 3.28Å; D264-V266 PolarHBondContact OD1-N 2.81Å; D264-E267 HydrophobicContact CB-CB 4.48Å; D264-E267 PolarHBondContact OD1-N 3.41Å; D264-M268 WeakPolarHBondContact O-CA 3.47Å; D264-M268 PolarHBondContact O-N 2.92Å; D264-V269 WeakPolarHBondContact CB-O 3.43Å; D264-V269 PolarHBondContact N-O 3.34Å; D264-R271 HydrophobicContact CB-CG 4.19Å; D264-R271 VanDerWaalsContact OD2-CD 3.24Å; D264-R271 WeakPolarHBondContact OD2-CD 3.44Å; D264-R271 IonicContact OD2-CZ 3.28Å; D264-R271 IonicContact OD2-NE 3.44Å; D264-R271 PolarHBondContact OD2-NE 3Å; D264-R271 VanDerWaalsContact OD2-NE 3.1Å; D264-R271 IonicContact OD2-NH1 3.16Å; D264-R271 PolarHBondContact OD2-NH1 2.85Å; D264-R271 IonicContact OD2-NH2 2.77Å
265	H	96.3	Very high	96.5	Very high	81 Å²	81	51 Å²	51	38%	0.375	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.2	-179.8	-68.7	-78.6	0	0	0	114.7	D245 W263 M268 D523	D245-H265 IonicContact OD1-CD2 2.97Å; D245-H265 IonicContact OD1-NE2 2.69Å; D245-H265 PolarHBondContact OD1-NE2 3.35Å; W263-H265 AromaticContact CD1-CD2 3.96Å; W263-H265 AromaticContact CD1-CE1 3.49Å; W263-H265 VanDerWaalsContact CD1-CE1 3.49Å; W263-H265 AromaticContact CD1-CG 3.78Å; W263-H265 AromaticContact CD1-ND1 3.47Å; W263-H265 AromaticContact CD1-NE2 3.78Å; W263-H265 AromaticContact NE1-CE1 4Å; W263-H265 AromaticContact NE1-ND1 3.61Å; H265-M268 VanDerWaalsContact O-CE 3.26Å; H265-M268 WeakPolarHBondContact O-CE 3.48Å; H265-D523 IonicContact CE1-OD1 3.37Å; H265-D523 IonicContact CE1-OD2 3.81Å; H265-D523 IonicContact CG-OD2 2.67Å; H265-D523 VanDerWaalsContact ND1-CG 3.34Å; H265-D523 IonicContact ND1-OD1 2.66Å; H265-D523 PolarHBondContact ND1-OD1 3.42Å; H265-D523 IonicContact ND1-OD2 2.8Å; H265-D523 PolarHBondContact ND1-OD2 3.16Å
266	V	96.2	Very high	96.8	Very high	123 Å²	123	48.1 Å²	48.1	75%	0.745	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-53	178.9	-178.8	0	0	0	0	110.3	D264 M268	D264-V266 PolarHBondContact O-N 2.66Å; D264-V266 WeakPolarHBondContact OD1-CA 3.14Å; D264-V266 WeakPolarHBondContact OD1-CB 3.28Å; D264-V266 PolarHBondContact OD1-N 2.81Å; V266-M268 VanDerWaalsContact C-N 3.34Å
267	E	96.6	Very high	97	Very high	117 Å²	117	52.3 Å²	52.3	55%	0.547	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-12.6	-180	-64.2	-62	155.7	0	0	113	D264 V269 R271	D264-E267 HydrophobicContact CB-CB 4.48Å; D264-E267 PolarHBondContact OD1-N 3.41Å; E267-V269 VanDerWaalsContact C-N 3.35Å; E267-V269 HydrophobicContact CB-CG2 3.78Å; E267-V269 PolarHBondContact O-N 3.36Å; E267-R271 VanDerWaalsContact CG-NH2 3.26Å
268	M	96.8	Very high	96.8	Very high	63 Å²	63	49.1 Å²	49.1	31%	0.31	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	42.5	-178.3	-57.8	-82.9	172.6	0	0	112.1	Y227 W263 D264 H265 V266 D523	Y227-M268 WeakPolarHBondContact CE1-O 3.33Å; Y227-M268 PolarHBondContact OH-O 3.48Å; W263-M268 HydrophobicContact CH2-CB 4.13Å; W263-M268 WeakPolarHBondContact CH2-O 3.43Å; W263-M268 VanDerWaalsContact CZ2-CA 3.5Å; W263-M268 HydrophobicContact CZ2-CB 3.85Å; W263-M268 HydrophobicContact CZ2-CG 4.48Å; W263-M268 HydrophobicContact CZ2-SD 3.84Å; D264-M268 WeakPolarHBondContact O-CA 3.47Å; D264-M268 PolarHBondContact O-N 2.92Å; H265-M268 VanDerWaalsContact O-CE 3.26Å; H265-M268 WeakPolarHBondContact O-CE 3.48Å; V266-M268 VanDerWaalsContact C-N 3.34Å; M268-D523 HydrophobicContact CE-CB 4.21Å; M268-D523 HydrophobicContact SD-CB 3.8Å
269	V	97.1	Very high	96.4	Very high	45 Å²	45	59.7 Å²	59.7	27%	0.273	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.6	-179.7	-64.5	0	0	0	0	111.1	D264 E267 R271	D264-V269 WeakPolarHBondContact CB-O 3.43Å; D264-V269 PolarHBondContact N-O 3.34Å; E267-V269 VanDerWaalsContact C-N 3.35Å; E267-V269 HydrophobicContact CB-CG2 3.78Å; E267-V269 PolarHBondContact O-N 3.36Å; V269-R271 HydrophobicContact CG2-CG 4.38Å
270	F	98.1	Very high	96.2	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.1	172.8	-75.7	-74	0	0	0	111.3	E228 F230 V248 F261 V262 W263 V520 I527 L529	E228-F270 PolarHBondContact OE2-N 3.38Å; F230-F270 HydrophobicContact CE1-CB 4.03Å; F230-F270 HydrophobicContact CZ-CB 4.06Å; F230-F270 HydrophobicContact CZ-CD2 4.28Å; F230-F270 HydrophobicContact CZ-CG 4.5Å; V248-F270 HydrophobicContact CG2-CD1 3.92Å; V248-F270 HydrophobicContact CG2-CE1 3.44Å; V248-F270 VanDerWaalsContact CG2-CE1 3.44Å; V248-F270 HydrophobicContact CG2-CE2 4.41Å; V248-F270 HydrophobicContact CG2-CZ 3.71Å; F261-F270 HydrophobicContact CB-CB 4.13Å; F261-F270 HydrophobicContact CB-CD1 4.37Å; F261-F270 HydrophobicContact CD1-CB 4.14Å; V262-F270 WeakPolarHBondContact O-CA 3.47Å; W263-F270 HydrophobicContact CB-CD1 4.32Å; W263-F270 HydrophobicContact CB-CE1 4Å; W263-F270 HydrophobicContact CE3-CD1 4.18Å; W263-F270 AromaticContact CE3-CD2 3.95Å; W263-F270 HydrophobicContact CE3-CD2 3.95Å; W263-F270 AromaticContact CE3-CE1 3.97Å; W263-F270 HydrophobicContact CE3-CE1 3.97Å; W263-F270 AromaticContact CE3-CE2 3.75Å; W263-F270 HydrophobicContact CE3-CE2 3.75Å; W263-F270 HydrophobicContact CE3-CG 4.17Å; W263-F270 AromaticContact CE3-CZ 3.77Å; W263-F270 HydrophobicContact CE3-CZ 3.77Å; W263-F270 HydrophobicContact CZ3-CD2 4.13Å; W263-F270 AromaticContact CZ3-CE2 3.95Å; W263-F270 HydrophobicContact CZ3-CE2 3.95Å; W263-F270 HydrophobicContact CZ3-CZ 4.37Å; F270-V520 HydrophobicContact CZ-CB 4.39Å; F270-V520 HydrophobicContact CZ-CG1 4.07Å; F270-V520 HydrophobicContact CZ-CG2 4.34Å; F270-I527 HydrophobicContact CE2-CD1 4.15Å; F270-I527 HydrophobicContact CE2-CG2 4.34Å; F270-L529 HydrophobicContact CE2-CD2 4.34Å
271	R	97.3	Very high	96.1	Very high	122 Å²	122	59.8 Å²	59.8	46%	0.46	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.1	176.3	-70.1	-174.3	169	180	-8.4	111.2	F261 V262 D264 E267 V269 Y273	F261-R271 CarbonylContact C-O 3.15Å; F261-R271 WeakPolarHBondContact CA-O 3.21Å; F261-R271 WeakPolarHBondContact CB-O 3.46Å; V262-R271 PolarHBondContact N-O 3.38Å; V262-R271 PolarHBondContact O-N 3.33Å; D264-R271 HydrophobicContact CB-CG 4.19Å; D264-R271 VanDerWaalsContact OD2-CD 3.24Å; D264-R271 WeakPolarHBondContact OD2-CD 3.44Å; D264-R271 IonicContact OD2-CZ 3.28Å; D264-R271 IonicContact OD2-NE 3.44Å; D264-R271 PolarHBondContact OD2-NE 3Å; D264-R271 VanDerWaalsContact OD2-NE 3.1Å; D264-R271 IonicContact OD2-NH1 3.16Å; D264-R271 PolarHBondContact OD2-NH1 2.85Å; D264-R271 IonicContact OD2-NH2 2.77Å; E267-R271 VanDerWaalsContact CG-NH2 3.26Å; V269-R271 HydrophobicContact CG2-CG 4.38Å; R271-Y273 PolarHBondContact O-N 3.41Å
272	M	96.7	Very high	96	Very high	107 Å²	107	59.9 Å²	59.9	53%	0.527	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124.9	176.5	-170.3	-76.1	-61.7	0	0	109.3	F261	F261-M272 HydrophobicContact CD1-CB 4.32Å; F261-M272 HydrophobicContact CE1-CB 3.89Å; F261-M272 HydrophobicContact CE2-CG 4.45Å; F261-M272 HydrophobicContact CZ-CB 3.97Å; F261-M272 HydrophobicContact CZ-CG 4.26Å
273	Y	96.3	Very high	96	Very high	75 Å²	75	59.2 Å²	59.2	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-54.4	-177.1	-180	-110.8	0	0	0	111.6	F247 L260 V262 R271 W309	F247-Y273 HydrophobicContact CD1-CD1 4.34Å; F247-Y273 AromaticContact CE1-CD1 3.75Å; F247-Y273 HydrophobicContact CE1-CD1 3.75Å; F247-Y273 HydrophobicContact CE1-CD2 4.31Å; F247-Y273 AromaticContact CE1-CE1 3.94Å; F247-Y273 HydrophobicContact CE1-CE1 3.94Å; F247-Y273 HydrophobicContact CE1-CE2 4.49Å; F247-Y273 AromaticContact CE1-CG 3.94Å; F247-Y273 HydrophobicContact CE1-CG 3.94Å; L260-Y273 PolarHBondContact O-N 3.42Å; V262-Y273 HydrophobicContact CB-CD2 4.41Å; V262-Y273 HydrophobicContact CB-CG 4.43Å; V262-Y273 HydrophobicContact CG1-CD2 4.08Å; V262-Y273 HydrophobicContact CG1-CG 4.4Å; R271-Y273 PolarHBondContact O-N 3.41Å; Y273-W309 AromaticContact CE1-CH2 3.51Å; Y273-W309 HydrophobicContact CE1-CH2 3.51Å; Y273-W309 AromaticContact CE1-CZ2 3.88Å; Y273-W309 HydrophobicContact CE1-CZ2 3.88Å; Y273-W309 HydrophobicContact CE1-CZ3 4.11Å; Y273-W309 AromaticContact CZ-CH2 3.81Å; Y273-W309 AromaticContact CZ-CZ2 3.87Å; Y273-W309 WeakPolarHBondContact OH-CH2 3.49Å; Y273-W309 WeakPolarHBondContact OH-CZ2 3.46Å
274	H	96.4	Very high	96	Very high	44 Å²	44	59 Å²	59	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	153	-175.7	-167	-77.2	0	0	0	111.9	L260 W309 F316	L260-H274 WeakPolarHBondContact CB-O 3.38Å; L260-H274 PolarHBondContact N-O 2.81Å; L260-H274 PolarHBondContact O-N 2.82Å; H274-W309 HydrophobicContact CB-CZ3 4.45Å; H274-W309 AromaticContact CD2-CZ3 3.83Å; H274-F316 AromaticContact CE1-CD2 3.93Å; H274-F316 AromaticContact ND1-CD2 3.66Å
275	N	96.6	Very high	96	Very high	59 Å²	59	58.5 Å²	58.5	32%	0.316	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.8	174.5	-69.6	-20	0	0	0	111.8	F257 T259	F257-N275 HydrophobicContact CD1-CB 3.98Å; F257-N275 HydrophobicContact CG-CB 4.42Å; T259-N275 WeakPolarHBondContact CA-OD1 3.43Å; T259-N275 WeakPolarHBondContact CB-OD1 3.08Å; T259-N275 WeakPolarHBondContact CG2-OD1 3.17Å
276	I	96.8	Very high	96.1	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.9	169.2	-53.5	168.6	0	0	0	107.6	F257 C258 L260 S278 M295 V297 Y307 F316	F257-I276 WeakPolarHBondContact CA-O 2.94Å; C258-I276 HydrophobicContact CB-CB 4.13Å; C258-I276 PolarHBondContact N-O 3.04Å; C258-I276 PolarHBondContact O-N 3.18Å; L260-I276 HydrophobicContact CD1-CD1 4.3Å; L260-I276 HydrophobicContact CD1-CG1 4.5Å; I276-S278 PolarHBondContact O-N 3.26Å; I276-M295 HydrophobicContact CD1-CB 3.94Å; I276-M295 HydrophobicContact CD1-CG 3.69Å; I276-V297 HydrophobicContact CG2-CG2 4.44Å; I276-Y307 HydrophobicContact CG2-CD1 3.98Å; I276-Y307 HydrophobicContact CG2-CD2 3.98Å; I276-Y307 HydrophobicContact CG2-CE1 3.7Å; I276-Y307 HydrophobicContact CG2-CE2 3.7Å; I276-Y307 HydrophobicContact CG2-CG 4.12Å; I276-F316 HydrophobicContact CD1-CB 4.09Å; I276-F316 HydrophobicContact CD1-CD1 3.94Å; I276-F316 HydrophobicContact CD1-CD2 3.72Å; I276-F316 HydrophobicContact CD1-CE1 4.3Å; I276-F316 HydrophobicContact CD1-CE2 4.12Å; I276-F316 HydrophobicContact CD1-CG 3.61Å; I276-F316 HydrophobicContact CD1-CZ 4.38Å; I276-F316 HydrophobicContact CG1-CB 3.94Å; I276-F316 HydrophobicContact CG1-CD2 3.73Å; I276-F316 HydrophobicContact CG1-CE2 4.45Å; I276-F316 HydrophobicContact CG1-CG 3.83Å
277	T	95.6	Very high	96.1	Very high	98 Å²	98	49.7 Å²	49.7	60%	0.601	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	119.9	179.6	-53.5	0	0	0	0	110.7	F257	F257-T277 HydrophobicContact CE1-CG2 4.36Å
278	S	92	Very high	96	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	22%	0.219	C	C	.	.			trans	-154.6	91	-172	-179.3	0	0	0	0	111	G256 I276 S280 A281 V297 Q299	G256-S278 VanDerWaalsContact C-C 3.49Å; G256-S278 CarbonylContact C-O 3.56Å; G256-S278 WeakPolarHBondContact CA-O 3.48Å; G256-S278 CarbonylContact O-C 3.52Å; G256-S278 WeakPolarHBondContact O-CA 3.34Å; G256-S278 PolarHBondContact O-N 2.79Å; G256-S278 VanDerWaalsContact O-O 3.08Å; I276-S278 PolarHBondContact O-N 3.26Å; S278-S280 PolarHBondContact O-N 3.37Å; S278-A281 PolarHBondContact O-N 3.32Å; S278-A281 VanDerWaalsContact OG-CB 3.24Å; S278-A281 WeakPolarHBondContact OG-CB 3.25Å; S278-V297 VanDerWaalsContact OG-CG1 3.25Å; S278-V297 WeakPolarHBondContact OG-CG1 3.46Å; S278-Q299 VanDerWaalsContact OG-CD 3.25Å; S278-Q299 WeakPolarHBondContact OG-CG 3.45Å; S278-Q299 PolarHBondContact OG-NE2 2.86Å
279	R	88.1	Confident	95.9	Very high	222 Å²	222	43.5 Å²	43.5	84%	0.838	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.2	-170	-67	-174.4	-179.2	-177.5	0.6	116.3
280	S	94.1	Very high	95.6	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.063	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.2	41.4	-177.7	60.1	0	0	0	0	111.8	S278 V282 Q299 L300 F301	S278-S280 PolarHBondContact O-N 3.37Å; S280-V282 PolarHBondContact O-N 3.38Å; S280-Q299 WeakPolarHBondContact O-CA 3.45Å; S280-L300 PolarHBondContact O-N 3.16Å; S280-L300 PolarHBondContact OG-N 2.83Å; S280-F301 PolarHBondContact OG-N 3.39Å; S280-F301 PolarHBondContact OG-O 3.06Å
281	A	95.2	Very high	95.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	122.5	176.3	0	0	0	0	0	110.4	A251 S278 A298	A251-A281 HydrophobicContact CB-CB 4.03Å; S278-A281 PolarHBondContact O-N 3.32Å; S278-A281 VanDerWaalsContact OG-CB 3.24Å; S278-A281 WeakPolarHBondContact OG-CB 3.25Å; A281-A298 WeakPolarHBondContact CA-O 3.48Å
282	V	96.7	Very high	95.1	Very high	22 Å²	22	49.5 Å²	49.5	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-23.3	169.8	-70	0	0	0	0	112.1	V235 S280 A298 L300 P330	V235-V282 WeakPolarHBondContact CG2-O 3.44Å; S280-V282 PolarHBondContact O-N 3.38Å; V282-A298 HydrophobicContact CG2-CB 3.83Å; V282-A298 VanDerWaalsContact CG2-O 3.31Å; V282-A298 WeakPolarHBondContact CG2-O 3.48Å; V282-A298 PolarHBondContact N-O 3.2Å; V282-L300 HydrophobicContact CG1-CD1 3.76Å; V282-L300 HydrophobicContact CG1-CD2 4.21Å; V282-L300 HydrophobicContact CG1-CG 3.6Å; V282-P330 HydrophobicContact CG2-CB 4.39Å; V282-P330 HydrophobicContact CG2-CG 4.06Å; V282-P330 WeakPolarHBondContact CG2-O 3.17Å
283	Y	98	Very high	95.1	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	137.4	178.3	-142.4	-81.6	0	0	0	110.6	E238 K285 A298 F332 V333	E238-Y283 HydrophobicContact CG-CE1 3.82Å; E238-Y283 PolarHBondContact OE1-OH 3.47Å; Y283-K285 HydrophobicContact CD1-CB 3.99Å; Y283-K285 HydrophobicContact CE1-CB 4.12Å; Y283-K285 HydrophobicContact CE1-CD 3.83Å; Y283-A298 PolarHBondContact O-N 3.01Å; Y283-F332 AromaticContact CD2-CD2 3.99Å; Y283-F332 HydrophobicContact CD2-CD2 3.99Å; Y283-F332 HydrophobicContact CD2-CE2 4.43Å; Y283-F332 HydrophobicContact CD2-CG 4.48Å; Y283-F332 AromaticContact CE2-CD2 3.3Å; Y283-F332 HydrophobicContact CE2-CD2 3.3Å; Y283-F332 AromaticContact CE2-CE2 3.34Å; Y283-F332 HydrophobicContact CE2-CE2 3.34Å; Y283-F332 HydrophobicContact CE2-CG 4.06Å; Y283-F332 HydrophobicContact CE2-CZ 4.11Å; Y283-F332 AromaticContact CZ-CD2 3.96Å; Y283-F332 AromaticContact CZ-CE2 3.6Å; Y283-F332 AromaticContact CZ-CZ 3.92Å; Y283-F332 WeakPolarHBondContact OH-CE2 3.35Å; Y283-F332 VanDerWaalsContact OH-CZ 3.29Å; Y283-F332 WeakPolarHBondContact OH-CZ 3.04Å; Y283-V333 HydrophobicContact CD1-CB 3.95Å; Y283-V333 HydrophobicContact CD1-CG2 4.32Å; Y283-V333 HydrophobicContact CE1-CB 4.49Å; Y283-V333 HydrophobicContact CG-CB 4.34Å; Y283-V333 HydrophobicContact CG-CG2 4.33Å
284	C	97.9	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	97.9	173.5	-44.6	0	0	0	0	107.2	A249 A251 C258 P286 M295	A249-C284 HydrophobicContact CB-CB 4.45Å; A251-C284 WeakPolarHBondContact CA-SG 3.22Å; A251-C284 WeakPolarHBondContact CB-SG 3.49Å; C258-C284 VanDerWaalsContact CA-SG 3.59Å; C258-C284 HydrophobicContact CB-CB 3.8Å; C258-C284 WeakPolarHBondContact CB-SG 3.19Å; C258-C284 WeakPolarHBondContact SG-CB 2.95Å; C258-C284 CovalentContact SG-SG 2.02Å; C258-C284 PolarHBondContact SG-SG 2.92Å; C284-P286 WeakPolarHBondContact O-CD 3.45Å; C284-M295 HydrophobicContact CB-SD 3.9Å
285	K	98.1	Very high	95.2	Very high	16 Å²	16	39.7 Å²	39.7	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.2	-175.9	-171.5	74.9	167.9	-173.7	0	109.8	E238 Y283 M295 V296 V333 E334 T335	E238-K285 HydrophobicContact CG-CD 4.26Å; E238-K285 VanDerWaalsContact OE1-CD 3.25Å; E238-K285 WeakPolarHBondContact OE1-CD 3.36Å; E238-K285 IonicContact OE1-NZ 3.19Å; E238-K285 PolarHBondContact OE1-NZ 2.93Å; Y283-K285 HydrophobicContact CD1-CB 3.99Å; Y283-K285 HydrophobicContact CE1-CB 4.12Å; Y283-K285 HydrophobicContact CE1-CD 3.83Å; K285-M295 VanDerWaalsContact C-SD 3.53Å; K285-V296 HydrophobicContact CB-CB 4.32Å; K285-V296 PolarHBondContact N-O 2.73Å; K285-V296 PolarHBondContact O-N 2.79Å; K285-V333 HydrophobicContact CB-CB 3.99Å; K285-V333 HydrophobicContact CB-CG1 3.78Å; K285-V333 HydrophobicContact CG-CB 4.43Å; K285-V333 HydrophobicContact CG-CG1 4.01Å; K285-E334 IonicContact NZ-OE1 3.59Å; K285-E334 PolarHBondContact NZ-OE1 3.05Å; K285-T335 HydrophobicContact CD-CG2 4.31Å; K285-T335 WeakPolarHBondContact CE-OG1 3.16Å; K285-T335 HydrophobicContact CG-CG2 3.57Å
286	P	97.8	Very high	95.3	Very high	15 Å²	15	36.9 Å²	36.9	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	143.1	172.9	31.1	-34.7	0	0	0	110.2	E238 Y240 C284 L293 M295	E238-P286 HydrophobicContact CB-CG 4.19Å; Y240-P286 HydrophobicContact CD1-CB 3.62Å; Y240-P286 HydrophobicContact CD1-CG 3.41Å; Y240-P286 VanDerWaalsContact CD1-CG 3.41Å; Y240-P286 HydrophobicContact CD2-CB 3.89Å; Y240-P286 HydrophobicContact CD2-CG 4.41Å; Y240-P286 HydrophobicContact CE1-CB 3.92Å; Y240-P286 HydrophobicContact CE1-CG 4.07Å; Y240-P286 HydrophobicContact CE2-CB 4.17Å; Y240-P286 HydrophobicContact CG-CB 3.58Å; Y240-P286 HydrophobicContact CG-CG 3.6Å; C284-P286 WeakPolarHBondContact O-CD 3.45Å; P286-L293 HydrophobicContact CB-CD1 4.17Å; P286-M295 HydrophobicContact CB-CE 4.02Å; P286-M295 HydrophobicContact CB-SD 4.49Å
287	V	96	Very high	95.3	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	119.3	173.7	-165.7	0	0	0	0	108.6	I289 Y294 V296 T335 W342 F365	V287-I289 HydrophobicContact CG1-CD1 4.01Å; V287-I289 HydrophobicContact CG1-CG1 3.83Å; V287-Y294 PolarHBondContact N-O 2.88Å; V287-Y294 PolarHBondContact O-N 2.78Å; V287-V296 HydrophobicContact CG2-CG2 4.25Å; V287-T335 HydrophobicContact CG2-CG2 3.57Å; V287-W342 HydrophobicContact CG1-CD2 4.38Å; V287-W342 HydrophobicContact CG1-CE3 4.05Å; V287-W342 HydrophobicContact CG1-CZ3 4.19Å; V287-F365 HydrophobicContact CG1-CZ 4.34Å
288	V	95.3	Very high	95.4	Very high	45 Å²	45	32 Å²	32	27%	0.273	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.2	176.9	-176.9	0	0	0	0	108.9	F242 T292 L293 W342	F242-V288 HydrophobicContact CD2-CG1 4.19Å; F242-V288 HydrophobicContact CD2-CG2 4.1Å; V288-T292 WeakPolarHBondContact CA-O 3.2Å; V288-L293 HydrophobicContact CG2-CD1 3.91Å; V288-W342 WeakPolarHBondContact O-CZ2 3.38Å
289	I	94.1	Very high	95.6	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.4	179.8	-53.4	-178.1	0	0	0	107.9	V287 N291 T292 Y294 W342 W360 F365	V287-I289 HydrophobicContact CG1-CD1 4.01Å; V287-I289 HydrophobicContact CG1-CG1 3.83Å; I289-N291 VanDerWaalsContact C-N 3.3Å; I289-N291 PolarHBondContact O-N 2.97Å; I289-T292 PolarHBondContact N-O 2.86Å; I289-T292 WeakPolarHBondContact O-CB 3.49Å; I289-T292 PolarHBondContact O-N 3.09Å; I289-Y294 HydrophobicContact CB-CD2 4.33Å; I289-Y294 HydrophobicContact CB-CE2 4.08Å; I289-Y294 HydrophobicContact CD1-CD2 4.46Å; I289-Y294 HydrophobicContact CG1-CD2 4.32Å; I289-W342 HydrophobicContact CD1-CB 3.89Å; I289-W342 HydrophobicContact CD1-CD2 4.37Å; I289-W342 HydrophobicContact CD1-CG 3.78Å; I289-W342 HydrophobicContact CG1-CD2 4.19Å; I289-W342 HydrophobicContact CG1-CG 3.95Å; I289-W360 HydrophobicContact CD1-CB 4.46Å; I289-W360 HydrophobicContact CD1-CD2 3.66Å; I289-W360 HydrophobicContact CD1-CE3 3.77Å; I289-W360 HydrophobicContact CD1-CG 3.97Å; I289-W360 HydrophobicContact CD1-CZ3 4.3Å; I289-F365 HydrophobicContact CD1-CE1 4.48Å; I289-F365 HydrophobicContact CD1-CE2 4.13Å; I289-F365 HydrophobicContact CD1-CZ 3.63Å
290	N	91.1	Very high	95.9	Very high	145 Å²	145	25.4 Å²	25.4	78%	0.775	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	49.6	179.1	-58.6	-22.3	0	0	0	112.5	T292	N290-T292 PolarHBondContact O-N 2.89Å; N290-T292 VanDerWaalsContact O-N 3.11Å
291	N	91.1	Very high	95.8	Very high	113 Å²	113	32.3 Å²	32.3	60%	0.604	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	19.6	-176.6	-148.8	64.1	0	0	0	115.4	N243 I289	N243-N291 PolarHBondContact OD1-ND2 2.82Å; I289-N291 VanDerWaalsContact C-N 3.3Å; I289-N291 PolarHBondContact O-N 2.97Å
292	T	94.1	Very high	95.4	Very high	41 Å²	41	35.8 Å²	35.8	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128	172.9	-57.1	0	0	0	0	109.2	V288 I289 N290 Y294 K308	V288-T292 WeakPolarHBondContact CA-O 3.2Å; I289-T292 PolarHBondContact N-O 2.86Å; I289-T292 WeakPolarHBondContact O-CB 3.49Å; I289-T292 PolarHBondContact O-N 3.09Å; N290-T292 PolarHBondContact O-N 2.89Å; N290-T292 VanDerWaalsContact O-N 3.11Å; T292-Y294 HydrophobicContact CG2-CD2 4.33Å; T292-Y294 HydrophobicContact CG2-CE1 4.49Å; T292-Y294 HydrophobicContact CG2-CE2 3.58Å; T292-Y294 WeakPolarHBondContact O-CD2 3.33Å; T292-K308 HydrophobicContact CG2-CD 4.42Å; T292-K308 HydrophobicContact CG2-CG 4Å
293	L	96.4	Very high	95.2	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.7	177.5	177	62.4	0	0	0	111	Y240 F242 P286 V288 W309 F316	Y240-L293 HydrophobicContact CD2-CD1 4.14Å; Y240-L293 HydrophobicContact CE2-CD1 3.73Å; Y240-L293 HydrophobicContact CE2-CD2 3.84Å; Y240-L293 HydrophobicContact CE2-CG 4.47Å; F242-L293 HydrophobicContact CD1-CB 4.39Å; F242-L293 HydrophobicContact CD1-CD2 4.06Å; F242-L293 HydrophobicContact CD2-CB 3.88Å; F242-L293 HydrophobicContact CE1-CB 4.18Å; F242-L293 HydrophobicContact CE1-CD2 4.32Å; F242-L293 HydrophobicContact CE2-CB 3.66Å; F242-L293 HydrophobicContact CG-CB 4.25Å; F242-L293 HydrophobicContact CG-CD2 4.28Å; F242-L293 HydrophobicContact CZ-CB 3.82Å; P286-L293 HydrophobicContact CB-CD1 4.17Å; V288-L293 HydrophobicContact CG2-CD1 3.91Å; L293-W309 HydrophobicContact CB-CB 3.8Å; L293-W309 HydrophobicContact CB-CG 4.44Å; L293-W309 HydrophobicContact CD2-CB 4.4Å; L293-W309 HydrophobicContact CG-CB 4.3Å; L293-W309 WeakPolarHBondContact O-CB 3.21Å; L293-W309 PolarHBondContact O-N 2.81Å; L293-F316 HydrophobicContact CD2-CE1 4.25Å; L293-F316 HydrophobicContact CD2-CZ 3.65Å; L293-F316 HydrophobicContact CG-CE1 4.19Å; L293-F316 HydrophobicContact CG-CZ 4.08Å
294	Y	97.2	Very high	95.1	Very high	16 Å²	16	35.1 Å²	35.1	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.2	169.6	-60.5	-92.6	0	0	0	109.5	V287 I289 T292 Y307 K308 I319 W360	V287-Y294 PolarHBondContact N-O 2.88Å; V287-Y294 PolarHBondContact O-N 2.78Å; I289-Y294 HydrophobicContact CB-CD2 4.33Å; I289-Y294 HydrophobicContact CB-CE2 4.08Å; I289-Y294 HydrophobicContact CD1-CD2 4.46Å; I289-Y294 HydrophobicContact CG1-CD2 4.32Å; T292-Y294 HydrophobicContact CG2-CD2 4.33Å; T292-Y294 HydrophobicContact CG2-CE1 4.49Å; T292-Y294 HydrophobicContact CG2-CE2 3.58Å; T292-Y294 WeakPolarHBondContact O-CD2 3.33Å; Y294-Y307 CarbonylContact C-O 3.56Å; Y294-Y307 VanDerWaalsContact CA-O 3.24Å; Y294-Y307 WeakPolarHBondContact CA-O 3.42Å; Y294-K308 HydrophobicContact CD1-CB 4.01Å; Y294-K308 HydrophobicContact CD1-CG 4.12Å; Y294-K308 HydrophobicContact CE1-CB 3.95Å; Y294-K308 HydrophobicContact CE1-CD 4.09Å; Y294-K308 HydrophobicContact CE1-CG 3.69Å; Y294-I319 HydrophobicContact CD1-CD1 3.89Å; Y294-I319 HydrophobicContact CE1-CD1 3.79Å; Y294-W360 HydrophobicContact CD1-CH2 4.49Å; Y294-W360 HydrophobicContact CD1-CZ3 4.37Å; Y294-W360 AromaticContact CE1-CH2 3.67Å; Y294-W360 HydrophobicContact CE1-CH2 3.67Å; Y294-W360 AromaticContact CE1-CZ3 3.96Å; Y294-W360 HydrophobicContact CE1-CZ3 3.96Å; Y294-W360 AromaticContact CE2-CH2 3.93Å; Y294-W360 HydrophobicContact CE2-CH2 3.93Å; Y294-W360 HydrophobicContact CE2-CZ2 4.47Å; Y294-W360 HydrophobicContact CE2-CZ3 4.39Å; Y294-W360 AromaticContact CZ-CH2 3.35Å; Y294-W360 AromaticContact CZ-CZ3 3.99Å; Y294-W360 VanDerWaalsContact OH-CH2 3.28Å; Y294-W360 WeakPolarHBondContact OH-CH2 3.4Å
295	M	97.8	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.6	175.4	-173.4	67.5	61.6	0	0	109.4	A249 L260 I276 C284 K285 P286 V297 I306 Y307 F316	A249-M295 HydrophobicContact CB-CE 4.09Å; L260-M295 HydrophobicContact CD1-CE 4.22Å; L260-M295 HydrophobicContact CD2-CE 4.21Å; L260-M295 HydrophobicContact CG-CE 4.32Å; I276-M295 HydrophobicContact CD1-CB 3.94Å; I276-M295 HydrophobicContact CD1-CG 3.69Å; C284-M295 HydrophobicContact CB-SD 3.9Å; K285-M295 VanDerWaalsContact C-SD 3.53Å; P286-M295 HydrophobicContact CB-CE 4.02Å; P286-M295 HydrophobicContact CB-SD 4.49Å; M295-V297 HydrophobicContact CG-CG2 3.68Å; M295-I306 WeakPolarHBondContact O-CA 3.3Å; M295-Y307 PolarHBondContact N-O 2.76Å; M295-Y307 PolarHBondContact O-N 3.39Å; M295-F316 HydrophobicContact CB-CD1 4.26Å; M295-F316 HydrophobicContact CB-CE1 3.88Å
296	V	98	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111.5	170.9	-177.7	0	0	0	0	107.9	K285 V287 I322 V333 F344	K285-V296 HydrophobicContact CB-CB 4.32Å; K285-V296 PolarHBondContact N-O 2.73Å; K285-V296 PolarHBondContact O-N 2.79Å; V287-V296 HydrophobicContact CG2-CG2 4.25Å; V296-I322 HydrophobicContact CG1-CD1 3.94Å; V296-V333 HydrophobicContact CB-CG1 4.37Å; V296-V333 HydrophobicContact CG1-CG1 4Å; V296-V333 HydrophobicContact CG1-CG2 4.42Å; V296-F344 HydrophobicContact CG1-CD2 4.44Å; V296-F344 HydrophobicContact CG1-CE2 4.14Å; V296-F344 HydrophobicContact CG1-CZ 4.24Å; V296-F344 HydrophobicContact CG2-CD1 4Å; V296-F344 HydrophobicContact CG2-CE1 3.93Å; V296-F344 HydrophobicContact CG2-CG 4.43Å; V296-F344 HydrophobicContact CG2-CZ 4.36Å
297	V	97.9	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	104	-178.3	-179.6	0	0	0	0	109.1	I276 S278 M295 Q299 S304 H305 Y307	I276-V297 HydrophobicContact CG2-CG2 4.44Å; S278-V297 VanDerWaalsContact OG-CG1 3.25Å; S278-V297 WeakPolarHBondContact OG-CG1 3.46Å; M295-V297 HydrophobicContact CG-CG2 3.68Å; V297-Q299 HydrophobicContact CG1-CG 3.81Å; V297-S304 WeakPolarHBondContact O-CA 3.31Å; V297-S304 WeakPolarHBondContact O-CB 3.35Å; V297-H305 PolarHBondContact N-O 2.82Å; V297-H305 PolarHBondContact O-N 2.91Å; V297-Y307 HydrophobicContact CB-CD2 4.26Å; V297-Y307 HydrophobicContact CB-CE2 4Å; V297-Y307 HydrophobicContact CG2-CD2 3.66Å; V297-Y307 HydrophobicContact CG2-CE2 3.74Å
298	A	97.3	Very high	95.1	Very high	1 Å²	1	39 Å²	39	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.5	175.2	0	0	0	0	0	110.6	A281 V282 Y283 S304 P330 V333	A281-A298 WeakPolarHBondContact CA-O 3.48Å; V282-A298 HydrophobicContact CG2-CB 3.83Å; V282-A298 VanDerWaalsContact CG2-O 3.31Å; V282-A298 WeakPolarHBondContact CG2-O 3.48Å; V282-A298 PolarHBondContact N-O 3.2Å; Y283-A298 PolarHBondContact O-N 3.01Å; A298-S304 WeakPolarHBondContact CA-OG 3.27Å; A298-P330 HydrophobicContact CB-CB 3.85Å; A298-P330 HydrophobicContact CB-CG 3.98Å; A298-V333 HydrophobicContact CB-CG2 3.78Å
299	Q	95.5	Very high	95.1	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.6	-175.2	-49	-178.8	-93.2	0	0	112	S278 S280 V297 G303 S304 H305 P330	S278-Q299 VanDerWaalsContact OG-CD 3.25Å; S278-Q299 WeakPolarHBondContact OG-CG 3.45Å; S278-Q299 PolarHBondContact OG-NE2 2.86Å; S280-Q299 WeakPolarHBondContact O-CA 3.45Å; V297-Q299 HydrophobicContact CG1-CG 3.81Å; Q299-G303 WeakPolarHBondContact CB-O 3.29Å; Q299-G303 PolarHBondContact OE1-O 3.49Å; Q299-S304 PolarHBondContact N-OG 2.58Å; Q299-S304 PolarHBondContact O-OG 3.01Å; Q299-H305 PolarHBondContact OE1-CD2 2.89Å; Q299-P330 WeakPolarHBondContact O-CD 3.48Å; Q299-P330 VanDerWaalsContact O-CG 3.25Å; Q299-P330 WeakPolarHBondContact O-CG 3.38Å
300	L	94.6	Very high	95.1	Very high	73 Å²	73	40.3 Å²	40.3	38%	0.382	22%	0.221	S	C	.	.	S	Bend	trans	-80.2	-29	176.1	-67.4	173.8	0	0	0	113.3	S280 V282 K329	S280-L300 PolarHBondContact O-N 3.16Å; S280-L300 PolarHBondContact OG-N 2.83Å; V282-L300 HydrophobicContact CG1-CD1 3.76Å; V282-L300 HydrophobicContact CG1-CD2 4.21Å; V282-L300 HydrophobicContact CG1-CG 3.6Å; L300-K329 HydrophobicContact CD2-CB 4.27Å
301	F	91.2	Very high	95	Very high	155 Å²	155	36.9 Å²	36.9	68%	0.68	20%	0.2	S	C	*	.	S	Bend	trans	-130	139.3	-177.8	-57.8	-79.9	0	0	0	110.2	S280	S280-F301 PolarHBondContact OG-N 3.39Å; S280-F301 PolarHBondContact OG-O 3.06Å
302	G	88.3	Confident	95	Very high	73 Å²	73	38.9 Å²	38.9	75%	0.753	21%	0.211	S	C	*	.	S	Bend	trans	90.9	-3.3	179.2	0	0	0	0	0	115.2
303	G	92	Very high	94.7	Very high	16 Å²	16	40.9 Å²	40.9	17%	0.165	22%	0.224	C	C	.	.			trans	85.3	162.9	-173	0	0	0	0	0	111.7	Q299	Q299-G303 WeakPolarHBondContact CB-O 3.29Å; Q299-G303 PolarHBondContact OE1-O 3.49Å
304	S	96.4	Very high	94.5	Very high	4 Å²	4	46 Å²	46	3%	0.028	25%	0.248	C	C	.	.			trans	-98.5	153.2	176.4	-60.1	0	0	0	0	110.1	V297 A298 Q299 I322	V297-S304 WeakPolarHBondContact O-CA 3.31Å; V297-S304 WeakPolarHBondContact O-CB 3.35Å; A298-S304 WeakPolarHBondContact CA-OG 3.27Å; Q299-S304 PolarHBondContact N-OG 2.58Å; Q299-S304 PolarHBondContact O-OG 3.01Å; S304-I322 WeakPolarHBondContact O-CB 3.16Å; S304-I322 PolarHBondContact O-N 3.2Å
305	H	97	Very high	94.4	Very high	21 Å²	21	50.9 Å²	50.9	10%	0.097	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.4	-169.7	-55	-47.4	0	0	0	112.1	V297 Q299 Y307 K318 Q320 D321	V297-H305 PolarHBondContact N-O 2.82Å; V297-H305 PolarHBondContact O-N 2.91Å; Q299-H305 PolarHBondContact OE1-CD2 2.89Å; H305-Y307 HydrophobicContact CB-CD2 4.34Å; H305-Y307 HydrophobicContact CB-CE2 3.66Å; H305-K318 HydrophobicContact CB-CD 4.4Å; H305-K318 HydrophobicContact CB-CG 4.38Å; H305-K318 PolarHBondContact CE1-NZ 2.76Å; H305-K318 VanDerWaalsContact CE1-NZ 3.25Å; H305-K318 WeakPolarHBondContact ND1-CE 3.31Å; H305-K318 PolarHBondContact ND1-NZ 3.34Å; H305-Q320 WeakPolarHBondContact CA-O 3.15Å; H305-D321 IonicContact CE1-OD1 2.69Å; H305-D321 PolarHBondContact CE1-OD1 3.28Å; H305-D321 IonicContact ND1-OD1 2.97Å; H305-D321 PolarHBondContact ND1-OD1 2.88Å
306	I	97.4	Very high	94.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.7	171.9	-50.5	178.7	0	0	0	108.3	M295 I319 Q320 I322 F344 F365	M295-I306 WeakPolarHBondContact O-CA 3.3Å; I306-I319 HydrophobicContact CB-CG1 4.35Å; I306-I319 HydrophobicContact CG2-CD1 4.17Å; I306-I319 HydrophobicContact CG2-CG1 4.17Å; I306-I319 WeakPolarHBondContact O-CG1 3.21Å; I306-I319 PolarHBondContact O-N 2.82Å; I306-Q320 HydrophobicContact CB-CB 4.13Å; I306-Q320 HydrophobicContact CD1-CB 4.35Å; I306-Q320 HydrophobicContact CG1-CB 4.43Å; I306-Q320 PolarHBondContact N-O 2.85Å; I306-Q320 PolarHBondContact O-N 3.19Å; I306-I322 HydrophobicContact CD1-CG1 4.41Å; I306-I322 HydrophobicContact CG1-CD1 4.17Å; I306-I322 HydrophobicContact CG1-CG1 4.07Å; I306-F344 HydrophobicContact CD1-CE1 3.89Å; I306-F344 HydrophobicContact CD1-CZ 3.95Å; I306-F365 HydrophobicContact CD1-CB 3.71Å; I306-F365 HydrophobicContact CD1-CD2 3.94Å; I306-F365 HydrophobicContact CD1-CG 4.23Å
307	Y	97.4	Very high	94.3	Very high	28 Å²	28	53.4 Å²	53.4	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.8	176.2	-62.5	-101.5	0	0	0	110.2	I276 Y294 M295 V297 H305 F316 V317 K318	I276-Y307 HydrophobicContact CG2-CD1 3.98Å; I276-Y307 HydrophobicContact CG2-CD2 3.98Å; I276-Y307 HydrophobicContact CG2-CE1 3.7Å; I276-Y307 HydrophobicContact CG2-CE2 3.7Å; I276-Y307 HydrophobicContact CG2-CG 4.12Å; Y294-Y307 CarbonylContact C-O 3.56Å; Y294-Y307 VanDerWaalsContact CA-O 3.24Å; Y294-Y307 WeakPolarHBondContact CA-O 3.42Å; M295-Y307 PolarHBondContact N-O 2.76Å; M295-Y307 PolarHBondContact O-N 3.39Å; V297-Y307 HydrophobicContact CB-CD2 4.26Å; V297-Y307 HydrophobicContact CB-CE2 4Å; V297-Y307 HydrophobicContact CG2-CD2 3.66Å; V297-Y307 HydrophobicContact CG2-CE2 3.74Å; H305-Y307 HydrophobicContact CB-CD2 4.34Å; H305-Y307 HydrophobicContact CB-CE2 3.66Å; Y307-F316 HydrophobicContact CD1-CB 4.15Å; Y307-F316 HydrophobicContact CG-CB 4.43Å; Y307-V317 CarbonylContact C-O 3.57Å; Y307-V317 VanDerWaalsContact CA-O 3.25Å; Y307-V317 WeakPolarHBondContact CA-O 3.5Å; Y307-K318 HydrophobicContact CD1-CB 3.9Å; Y307-K318 HydrophobicContact CE1-CB 3.65Å; Y307-K318 HydrophobicContact CE1-CG 4.4Å
308	K	96.8	Very high	94.2	Very high	69 Å²	69	57.6 Å²	57.6	30%	0.3	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.1	172.6	-177.1	-171	175.3	-164.9	0	108.8	T292 Y294 F316 V317 I319	T292-K308 HydrophobicContact CG2-CD 4.42Å; T292-K308 HydrophobicContact CG2-CG 4Å; Y294-K308 HydrophobicContact CD1-CB 4.01Å; Y294-K308 HydrophobicContact CD1-CG 4.12Å; Y294-K308 HydrophobicContact CE1-CB 3.95Å; Y294-K308 HydrophobicContact CE1-CD 4.09Å; Y294-K308 HydrophobicContact CE1-CG 3.69Å; K308-F316 WeakPolarHBondContact O-CA 3.08Å; K308-V317 PolarHBondContact N-O 3.3Å; K308-V317 PolarHBondContact O-N 2.8Å; K308-I319 HydrophobicContact CB-CD1 4.11Å; K308-I319 HydrophobicContact CB-CG1 4.28Å; K308-I319 HydrophobicContact CB-CG2 3.63Å; K308-I319 HydrophobicContact CD-CG2 4.43Å
309	W	96	Very high	94.1	Very high	12 Å²	12	60.6 Å²	60.6	5%	0.045	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.6	170.2	-175.9	-108.5	0	0	0	110.5	F242 Y273 H274 L293 E311 Q314 F316	F242-W309 AromaticContact CE1-CD1 3.82Å; F242-W309 AromaticContact CE1-NE1 3.97Å; F242-W309 AromaticContact CZ-CD1 3.86Å; Y273-W309 AromaticContact CE1-CH2 3.51Å; Y273-W309 HydrophobicContact CE1-CH2 3.51Å; Y273-W309 AromaticContact CE1-CZ2 3.88Å; Y273-W309 HydrophobicContact CE1-CZ2 3.88Å; Y273-W309 HydrophobicContact CE1-CZ3 4.11Å; Y273-W309 AromaticContact CZ-CH2 3.81Å; Y273-W309 AromaticContact CZ-CZ2 3.87Å; Y273-W309 WeakPolarHBondContact OH-CH2 3.49Å; Y273-W309 WeakPolarHBondContact OH-CZ2 3.46Å; H274-W309 HydrophobicContact CB-CZ3 4.45Å; H274-W309 AromaticContact CD2-CZ3 3.83Å; L293-W309 HydrophobicContact CB-CB 3.8Å; L293-W309 HydrophobicContact CB-CG 4.44Å; L293-W309 HydrophobicContact CD2-CB 4.4Å; L293-W309 HydrophobicContact CG-CB 4.3Å; L293-W309 WeakPolarHBondContact O-CB 3.21Å; L293-W309 PolarHBondContact O-N 2.81Å; W309-E311 VanDerWaalsContact NE1-CD 3.27Å; W309-E311 PolarHBondContact NE1-OE1 2.99Å; W309-Q314 HydrophobicContact CH2-CB 3.89Å; W309-Q314 HydrophobicContact CZ2-CB 3.75Å; W309-Q314 HydrophobicContact CZ2-CG 4.01Å; W309-F316 HydrophobicContact CB-CD1 4.46Å; W309-F316 HydrophobicContact CB-CE1 4.04Å; W309-F316 HydrophobicContact CB-CZ 4.32Å; W309-F316 HydrophobicContact CD2-CE2 4.36Å; W309-F316 HydrophobicContact CD2-CZ 4.46Å; W309-F316 HydrophobicContact CE3-CD1 4.39Å; W309-F316 AromaticContact CE3-CD2 3.49Å; W309-F316 HydrophobicContact CE3-CD2 3.49Å; W309-F316 VanDerWaalsContact CE3-CD2 3.49Å; W309-F316 HydrophobicContact CE3-CE1 4.26Å; W309-F316 AromaticContact CE3-CE2 3.28Å; W309-F316 HydrophobicContact CE3-CE2 3.28Å; W309-F316 HydrophobicContact CE3-CG 4.06Å; W309-F316 AromaticContact CE3-CZ 3.73Å; W309-F316 HydrophobicContact CE3-CZ 3.73Å; W309-F316 AromaticContact CZ3-CD2 3.73Å; W309-F316 HydrophobicContact CZ3-CD2 3.73Å; W309-F316 AromaticContact CZ3-CE2 3.63Å; W309-F316 HydrophobicContact CZ3-CE2 3.63Å; W309-F316 HydrophobicContact CZ3-CZ 4.47Å
310	E	94.9	Very high	94.2	Very high	64 Å²	64	61.8 Å²	61.8	30%	0.299	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.7	169.5	-64.4	-172.7	166.4	0	0	108.2	P313 Q314 R315 V317	E310-P313 VanDerWaalsContact O-O 3.08Å; E310-Q314 CarbonylContact O-C 3.53Å; E310-Q314 WeakPolarHBondContact O-CA 3.43Å; E310-R315 PolarHBondContact N-O 3.28Å; E310-R315 PolarHBondContact O-N 3.04Å; E310-R315 IonicContact OE2-NE 3.7Å; E310-R315 IonicContact OE2-NH2 3.78Å; E310-V317 VanDerWaalsContact CD-CG2 3.5Å; E310-V317 HydrophobicContact CG-CG2 4.01Å; E310-V317 VanDerWaalsContact OE2-CG2 3.31Å; E310-V317 WeakPolarHBondContact OE2-CG2 3.4Å
311	E	88.9	Confident	94.2	Very high	73 Å²	73	62.9 Å²	62.9	34%	0.341	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-25.9	-179.7	-71.3	-67.2	161.8	0	0	112.9	W309 P313 Q314	W309-E311 VanDerWaalsContact NE1-CD 3.27Å; W309-E311 PolarHBondContact NE1-OE1 2.99Å; E311-P313 VanDerWaalsContact C-C 3.46Å; E311-P313 CarbonylContact O-C 3.31Å; E311-P313 VanDerWaalsContact O-C 3.31Å; E311-Q314 WeakPolarHBondContact O-CG 3.4Å; E311-Q314 PolarHBondContact O-N 3.24Å; E311-Q314 PolarHBondContact OE2-NE2 3.46Å
312	D	89.1	Confident	94.4	Very high	154 Å²	154	55.7 Å²	55.7	82%	0.824	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	91.5	-171.8	-71.5	-55.1	0	0	0	112.2
313	P	89.6	Confident	94.5	Very high	83 Å²	83	54.9 Å²	54.9	54%	0.539	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	cis	-77.6	152.9	-4.5	32.9	-34.9	0	0	0	112.2	E310 E311 R315	E310-P313 VanDerWaalsContact O-O 3.08Å; E311-P313 VanDerWaalsContact C-C 3.46Å; E311-P313 CarbonylContact O-C 3.31Å; E311-P313 VanDerWaalsContact O-C 3.31Å; P313-R315 WeakPolarHBondContact O-CG 3.36Å; P313-R315 PolarHBondContact O-N 3.38Å
314	Q	91.8	Very high	94.4	Very high	113 Å²	113	58.1 Å²	58.1	53%	0.528	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	99.5	176.5	-71.1	-169.7	-18.2	0	0	112.1	W309 E310 E311	W309-Q314 HydrophobicContact CH2-CB 3.89Å; W309-Q314 HydrophobicContact CZ2-CB 3.75Å; W309-Q314 HydrophobicContact CZ2-CG 4.01Å; E310-Q314 CarbonylContact O-C 3.53Å; E310-Q314 WeakPolarHBondContact O-CA 3.43Å; E311-Q314 WeakPolarHBondContact O-CG 3.4Å; E311-Q314 PolarHBondContact O-N 3.24Å; E311-Q314 PolarHBondContact OE2-NE2 3.46Å
315	R	94.9	Very high	94	Very high	117 Å²	117	62.3 Å²	62.3	44%	0.442	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	159.9	179.2	71.5	-172	173.8	149.1	5.3	112.4	E310 P313 V317	E310-R315 PolarHBondContact N-O 3.28Å; E310-R315 PolarHBondContact O-N 3.04Å; E310-R315 IonicContact OE2-NE 3.7Å; E310-R315 IonicContact OE2-NH2 3.78Å; P313-R315 WeakPolarHBondContact O-CG 3.36Å; P313-R315 PolarHBondContact O-N 3.38Å; R315-V317 HydrophobicContact CG-CG2 3.89Å
316	F	96.4	Very high	93.7	Very high	20 Å²	20	65.8 Å²	65.8	9%	0.088	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.6	162.7	-79.6	-81	0	0	0	111.5	L260 H274 I276 L293 M295 Y307 K308 W309	L260-F316 HydrophobicContact CD2-CD2 4.49Å; L260-F316 HydrophobicContact CD2-CE2 3.38Å; L260-F316 HydrophobicContact CD2-CZ 3.67Å; H274-F316 AromaticContact CE1-CD2 3.93Å; H274-F316 AromaticContact ND1-CD2 3.66Å; I276-F316 HydrophobicContact CD1-CB 4.09Å; I276-F316 HydrophobicContact CD1-CD1 3.94Å; I276-F316 HydrophobicContact CD1-CD2 3.72Å; I276-F316 HydrophobicContact CD1-CE1 4.3Å; I276-F316 HydrophobicContact CD1-CE2 4.12Å; I276-F316 HydrophobicContact CD1-CG 3.61Å; I276-F316 HydrophobicContact CD1-CZ 4.38Å; I276-F316 HydrophobicContact CG1-CB 3.94Å; I276-F316 HydrophobicContact CG1-CD2 3.73Å; I276-F316 HydrophobicContact CG1-CE2 4.45Å; I276-F316 HydrophobicContact CG1-CG 3.83Å; L293-F316 HydrophobicContact CD2-CE1 4.25Å; L293-F316 HydrophobicContact CD2-CZ 3.65Å; L293-F316 HydrophobicContact CG-CE1 4.19Å; L293-F316 HydrophobicContact CG-CZ 4.08Å; M295-F316 HydrophobicContact CB-CD1 4.26Å; M295-F316 HydrophobicContact CB-CE1 3.88Å; Y307-F316 HydrophobicContact CD1-CB 4.15Å; Y307-F316 HydrophobicContact CG-CB 4.43Å; K308-F316 WeakPolarHBondContact O-CA 3.08Å; W309-F316 HydrophobicContact CB-CD1 4.46Å; W309-F316 HydrophobicContact CB-CE1 4.04Å; W309-F316 HydrophobicContact CB-CZ 4.32Å; W309-F316 HydrophobicContact CD2-CE2 4.36Å; W309-F316 HydrophobicContact CD2-CZ 4.46Å; W309-F316 HydrophobicContact CE3-CD1 4.39Å; W309-F316 AromaticContact CE3-CD2 3.49Å; W309-F316 HydrophobicContact CE3-CD2 3.49Å; W309-F316 VanDerWaalsContact CE3-CD2 3.49Å; W309-F316 HydrophobicContact CE3-CE1 4.26Å; W309-F316 AromaticContact CE3-CE2 3.28Å; W309-F316 HydrophobicContact CE3-CE2 3.28Å; W309-F316 HydrophobicContact CE3-CG 4.06Å; W309-F316 AromaticContact CE3-CZ 3.73Å; W309-F316 HydrophobicContact CE3-CZ 3.73Å; W309-F316 AromaticContact CZ3-CD2 3.73Å; W309-F316 HydrophobicContact CZ3-CD2 3.73Å; W309-F316 AromaticContact CZ3-CE2 3.63Å; W309-F316 HydrophobicContact CZ3-CE2 3.63Å; W309-F316 HydrophobicContact CZ3-CZ 4.47Å
317	V	96.1	Very high	93.5	Very high	34 Å²	34	66.1 Å²	66.1	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128	172.2	-179.1	0	0	0	0	109.3	Y307 K308 E310 R315 I319	Y307-V317 CarbonylContact C-O 3.57Å; Y307-V317 VanDerWaalsContact CA-O 3.25Å; Y307-V317 WeakPolarHBondContact CA-O 3.5Å; K308-V317 PolarHBondContact N-O 3.3Å; K308-V317 PolarHBondContact O-N 2.8Å; E310-V317 VanDerWaalsContact CD-CG2 3.5Å; E310-V317 HydrophobicContact CG-CG2 4.01Å; E310-V317 VanDerWaalsContact OE2-CG2 3.31Å; E310-V317 WeakPolarHBondContact OE2-CG2 3.4Å; R315-V317 HydrophobicContact CG-CG2 3.89Å; V317-I319 PolarHBondContact O-N 2.96Å
318	K	96.5	Very high	93.4	Very high	87 Å²	87	71.2 Å²	71.2	38%	0.378	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	118.3	172.2	179.5	-177.1	168.7	-178	0	108.6	H305 Y307 D321	H305-K318 HydrophobicContact CB-CD 4.4Å; H305-K318 HydrophobicContact CB-CG 4.38Å; H305-K318 PolarHBondContact CE1-NZ 2.76Å; H305-K318 VanDerWaalsContact CE1-NZ 3.25Å; H305-K318 WeakPolarHBondContact ND1-CE 3.31Å; H305-K318 PolarHBondContact ND1-NZ 3.34Å; Y307-K318 HydrophobicContact CD1-CB 3.9Å; Y307-K318 HydrophobicContact CE1-CB 3.65Å; Y307-K318 HydrophobicContact CE1-CG 4.4Å; K318-D321 WeakPolarHBondContact CE-OD1 3.37Å; K318-D321 WeakPolarHBondContact CE-OD2 3.44Å; K318-D321 VanDerWaalsContact NZ-CG 3.27Å; K318-D321 IonicContact NZ-OD1 3.96Å; K318-D321 PolarHBondContact NZ-OD1 3.03Å; K318-D321 IonicContact NZ-OD2 3.64Å; K318-D321 PolarHBondContact NZ-OD2 2.86Å; K318-D321 VanDerWaalsContact NZ-OD2 3.16Å
319	I	96.1	Very high	93.4	Very high	64 Å²	64	73.6 Å²	73.6	33%	0.328	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-23.4	179.8	57.7	159.2	0	0	0	113	Y294 I306 K308 V317	Y294-I319 HydrophobicContact CD1-CD1 3.89Å; Y294-I319 HydrophobicContact CE1-CD1 3.79Å; I306-I319 HydrophobicContact CB-CG1 4.35Å; I306-I319 HydrophobicContact CG2-CD1 4.17Å; I306-I319 HydrophobicContact CG2-CG1 4.17Å; I306-I319 WeakPolarHBondContact O-CG1 3.21Å; I306-I319 PolarHBondContact O-N 2.82Å; K308-I319 HydrophobicContact CB-CD1 4.11Å; K308-I319 HydrophobicContact CB-CG1 4.28Å; K308-I319 HydrophobicContact CB-CG2 3.63Å; K308-I319 HydrophobicContact CD-CG2 4.43Å; V317-I319 PolarHBondContact O-N 2.96Å
320	Q	96.2	Very high	93.5	Very high	38 Å²	38	73 Å²	73	18%	0.178	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	144.9	-173	-167.8	174	3.4	0	0	113.3	H305 I306 F365	H305-Q320 WeakPolarHBondContact CA-O 3.15Å; I306-Q320 HydrophobicContact CB-CB 4.13Å; I306-Q320 HydrophobicContact CD1-CB 4.35Å; I306-Q320 HydrophobicContact CG1-CB 4.43Å; I306-Q320 PolarHBondContact N-O 2.85Å; I306-Q320 PolarHBondContact O-N 3.19Å; Q320-F365 VanDerWaalsContact CD-O 3.29Å; Q320-F365 PolarHBondContact NE2-O 3.3Å; Q320-F365 PolarHBondContact OE1-O 3.29Å
321	D	95.8	Very high	93.5	Very high	95 Å²	95	73.5 Å²	73.5	51%	0.508	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.6	166.6	-73.5	-72.2	0	0	0	111	H305 K318	H305-D321 IonicContact CE1-OD1 2.69Å; H305-D321 PolarHBondContact CE1-OD1 3.28Å; H305-D321 IonicContact ND1-OD1 2.97Å; H305-D321 PolarHBondContact ND1-OD1 2.88Å; K318-D321 WeakPolarHBondContact CE-OD1 3.37Å; K318-D321 WeakPolarHBondContact CE-OD2 3.44Å; K318-D321 VanDerWaalsContact NZ-CG 3.27Å; K318-D321 IonicContact NZ-OD1 3.96Å; K318-D321 PolarHBondContact NZ-OD1 3.03Å; K318-D321 IonicContact NZ-OD2 3.64Å; K318-D321 PolarHBondContact NZ-OD2 2.86Å; K318-D321 VanDerWaalsContact NZ-OD2 3.16Å
322	I	95.1	Very high	94	Very high	5 Å²	5	71 Å²	71	3%	0.026	35%	0.349	C	S	.	.			trans	-83.8	133.1	171.1	-64.1	179.1	0	0	0	108.2	V296 S304 I306 T324 V327 F344 Y358	V296-I322 HydrophobicContact CG1-CD1 3.94Å; S304-I322 WeakPolarHBondContact O-CB 3.16Å; S304-I322 PolarHBondContact O-N 3.2Å; I306-I322 HydrophobicContact CD1-CG1 4.41Å; I306-I322 HydrophobicContact CG1-CD1 4.17Å; I306-I322 HydrophobicContact CG1-CG1 4.07Å; I322-T324 PolarHBondContact O-N 3.36Å; I322-V327 HydrophobicContact CG2-CB 4.09Å; I322-V327 HydrophobicContact CG2-CG2 4Å; I322-F344 HydrophobicContact CD1-CE2 4.34Å; I322-F344 HydrophobicContact CD1-CZ 4.21Å; I322-Y358 HydrophobicContact CG2-CE1 4.36Å; I322-Y358 HydrophobicContact CG2-CE2 4.22Å; I322-Y358 WeakPolarHBondContact CG2-OH 3.33Å
323	D	90.8	Very high	94.4	Very high	55 Å²	55	63.7 Å²	63.7	29%	0.294	31%	0.31	S	S	.	.			trans	-55.1	105.3	-176.2	-177.9	-1.8	0	0	0	112.7	T325 R326 V327	D323-T325 VanDerWaalsContact CG-OG1 3.24Å; D323-T325 PolarHBondContact O-N 2.84Å; D323-T325 VanDerWaalsContact OD1-CB 3.31Å; D323-T325 WeakPolarHBondContact OD1-CB 3.46Å; D323-T325 PolarHBondContact OD1-N 2.85Å; D323-T325 PolarHBondContact OD1-OG1 2.8Å; D323-T325 PolarHBondContact OD2-OG1 2.7Å; D323-R326 PolarHBondContact O-N 2.83Å; D323-R326 WeakPolarHBondContact OD2-CD 2.96Å; D323-R326 WeakPolarHBondContact OD2-CG 3.13Å; D323-R326 IonicContact OD2-NE 3.55Å; D323-R326 PolarHBondContact OD2-NE 3.15Å; D323-R326 VanDerWaalsContact OD2-NE 3.13Å; D323-V327 PolarHBondContact O-N 2.79Å
324	T	89.3	Confident	94.8	Very high	84 Å²	84	60.8 Å²	60.8	52%	0.515	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.5	-178.9	57.3	0	0	0	0	113.5	I322 R326 V327 R328	I322-T324 PolarHBondContact O-N 3.36Å; T324-R326 VanDerWaalsContact C-N 3.31Å; T324-V327 WeakPolarHBondContact CA-O 3.43Å; T324-R328 WeakPolarHBondContact O-CG 3.16Å
325	T	88.1	Confident	95.1	Very high	93 Å²	93	56.8 Å²	56.8	57%	0.571	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-30.7	175.6	71.2	0	0	0	0	111.2	D323	D323-T325 VanDerWaalsContact CG-OG1 3.24Å; D323-T325 PolarHBondContact O-N 2.84Å; D323-T325 VanDerWaalsContact OD1-CB 3.31Å; D323-T325 WeakPolarHBondContact OD1-CB 3.46Å; D323-T325 PolarHBondContact OD1-N 2.85Å; D323-T325 PolarHBondContact OD1-OG1 2.8Å; D323-T325 PolarHBondContact OD2-OG1 2.7Å
326	R	89.9	Confident	95.2	Very high	94 Å²	94	51.5 Å²	51.5	36%	0.355	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-46.6	179.9	-62.8	177.1	-170.6	-107.4	0.3	112.9	D323 T324 G353 S354 S370	D323-R326 PolarHBondContact O-N 2.83Å; D323-R326 WeakPolarHBondContact OD2-CD 2.96Å; D323-R326 WeakPolarHBondContact OD2-CG 3.13Å; D323-R326 IonicContact OD2-NE 3.55Å; D323-R326 PolarHBondContact OD2-NE 3.15Å; D323-R326 VanDerWaalsContact OD2-NE 3.13Å; T324-R326 VanDerWaalsContact C-N 3.31Å; R326-G353 CarbonylContact O-C 3.52Å; R326-G353 WeakPolarHBondContact O-CA 3.49Å; R326-S354 PolarHBondContact O-N 3.12Å; R326-S370 PolarHBondContact NH1-OG 3.23Å
327	V	94.9	Very high	95.1	Very high	7 Å²	7	55 Å²	55	4%	0.042	27%	0.269	C	S	.	.			trans	-104.8	106.1	-179.3	-178.8	0	0	0	0	108.6	I322 D323 T324 P330 V346 D348 Y358	I322-V327 HydrophobicContact CG2-CB 4.09Å; I322-V327 HydrophobicContact CG2-CG2 4Å; D323-V327 PolarHBondContact O-N 2.79Å; T324-V327 WeakPolarHBondContact CA-O 3.43Å; V327-P330 HydrophobicContact CG1-CB 3.89Å; V327-P330 HydrophobicContact CG1-CG 4.22Å; V327-V346 HydrophobicContact CG1-CB 4.46Å; V327-V346 HydrophobicContact CG1-CG1 3.75Å; V327-V346 HydrophobicContact CG2-CB 4.29Å; V327-V346 HydrophobicContact CG2-CG1 4.44Å; V327-D348 WeakPolarHBondContact CA-OD2 3.36Å; V327-Y358 HydrophobicContact CG2-CE2 4.36Å
328	R	94.5	Very high	95.1	Very high	135 Å²	135	53.4 Å²	53.4	51%	0.509	26%	0.26	S	S	.	.	S	Bend	trans	-111.4	-43.6	-176.3	-66.6	-172.9	178.8	-148	-0.2	113.2	T324 D348 A352	T324-R328 WeakPolarHBondContact O-CG 3.16Å; R328-D348 PolarHBondContact N-OD2 2.97Å; R328-A352 PolarHBondContact NE-O 3.2Å
329	K	96.7	Very high	94.7	Very high	118 Å²	118	52.1 Å²	52.1	51%	0.513	26%	0.257	S	S	.	.	S	Bend	trans	-132	71.8	178.6	-65.8	-165.8	176.1	-168.9	0	109.6	L300 D348 S349	L300-K329 HydrophobicContact CD2-CB 4.27Å; K329-D348 PolarHBondContact N-OD1 2.99Å; K329-D348 PolarHBondContact N-OD2 3.13Å; K329-S349 WeakPolarHBondContact CB-OG 3.34Å; K329-S349 PolarHBondContact O-N 2.62Å; K329-S349 PolarHBondContact O-OG 2.85Å
330	P	97.3	Very high	94.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	147.6	179	29.8	-36.6	0	0	0	110.2	V282 A298 Q299 V327 V346 A347	V282-P330 HydrophobicContact CG2-CB 4.39Å; V282-P330 HydrophobicContact CG2-CG 4.06Å; V282-P330 WeakPolarHBondContact CG2-O 3.17Å; A298-P330 HydrophobicContact CB-CB 3.85Å; A298-P330 HydrophobicContact CB-CG 3.98Å; Q299-P330 WeakPolarHBondContact O-CD 3.48Å; Q299-P330 VanDerWaalsContact O-CG 3.25Å; Q299-P330 WeakPolarHBondContact O-CG 3.38Å; V327-P330 HydrophobicContact CG1-CB 3.89Å; V327-P330 HydrophobicContact CG1-CG 4.22Å; P330-V346 HydrophobicContact CB-CG1 3.54Å; P330-A347 CarbonylContact C-O 3.35Å; P330-A347 VanDerWaalsContact CA-O 3.31Å; P330-A347 WeakPolarHBondContact CA-O 3.3Å
331	N	96.8	Very high	94.1	Very high	73 Å²	73	56.9 Å²	56.9	39%	0.39	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-33.7	177.6	-164.8	71.2	0	0	0	112.9	A347 T378	N331-A347 PolarHBondContact N-O 3.29Å; N331-T378 PolarHBondContact ND2-O 3.34Å
332	F	98	Very high	94.1	Very high	21 Å²	21	55.2 Å²	55.2	9%	0.092	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	149.3	-177.6	-165.9	-93.1	0	0	0	110	Y283 E334 A347 H379	Y283-F332 AromaticContact CD2-CD2 3.99Å; Y283-F332 HydrophobicContact CD2-CD2 3.99Å; Y283-F332 HydrophobicContact CD2-CE2 4.43Å; Y283-F332 HydrophobicContact CD2-CG 4.48Å; Y283-F332 AromaticContact CE2-CD2 3.3Å; Y283-F332 HydrophobicContact CE2-CD2 3.3Å; Y283-F332 AromaticContact CE2-CE2 3.34Å; Y283-F332 HydrophobicContact CE2-CE2 3.34Å; Y283-F332 HydrophobicContact CE2-CG 4.06Å; Y283-F332 HydrophobicContact CE2-CZ 4.11Å; Y283-F332 AromaticContact CZ-CD2 3.96Å; Y283-F332 AromaticContact CZ-CE2 3.6Å; Y283-F332 AromaticContact CZ-CZ 3.92Å; Y283-F332 WeakPolarHBondContact OH-CE2 3.35Å; Y283-F332 VanDerWaalsContact OH-CZ 3.29Å; Y283-F332 WeakPolarHBondContact OH-CZ 3.04Å; F332-E334 HydrophobicContact CD1-CB 4.36Å; F332-E334 HydrophobicContact CE1-CB 4.02Å; F332-A347 HydrophobicContact CB-CB 4.1Å; F332-A347 PolarHBondContact O-N 3.04Å; F332-H379 AromaticContact CD1-CD2 3.74Å; F332-H379 AromaticContact CD1-NE2 3.94Å; F332-H379 AromaticContact CD2-CD2 3.53Å; F332-H379 AromaticContact CE1-CD2 3.79Å; F332-H379 AromaticContact CE1-NE2 3.5Å; F332-H379 WeakPolarHBondContact CE1-NE2 2.99Å; F332-H379 AromaticContact CE2-CD2 3.57Å; F332-H379 AromaticContact CE2-NE2 3.59Å; F332-H379 AromaticContact CG-CD2 3.62Å; F332-H379 AromaticContact CZ-CD2 3.73Å; F332-H379 AromaticContact CZ-NE2 3.32Å; F332-H379 VanDerWaalsContact CZ-NE2 3.32Å; F332-H379 WeakPolarHBondContact CZ-NE2 3.37Å
333	V	98.3	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.5	174.4	-177.3	0	0	0	0	108.6	Y283 K285 V296 A298 F344 A345 V346	Y283-V333 HydrophobicContact CD1-CB 3.95Å; Y283-V333 HydrophobicContact CD1-CG2 4.32Å; Y283-V333 HydrophobicContact CE1-CB 4.49Å; Y283-V333 HydrophobicContact CG-CB 4.34Å; Y283-V333 HydrophobicContact CG-CG2 4.33Å; K285-V333 HydrophobicContact CB-CB 3.99Å; K285-V333 HydrophobicContact CB-CG1 3.78Å; K285-V333 HydrophobicContact CG-CB 4.43Å; K285-V333 HydrophobicContact CG-CG1 4.01Å; V296-V333 HydrophobicContact CB-CG1 4.37Å; V296-V333 HydrophobicContact CG1-CG1 4Å; V296-V333 HydrophobicContact CG1-CG2 4.42Å; A298-V333 HydrophobicContact CB-CG2 3.78Å; V333-F344 HydrophobicContact CG1-CB 4.47Å; V333-F344 HydrophobicContact CG1-CD2 4.27Å; V333-A345 WeakPolarHBondContact CA-O 3.31Å; V333-V346 HydrophobicContact CG2-CG1 4.38Å; V333-V346 HydrophobicContact CG2-CG2 4.32Å
334	E	97.9	Very high	94.6	Very high	22 Å²	22	52.4 Å²	52.4	10%	0.103	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.9	174.8	-168.6	58.1	-83	0	0	110.6	K285 F332 F344 A345 V380 F382 K428	K285-E334 IonicContact NZ-OE1 3.59Å; K285-E334 PolarHBondContact NZ-OE1 3.05Å; F332-E334 HydrophobicContact CD1-CB 4.36Å; F332-E334 HydrophobicContact CE1-CB 4.02Å; E334-F344 CarbonylContact O-C 3.57Å; E334-F344 WeakPolarHBondContact O-CA 3.22Å; E334-F344 WeakPolarHBondContact O-CB 3.31Å; E334-A345 PolarHBondContact N-O 3.47Å; E334-A345 PolarHBondContact O-N 2.82Å; E334-V380 HydrophobicContact CB-CB 4.33Å; E334-V380 HydrophobicContact CB-CG1 4.3Å; E334-F382 HydrophobicContact CG-CB 4.27Å; E334-K428 IonicContact OE2-NZ 2.69Å
335	T	97.6	Very high	95	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.9	-179.8	52.7	0	0	0	0	110	K285 V287 Y343 F344	K285-T335 HydrophobicContact CD-CG2 4.31Å; K285-T335 WeakPolarHBondContact CE-OG1 3.16Å; K285-T335 HydrophobicContact CG-CG2 3.57Å; V287-T335 HydrophobicContact CG2-CG2 3.57Å; T335-Y343 WeakPolarHBondContact CA-O 3.47Å; T335-F344 HydrophobicContact CG2-CB 3.82Å
336	F	97.1	Very high	95.5	Very high	6 Å²	6	44 Å²	44	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	163.6	-178.1	49.5	-89.8	0	0	0	111	L338 Y343 A345 I357 F382 L391 F412	F336-L338 HydrophobicContact CD2-CD1 4.04Å; F336-L338 HydrophobicContact CD2-CG 4.07Å; F336-L338 HydrophobicContact CE2-CD1 3.76Å; F336-L338 HydrophobicContact CE2-CG 4.31Å; F336-Y343 HydrophobicContact CD2-CG 4.47Å; F336-Y343 HydrophobicContact CE2-CG 4.01Å; F336-Y343 PolarHBondContact N-O 2.88Å; F336-Y343 PolarHBondContact O-N 3.27Å; F336-Y343 VanDerWaalsContact O-O 3.06Å; F336-A345 HydrophobicContact CE1-CB 3.86Å; F336-A345 HydrophobicContact CZ-CB 4.36Å; F336-I357 HydrophobicContact CZ-CG2 4.24Å; F336-F382 HydrophobicContact CB-CB 3.99Å; F336-F382 HydrophobicContact CB-CD1 3.47Å; F336-F382 VanDerWaalsContact CB-CD1 3.47Å; F336-F382 HydrophobicContact CB-CD2 3.7Å; F336-F382 HydrophobicContact CB-CE1 3.77Å; F336-F382 HydrophobicContact CB-CE2 3.97Å; F336-F382 HydrophobicContact CB-CG 3.42Å; F336-F382 VanDerWaalsContact CB-CG 3.42Å; F336-F382 HydrophobicContact CB-CZ 4Å; F336-F382 HydrophobicContact CD1-CB 3.98Å; F336-F382 HydrophobicContact CD1-CD2 4.07Å; F336-F382 HydrophobicContact CD1-CG 4.09Å; F336-F382 AromaticContact CD2-CD2 3.78Å; F336-F382 HydrophobicContact CD2-CD2 3.78Å; F336-F382 AromaticContact CD2-CE2 3.81Å; F336-F382 HydrophobicContact CD2-CE2 3.81Å; F336-F382 HydrophobicContact CD2-CG 4.38Å; F336-F382 HydrophobicContact CD2-CZ 4.44Å; F336-F382 HydrophobicContact CE2-CD2 4.44Å; F336-F382 HydrophobicContact CG-CB 4.13Å; F336-F382 HydrophobicContact CG-CD1 4.28Å; F336-F382 AromaticContact CG-CD2 3.57Å; F336-F382 HydrophobicContact CG-CD2 3.57Å; F336-F382 AromaticContact CG-CE2 3.98Å; F336-F382 HydrophobicContact CG-CE2 3.98Å; F336-F382 AromaticContact CG-CG 3.73Å; F336-F382 HydrophobicContact CG-CG 3.73Å; F336-F382 HydrophobicContact CG-CZ 4.49Å; F336-L391 HydrophobicContact CD1-CD2 4.25Å; F336-L391 HydrophobicContact CE1-CD1 4.45Å; F336-L391 HydrophobicContact CE1-CD2 3.85Å; F336-L391 HydrophobicContact CZ-CD1 4.04Å; F336-L391 HydrophobicContact CZ-CD2 4.15Å; F336-F412 HydrophobicContact CE2-CE2 4.03Å; F336-F412 HydrophobicContact CE2-CZ 4.28Å; F336-F412 HydrophobicContact CZ-CE2 4.34Å
337	Q	95.2	Very high	95.9	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.439	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.3	174.9	-69.1	-178.8	-4.9	0	0	110.6	E341 W342	Q337-E341 VanDerWaalsContact CA-O 3.3Å; Q337-E341 WeakPolarHBondContact CA-O 3.46Å; Q337-W342 HydrophobicContact CG-CD2 3.74Å; Q337-W342 HydrophobicContact CG-CE3 3.73Å; Q337-W342 HydrophobicContact CG-CG 4.31Å; Q337-W342 HydrophobicContact CG-CH2 4.22Å; Q337-W342 HydrophobicContact CG-CZ2 4.25Å; Q337-W342 HydrophobicContact CG-CZ3 3.96Å
338	L	94.4	Very high	96	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124.5	172.6	-65.9	164.3	0	0	0	108.2	F336 D340 E341 Y343 F382 Q389 W405 F412	F336-L338 HydrophobicContact CD2-CD1 4.04Å; F336-L338 HydrophobicContact CD2-CG 4.07Å; F336-L338 HydrophobicContact CE2-CD1 3.76Å; F336-L338 HydrophobicContact CE2-CG 4.31Å; L338-D340 VanDerWaalsContact C-N 3.25Å; L338-D340 PolarHBondContact O-N 2.79Å; L338-E341 PolarHBondContact N-O 3.24Å; L338-E341 PolarHBondContact O-N 3.21Å; L338-Y343 HydrophobicContact CB-CD2 4Å; L338-Y343 HydrophobicContact CB-CE2 3.67Å; L338-Y343 HydrophobicContact CD1-CD2 4.06Å; L338-Y343 HydrophobicContact CD1-CE2 4.13Å; L338-Y343 HydrophobicContact CD1-CG 4.41Å; L338-Y343 HydrophobicContact CG-CD2 4.25Å; L338-Y343 HydrophobicContact CG-CE2 4.33Å; L338-F382 HydrophobicContact CD2-CE2 3.96Å; L338-F382 HydrophobicContact CD2-CZ 4.14Å; L338-Q389 HydrophobicContact CD2-CB 3.54Å; L338-Q389 HydrophobicContact CD2-CG 3.59Å; L338-W405 HydrophobicContact CB-CZ2 4.37Å; L338-W405 HydrophobicContact CD1-CD2 3.84Å; L338-W405 HydrophobicContact CD1-CE3 3.74Å; L338-W405 HydrophobicContact CD1-CG 4.49Å; L338-W405 HydrophobicContact CD1-CH2 3.89Å; L338-W405 HydrophobicContact CD1-CZ2 4.03Å; L338-W405 HydrophobicContact CD1-CZ3 3.76Å; L338-W405 HydrophobicContact CD2-CB 4.48Å; L338-W405 HydrophobicContact CD2-CD2 4.29Å; L338-W405 HydrophobicContact CD2-CG 4.11Å; L338-F412 HydrophobicContact CD1-CE2 3.69Å; L338-F412 HydrophobicContact CD1-CZ 3.8Å; L338-F412 HydrophobicContact CD2-CZ 4.44Å
339	D	88.6	Confident	96.1	Very high	60 Å²	60	34.4 Å²	34.4	32%	0.321	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	46.7	177.2	-52.5	-47.4	0	0	0	112	E341 W405	D339-E341 PolarHBondContact O-N 3.05Å; D339-W405 PolarHBondContact OD2-NE1 3.27Å
340	D	87.4	Confident	96.1	Very high	157 Å²	157	29.5 Å²	29.5	84%	0.84	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	11.1	-176.7	-54.7	-44.6	0	0	0	116.2	L338	L338-D340 VanDerWaalsContact C-N 3.25Å; L338-D340 PolarHBondContact O-N 2.79Å
341	E	92.9	Very high	96	Very high	45 Å²	45	35.2 Å²	35.2	21%	0.21	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.4	173.5	-63.5	-170.9	108.7	0	0	111.2	Q337 L338 D339 Y343 R359 R410	Q337-E341 VanDerWaalsContact CA-O 3.3Å; Q337-E341 WeakPolarHBondContact CA-O 3.46Å; L338-E341 PolarHBondContact N-O 3.24Å; L338-E341 PolarHBondContact O-N 3.21Å; D339-E341 PolarHBondContact O-N 3.05Å; E341-Y343 HydrophobicContact CB-CD2 4.47Å; E341-Y343 HydrophobicContact CB-CE2 3.63Å; E341-Y343 WeakPolarHBondContact O-CD2 3.2Å; E341-Y343 WeakPolarHBondContact O-CE2 3.06Å; E341-Y343 PolarHBondContact OE2-OH 3.16Å; E341-R359 IonicContact OE1-CZ 2.94Å; E341-R359 IonicContact OE1-NE 3.22Å; E341-R359 PolarHBondContact OE1-NE 2.73Å; E341-R359 IonicContact OE1-NH2 3.1Å; E341-R359 PolarHBondContact OE1-NH2 2.78Å; E341-R359 IonicContact OE2-CZ 3.13Å; E341-R359 IonicContact OE2-NE 3.42Å; E341-R359 PolarHBondContact OE2-NE 3.4Å; E341-R359 IonicContact OE2-NH2 3.77Å; E341-R410 IonicContact OE2-CZ 3.43Å; E341-R410 IonicContact OE2-NH1 2.8Å; E341-R410 IonicContact OE2-NH2 3.87Å
342	W	96.3	Very high	95.9	Very high	60 Å²	60	34.3 Å²	34.3	23%	0.227	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.9	176.7	-81.1	100.1	0	0	0	112	V287 V288 I289 Q337 W360 F365	V287-W342 HydrophobicContact CG1-CD2 4.38Å; V287-W342 HydrophobicContact CG1-CE3 4.05Å; V287-W342 HydrophobicContact CG1-CZ3 4.19Å; V288-W342 WeakPolarHBondContact O-CZ2 3.38Å; I289-W342 HydrophobicContact CD1-CB 3.89Å; I289-W342 HydrophobicContact CD1-CD2 4.37Å; I289-W342 HydrophobicContact CD1-CG 3.78Å; I289-W342 HydrophobicContact CG1-CD2 4.19Å; I289-W342 HydrophobicContact CG1-CG 3.95Å; Q337-W342 HydrophobicContact CG-CD2 3.74Å; Q337-W342 HydrophobicContact CG-CE3 3.73Å; Q337-W342 HydrophobicContact CG-CG 4.31Å; Q337-W342 HydrophobicContact CG-CH2 4.22Å; Q337-W342 HydrophobicContact CG-CZ2 4.25Å; Q337-W342 HydrophobicContact CG-CZ3 3.96Å; W342-W360 HydrophobicContact CB-CB 3.72Å; W342-W360 HydrophobicContact CB-CG 4.35Å; W342-W360 VanDerWaalsContact O-CB 3.32Å; W342-W360 WeakPolarHBondContact O-CB 2.89Å; W342-W360 PolarHBondContact O-N 3.46Å; W342-F365 HydrophobicContact CB-CE1 4.38Å
343	Y	97.7	Very high	95.7	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.8	174	-62.9	-101.8	0	0	0	110.3	T335 F336 L338 E341 I357 Y358 R359	T335-Y343 WeakPolarHBondContact CA-O 3.47Å; F336-Y343 HydrophobicContact CD2-CG 4.47Å; F336-Y343 HydrophobicContact CE2-CG 4.01Å; F336-Y343 PolarHBondContact N-O 2.88Å; F336-Y343 PolarHBondContact O-N 3.27Å; F336-Y343 VanDerWaalsContact O-O 3.06Å; L338-Y343 HydrophobicContact CB-CD2 4Å; L338-Y343 HydrophobicContact CB-CE2 3.67Å; L338-Y343 HydrophobicContact CD1-CD2 4.06Å; L338-Y343 HydrophobicContact CD1-CE2 4.13Å; L338-Y343 HydrophobicContact CD1-CG 4.41Å; L338-Y343 HydrophobicContact CG-CD2 4.25Å; L338-Y343 HydrophobicContact CG-CE2 4.33Å; E341-Y343 HydrophobicContact CB-CD2 4.47Å; E341-Y343 HydrophobicContact CB-CE2 3.63Å; E341-Y343 WeakPolarHBondContact O-CD2 3.2Å; E341-Y343 WeakPolarHBondContact O-CE2 3.06Å; E341-Y343 PolarHBondContact OE2-OH 3.16Å; Y343-I357 HydrophobicContact CD1-CG2 3.9Å; Y343-Y358 WeakPolarHBondContact CA-O 3.26Å; Y343-Y358 WeakPolarHBondContact CB-O 3.23Å; Y343-R359 HydrophobicContact CD1-CB 3.73Å; Y343-R359 HydrophobicContact CD1-CG 4.1Å; Y343-R359 HydrophobicContact CE1-CB 3.49Å; Y343-R359 VanDerWaalsContact CE1-CB 3.49Å; Y343-R359 HydrophobicContact CE1-CG 3.52Å; Y343-R359 HydrophobicContact CE2-CG 4.5Å; Y343-R359 WeakPolarHBondContact OH-CD 3.41Å
344	F	97.6	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.6	159.3	71.1	-102.9	0	0	0	110.7	V296 I306 I322 V333 E334 T335 V346 I357 Y358 F365	V296-F344 HydrophobicContact CG1-CD2 4.44Å; V296-F344 HydrophobicContact CG1-CE2 4.14Å; V296-F344 HydrophobicContact CG1-CZ 4.24Å; V296-F344 HydrophobicContact CG2-CD1 4Å; V296-F344 HydrophobicContact CG2-CE1 3.93Å; V296-F344 HydrophobicContact CG2-CG 4.43Å; V296-F344 HydrophobicContact CG2-CZ 4.36Å; I306-F344 HydrophobicContact CD1-CE1 3.89Å; I306-F344 HydrophobicContact CD1-CZ 3.95Å; I322-F344 HydrophobicContact CD1-CE2 4.34Å; I322-F344 HydrophobicContact CD1-CZ 4.21Å; V333-F344 HydrophobicContact CG1-CB 4.47Å; V333-F344 HydrophobicContact CG1-CD2 4.27Å; E334-F344 CarbonylContact O-C 3.57Å; E334-F344 WeakPolarHBondContact O-CA 3.22Å; E334-F344 WeakPolarHBondContact O-CB 3.31Å; T335-F344 HydrophobicContact CG2-CB 3.82Å; F344-V346 HydrophobicContact CD2-CG2 3.77Å; F344-V346 HydrophobicContact CE2-CG2 3.55Å; F344-I357 CarbonylContact O-C 3.59Å; F344-I357 WeakPolarHBondContact O-CA 3.39Å; F344-Y358 AromaticContact CD2-CD2 3.98Å; F344-Y358 HydrophobicContact CD2-CD2 3.98Å; F344-Y358 HydrophobicContact CD2-CG 4.46Å; F344-Y358 HydrophobicContact CE1-CG 4.26Å; F344-Y358 AromaticContact CE2-CD2 3.27Å; F344-Y358 HydrophobicContact CE2-CD2 3.27Å; F344-Y358 HydrophobicContact CE2-CE2 4.01Å; F344-Y358 AromaticContact CE2-CG 3.68Å; F344-Y358 HydrophobicContact CE2-CG 3.68Å; F344-Y358 HydrophobicContact CZ-CD1 4.25Å; F344-Y358 AromaticContact CZ-CD2 3.67Å; F344-Y358 HydrophobicContact CZ-CD2 3.67Å; F344-Y358 HydrophobicContact CZ-CE2 4.48Å; F344-Y358 AromaticContact CZ-CG 3.55Å; F344-Y358 HydrophobicContact CZ-CG 3.55Å; F344-Y358 PolarHBondContact N-O 3.06Å; F344-Y358 PolarHBondContact O-N 3.26Å; F344-F365 HydrophobicContact CD1-CB 4.3Å; F344-F365 AromaticContact CD1-CD1 3.47Å; F344-F365 HydrophobicContact CD1-CD1 3.47Å; F344-F365 VanDerWaalsContact CD1-CD1 3.47Å; F344-F365 HydrophobicContact CD1-CD2 4.22Å; F344-F365 AromaticContact CD1-CE1 3.63Å; F344-F365 HydrophobicContact CD1-CE1 3.63Å; F344-F365 HydrophobicContact CD1-CE2 4.34Å; F344-F365 AromaticContact CD1-CG 3.78Å; F344-F365 HydrophobicContact CD1-CG 3.78Å; F344-F365 HydrophobicContact CD1-CZ 4.05Å; F344-F365 HydrophobicContact CE1-CB 3.46Å; F344-F365 VanDerWaalsContact CE1-CB 3.46Å; F344-F365 AromaticContact CE1-CD1 3.53Å; F344-F365 HydrophobicContact CE1-CD1 3.53Å; F344-F365 AromaticContact CE1-CD2 3.8Å; F344-F365 HydrophobicContact CE1-CD2 3.8Å; F344-F365 HydrophobicContact CE1-CE1 4.1Å; F344-F365 HydrophobicContact CE1-CE2 4.33Å; F344-F365 AromaticContact CE1-CG 3.35Å; F344-F365 HydrophobicContact CE1-CG 3.35Å; F344-F365 HydrophobicContact CE1-CZ 4.44Å; F344-F365 HydrophobicContact CZ-CB 4.18Å; F344-F365 HydrophobicContact CZ-CG 4.47Å
345	A	98.3	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.6	172.9	0	0	0	0	0	110	V333 E334 F336 S356 I357 V380	V333-A345 WeakPolarHBondContact CA-O 3.31Å; E334-A345 PolarHBondContact N-O 3.47Å; E334-A345 PolarHBondContact O-N 2.82Å; F336-A345 HydrophobicContact CE1-CB 3.86Å; F336-A345 HydrophobicContact CZ-CB 4.36Å; A345-S356 WeakPolarHBondContact CA-O 3.16Å; A345-I357 HydrophobicContact CB-CG1 4.2Å; A345-V380 HydrophobicContact CB-CG1 3.97Å; A345-V380 HydrophobicContact CB-CG2 4.38Å
346	V	98.4	Very high	95.6	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.9	172.9	-172.3	0	0	0	0	108.6	V327 P330 V333 F344 T355 S356 Y358	V327-V346 HydrophobicContact CG1-CB 4.46Å; V327-V346 HydrophobicContact CG1-CG1 3.75Å; V327-V346 HydrophobicContact CG2-CB 4.29Å; V327-V346 HydrophobicContact CG2-CG1 4.44Å; P330-V346 HydrophobicContact CB-CG1 3.54Å; V333-V346 HydrophobicContact CG2-CG1 4.38Å; V333-V346 HydrophobicContact CG2-CG2 4.32Å; F344-V346 HydrophobicContact CD2-CG2 3.77Å; F344-V346 HydrophobicContact CE2-CG2 3.55Å; V346-T355 VanDerWaalsContact O-CA 3.26Å; V346-T355 WeakPolarHBondContact O-CA 3.25Å; V346-S356 PolarHBondContact N-O 2.96Å; V346-S356 PolarHBondContact O-N 2.74Å; V346-S356 VanDerWaalsContact O-N 3.1Å; V346-Y358 HydrophobicContact CG2-CE2 4.39Å
347	A	98.1	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.9	173.2	0	0	0	0	0	109.6	P330 N331 F332 D377 V380	P330-A347 CarbonylContact C-O 3.35Å; P330-A347 VanDerWaalsContact CA-O 3.31Å; P330-A347 WeakPolarHBondContact CA-O 3.3Å; N331-A347 PolarHBondContact N-O 3.29Å; F332-A347 HydrophobicContact CB-CB 4.1Å; F332-A347 PolarHBondContact O-N 3.04Å; A347-D377 HydrophobicContact CB-CB 4.41Å; A347-V380 HydrophobicContact CB-CG2 3.69Å
348	D	97.8	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.2	178.2	-161.5	-69.8	0	0	0	112.1	V327 R328 K329 S350 T355 D377	V327-D348 WeakPolarHBondContact CA-OD2 3.36Å; R328-D348 PolarHBondContact N-OD2 2.97Å; K329-D348 PolarHBondContact N-OD1 2.99Å; K329-D348 PolarHBondContact N-OD2 3.13Å; D348-S350 VanDerWaalsContact C-N 3.29Å; D348-S350 PolarHBondContact O-N 2.96Å; D348-S350 WeakPolarHBondContact OD1-CA 3.45Å; D348-S350 VanDerWaalsContact OD1-CB 3.22Å; D348-S350 WeakPolarHBondContact OD1-CB 3.3Å; D348-S350 PolarHBondContact OD1-N 3.42Å; D348-S350 PolarHBondContact OD1-OG 2.92Å; D348-T355 PolarHBondContact N-OG1 3.48Å; D348-D377 CarbonylContact C-O 3.52Å; D348-D377 VanDerWaalsContact C-O 3.27Å; D348-D377 PolarHBondContact O-N 3.06Å
349	S	96.8	Very high	95.9	Very high	33 Å²	33	30.9 Å²	30.9	23%	0.231	16%	0.161	C	C	.	.			trans	-84.9	1.4	-177.3	63.9	0	0	0	0	113.8	K329 R376 D377	K329-S349 WeakPolarHBondContact CB-OG 3.34Å; K329-S349 PolarHBondContact O-N 2.62Å; K329-S349 PolarHBondContact O-OG 2.85Å; S349-R376 WeakPolarHBondContact O-CB 3.35Å; S349-R376 VanDerWaalsContact O-CG 3.26Å; S349-R376 WeakPolarHBondContact O-CG 3.4Å; S349-D377 WeakPolarHBondContact CA-O 3.25Å; S349-D377 PolarHBondContact N-O 3.24Å
350	S	96.4	Very high	96.2	Very high	15 Å²	15	29.5 Å²	29.5	11%	0.105	15%	0.152	C	C	.	.	S	Bend	trans	-102	143.5	178.2	79.4	0	0	0	0	112.4	D348 A352 G353 H375	D348-S350 VanDerWaalsContact C-N 3.29Å; D348-S350 PolarHBondContact O-N 2.96Å; D348-S350 WeakPolarHBondContact OD1-CA 3.45Å; D348-S350 VanDerWaalsContact OD1-CB 3.22Å; D348-S350 WeakPolarHBondContact OD1-CB 3.3Å; D348-S350 PolarHBondContact OD1-N 3.42Å; D348-S350 PolarHBondContact OD1-OG 2.92Å; S350-A352 PolarHBondContact O-N 3.12Å; S350-G353 PolarHBondContact O-N 2.5Å; S350-G353 PolarHBondContact OG-N 3.46Å; S350-H375 CarbonylContact C-O 3.52Å
351	K	95	Very high	96.3	Very high	122 Å²	122	26.2 Å²	26.2	53%	0.53	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.2	174.8	-65.6	-168.3	171.5	-171	0	113.9	W374 R376	K351-W374 WeakPolarHBondContact O-CA 3.27Å; K351-R376 HydrophobicContact CG-CG 3.93Å
352	A	94.4	Very high	95.9	Very high	53 Å²	53	28.6 Å²	28.6	44%	0.438	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-16.2	-178.2	0	0	0	0	0	112.6	R328 S350	R328-A352 PolarHBondContact NE-O 3.2Å; S350-A352 PolarHBondContact O-N 3.12Å
353	G	94.1	Very high	95.4	Very high	6 Å²	6	30.6 Å²	30.6	6%	0.062	17%	0.171	C	C	.	.	S	Bend	trans	-93.9	-178.1	166.8	0	0	0	0	0	111	R326 S350	R326-G353 CarbonylContact O-C 3.52Å; R326-G353 WeakPolarHBondContact O-CA 3.49Å; S350-G353 PolarHBondContact O-N 2.5Å; S350-G353 PolarHBondContact OG-N 3.46Å
354	S	95.8	Very high	95.1	Very high	18 Å²	18	30.6 Å²	30.6	13%	0.126	17%	0.171	C	C	.	.			trans	-148.4	143.6	174	57.6	0	0	0	0	109.5	R326 S356 S370	R326-S354 PolarHBondContact O-N 3.12Å; S354-S356 PolarHBondContact O-N 2.82Å; S354-S356 VanDerWaalsContact O-N 3.13Å; S354-S356 PolarHBondContact O-OG 2.88Å; S354-S370 WeakPolarHBondContact OG-CB 3.46Å
355	T	97.9	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	121.1	173	-70.2	0	0	0	0	109.3	V346 D348 S370 L371 D377 V380 L393	V346-T355 VanDerWaalsContact O-CA 3.26Å; V346-T355 WeakPolarHBondContact O-CA 3.25Å; D348-T355 PolarHBondContact N-OG1 3.48Å; T355-S370 CarbonylContact O-C 3.53Å; T355-S370 WeakPolarHBondContact O-CA 2.93Å; T355-L371 PolarHBondContact N-O 3.19Å; T355-L371 PolarHBondContact O-N 3.11Å; T355-D377 WeakPolarHBondContact CB-OD2 3.35Å; T355-D377 VanDerWaalsContact OG1-CB 3.24Å; T355-D377 WeakPolarHBondContact OG1-CB 3.11Å; T355-D377 VanDerWaalsContact OG1-CG 3.32Å; T355-D377 PolarHBondContact OG1-OD2 2.84Å; T355-V380 HydrophobicContact CG2-CG2 3.8Å; T355-L393 HydrophobicContact CG2-CD1 4.21Å; T355-L393 HydrophobicContact CG2-CD2 3.98Å
356	S	97.9	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.6	-168.1	-65.4	0	0	0	0	111.3	A345 V346 S354 S370	A345-S356 WeakPolarHBondContact CA-O 3.16Å; V346-S356 PolarHBondContact N-O 2.96Å; V346-S356 PolarHBondContact O-N 2.74Å; V346-S356 VanDerWaalsContact O-N 3.1Å; S354-S356 PolarHBondContact O-N 2.82Å; S354-S356 VanDerWaalsContact O-N 3.13Å; S354-S356 PolarHBondContact O-OG 2.88Å; S356-S370 PolarHBondContact OG-OG 2.97Å
357	I	98.1	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.2	177.8	-58.5	176.9	0	0	0	108.4	F336 Y343 F344 A345 H368 Q369 L371 L391 F412	F336-I357 HydrophobicContact CZ-CG2 4.24Å; Y343-I357 HydrophobicContact CD1-CG2 3.9Å; F344-I357 CarbonylContact O-C 3.59Å; F344-I357 WeakPolarHBondContact O-CA 3.39Å; A345-I357 HydrophobicContact CB-CG1 4.2Å; I357-H368 HydrophobicContact CG2-CB 4.28Å; I357-H368 WeakPolarHBondContact O-CB 3.38Å; I357-H368 PolarHBondContact O-N 3.1Å; I357-Q369 HydrophobicContact CB-CB 4.37Å; I357-Q369 HydrophobicContact CD1-CB 4.45Å; I357-Q369 PolarHBondContact N-O 3.07Å; I357-Q369 PolarHBondContact O-N 3.08Å; I357-L371 HydrophobicContact CD1-CD1 3.74Å; I357-L371 HydrophobicContact CD1-CG 4.19Å; I357-L371 HydrophobicContact CG1-CD1 4.37Å; I357-L391 HydrophobicContact CD1-CD1 3.68Å; I357-F412 HydrophobicContact CD1-CD2 3.46Å; I357-F412 VanDerWaalsContact CD1-CD2 3.46Å; I357-F412 HydrophobicContact CD1-CE2 3.95Å; I357-F412 HydrophobicContact CD1-CG 4.36Å
358	Y	97.4	Very high	94.4	Very high	5 Å²	5	40 Å²	40	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.3	175.3	-63.3	-101.9	0	0	0	109.6	I322 V327 Y343 F344 V346 Y366	I322-Y358 HydrophobicContact CG2-CE1 4.36Å; I322-Y358 HydrophobicContact CG2-CE2 4.22Å; I322-Y358 WeakPolarHBondContact CG2-OH 3.33Å; V327-Y358 HydrophobicContact CG2-CE2 4.36Å; Y343-Y358 WeakPolarHBondContact CA-O 3.26Å; Y343-Y358 WeakPolarHBondContact CB-O 3.23Å; F344-Y358 AromaticContact CD2-CD2 3.98Å; F344-Y358 HydrophobicContact CD2-CD2 3.98Å; F344-Y358 HydrophobicContact CD2-CG 4.46Å; F344-Y358 HydrophobicContact CE1-CG 4.26Å; F344-Y358 AromaticContact CE2-CD2 3.27Å; F344-Y358 HydrophobicContact CE2-CD2 3.27Å; F344-Y358 HydrophobicContact CE2-CE2 4.01Å; F344-Y358 AromaticContact CE2-CG 3.68Å; F344-Y358 HydrophobicContact CE2-CG 3.68Å; F344-Y358 HydrophobicContact CZ-CD1 4.25Å; F344-Y358 AromaticContact CZ-CD2 3.67Å; F344-Y358 HydrophobicContact CZ-CD2 3.67Å; F344-Y358 HydrophobicContact CZ-CE2 4.48Å; F344-Y358 AromaticContact CZ-CG 3.55Å; F344-Y358 HydrophobicContact CZ-CG 3.55Å; F344-Y358 PolarHBondContact N-O 3.06Å; F344-Y358 PolarHBondContact O-N 3.26Å; V346-Y358 HydrophobicContact CG2-CE2 4.39Å; Y358-Y366 CarbonylContact C-O 3.47Å; Y358-Y366 VanDerWaalsContact CA-O 3.22Å; Y358-Y366 WeakPolarHBondContact CA-O 3.1Å
359	R	96.4	Very high	94.4	Very high	72 Å²	72	41.3 Å²	41.3	27%	0.272	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.6	-179.4	177.4	179.4	158.4	-151	-8.8	110	E341 Y343 F365 Y366 H368	E341-R359 IonicContact OE1-CZ 2.94Å; E341-R359 IonicContact OE1-NE 3.22Å; E341-R359 PolarHBondContact OE1-NE 2.73Å; E341-R359 IonicContact OE1-NH2 3.1Å; E341-R359 PolarHBondContact OE1-NH2 2.78Å; E341-R359 IonicContact OE2-CZ 3.13Å; E341-R359 IonicContact OE2-NE 3.42Å; E341-R359 PolarHBondContact OE2-NE 3.4Å; E341-R359 IonicContact OE2-NH2 3.77Å; Y343-R359 HydrophobicContact CD1-CB 3.73Å; Y343-R359 HydrophobicContact CD1-CG 4.1Å; Y343-R359 HydrophobicContact CE1-CB 3.49Å; Y343-R359 VanDerWaalsContact CE1-CB 3.49Å; Y343-R359 HydrophobicContact CE1-CG 3.52Å; Y343-R359 HydrophobicContact CE2-CG 4.5Å; Y343-R359 WeakPolarHBondContact OH-CD 3.41Å; R359-F365 CarbonylContact O-C 3.54Å; R359-F365 WeakPolarHBondContact O-CA 3.01Å; R359-Y366 PolarHBondContact N-O 2.93Å; R359-Y366 PolarHBondContact O-N 3.1Å; R359-H368 HydrophobicContact CB-CB 3.96Å
360	W	94.8	Very high	94.4	Very high	31 Å²	31	41.8 Å²	41.8	12%	0.117	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.6	171.9	-179.6	-108.2	0	0	0	111	I289 Y294 W342 S362 F365	I289-W360 HydrophobicContact CD1-CB 4.46Å; I289-W360 HydrophobicContact CD1-CD2 3.66Å; I289-W360 HydrophobicContact CD1-CE3 3.77Å; I289-W360 HydrophobicContact CD1-CG 3.97Å; I289-W360 HydrophobicContact CD1-CZ3 4.3Å; Y294-W360 HydrophobicContact CD1-CH2 4.49Å; Y294-W360 HydrophobicContact CD1-CZ3 4.37Å; Y294-W360 AromaticContact CE1-CH2 3.67Å; Y294-W360 HydrophobicContact CE1-CH2 3.67Å; Y294-W360 AromaticContact CE1-CZ3 3.96Å; Y294-W360 HydrophobicContact CE1-CZ3 3.96Å; Y294-W360 AromaticContact CE2-CH2 3.93Å; Y294-W360 HydrophobicContact CE2-CH2 3.93Å; Y294-W360 HydrophobicContact CE2-CZ2 4.47Å; Y294-W360 HydrophobicContact CE2-CZ3 4.39Å; Y294-W360 AromaticContact CZ-CH2 3.35Å; Y294-W360 AromaticContact CZ-CZ3 3.99Å; Y294-W360 VanDerWaalsContact OH-CH2 3.28Å; Y294-W360 WeakPolarHBondContact OH-CH2 3.4Å; W342-W360 HydrophobicContact CB-CB 3.72Å; W342-W360 HydrophobicContact CB-CG 4.35Å; W342-W360 VanDerWaalsContact O-CB 3.32Å; W342-W360 WeakPolarHBondContact O-CB 2.89Å; W342-W360 PolarHBondContact O-N 3.46Å; W360-S362 WeakPolarHBondContact CZ2-O 3.34Å; W360-F365 HydrophobicContact CB-CD1 4.05Å; W360-F365 HydrophobicContact CB-CE1 3.8Å; W360-F365 HydrophobicContact CB-CZ 4.35Å; W360-F365 HydrophobicContact CD2-CZ 4.48Å; W360-F365 HydrophobicContact CE3-CD1 4.21Å; W360-F365 AromaticContact CE3-CD2 3.51Å; W360-F365 HydrophobicContact CE3-CD2 3.51Å; W360-F365 HydrophobicContact CE3-CE1 4.11Å; W360-F365 AromaticContact CE3-CE2 3.39Å; W360-F365 HydrophobicContact CE3-CE2 3.39Å; W360-F365 AromaticContact CE3-CG 3.94Å; W360-F365 HydrophobicContact CE3-CG 3.94Å; W360-F365 AromaticContact CE3-CZ 3.73Å; W360-F365 HydrophobicContact CE3-CZ 3.73Å; W360-F365 AromaticContact CZ3-CD2 3.81Å; W360-F365 HydrophobicContact CZ3-CD2 3.81Å; W360-F365 AromaticContact CZ3-CE2 3.74Å; W360-F365 HydrophobicContact CZ3-CE2 3.74Å; W360-F365 HydrophobicContact CZ3-CZ 4.46Å
361	N	90	Very high	94.5	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	22%	0.223	S	C	.	.			trans	-138.8	81.1	173.8	-179	11.1	0	0	0	110.3	N363 G364 Y366	N361-N363 PolarHBondContact O-N 2.85Å; N361-N363 PolarHBondContact O-OD1 3.01Å; N361-G364 PolarHBondContact N-O 2.94Å; N361-Y366 HydrophobicContact CB-CD2 3.79Å; N361-Y366 HydrophobicContact CB-CE2 4Å
362	S	84.5	Confident	94.5	Very high	95 Å²	95	36.2 Å²	36.2	66%	0.664	20%	0.201	S	C	*	.	S	Bend	trans	58.1	-43	172.5	69.5	0	0	0	0	118.4	W360	W360-S362 WeakPolarHBondContact CZ2-O 3.34Å
363	N	86.5	Confident	94.6	Very high	102 Å²	102	37.3 Å²	37.3	55%	0.545	20%	0.203	S	C	.	.	S	Bend	trans	-121.5	-11.5	-175.5	65.2	-2.9	0	0	0	113.7	N361 Y366	N361-N363 PolarHBondContact O-N 2.85Å; N361-N363 PolarHBondContact O-OD1 3.01Å; N363-Y366 PolarHBondContact ND2-OH 3.15Å; N363-Y366 WeakPolarHBondContact OD1-CE2 3.45Å; N363-Y366 PolarHBondContact OD1-OH 2.97Å
364	G	91.2	Very high	94.7	Very high	1 Å²	1	46 Å²	46	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-178.3	-174.9	-176.5	0	0	0	0	0	113.2	N361	N361-G364 PolarHBondContact N-O 2.94Å
365	F	94.1	Very high	94.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.7	-178.4	-77.2	-87.4	0	0	0	111.3	V287 I289 I306 Q320 W342 F344 R359 W360	V287-F365 HydrophobicContact CG1-CZ 4.34Å; I289-F365 HydrophobicContact CD1-CE1 4.48Å; I289-F365 HydrophobicContact CD1-CE2 4.13Å; I289-F365 HydrophobicContact CD1-CZ 3.63Å; I306-F365 HydrophobicContact CD1-CB 3.71Å; I306-F365 HydrophobicContact CD1-CD2 3.94Å; I306-F365 HydrophobicContact CD1-CG 4.23Å; Q320-F365 VanDerWaalsContact CD-O 3.29Å; Q320-F365 PolarHBondContact NE2-O 3.3Å; Q320-F365 PolarHBondContact OE1-O 3.29Å; W342-F365 HydrophobicContact CB-CE1 4.38Å; F344-F365 HydrophobicContact CD1-CB 4.3Å; F344-F365 AromaticContact CD1-CD1 3.47Å; F344-F365 HydrophobicContact CD1-CD1 3.47Å; F344-F365 VanDerWaalsContact CD1-CD1 3.47Å; F344-F365 HydrophobicContact CD1-CD2 4.22Å; F344-F365 AromaticContact CD1-CE1 3.63Å; F344-F365 HydrophobicContact CD1-CE1 3.63Å; F344-F365 HydrophobicContact CD1-CE2 4.34Å; F344-F365 AromaticContact CD1-CG 3.78Å; F344-F365 HydrophobicContact CD1-CG 3.78Å; F344-F365 HydrophobicContact CD1-CZ 4.05Å; F344-F365 HydrophobicContact CE1-CB 3.46Å; F344-F365 VanDerWaalsContact CE1-CB 3.46Å; F344-F365 AromaticContact CE1-CD1 3.53Å; F344-F365 HydrophobicContact CE1-CD1 3.53Å; F344-F365 AromaticContact CE1-CD2 3.8Å; F344-F365 HydrophobicContact CE1-CD2 3.8Å; F344-F365 HydrophobicContact CE1-CE1 4.1Å; F344-F365 HydrophobicContact CE1-CE2 4.33Å; F344-F365 AromaticContact CE1-CG 3.35Å; F344-F365 HydrophobicContact CE1-CG 3.35Å; F344-F365 HydrophobicContact CE1-CZ 4.44Å; F344-F365 HydrophobicContact CZ-CB 4.18Å; F344-F365 HydrophobicContact CZ-CG 4.47Å; R359-F365 CarbonylContact O-C 3.54Å; R359-F365 WeakPolarHBondContact O-CA 3.01Å; W360-F365 HydrophobicContact CB-CD1 4.05Å; W360-F365 HydrophobicContact CB-CE1 3.8Å; W360-F365 HydrophobicContact CB-CZ 4.35Å; W360-F365 HydrophobicContact CD2-CZ 4.48Å; W360-F365 HydrophobicContact CE3-CD1 4.21Å; W360-F365 AromaticContact CE3-CD2 3.51Å; W360-F365 HydrophobicContact CE3-CD2 3.51Å; W360-F365 HydrophobicContact CE3-CE1 4.11Å; W360-F365 AromaticContact CE3-CE2 3.39Å; W360-F365 HydrophobicContact CE3-CE2 3.39Å; W360-F365 AromaticContact CE3-CG 3.94Å; W360-F365 HydrophobicContact CE3-CG 3.94Å; W360-F365 AromaticContact CE3-CZ 3.73Å; W360-F365 HydrophobicContact CE3-CZ 3.73Å; W360-F365 AromaticContact CZ3-CD2 3.81Å; W360-F365 HydrophobicContact CZ3-CD2 3.81Å; W360-F365 AromaticContact CZ3-CE2 3.74Å; W360-F365 HydrophobicContact CZ3-CE2 3.74Å; W360-F365 HydrophobicContact CZ3-CZ 4.46Å
366	Y	93.8	Very high	94.6	Very high	105 Å²	105	54.4 Å²	54.4	41%	0.412	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147	-174.8	-61.5	-87.9	0	0	0	111.5	Y358 R359 N361 N363 H368	Y358-Y366 CarbonylContact C-O 3.47Å; Y358-Y366 VanDerWaalsContact CA-O 3.22Å; Y358-Y366 WeakPolarHBondContact CA-O 3.1Å; R359-Y366 PolarHBondContact N-O 2.93Å; R359-Y366 PolarHBondContact O-N 3.1Å; N361-Y366 HydrophobicContact CB-CD2 3.79Å; N361-Y366 HydrophobicContact CB-CE2 4Å; N363-Y366 PolarHBondContact ND2-OH 3.15Å; N363-Y366 WeakPolarHBondContact OD1-CE2 3.45Å; N363-Y366 PolarHBondContact OD1-OH 2.97Å; Y366-H368 PolarHBondContact O-N 3.35Å
367	S	94.3	Very high	94.6	Very high	52 Å²	52	54.4 Å²	54.4	36%	0.364	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	125.4	178	173.5	0	0	0	0	110.3
368	H	96.3	Very high	94.6	Very high	42 Å²	42	55.1 Å²	55.1	19%	0.194	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-47.2	-178.1	-177.3	73.9	0	0	0	111.6	I357 R359 Y366 W405 R410	I357-H368 HydrophobicContact CG2-CB 4.28Å; I357-H368 WeakPolarHBondContact O-CB 3.38Å; I357-H368 PolarHBondContact O-N 3.1Å; R359-H368 HydrophobicContact CB-CB 3.96Å; Y366-H368 PolarHBondContact O-N 3.35Å; H368-W405 AromaticContact NE2-CH2 3.75Å; H368-W405 AromaticContact NE2-CZ3 3.99Å; H368-R410 PolarHBondContact CE1-O 3.38Å; H368-R410 PolarHBondContact NE2-O 3.24Å
369	Q	97.1	Very high	94.6	Very high	27 Å²	27	55 Å²	55	13%	0.126	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	143.7	-177.6	-173.6	175.7	11.3	0	0	111.5	I357 L371 F412	I357-Q369 HydrophobicContact CB-CB 4.37Å; I357-Q369 HydrophobicContact CD1-CB 4.45Å; I357-Q369 PolarHBondContact N-O 3.07Å; I357-Q369 PolarHBondContact O-N 3.08Å; Q369-L371 HydrophobicContact CG-CD2 3.91Å; Q369-F412 PolarHBondContact NE2-O 3.41Å
370	S	97.1	Very high	94.7	Very high	43 Å²	43	51.6 Å²	51.6	30%	0.301	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.3	167.7	-65.3	0	0	0	0	109.7	R326 S354 T355 S356	R326-S370 PolarHBondContact NH1-OG 3.23Å; S354-S370 WeakPolarHBondContact OG-CB 3.46Å; T355-S370 CarbonylContact O-C 3.53Å; T355-S370 WeakPolarHBondContact O-CA 2.93Å; S356-S370 PolarHBondContact OG-OG 2.97Å
371	L	97.6	Very high	94.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.7	-177.5	-60.5	-175.5	0	0	0	110.4	T355 I357 Q369 L391 L393 Y403 F412	T355-L371 PolarHBondContact N-O 3.19Å; T355-L371 PolarHBondContact O-N 3.11Å; I357-L371 HydrophobicContact CD1-CD1 3.74Å; I357-L371 HydrophobicContact CD1-CG 4.19Å; I357-L371 HydrophobicContact CG1-CD1 4.37Å; Q369-L371 HydrophobicContact CG-CD2 3.91Å; L371-L391 HydrophobicContact CD1-CD1 4.22Å; L371-L393 HydrophobicContact CB-CD1 4.04Å; L371-L393 HydrophobicContact CD1-CD1 4.36Å; L371-Y403 HydrophobicContact CD1-CD1 4.47Å; L371-Y403 HydrophobicContact CD1-CD2 4.31Å; L371-Y403 HydrophobicContact CD1-CG 4.29Å; L371-Y403 HydrophobicContact CD2-CD1 3.99Å; L371-Y403 HydrophobicContact CD2-CE1 3.86Å; L371-F412 HydrophobicContact CD1-CB 4.46Å; L371-F412 HydrophobicContact CD2-CB 4.28Å
372	H	96.4	Very high	95.2	Very high	15 Å²	15	48.1 Å²	48.1	7%	0.069	24%	0.239	C	C	.	.	S	Bend	trans	50.1	54.7	167.3	-151	-148.4	0	0	0	115.2	H375 D377 L393 Y403	H372-H375 AromaticContact CD2-CD2 3.94Å; H372-H375 AromaticContact CD2-CE1 3.73Å; H372-H375 AromaticContact CD2-CG 3.52Å; H372-H375 AromaticContact CD2-ND1 3.38Å; H372-H375 PolarHBondContact CD2-ND1 2.88Å; H372-H375 VanDerWaalsContact CE1-CB 3.44Å; H372-H375 WeakPolarHBondContact CE1-CB 3.5Å; H372-H375 AromaticContact CE1-CD2 3.45Å; H372-H375 PolarHBondContact CE1-CD2 3.31Å; H372-H375 VanDerWaalsContact CE1-CD2 3.45Å; H372-H375 AromaticContact CE1-CG 3.31Å; H372-H375 AromaticContact CE1-ND1 3.99Å; H372-H375 AromaticContact CG-CG 3.68Å; H372-H375 AromaticContact CG-ND1 3.75Å; H372-H375 VanDerWaalsContact ND1-CB 3.3Å; H372-H375 WeakPolarHBondContact ND1-CB 3.34Å; H372-H375 AromaticContact ND1-CG 3.56Å; H372-H375 AromaticContact NE2-CD2 3.28Å; H372-H375 PolarHBondContact NE2-CD2 3.31Å; H372-H375 VanDerWaalsContact NE2-CD2 3.28Å; H372-H375 AromaticContact NE2-CE1 3.71Å; H372-H375 AromaticContact NE2-CG 3.29Å; H372-H375 VanDerWaalsContact NE2-CG 3.29Å; H372-H375 AromaticContact NE2-ND1 3.57Å; H372-H375 AromaticContact NE2-NE2 3.58Å; H372-H375 WeakPolarHBondContact O-CB 3.29Å; H372-H375 PolarHBondContact O-N 2.72Å; H372-D377 WeakPolarHBondContact CB-OD2 3.24Å; H372-D377 IonicContact CE1-OD1 3.59Å; H372-D377 PolarHBondContact CE1-OD1 3.1Å; H372-D377 IonicContact CG-OD1 3.06Å; H372-D377 IonicContact CG-OD2 3.49Å; H372-D377 IonicContact ND1-OD1 3.67Å; H372-D377 PolarHBondContact ND1-OD1 2.94Å; H372-D377 IonicContact ND1-OD2 3.74Å; H372-D377 PolarHBondContact ND1-OD2 3.08Å; H372-L393 HydrophobicContact CB-CD1 3.76Å; H372-Y403 PolarHBondContact N-OH 2.77Å
373	P	95.8	Very high	95.8	Very high	76 Å²	76	43.7 Å²	43.7	49%	0.494	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	147.3	-178.5	28.6	-36.4	0	0	0	111.5	H375	P373-H375 PolarHBondContact O-CE1 3.02Å; P373-H375 PolarHBondContact O-N 3.39Å; P373-H375 PolarHBondContact O-ND1 3.5Å
374	W	95.5	Very high	96.1	Very high	189 Å²	189	42.2 Å²	42.2	72%	0.716	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	8.1	179	-45.3	105.2	0	0	0	116.5	K351	K351-W374 WeakPolarHBondContact O-CA 3.27Å
375	H	95.9	Very high	96.1	Very high	60 Å²	60	42.3 Å²	42.3	28%	0.278	20%	0.2	S	C	.	.	S	Bend	trans	-102.2	172.2	177.8	-64.7	81.4	0	0	0	111.5	S350 H372 P373	S350-H375 CarbonylContact C-O 3.52Å; H372-H375 AromaticContact CD2-CD2 3.94Å; H372-H375 AromaticContact CD2-CE1 3.73Å; H372-H375 AromaticContact CD2-CG 3.52Å; H372-H375 AromaticContact CD2-ND1 3.38Å; H372-H375 PolarHBondContact CD2-ND1 2.88Å; H372-H375 VanDerWaalsContact CE1-CB 3.44Å; H372-H375 WeakPolarHBondContact CE1-CB 3.5Å; H372-H375 AromaticContact CE1-CD2 3.45Å; H372-H375 PolarHBondContact CE1-CD2 3.31Å; H372-H375 VanDerWaalsContact CE1-CD2 3.45Å; H372-H375 AromaticContact CE1-CG 3.31Å; H372-H375 AromaticContact CE1-ND1 3.99Å; H372-H375 AromaticContact CG-CG 3.68Å; H372-H375 AromaticContact CG-ND1 3.75Å; H372-H375 VanDerWaalsContact ND1-CB 3.3Å; H372-H375 WeakPolarHBondContact ND1-CB 3.34Å; H372-H375 AromaticContact ND1-CG 3.56Å; H372-H375 AromaticContact NE2-CD2 3.28Å; H372-H375 PolarHBondContact NE2-CD2 3.31Å; H372-H375 VanDerWaalsContact NE2-CD2 3.28Å; H372-H375 AromaticContact NE2-CE1 3.71Å; H372-H375 AromaticContact NE2-CG 3.29Å; H372-H375 VanDerWaalsContact NE2-CG 3.29Å; H372-H375 AromaticContact NE2-ND1 3.57Å; H372-H375 AromaticContact NE2-NE2 3.58Å; H372-H375 WeakPolarHBondContact O-CB 3.29Å; H372-H375 PolarHBondContact O-N 2.72Å; P373-H375 PolarHBondContact O-CE1 3.02Å; P373-H375 PolarHBondContact O-N 3.39Å; P373-H375 PolarHBondContact O-ND1 3.5Å
376	R	96.8	Very high	95.8	Very high	134 Å²	134	48.9 Å²	48.9	51%	0.506	23%	0.231	S	C	.	.			trans	-120.8	73.9	-177.1	-66.3	-171.2	175.3	176.6	-2.2	108.5	S349 K351 T378 S395 A396	S349-R376 WeakPolarHBondContact O-CB 3.35Å; S349-R376 VanDerWaalsContact O-CG 3.26Å; S349-R376 WeakPolarHBondContact O-CG 3.4Å; K351-R376 HydrophobicContact CG-CG 3.93Å; R376-T378 PolarHBondContact O-N 2.04Å; R376-S395 PolarHBondContact N-OG 3.41Å; R376-S395 VanDerWaalsContact N-OG 3.13Å; R376-S395 WeakPolarHBondContact O-CA 3.39Å; R376-S395 PolarHBondContact O-OG 3.29Å; R376-S395 VanDerWaalsContact O-OG 3.12Å; R376-A396 HydrophobicContact CB-CB 4.11Å; R376-A396 PolarHBondContact O-N 2.85Å
377	D	97.7	Very high	95.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.9	-172.3	-61.6	-25.2	0	0	0	110.5	A347 D348 S349 T355 H372 S394 S395	A347-D377 HydrophobicContact CB-CB 4.41Å; D348-D377 CarbonylContact C-O 3.52Å; D348-D377 VanDerWaalsContact C-O 3.27Å; D348-D377 PolarHBondContact O-N 3.06Å; S349-D377 WeakPolarHBondContact CA-O 3.25Å; S349-D377 PolarHBondContact N-O 3.24Å; T355-D377 WeakPolarHBondContact CB-OD2 3.35Å; T355-D377 VanDerWaalsContact OG1-CB 3.24Å; T355-D377 WeakPolarHBondContact OG1-CB 3.11Å; T355-D377 VanDerWaalsContact OG1-CG 3.32Å; T355-D377 PolarHBondContact OG1-OD2 2.84Å; H372-D377 WeakPolarHBondContact CB-OD2 3.24Å; H372-D377 IonicContact CE1-OD1 3.59Å; H372-D377 PolarHBondContact CE1-OD1 3.1Å; H372-D377 IonicContact CG-OD1 3.06Å; H372-D377 IonicContact CG-OD2 3.49Å; H372-D377 IonicContact ND1-OD1 3.67Å; H372-D377 PolarHBondContact ND1-OD1 2.94Å; H372-D377 IonicContact ND1-OD2 3.74Å; H372-D377 PolarHBondContact ND1-OD2 3.08Å; D377-S394 CarbonylContact C-O 3.5Å; D377-S394 VanDerWaalsContact CA-O 3.28Å; D377-S394 WeakPolarHBondContact CA-O 3.48Å; D377-S395 PolarHBondContact N-OG 2.7Å; D377-S395 WeakPolarHBondContact OD1-CB 3.36Å; D377-S395 PolarHBondContact OD1-OG 3.41Å
378	T	96.8	Very high	95.5	Very high	16 Å²	16	47.9 Å²	47.9	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-31.4	-176.3	55.1	0	0	0	0	111.6	N331 R376 S394 Q425	N331-T378 PolarHBondContact ND2-O 3.34Å; R376-T378 PolarHBondContact O-N 2.04Å; T378-S394 PolarHBondContact N-O 2.75Å; T378-S394 WeakPolarHBondContact OG1-CB 3.42Å; T378-S394 PolarHBondContact OG1-O 2.84Å; T378-Q425 WeakPolarHBondContact CB-O 3.49Å; T378-Q425 PolarHBondContact OG1-O 3.4Å
379	H	98.1	Very high	95.5	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.9	-175.5	-173.3	-94.1	0	0	0	111.5	F332 E381 S394 M426 V427 K428	F332-H379 AromaticContact CD1-CD2 3.74Å; F332-H379 AromaticContact CD1-NE2 3.94Å; F332-H379 AromaticContact CD2-CD2 3.53Å; F332-H379 AromaticContact CE1-CD2 3.79Å; F332-H379 AromaticContact CE1-NE2 3.5Å; F332-H379 WeakPolarHBondContact CE1-NE2 2.99Å; F332-H379 AromaticContact CE2-CD2 3.57Å; F332-H379 AromaticContact CE2-NE2 3.59Å; F332-H379 AromaticContact CG-CD2 3.62Å; F332-H379 AromaticContact CZ-CD2 3.73Å; F332-H379 AromaticContact CZ-NE2 3.32Å; F332-H379 VanDerWaalsContact CZ-NE2 3.32Å; F332-H379 WeakPolarHBondContact CZ-NE2 3.37Å; H379-E381 IonicContact CE1-OE2 3.71Å; H379-E381 PolarHBondContact CE1-OE2 3.1Å; H379-S394 PolarHBondContact O-N 2.93Å; H379-M426 HydrophobicContact CB-CB 4.4Å; H379-M426 HydrophobicContact CB-CG 4.24Å; H379-M426 PolarHBondContact CD2-SD 2.73Å; H379-V427 PolarHBondContact CE1-O 2.96Å; H379-V427 PolarHBondContact ND1-O 3.33Å; H379-K428 WeakPolarHBondContact NE2-CE 3.32Å; H379-K428 PolarHBondContact NE2-NZ 3.48Å
380	V	98.3	Very high	95.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.8	171.9	178.4	0	0	0	0	107.3	E334 A345 A347 T355 L391 I392 L393	E334-V380 HydrophobicContact CB-CB 4.33Å; E334-V380 HydrophobicContact CB-CG1 4.3Å; A345-V380 HydrophobicContact CB-CG1 3.97Å; A345-V380 HydrophobicContact CB-CG2 4.38Å; A347-V380 HydrophobicContact CB-CG2 3.69Å; T355-V380 HydrophobicContact CG2-CG2 3.8Å; V380-L391 HydrophobicContact CG1-CD2 3.72Å; V380-I392 WeakPolarHBondContact CA-O 3.47Å; V380-L393 HydrophobicContact CB-CD2 3.95Å; V380-L393 HydrophobicContact CG1-CD2 3.85Å; V380-L393 HydrophobicContact CG2-CD2 3.37Å
381	E	98.3	Very high	95.6	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.5	173.9	-178.1	73.4	166.2	0	0	109.5	H379 L391 I392 V427 K428 H429	H379-E381 IonicContact CE1-OE2 3.71Å; H379-E381 PolarHBondContact CE1-OE2 3.1Å; E381-L391 CarbonylContact O-C 3.57Å; E381-L391 WeakPolarHBondContact O-CA 3.28Å; E381-I392 HydrophobicContact CB-CB 4.34Å; E381-I392 PolarHBondContact N-O 2.82Å; E381-I392 PolarHBondContact O-N 3.15Å; E381-V427 HydrophobicContact CB-CB 4.44Å; E381-K428 WeakPolarHBondContact OE1-CA 3.02Å; E381-K428 WeakPolarHBondContact OE2-CD 3.4Å; E381-K428 IonicContact OE2-NZ 3.3Å; E381-K428 PolarHBondContact OE2-NZ 3.44Å; E381-H429 IonicContact OE1-CE1 2.98Å; E381-H429 IonicContact OE1-CG 2.7Å; E381-H429 PolarHBondContact OE1-N 2.88Å; E381-H429 IonicContact OE1-ND1 3.84Å; E381-H429 PolarHBondContact OE1-ND1 3.07Å
382	F	98.2	Very high	95.6	Very high	39 Å²	39	43.5 Å²	43.5	17%	0.171	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.6	171.9	178.2	-97.8	0	0	0	110.8	E334 F336 L338 Q389 L391 F412 H429	E334-F382 HydrophobicContact CG-CB 4.27Å; F336-F382 HydrophobicContact CB-CB 3.99Å; F336-F382 HydrophobicContact CB-CD1 3.47Å; F336-F382 VanDerWaalsContact CB-CD1 3.47Å; F336-F382 HydrophobicContact CB-CD2 3.7Å; F336-F382 HydrophobicContact CB-CE1 3.77Å; F336-F382 HydrophobicContact CB-CE2 3.97Å; F336-F382 HydrophobicContact CB-CG 3.42Å; F336-F382 VanDerWaalsContact CB-CG 3.42Å; F336-F382 HydrophobicContact CB-CZ 4Å; F336-F382 HydrophobicContact CD1-CB 3.98Å; F336-F382 HydrophobicContact CD1-CD2 4.07Å; F336-F382 HydrophobicContact CD1-CG 4.09Å; F336-F382 AromaticContact CD2-CD2 3.78Å; F336-F382 HydrophobicContact CD2-CD2 3.78Å; F336-F382 AromaticContact CD2-CE2 3.81Å; F336-F382 HydrophobicContact CD2-CE2 3.81Å; F336-F382 HydrophobicContact CD2-CG 4.38Å; F336-F382 HydrophobicContact CD2-CZ 4.44Å; F336-F382 HydrophobicContact CE2-CD2 4.44Å; F336-F382 HydrophobicContact CG-CB 4.13Å; F336-F382 HydrophobicContact CG-CD1 4.28Å; F336-F382 AromaticContact CG-CD2 3.57Å; F336-F382 HydrophobicContact CG-CD2 3.57Å; F336-F382 AromaticContact CG-CE2 3.98Å; F336-F382 HydrophobicContact CG-CE2 3.98Å; F336-F382 AromaticContact CG-CG 3.73Å; F336-F382 HydrophobicContact CG-CG 3.73Å; F336-F382 HydrophobicContact CG-CZ 4.49Å; L338-F382 HydrophobicContact CD2-CE2 3.96Å; L338-F382 HydrophobicContact CD2-CZ 4.14Å; F382-Q389 HydrophobicContact CE2-CB 4Å; F382-Q389 HydrophobicContact CZ-CB 4.1Å; F382-Q389 HydrophobicContact CZ-CG 4.19Å; F382-L391 HydrophobicContact CB-CD2 3.8Å; F382-L391 HydrophobicContact CD2-CD2 3.78Å; F382-L391 HydrophobicContact CD2-CG 4.35Å; F382-L391 HydrophobicContact CG-CD2 4.3Å; F382-F412 HydrophobicContact CE2-CZ 4.47Å; F382-H429 PolarHBondContact O-CE1 2.84Å
383	L	95.8	Very high	95.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149.4	171.5	68.7	160.2	0	0	0	111.9	V385 R390 I392 L436 L438	L383-V385 HydrophobicContact CD1-CG2 3.31Å; L383-V385 HydrophobicContact CG-CG2 3.88Å; L383-R390 HydrophobicContact CD2-CB 4.08Å; L383-R390 HydrophobicContact CG-CB 4.36Å; L383-R390 PolarHBondContact N-O 2.59Å; L383-R390 PolarHBondContact O-N 2.83Å; L383-I392 HydrophobicContact CD2-CD1 3.54Å; L383-I392 HydrophobicContact CD2-CG1 3.68Å; L383-L436 HydrophobicContact CD1-CD1 4.08Å; L383-L436 HydrophobicContact CD1-CD2 3.7Å; L383-L438 HydrophobicContact CD1-CD2 4.48Å
384	D	93.4	Very high	95.7	Very high	71 Å²	71	39.2 Å²	39.2	38%	0.38	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.1	167.4	-168.9	-33.8	0	0	0	108.9	G387 K388 W431	D384-G387 WeakPolarHBondContact OD1-CA 3.28Å; D384-G387 PolarHBondContact OD1-N 2.67Å; D384-K388 PolarHBondContact OD1-N 3.05Å; D384-W431 WeakPolarHBondContact O-CZ2 3.37Å
385	V	90.3	Very high	95.7	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	113.5	179.2	-167	0	0	0	0	108	L383 G387 K388 W431 L436	L383-V385 HydrophobicContact CD1-CG2 3.31Å; L383-V385 HydrophobicContact CG-CG2 3.88Å; V385-G387 PolarHBondContact O-N 3.43Å; V385-K388 PolarHBondContact N-O 3.1Å; V385-K388 VanDerWaalsContact N-O 3.16Å; V385-K388 WeakPolarHBondContact O-CB 3.28Å; V385-K388 PolarHBondContact O-N 2.96Å; V385-W431 HydrophobicContact CG1-CH2 4.34Å; V385-L436 HydrophobicContact CB-CD2 4.3Å; V385-L436 HydrophobicContact CG1-CD2 3.86Å; V385-L436 HydrophobicContact CG2-CD2 3.41Å; V385-L436 VanDerWaalsContact CG2-CD2 3.41Å
386	E	87.9	Confident	95.6	Very high	138 Å²	138	29.1 Å²	29.1	65%	0.645	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	37.3	178	-58.2	166.1	-168.4	0	0	112.6	K388	E386-K388 VanDerWaalsContact C-N 3.25Å; E386-K388 PolarHBondContact O-N 3.35Å
387	G	89.6	Confident	95.1	Very high	41 Å²	41	26.7 Å²	26.7	42%	0.423	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	4.7	-180	0	0	0	0	0	114.4	D384 V385 R407	D384-G387 WeakPolarHBondContact OD1-CA 3.28Å; D384-G387 PolarHBondContact OD1-N 2.67Å; V385-G387 PolarHBondContact O-N 3.43Å; G387-R407 PolarHBondContact O-NH2 3.08Å
388	K	93.1	Very high	94.8	Very high	96 Å²	96	30.2 Å²	30.2	42%	0.417	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.9	174.8	-62.5	174.9	-177.8	167	0	108.7	D384 V385 E386	D384-K388 PolarHBondContact OD1-N 3.05Å; V385-K388 PolarHBondContact N-O 3.1Å; V385-K388 VanDerWaalsContact N-O 3.16Å; V385-K388 WeakPolarHBondContact O-CB 3.28Å; V385-K388 PolarHBondContact O-N 2.96Å; E386-K388 VanDerWaalsContact C-N 3.25Å; E386-K388 PolarHBondContact O-N 3.35Å
389	Q	96.2	Very high	94.7	Very high	16 Å²	16	30.6 Å²	30.6	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.4	174.8	-55.2	110.6	-22.6	0	0	110.5	L338 F382 W405	L338-Q389 HydrophobicContact CD2-CB 3.54Å; L338-Q389 HydrophobicContact CD2-CG 3.59Å; F382-Q389 HydrophobicContact CE2-CB 4Å; F382-Q389 HydrophobicContact CZ-CB 4.1Å; F382-Q389 HydrophobicContact CZ-CG 4.19Å; Q389-W405 HydrophobicContact CB-CB 3.96Å; Q389-W405 PolarHBondContact O-N 3.02Å
390	R	96.9	Very high	94.6	Very high	8 Å²	8	30.5 Å²	30.5	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.4	-175	-69.4	172.6	173.7	173.6	-4.6	111.4	L383 V402 Y403 Q404 H415	L383-R390 HydrophobicContact CD2-CB 4.08Å; L383-R390 HydrophobicContact CG-CB 4.36Å; L383-R390 PolarHBondContact N-O 2.59Å; L383-R390 PolarHBondContact O-N 2.83Å; R390-V402 HydrophobicContact CB-CG1 4.25Å; R390-V402 HydrophobicContact CG-CG1 4.25Å; R390-Y403 CarbonylContact C-O 3.54Å; R390-Y403 WeakPolarHBondContact CA-O 3.36Å; R390-Y403 WeakPolarHBondContact CB-O 3.43Å; R390-Q404 HydrophobicContact CG-CB 4.38Å; R390-Q404 HydrophobicContact CG-CG 4.32Å; R390-H415 PolarHBondContact NH2-NE2 3.25Å
391	L	98.1	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.6	167.7	-74	173.5	0	0	0	109	F336 I357 L371 V380 E381 F382 V402 Y403 F412	F336-L391 HydrophobicContact CD1-CD2 4.25Å; F336-L391 HydrophobicContact CE1-CD1 4.45Å; F336-L391 HydrophobicContact CE1-CD2 3.85Å; F336-L391 HydrophobicContact CZ-CD1 4.04Å; F336-L391 HydrophobicContact CZ-CD2 4.15Å; I357-L391 HydrophobicContact CD1-CD1 3.68Å; L371-L391 HydrophobicContact CD1-CD1 4.22Å; V380-L391 HydrophobicContact CG1-CD2 3.72Å; E381-L391 CarbonylContact O-C 3.57Å; E381-L391 WeakPolarHBondContact O-CA 3.28Å; F382-L391 HydrophobicContact CB-CD2 3.8Å; F382-L391 HydrophobicContact CD2-CD2 3.78Å; F382-L391 HydrophobicContact CD2-CG 4.35Å; F382-L391 HydrophobicContact CG-CD2 4.3Å; L391-V402 WeakPolarHBondContact O-CA 2.9Å; L391-Y403 PolarHBondContact N-O 3.36Å; L391-Y403 PolarHBondContact O-N 3.46Å; L391-F412 HydrophobicContact CB-CD1 4.34Å; L391-F412 HydrophobicContact CB-CE1 4.21Å; L391-F412 HydrophobicContact CD1-CD1 4Å; L391-F412 HydrophobicContact CD1-CD2 3.63Å; L391-F412 HydrophobicContact CD1-CE1 3.85Å; L391-F412 HydrophobicContact CD1-CE2 3.43Å; L391-F412 VanDerWaalsContact CD1-CE2 3.43Å; L391-F412 HydrophobicContact CD1-CG 3.9Å; L391-F412 HydrophobicContact CD1-CZ 3.55Å; L391-F412 HydrophobicContact CG-CD1 4.11Å; L391-F412 HydrophobicContact CG-CD2 4.5Å; L391-F412 HydrophobicContact CG-CE1 3.65Å; L391-F412 HydrophobicContact CG-CE2 4.06Å; L391-F412 HydrophobicContact CG-CZ 3.61Å
392	I	98.1	Very high	94.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121	173.6	-53.4	176.2	0	0	0	108.3	V380 E381 L383 P400 V401 V402 I418 V427 L438	V380-I392 WeakPolarHBondContact CA-O 3.47Å; E381-I392 HydrophobicContact CB-CB 4.34Å; E381-I392 PolarHBondContact N-O 2.82Å; E381-I392 PolarHBondContact O-N 3.15Å; L383-I392 HydrophobicContact CD2-CD1 3.54Å; L383-I392 HydrophobicContact CD2-CG1 3.68Å; I392-P400 HydrophobicContact CG2-CB 3.82Å; I392-V401 CarbonylContact C-O 3.54Å; I392-V401 VanDerWaalsContact CA-O 3.31Å; I392-V401 WeakPolarHBondContact CA-O 3.36Å; I392-V402 HydrophobicContact CG1-CG2 4.3Å; I392-I418 HydrophobicContact CD1-CD1 4.17Å; I392-I418 HydrophobicContact CG2-CD1 4.19Å; I392-V427 HydrophobicContact CD1-CG1 4.2Å; I392-V427 HydrophobicContact CG2-CB 4.29Å; I392-V427 HydrophobicContact CG2-CG1 4.3Å; I392-V427 HydrophobicContact CG2-CG2 4.01Å; I392-L438 HydrophobicContact CD1-CD1 3.79Å; I392-L438 HydrophobicContact CD1-CD2 4.12Å
393	L	98.1	Very high	94.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.1	175.2	-57.6	-172	0	0	0	110	T355 L371 H372 V380 P400 V401 Y403	T355-L393 HydrophobicContact CG2-CD1 4.21Å; T355-L393 HydrophobicContact CG2-CD2 3.98Å; L371-L393 HydrophobicContact CB-CD1 4.04Å; L371-L393 HydrophobicContact CD1-CD1 4.36Å; H372-L393 HydrophobicContact CB-CD1 3.76Å; V380-L393 HydrophobicContact CB-CD2 3.95Å; V380-L393 HydrophobicContact CG1-CD2 3.85Å; V380-L393 HydrophobicContact CG2-CD2 3.37Å; L393-P400 CarbonylContact O-C 3.45Å; L393-P400 WeakPolarHBondContact O-CA 3.44Å; L393-V401 PolarHBondContact N-O 3.38Å; L393-V401 PolarHBondContact O-N 3.34Å; L393-Y403 HydrophobicContact CD1-CD2 4.18Å; L393-Y403 HydrophobicContact CD1-CE2 3.65Å; L393-Y403 HydrophobicContact CG-CD2 4.23Å; L393-Y403 HydrophobicContact CG-CE2 4.1Å
394	S	97.5	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.9	166.1	-56.3	0	0	0	0	109.1	D377 T378 H379 V424 V427	D377-S394 CarbonylContact C-O 3.5Å; D377-S394 VanDerWaalsContact CA-O 3.28Å; D377-S394 WeakPolarHBondContact CA-O 3.48Å; T378-S394 PolarHBondContact N-O 2.75Å; T378-S394 WeakPolarHBondContact OG1-CB 3.42Å; T378-S394 PolarHBondContact OG1-O 2.84Å; H379-S394 PolarHBondContact O-N 2.93Å; S394-V424 WeakPolarHBondContact CB-O 3.33Å; S394-V427 WeakPolarHBondContact OG-CG2 3.27Å; S394-V427 PolarHBondContact OG-N 3.24Å
395	S	95.4	Very high	94.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146.3	-177.1	-150	0	0	0	0	110.8	R376 D377 S397 Q398	R376-S395 PolarHBondContact N-OG 3.41Å; R376-S395 VanDerWaalsContact N-OG 3.13Å; R376-S395 WeakPolarHBondContact O-CA 3.39Å; R376-S395 PolarHBondContact O-OG 3.29Å; R376-S395 VanDerWaalsContact O-OG 3.12Å; D377-S395 PolarHBondContact N-OG 2.7Å; D377-S395 WeakPolarHBondContact OD1-CB 3.36Å; D377-S395 PolarHBondContact OD1-OG 3.41Å; S395-S397 PolarHBondContact O-N 3.02Å; S395-Q398 PolarHBondContact O-N 3.41Å
396	A	92.3	Very high	95.1	Very high	36 Å²	36	31.7 Å²	31.7	30%	0.298	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	133	-179	0	0	0	0	0	111.4	R376 Q398	R376-A396 HydrophobicContact CB-CB 4.11Å; R376-A396 PolarHBondContact O-N 2.85Å; A396-Q398 PolarHBondContact O-N 2.96Å
397	S	88	Confident	95.3	Very high	83 Å²	83	31.7 Å²	31.7	58%	0.58	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	25.2	178	-51.1	0	0	0	0	115.2	S395 D423	S395-S397 PolarHBondContact O-N 3.02Å; S397-D423 WeakPolarHBondContact CA-OD1 3.45Å; S397-D423 PolarHBondContact N-OD1 3.16Å; S397-D423 PolarHBondContact OG-OD1 2.88Å
398	Q	90	Very high	95.5	Very high	74 Å²	74	35.3 Å²	35.3	35%	0.346	19%	0.188	S	C	.	.	S	Bend	trans	-136.4	155.9	174.8	-64.9	-63	-56	0	0	111	S395 A396 D423	S395-Q398 PolarHBondContact O-N 3.41Å; A396-Q398 PolarHBondContact O-N 2.96Å; Q398-D423 PolarHBondContact O-N 3.26Å
399	P	94.5	Very high	95.6	Very high	24 Å²	24	36.1 Å²	36.1	16%	0.156	20%	0.197	C	C	.	.			trans	-68.5	151.4	164.7	29.3	-33.3	0	0	0	110.7	V401 Q417 I418	P399-V401 PolarHBondContact O-N 3.47Å; P399-Q417 HydrophobicContact CG-CB 4.48Å; P399-I418 VanDerWaalsContact CB-O 3.31Å; P399-I418 WeakPolarHBondContact CB-O 3.3Å
400	P	97.3	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.			trans	-56.7	138.2	172.9	-23.4	30.8	0	0	0	112.6	I392 L393 Q417 I418 T421 V424 V427 L440	I392-P400 HydrophobicContact CG2-CB 3.82Å; L393-P400 CarbonylContact O-C 3.45Å; L393-P400 WeakPolarHBondContact O-CA 3.44Å; P400-Q417 WeakPolarHBondContact O-CA 3.43Å; P400-I418 HydrophobicContact CB-CB 4.17Å; P400-I418 HydrophobicContact CB-CD1 4.32Å; P400-I418 HydrophobicContact CB-CG1 4.48Å; P400-I418 WeakPolarHBondContact CD-O 3.16Å; P400-I418 HydrophobicContact CG-CB 4.39Å; P400-I418 PolarHBondContact O-N 3.28Å; P400-T421 WeakPolarHBondContact CD-O 3.29Å; P400-V424 HydrophobicContact CG-CB 3.71Å; P400-V424 HydrophobicContact CG-CG1 3.99Å; P400-V424 HydrophobicContact CG-CG2 3.63Å; P400-V427 HydrophobicContact CB-CG2 4.23Å; P400-V427 HydrophobicContact CG-CG2 4.1Å; P400-L440 HydrophobicContact CG-CD2 4.12Å
401	V	97.1	Very high	95.6	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.8	-179.3	-178.4	0	0	0	0	109.8	I392 L393 P399 Y403 F414 Q417	I392-V401 CarbonylContact C-O 3.54Å; I392-V401 VanDerWaalsContact CA-O 3.31Å; I392-V401 WeakPolarHBondContact CA-O 3.36Å; L393-V401 PolarHBondContact N-O 3.38Å; L393-V401 PolarHBondContact O-N 3.34Å; P399-V401 PolarHBondContact O-N 3.47Å; V401-Y403 HydrophobicContact CB-CE2 4.21Å; V401-Y403 HydrophobicContact CG1-CD2 4.05Å; V401-Y403 HydrophobicContact CG1-CE2 3.54Å; V401-F414 HydrophobicContact CG1-CD2 3.59Å; V401-F414 HydrophobicContact CG1-CE2 3.61Å; V401-Q417 HydrophobicContact CG2-CG 4.3Å
402	V	97	Very high	95.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.8	177.4	-170.5	0	0	0	0	109.3	R390 L391 I392 H415 S416 I418	R390-V402 HydrophobicContact CB-CG1 4.25Å; R390-V402 HydrophobicContact CG-CG1 4.25Å; L391-V402 WeakPolarHBondContact O-CA 2.9Å; I392-V402 HydrophobicContact CG1-CG2 4.3Å; V402-H415 WeakPolarHBondContact O-CA 3.45Å; V402-H415 WeakPolarHBondContact O-CB 3.49Å; V402-H415 PolarHBondContact O-N 3.31Å; V402-S416 PolarHBondContact N-O 2.97Å; V402-S416 PolarHBondContact O-N 3.41Å; V402-I418 HydrophobicContact CG2-CD1 3.93Å; V402-I418 HydrophobicContact CG2-CG1 3.77Å
403	Y	98.1	Very high	95.6	Very high	23 Å²	23	46.9 Å²	46.9	9%	0.09	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	144.7	167.8	-69	-96.4	0	0	0	109.9	L371 H372 R390 L391 L393 V401 F412 A413 F414	L371-Y403 HydrophobicContact CD1-CD1 4.47Å; L371-Y403 HydrophobicContact CD1-CD2 4.31Å; L371-Y403 HydrophobicContact CD1-CG 4.29Å; L371-Y403 HydrophobicContact CD2-CD1 3.99Å; L371-Y403 HydrophobicContact CD2-CE1 3.86Å; H372-Y403 PolarHBondContact N-OH 2.77Å; R390-Y403 CarbonylContact C-O 3.54Å; R390-Y403 WeakPolarHBondContact CA-O 3.36Å; R390-Y403 WeakPolarHBondContact CB-O 3.43Å; L391-Y403 PolarHBondContact N-O 3.36Å; L391-Y403 PolarHBondContact O-N 3.46Å; L393-Y403 HydrophobicContact CD1-CD2 4.18Å; L393-Y403 HydrophobicContact CD1-CE2 3.65Å; L393-Y403 HydrophobicContact CG-CD2 4.23Å; L393-Y403 HydrophobicContact CG-CE2 4.1Å; V401-Y403 HydrophobicContact CB-CE2 4.21Å; V401-Y403 HydrophobicContact CG1-CD2 4.05Å; V401-Y403 HydrophobicContact CG1-CE2 3.54Å; Y403-F412 HydrophobicContact CD1-CB 4.39Å; Y403-A413 CarbonylContact C-O 3.5Å; Y403-A413 VanDerWaalsContact CA-O 3.26Å; Y403-A413 WeakPolarHBondContact CA-O 3.23Å; Y403-F414 HydrophobicContact CD1-CB 4.5Å; Y403-F414 HydrophobicContact CE1-CB 4.25Å
404	Q	97.1	Very high	95.5	Very high	53 Å²	53	52.7 Å²	52.7	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.2	175.8	-172.3	176	-79.2	0	0	110.4	R390 N406 F412 A413 H415	R390-Q404 HydrophobicContact CG-CB 4.38Å; R390-Q404 HydrophobicContact CG-CG 4.32Å; Q404-N406 PolarHBondContact O-N 3.19Å; Q404-F412 WeakPolarHBondContact O-CA 3.28Å; Q404-A413 PolarHBondContact N-O 2.75Å; Q404-A413 PolarHBondContact O-N 3.46Å; Q404-H415 HydrophobicContact CB-CB 3.91Å
405	W	97.6	Very high	95.4	Very high	12 Å²	12	56.6 Å²	56.6	5%	0.045	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.1	175.9	-175.6	-121.7	0	0	0	110.8	L338 D339 H368 Q389 R410 F412	L338-W405 HydrophobicContact CB-CZ2 4.37Å; L338-W405 HydrophobicContact CD1-CD2 3.84Å; L338-W405 HydrophobicContact CD1-CE3 3.74Å; L338-W405 HydrophobicContact CD1-CG 4.49Å; L338-W405 HydrophobicContact CD1-CH2 3.89Å; L338-W405 HydrophobicContact CD1-CZ2 4.03Å; L338-W405 HydrophobicContact CD1-CZ3 3.76Å; L338-W405 HydrophobicContact CD2-CB 4.48Å; L338-W405 HydrophobicContact CD2-CD2 4.29Å; L338-W405 HydrophobicContact CD2-CG 4.11Å; D339-W405 PolarHBondContact OD2-NE1 3.27Å; H368-W405 AromaticContact NE2-CH2 3.75Å; H368-W405 AromaticContact NE2-CZ3 3.99Å; Q389-W405 HydrophobicContact CB-CB 3.96Å; Q389-W405 PolarHBondContact O-N 3.02Å; W405-R410 HydrophobicContact CH2-CB 3.98Å; W405-R410 WeakPolarHBondContact CH2-O 3.26Å; W405-R410 VanDerWaalsContact CZ2-CA 3.5Å; W405-R410 HydrophobicContact CZ2-CB 3.9Å; W405-R410 HydrophobicContact CZ2-CG 4.3Å; W405-R410 WeakPolarHBondContact CZ3-O 3.46Å; W405-F412 HydrophobicContact CB-CD1 4.28Å; W405-F412 HydrophobicContact CB-CE1 3.88Å; W405-F412 HydrophobicContact CB-CZ 4.28Å; W405-F412 HydrophobicContact CE3-CD1 4.38Å; W405-F412 AromaticContact CE3-CD2 3.59Å; W405-F412 HydrophobicContact CE3-CD2 3.59Å; W405-F412 HydrophobicContact CE3-CE1 4.33Å; W405-F412 AromaticContact CE3-CE2 3.55Å; W405-F412 HydrophobicContact CE3-CE2 3.55Å; W405-F412 HydrophobicContact CE3-CG 4.03Å; W405-F412 AromaticContact CE3-CZ 3.94Å; W405-F412 HydrophobicContact CE3-CZ 3.94Å; W405-F412 AromaticContact CZ3-CD2 3.85Å; W405-F412 HydrophobicContact CZ3-CD2 3.85Å; W405-F412 AromaticContact CZ3-CE2 3.88Å; W405-F412 HydrophobicContact CZ3-CE2 3.88Å
406	N	96.4	Very high	95.4	Very high	55 Å²	55	58.6 Å²	58.6	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	104.9	168.8	-176.6	-33.5	0	0	0	108.3	Q404 S408 L409 R410 Q411	Q404-N406 PolarHBondContact O-N 3.19Å; N406-S408 VanDerWaalsContact C-N 3.29Å; N406-S408 PolarHBondContact O-N 3.48Å; N406-S408 WeakPolarHBondContact OD1-CB 3.49Å; N406-S408 PolarHBondContact OD1-N 3.16Å; N406-L409 HydrophobicContact CB-CB 4.3Å; N406-L409 PolarHBondContact O-N 3.34Å; N406-L409 PolarHBondContact OD1-N 3.32Å; N406-L409 VanDerWaalsContact OD1-N 3.1Å; N406-R410 VanDerWaalsContact O-CA 3.31Å; N406-R410 WeakPolarHBondContact O-CA 3.48Å; N406-R410 PolarHBondContact O-N 2.83Å; N406-Q411 WeakPolarHBondContact CB-O 3.21Å; N406-Q411 PolarHBondContact N-O 3.05Å; N406-Q411 PolarHBondContact O-N 2.85Å
407	R	93.3	Very high	95.5	Very high	139 Å²	139	61.2 Å²	61.2	53%	0.525	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-36.3	-178.3	-66.1	-174.3	-176.1	-153.8	4.3	113	G387 R410	G387-R407 PolarHBondContact O-NH2 3.08Å; R407-R410 WeakPolarHBondContact O-CG 3.32Å; R407-R410 PolarHBondContact O-N 3.42Å
408	S	94.2	Very high	95.9	Very high	116 Å²	116	57.4 Å²	57.4	81%	0.811	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-40.3	-179.3	-52.1	0	0	0	0	112.2	N406	N406-S408 VanDerWaalsContact C-N 3.29Å; N406-S408 PolarHBondContact O-N 3.48Å; N406-S408 WeakPolarHBondContact OD1-CB 3.49Å; N406-S408 PolarHBondContact OD1-N 3.16Å
409	L	94.9	Very high	95.9	Very high	114 Å²	114	58.9 Å²	58.9	60%	0.597	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.9	178.1	-62.1	-179.8	0	0	0	112.9	N406 Q411	N406-L409 HydrophobicContact CB-CB 4.3Å; N406-L409 PolarHBondContact O-N 3.34Å; N406-L409 PolarHBondContact OD1-N 3.32Å; N406-L409 VanDerWaalsContact OD1-N 3.1Å; L409-Q411 HydrophobicContact CB-CB 4.35Å; L409-Q411 WeakPolarHBondContact O-CG 3.4Å; L409-Q411 PolarHBondContact O-N 3.44Å
410	R	95.1	Very high	95.5	Very high	106 Å²	106	60.3 Å²	60.3	40%	0.4	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	45.4	-168.9	-66.2	-178.9	150.1	-157.9	-12.9	111.6	E341 H368 W405 N406 R407	E341-R410 IonicContact OE2-CZ 3.43Å; E341-R410 IonicContact OE2-NH1 2.8Å; E341-R410 IonicContact OE2-NH2 3.87Å; H368-R410 PolarHBondContact CE1-O 3.38Å; H368-R410 PolarHBondContact NE2-O 3.24Å; W405-R410 HydrophobicContact CH2-CB 3.98Å; W405-R410 WeakPolarHBondContact CH2-O 3.26Å; W405-R410 VanDerWaalsContact CZ2-CA 3.5Å; W405-R410 HydrophobicContact CZ2-CB 3.9Å; W405-R410 HydrophobicContact CZ2-CG 4.3Å; W405-R410 WeakPolarHBondContact CZ3-O 3.46Å; N406-R410 VanDerWaalsContact O-CA 3.31Å; N406-R410 WeakPolarHBondContact O-CA 3.48Å; N406-R410 PolarHBondContact O-N 2.83Å; R407-R410 WeakPolarHBondContact O-CG 3.32Å; R407-R410 PolarHBondContact O-N 3.42Å
411	Q	96.9	Very high	95	Very high	90 Å²	90	60.7 Å²	60.7	42%	0.421	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.3	-178	-75.2	-179.5	-11	0	0	110.7	N406 L409	N406-Q411 WeakPolarHBondContact CB-O 3.21Å; N406-Q411 PolarHBondContact N-O 3.05Å; N406-Q411 PolarHBondContact O-N 2.85Å; L409-Q411 HydrophobicContact CB-CB 4.35Å; L409-Q411 WeakPolarHBondContact O-CG 3.4Å; L409-Q411 PolarHBondContact O-N 3.44Å
412	F	98.1	Very high	94.5	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.2	170.1	-79.9	-78.6	0	0	0	110.7	F336 L338 I357 Q369 L371 F382 L391 Y403 Q404 W405	F336-F412 HydrophobicContact CE2-CE2 4.03Å; F336-F412 HydrophobicContact CE2-CZ 4.28Å; F336-F412 HydrophobicContact CZ-CE2 4.34Å; L338-F412 HydrophobicContact CD1-CE2 3.69Å; L338-F412 HydrophobicContact CD1-CZ 3.8Å; L338-F412 HydrophobicContact CD2-CZ 4.44Å; I357-F412 HydrophobicContact CD1-CD2 3.46Å; I357-F412 VanDerWaalsContact CD1-CD2 3.46Å; I357-F412 HydrophobicContact CD1-CE2 3.95Å; I357-F412 HydrophobicContact CD1-CG 4.36Å; Q369-F412 PolarHBondContact NE2-O 3.41Å; L371-F412 HydrophobicContact CD1-CB 4.46Å; L371-F412 HydrophobicContact CD2-CB 4.28Å; F382-F412 HydrophobicContact CE2-CZ 4.47Å; L391-F412 HydrophobicContact CB-CD1 4.34Å; L391-F412 HydrophobicContact CB-CE1 4.21Å; L391-F412 HydrophobicContact CD1-CD1 4Å; L391-F412 HydrophobicContact CD1-CD2 3.63Å; L391-F412 HydrophobicContact CD1-CE1 3.85Å; L391-F412 HydrophobicContact CD1-CE2 3.43Å; L391-F412 VanDerWaalsContact CD1-CE2 3.43Å; L391-F412 HydrophobicContact CD1-CG 3.9Å; L391-F412 HydrophobicContact CD1-CZ 3.55Å; L391-F412 HydrophobicContact CG-CD1 4.11Å; L391-F412 HydrophobicContact CG-CD2 4.5Å; L391-F412 HydrophobicContact CG-CE1 3.65Å; L391-F412 HydrophobicContact CG-CE2 4.06Å; L391-F412 HydrophobicContact CG-CZ 3.61Å; Y403-F412 HydrophobicContact CD1-CB 4.39Å; Q404-F412 WeakPolarHBondContact O-CA 3.28Å; W405-F412 HydrophobicContact CB-CD1 4.28Å; W405-F412 HydrophobicContact CB-CE1 3.88Å; W405-F412 HydrophobicContact CB-CZ 4.28Å; W405-F412 HydrophobicContact CE3-CD1 4.38Å; W405-F412 AromaticContact CE3-CD2 3.59Å; W405-F412 HydrophobicContact CE3-CD2 3.59Å; W405-F412 HydrophobicContact CE3-CE1 4.33Å; W405-F412 AromaticContact CE3-CE2 3.55Å; W405-F412 HydrophobicContact CE3-CE2 3.55Å; W405-F412 HydrophobicContact CE3-CG 4.03Å; W405-F412 AromaticContact CE3-CZ 3.94Å; W405-F412 HydrophobicContact CE3-CZ 3.94Å; W405-F412 AromaticContact CZ3-CD2 3.85Å; W405-F412 HydrophobicContact CZ3-CD2 3.85Å; W405-F412 AromaticContact CZ3-CE2 3.88Å; W405-F412 HydrophobicContact CZ3-CE2 3.88Å
413	A	97.8	Very high	94.2	Very high	48 Å²	48	65.6 Å²	65.6	40%	0.397	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.8	173.4	0	0	0	0	0	110.1	Y403 Q404 H415	Y403-A413 CarbonylContact C-O 3.5Å; Y403-A413 VanDerWaalsContact CA-O 3.26Å; Y403-A413 WeakPolarHBondContact CA-O 3.23Å; Q404-A413 PolarHBondContact N-O 2.75Å; Q404-A413 PolarHBondContact O-N 3.46Å; A413-H415 PolarHBondContact O-N 2.97Å
414	F	97.4	Very high	94.1	Very high	122 Å²	122	64.5 Å²	64.5	54%	0.535	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	131.8	172.3	173.6	-90.4	0	0	0	109.7	V401 Y403 Q417	V401-F414 HydrophobicContact CG1-CD2 3.59Å; V401-F414 HydrophobicContact CG1-CE2 3.61Å; Y403-F414 HydrophobicContact CD1-CB 4.5Å; Y403-F414 HydrophobicContact CE1-CB 4.25Å; F414-Q417 HydrophobicContact CE2-CG 4.03Å; F414-Q417 HydrophobicContact CZ-CG 4.06Å
415	H	95.4	Very high	94	Very high	83 Å²	83	64.1 Å²	64.1	38%	0.384	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-54.6	-178.9	-179.6	59.8	0	0	0	111.9	R390 V402 Q404 A413	R390-H415 PolarHBondContact NH2-NE2 3.25Å; V402-H415 WeakPolarHBondContact O-CA 3.45Å; V402-H415 WeakPolarHBondContact O-CB 3.49Å; V402-H415 PolarHBondContact O-N 3.31Å; Q404-H415 HydrophobicContact CB-CB 3.91Å; A413-H415 PolarHBondContact O-N 2.97Å
416	S	94.9	Very high	94	Very high	43 Å²	43	64.5 Å²	64.5	30%	0.301	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	179	-176.5	63.3	0	0	0	0	112.3	V402	V402-S416 PolarHBondContact N-O 2.97Å; V402-S416 PolarHBondContact O-N 3.41Å
417	Q	95.1	Very high	94	Very high	90 Å²	90	61.9 Å²	61.9	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.5	170.1	-69.3	179.9	-30.8	0	0	109.9	P399 P400 V401 F414 T419	P399-Q417 HydrophobicContact CG-CB 4.48Å; P400-Q417 WeakPolarHBondContact O-CA 3.43Å; V401-Q417 HydrophobicContact CG2-CG 4.3Å; F414-Q417 HydrophobicContact CE2-CG 4.03Å; F414-Q417 HydrophobicContact CZ-CG 4.06Å; Q417-T419 HydrophobicContact CB-CG2 4.25Å
418	I	94.8	Very high	94.3	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.015	31%	0.305	C	S	.	.			trans	-96.6	94.9	174.6	-56.8	-179.6	0	0	0	107.1	I392 P399 P400 V402 E420 L438 L440 L450 Y457	I392-I418 HydrophobicContact CD1-CD1 4.17Å; I392-I418 HydrophobicContact CG2-CD1 4.19Å; P399-I418 VanDerWaalsContact CB-O 3.31Å; P399-I418 WeakPolarHBondContact CB-O 3.3Å; P400-I418 HydrophobicContact CB-CB 4.17Å; P400-I418 HydrophobicContact CB-CD1 4.32Å; P400-I418 HydrophobicContact CB-CG1 4.48Å; P400-I418 WeakPolarHBondContact CD-O 3.16Å; P400-I418 HydrophobicContact CG-CB 4.39Å; P400-I418 PolarHBondContact O-N 3.28Å; V402-I418 HydrophobicContact CG2-CD1 3.93Å; V402-I418 HydrophobicContact CG2-CG1 3.77Å; I418-E420 VanDerWaalsContact C-OE2 3.29Å; I418-E420 WeakPolarHBondContact CG2-OE2 3.36Å; I418-L438 HydrophobicContact CD1-CD1 3.67Å; I418-L440 HydrophobicContact CG2-CD1 3.87Å; I418-L440 HydrophobicContact CG2-CD2 4.5Å; I418-L450 HydrophobicContact CG2-CD1 3.59Å; I418-Y457 HydrophobicContact CD1-CD2 4.19Å; I418-Y457 HydrophobicContact CD1-CE2 4.05Å; I418-Y457 HydrophobicContact CG1-CD2 4.24Å; I418-Y457 HydrophobicContact CG1-CE2 4.39Å
419	T	91.6	Very high	94.4	Very high	105 Å²	105	53.7 Å²	53.7	64%	0.644	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.8	-168	55.8	0	0	0	0	114	Q417 T421	Q417-T419 HydrophobicContact CB-CG2 4.25Å; T419-T421 PolarHBondContact O-N 2.99Å; T419-T421 VanDerWaalsContact O-N 3.15Å
420	E	86.3	Confident	94.6	Very high	55 Å²	55	48.7 Å²	48.7	26%	0.257	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25	-178.8	-66.9	79.1	179	0	0	112.3	I418 K448 L450	I418-E420 VanDerWaalsContact C-OE2 3.29Å; I418-E420 WeakPolarHBondContact CG2-OE2 3.36Å; E420-K448 WeakPolarHBondContact O-CE 3.3Å; E420-K448 PolarHBondContact O-NZ 3.18Å; E420-L450 HydrophobicContact CB-CD1 4.16Å; E420-L450 HydrophobicContact CB-CD2 4.14Å; E420-L450 HydrophobicContact CG-CD1 4.07Å; E420-L450 HydrophobicContact CG-CD2 4.09Å
421	T	86.2	Confident	94.6	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.043	25%	0.25	C	C	.	.			trans	-151.9	130.9	179.2	-63.3	0	0	0	0	111.9	P400 T419 V424 R442 K448	P400-T421 WeakPolarHBondContact CD-O 3.29Å; T419-T421 PolarHBondContact O-N 2.99Å; T419-T421 VanDerWaalsContact O-N 3.15Å; T421-V424 HydrophobicContact CG2-CG2 3.6Å; T421-V424 WeakPolarHBondContact O-CG2 3.41Å; T421-R442 VanDerWaalsContact CG2-CD 3.42Å; T421-R442 HydrophobicContact CG2-CG 3.68Å; T421-K448 WeakPolarHBondContact OG1-CD 3.28Å; T421-K448 WeakPolarHBondContact OG1-CE 3.18Å; T421-K448 WeakPolarHBondContact OG1-CG 3.24Å
422	A	86.8	Confident	94.6	Very high	47 Å²	47	44.7 Å²	44.7	39%	0.388	23%	0.234	S	C	.	.	S	Bend	trans	-94.6	164.2	166.6	0	0	0	0	0	111.1	V424 R442	A422-V424 VanDerWaalsContact C-N 3.25Å; A422-V424 PolarHBondContact O-N 3.24Å; A422-R442 PolarHBondContact O-NE 2.96Å
423	D	90.6	Very high	94.3	Very high	60 Å²	60	53 Å²	53	32%	0.321	27%	0.266	S	S	.	.	S	Bend	trans	59.2	35.9	-178.3	-65.2	-59.7	0	0	0	113.3	S397 Q398 Q425	S397-D423 WeakPolarHBondContact CA-OD1 3.45Å; S397-D423 PolarHBondContact N-OD1 3.16Å; S397-D423 PolarHBondContact OG-OD1 2.88Å; Q398-D423 PolarHBondContact O-N 3.26Å; D423-Q425 PolarHBondContact O-N 2.87Å
424	V	95.9	Very high	94	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.2	172.5	178.7	0	0	0	0	108.3	S394 P400 T421 A422 M426 V427 L440 T441	S394-V424 WeakPolarHBondContact CB-O 3.33Å; P400-V424 HydrophobicContact CG-CB 3.71Å; P400-V424 HydrophobicContact CG-CG1 3.99Å; P400-V424 HydrophobicContact CG-CG2 3.63Å; T421-V424 HydrophobicContact CG2-CG2 3.6Å; T421-V424 WeakPolarHBondContact O-CG2 3.41Å; A422-V424 VanDerWaalsContact C-N 3.25Å; A422-V424 PolarHBondContact O-N 3.24Å; V424-M426 WeakPolarHBondContact CG1-O 3.1Å; V424-V427 HydrophobicContact CG1-CG2 3.8Å; V424-L440 HydrophobicContact CG1-CB 4.19Å; V424-L440 HydrophobicContact CG1-CD2 4.25Å; V424-L440 HydrophobicContact CG2-CB 4.09Å; V424-L440 HydrophobicContact CG2-CD1 4.43Å; V424-T441 CarbonylContact C-O 3.48Å; V424-T441 WeakPolarHBondContact CA-O 3.45Å
425	Q	94.9	Very high	93.8	Very high	46 Å²	46	56.8 Å²	56.8	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-40.5	176.1	-68.9	-60.8	-46.2	0	0	111.6	T378 D423 T441 F443	T378-Q425 WeakPolarHBondContact CB-O 3.49Å; T378-Q425 PolarHBondContact OG1-O 3.4Å; D423-Q425 PolarHBondContact O-N 2.87Å; Q425-T441 PolarHBondContact N-O 3.49Å; Q425-F443 HydrophobicContact CG-CB 4.05Å
426	M	96.9	Very high	93.9	Very high	19 Å²	19	52.9 Å²	52.9	9%	0.094	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.4	-176.6	-175.6	156.2	77.2	0	0	111.1	H379 V424 K428 T441 V471	H379-M426 HydrophobicContact CB-CB 4.4Å; H379-M426 HydrophobicContact CB-CG 4.24Å; H379-M426 PolarHBondContact CD2-SD 2.73Å; V424-M426 WeakPolarHBondContact CG1-O 3.1Å; M426-K428 HydrophobicContact CE-CG 4.29Å; M426-K428 HydrophobicContact CG-CG 4.33Å; M426-K428 HydrophobicContact SD-CG 4.49Å; M426-T441 PolarHBondContact N-O 3.42Å; M426-T441 PolarHBondContact O-N 2.02Å; M426-V471 HydrophobicContact CE-CB 4.17Å; M426-V471 HydrophobicContact CE-CG1 3.58Å; M426-V471 WeakPolarHBondContact CE-O 3.48Å
427	V	97.8	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.9	168	179.9	0	0	0	0	108.4	H379 E381 I392 S394 P400 V424 L438 C439 L440	H379-V427 PolarHBondContact CE1-O 2.96Å; H379-V427 PolarHBondContact ND1-O 3.33Å; E381-V427 HydrophobicContact CB-CB 4.44Å; I392-V427 HydrophobicContact CD1-CG1 4.2Å; I392-V427 HydrophobicContact CG2-CB 4.29Å; I392-V427 HydrophobicContact CG2-CG1 4.3Å; I392-V427 HydrophobicContact CG2-CG2 4.01Å; S394-V427 WeakPolarHBondContact OG-CG2 3.27Å; S394-V427 PolarHBondContact OG-N 3.24Å; P400-V427 HydrophobicContact CB-CG2 4.23Å; P400-V427 HydrophobicContact CG-CG2 4.1Å; V424-V427 HydrophobicContact CG1-CG2 3.8Å; V427-L438 HydrophobicContact CG1-CB 4.43Å; V427-L438 HydrophobicContact CG1-CD1 4.35Å; V427-L438 HydrophobicContact CG1-CD2 4.13Å; V427-C439 WeakPolarHBondContact CA-O 3.4Å; V427-L440 HydrophobicContact CB-CD2 4.31Å; V427-L440 HydrophobicContact CG1-CD2 4.1Å; V427-L440 HydrophobicContact CG2-CD2 3.38Å
428	K	98.2	Very high	94.2	Very high	32 Å²	32	46.8 Å²	46.8	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.5	166.6	-76.3	-74.1	164.9	-154.4	0	109.8	E334 H379 E381 M426 C439 V471 P473	E334-K428 IonicContact OE2-NZ 2.69Å; H379-K428 WeakPolarHBondContact NE2-CE 3.32Å; H379-K428 PolarHBondContact NE2-NZ 3.48Å; E381-K428 WeakPolarHBondContact OE1-CA 3.02Å; E381-K428 WeakPolarHBondContact OE2-CD 3.4Å; E381-K428 IonicContact OE2-NZ 3.3Å; E381-K428 PolarHBondContact OE2-NZ 3.44Å; M426-K428 HydrophobicContact CE-CG 4.29Å; M426-K428 HydrophobicContact CG-CG 4.33Å; M426-K428 HydrophobicContact SD-CG 4.49Å; K428-C439 PolarHBondContact N-O 3.12Å; K428-C439 VanDerWaalsContact N-O 3.1Å; K428-C439 PolarHBondContact O-N 3.11Å; K428-V471 HydrophobicContact CB-CG1 4.15Å; K428-V471 HydrophobicContact CG-CG1 4.08Å; K428-P473 HydrophobicContact CB-CG 4Å
429	H	98	Very high	94.4	Very high	52 Å²	52	46.6 Å²	46.6	24%	0.241	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	156.6	176	80.1	-80.5	0	0	0	112.1	E381 F382 W431 L436 Y437 L438 P473	E381-H429 IonicContact OE1-CE1 2.98Å; E381-H429 IonicContact OE1-CG 2.7Å; E381-H429 PolarHBondContact OE1-N 2.88Å; E381-H429 IonicContact OE1-ND1 3.84Å; E381-H429 PolarHBondContact OE1-ND1 3.07Å; F382-H429 PolarHBondContact O-CE1 2.84Å; H429-W431 AromaticContact CD2-CD1 3.87Å; H429-W431 AromaticContact CD2-NE1 3.32Å; H429-W431 PolarHBondContact CD2-NE1 3.4Å; H429-W431 VanDerWaalsContact CD2-NE1 3.32Å; H429-W431 AromaticContact NE2-NE1 3.56Å; H429-L436 HydrophobicContact CB-CD1 3.94Å; H429-Y437 VanDerWaalsContact CA-O 3.31Å; H429-Y437 WeakPolarHBondContact CA-O 3.27Å; H429-L438 HydrophobicContact CB-CD2 3.54Å; H429-P473 WeakPolarHBondContact O-CG 3.41Å
430	F	97.7	Very high	94.6	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	164.1	170.8	67.7	-81.7	0	0	0	111	V432 Y437 I449 P473 Q480 W496 F503	F430-V432 HydrophobicContact CD2-CG2 3.93Å; F430-V432 HydrophobicContact CE2-CG2 3.86Å; F430-Y437 HydrophobicContact CD2-CD2 4.32Å; F430-Y437 HydrophobicContact CD2-CG 4.48Å; F430-Y437 HydrophobicContact CE1-CG 4.29Å; F430-Y437 AromaticContact CE2-CD2 3.85Å; F430-Y437 HydrophobicContact CE2-CD2 3.85Å; F430-Y437 AromaticContact CE2-CG 3.78Å; F430-Y437 HydrophobicContact CE2-CG 3.78Å; F430-Y437 HydrophobicContact CZ-CD1 4.23Å; F430-Y437 HydrophobicContact CZ-CD2 4.22Å; F430-Y437 AromaticContact CZ-CG 3.65Å; F430-Y437 HydrophobicContact CZ-CG 3.65Å; F430-Y437 PolarHBondContact N-O 3.28Å; F430-Y437 PolarHBondContact O-N 3.01Å; F430-I449 HydrophobicContact CE1-CG2 4.17Å; F430-I449 HydrophobicContact CZ-CG2 3.97Å; F430-P473 HydrophobicContact CB-CB 3.6Å; F430-P473 HydrophobicContact CB-CG 3.88Å; F430-P473 HydrophobicContact CD1-CB 3.97Å; F430-P473 HydrophobicContact CD1-CG 4.29Å; F430-P473 HydrophobicContact CG-CB 3.92Å; F430-P473 HydrophobicContact CG-CG 4.45Å; F430-Q480 HydrophobicContact CD2-CG 4.32Å; F430-W496 HydrophobicContact CE2-CE3 4.24Å; F430-W496 HydrophobicContact CE2-CZ3 4.07Å; F430-W496 HydrophobicContact CZ-CZ3 4.09Å; F430-F503 HydrophobicContact CE1-CE2 4.01Å; F430-F503 AromaticContact CE2-CE2 3.89Å; F430-F503 HydrophobicContact CE2-CE2 3.89Å; F430-F503 AromaticContact CE2-CZ 3.95Å; F430-F503 HydrophobicContact CE2-CZ 3.95Å; F430-F503 AromaticContact CZ-CE2 3.45Å; F430-F503 HydrophobicContact CZ-CE2 3.45Å; F430-F503 VanDerWaalsContact CZ-CE2 3.45Å; F430-F503 AromaticContact CZ-CZ 3.98Å; F430-F503 HydrophobicContact CZ-CZ 3.98Å
431	W	96.3	Very high	95.2	Very high	96 Å²	96	39 Å²	39	36%	0.364	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.1	-175.5	-63.8	89.8	0	0	0	110.6	D384 V385 H429 K434 V435 L436	D384-W431 WeakPolarHBondContact O-CZ2 3.37Å; V385-W431 HydrophobicContact CG1-CH2 4.34Å; H429-W431 AromaticContact CD2-CD1 3.87Å; H429-W431 AromaticContact CD2-NE1 3.32Å; H429-W431 PolarHBondContact CD2-NE1 3.4Å; H429-W431 VanDerWaalsContact CD2-NE1 3.32Å; H429-W431 AromaticContact NE2-NE1 3.56Å; W431-K434 WeakPolarHBondContact CZ3-O 3.41Å; W431-V435 WeakPolarHBondContact CA-O 3.23Å; W431-L436 HydrophobicContact CD2-CB 4.38Å; W431-L436 HydrophobicContact CD2-CD1 4.27Å; W431-L436 HydrophobicContact CE3-CB 3.91Å; W431-L436 HydrophobicContact CH2-CB 3.74Å; W431-L436 HydrophobicContact CH2-CD1 4.22Å; W431-L436 HydrophobicContact CH2-CG 4.4Å; W431-L436 HydrophobicContact CZ2-CB 4.19Å; W431-L436 HydrophobicContact CZ2-CD1 3.78Å; W431-L436 HydrophobicContact CZ2-CG 4.44Å; W431-L436 HydrophobicContact CZ3-CB 3.59Å
432	V	95.5	Very high	95.6	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.097	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.3	169.5	178.9	0	0	0	0	108.1	F430 K434 V435 Y437 Q480 W496	F430-V432 HydrophobicContact CD2-CG2 3.93Å; F430-V432 HydrophobicContact CE2-CG2 3.86Å; V432-K434 PolarHBondContact O-N 3.15Å; V432-K434 VanDerWaalsContact O-N 3.16Å; V432-V435 PolarHBondContact N-O 2.8Å; V432-V435 WeakPolarHBondContact O-CB 3.16Å; V432-V435 PolarHBondContact O-N 2.97Å; V432-Y437 HydrophobicContact CB-CD2 4.43Å; V432-Y437 HydrophobicContact CB-CE2 3.9Å; V432-Y437 HydrophobicContact CG2-CE2 4.37Å; V432-Q480 HydrophobicContact CG2-CG 4.04Å; V432-W496 HydrophobicContact CB-CZ2 4.45Å; V432-W496 HydrophobicContact CG1-CZ2 4.4Å; V432-W496 HydrophobicContact CG2-CD2 4.17Å; V432-W496 HydrophobicContact CG2-CG 4.41Å; V432-W496 HydrophobicContact CG2-CZ2 4.33Å
433	R	91.7	Very high	96.1	Very high	181 Å²	181	43 Å²	43	68%	0.683	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	42.5	-179.9	-58.8	176.8	-176.7	-165.9	-2.4	112.8	V435 D498	R433-V435 PolarHBondContact O-N 3.01Å; R433-D498 IonicContact CZ-OD1 3.61Å; R433-D498 IonicContact CZ-OD2 3.22Å; R433-D498 IonicContact NE-OD1 3.74Å; R433-D498 IonicContact NE-OD2 3.43Å; R433-D498 IonicContact NH2-OD1 2.75Å; R433-D498 IonicContact NH2-OD2 2.67Å; R433-D498 PolarHBondContact NH2-OD2 3.08Å
434	K	91.4	Very high	96.3	Very high	195 Å²	195	45 Å²	45	85%	0.848	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	9.2	-176.9	-51.8	178.6	178.1	-179.4	0	115.6	W431 V432	W431-K434 WeakPolarHBondContact CZ3-O 3.41Å; V432-K434 PolarHBondContact O-N 3.15Å; V432-K434 VanDerWaalsContact O-N 3.16Å
435	V	94.9	Very high	96.2	Very high	53 Å²	53	46.4 Å²	46.4	32%	0.321	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131	171	-178.2	0	0	0	0	108.7	W431 V432 R433 Y437 R451	W431-V435 WeakPolarHBondContact CA-O 3.23Å; V432-V435 PolarHBondContact N-O 2.8Å; V432-V435 WeakPolarHBondContact O-CB 3.16Å; V432-V435 PolarHBondContact O-N 2.97Å; R433-V435 PolarHBondContact O-N 3.01Å; V435-Y437 HydrophobicContact CB-CE2 3.73Å; V435-Y437 HydrophobicContact CG1-CD2 4.34Å; V435-Y437 HydrophobicContact CG1-CE2 3.63Å; V435-Y437 VanDerWaalsContact O-CD2 3.26Å; V435-Y437 WeakPolarHBondContact O-CD2 3.47Å; V435-Y437 WeakPolarHBondContact O-CE2 3.42Å; V435-R451 HydrophobicContact CG1-CG 3.78Å
436	L	96.9	Very high	96.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.5	177.4	173.3	69.5	0	0	0	110.8	L383 V385 H429 W431 W452 Y457	L383-L436 HydrophobicContact CD1-CD1 4.08Å; L383-L436 HydrophobicContact CD1-CD2 3.7Å; V385-L436 HydrophobicContact CB-CD2 4.3Å; V385-L436 HydrophobicContact CG1-CD2 3.86Å; V385-L436 HydrophobicContact CG2-CD2 3.41Å; V385-L436 VanDerWaalsContact CG2-CD2 3.41Å; H429-L436 HydrophobicContact CB-CD1 3.94Å; W431-L436 HydrophobicContact CD2-CB 4.38Å; W431-L436 HydrophobicContact CD2-CD1 4.27Å; W431-L436 HydrophobicContact CE3-CB 3.91Å; W431-L436 HydrophobicContact CH2-CB 3.74Å; W431-L436 HydrophobicContact CH2-CD1 4.22Å; W431-L436 HydrophobicContact CH2-CG 4.4Å; W431-L436 HydrophobicContact CZ2-CB 4.19Å; W431-L436 HydrophobicContact CZ2-CD1 3.78Å; W431-L436 HydrophobicContact CZ2-CG 4.44Å; W431-L436 HydrophobicContact CZ3-CB 3.59Å; L436-W452 HydrophobicContact CB-CB 3.79Å; L436-W452 HydrophobicContact CB-CG 4.4Å; L436-W452 HydrophobicContact CD2-CB 3.96Å; L436-W452 HydrophobicContact CD2-CG 4.11Å; L436-W452 HydrophobicContact CG-CB 4.1Å; L436-W452 WeakPolarHBondContact O-CB 3.23Å; L436-W452 PolarHBondContact O-N 2.95Å; L436-Y457 HydrophobicContact CD2-CE1 4.19Å
437	Y	97.9	Very high	96.2	Very high	4 Å²	4	47 Å²	47	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.8	170.5	-61.1	-97.2	0	0	0	110.7	H429 F430 V432 V435 I449 L450 R451 I460 W496	H429-Y437 VanDerWaalsContact CA-O 3.31Å; H429-Y437 WeakPolarHBondContact CA-O 3.27Å; F430-Y437 HydrophobicContact CD2-CD2 4.32Å; F430-Y437 HydrophobicContact CD2-CG 4.48Å; F430-Y437 HydrophobicContact CE1-CG 4.29Å; F430-Y437 AromaticContact CE2-CD2 3.85Å; F430-Y437 HydrophobicContact CE2-CD2 3.85Å; F430-Y437 AromaticContact CE2-CG 3.78Å; F430-Y437 HydrophobicContact CE2-CG 3.78Å; F430-Y437 HydrophobicContact CZ-CD1 4.23Å; F430-Y437 HydrophobicContact CZ-CD2 4.22Å; F430-Y437 AromaticContact CZ-CG 3.65Å; F430-Y437 HydrophobicContact CZ-CG 3.65Å; F430-Y437 PolarHBondContact N-O 3.28Å; F430-Y437 PolarHBondContact O-N 3.01Å; V432-Y437 HydrophobicContact CB-CD2 4.43Å; V432-Y437 HydrophobicContact CB-CE2 3.9Å; V432-Y437 HydrophobicContact CG2-CE2 4.37Å; V435-Y437 HydrophobicContact CB-CE2 3.73Å; V435-Y437 HydrophobicContact CG1-CD2 4.34Å; V435-Y437 HydrophobicContact CG1-CE2 3.63Å; V435-Y437 VanDerWaalsContact O-CD2 3.26Å; V435-Y437 WeakPolarHBondContact O-CD2 3.47Å; V435-Y437 WeakPolarHBondContact O-CE2 3.42Å; Y437-I449 HydrophobicContact CD1-CG2 4.33Å; Y437-L450 CarbonylContact C-O 3.56Å; Y437-L450 WeakPolarHBondContact CA-O 3.27Å; Y437-L450 WeakPolarHBondContact CB-O 3.27Å; Y437-R451 HydrophobicContact CD1-CB 3.78Å; Y437-R451 HydrophobicContact CD1-CG 4.05Å; Y437-R451 HydrophobicContact CE1-CB 3.65Å; Y437-R451 HydrophobicContact CE1-CG 3.58Å; Y437-I460 HydrophobicContact CD1-CD1 3.62Å; Y437-I460 HydrophobicContact CE1-CD1 3.47Å; Y437-I460 VanDerWaalsContact CE1-CD1 3.47Å; Y437-W496 HydrophobicContact CD1-CH2 4.2Å; Y437-W496 AromaticContact CE1-CH2 3.68Å; Y437-W496 HydrophobicContact CE1-CH2 3.68Å; Y437-W496 HydrophobicContact CE1-CZ2 4.34Å; Y437-W496 HydrophobicContact CE2-CH2 4.39Å; Y437-W496 HydrophobicContact CE2-CZ2 4.49Å; Y437-W496 AromaticContact CZ-CH2 3.79Å; Y437-W496 AromaticContact CZ-CZ2 3.99Å
438	L	98	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.9	171.4	-61.7	-175.9	0	0	0	109.9	L383 I392 I418 V427 H429 I449 L450 Y457	L383-L438 HydrophobicContact CD1-CD2 4.48Å; I392-L438 HydrophobicContact CD1-CD1 3.79Å; I392-L438 HydrophobicContact CD1-CD2 4.12Å; I418-L438 HydrophobicContact CD1-CD1 3.67Å; V427-L438 HydrophobicContact CG1-CB 4.43Å; V427-L438 HydrophobicContact CG1-CD1 4.35Å; V427-L438 HydrophobicContact CG1-CD2 4.13Å; H429-L438 HydrophobicContact CB-CD2 3.54Å; L438-I449 CarbonylContact O-C 3.58Å; L438-I449 WeakPolarHBondContact O-CA 3.45Å; L438-L450 HydrophobicContact CB-CB 4.43Å; L438-L450 PolarHBondContact N-O 3.14Å; L438-L450 PolarHBondContact O-N 3.3Å; L438-Y457 HydrophobicContact CD1-CD1 3.89Å; L438-Y457 HydrophobicContact CD1-CD2 4.3Å; L438-Y457 HydrophobicContact CD1-CE1 3.4Å; L438-Y457 VanDerWaalsContact CD1-CE1 3.4Å; L438-Y457 HydrophobicContact CD1-CE2 3.86Å; L438-Y457 HydrophobicContact CD1-CG 4.31Å; L438-Y457 HydrophobicContact CD2-CE1 4.5Å; L438-Y457 HydrophobicContact CG-CD1 4.13Å; L438-Y457 HydrophobicContact CG-CE1 3.58Å
439	C	98.1	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.1	164	-172.2	0	0	0	0	109.4	V427 K428 K448 I449 V471 L482	V427-C439 WeakPolarHBondContact CA-O 3.4Å; K428-C439 PolarHBondContact N-O 3.12Å; K428-C439 VanDerWaalsContact N-O 3.1Å; K428-C439 PolarHBondContact O-N 3.11Å; C439-K448 WeakPolarHBondContact CA-O 3.37Å; C439-I449 HydrophobicContact CB-CD1 3.81Å; C439-I449 VanDerWaalsContact SG-CD1 3.58Å; C439-V471 HydrophobicContact CB-CG2 4.43Å; C439-L482 HydrophobicContact CB-CD1 4.29Å
440	L	97.8	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	109.2	173.9	-58.5	-177.7	0	0	0	109	P400 I418 V424 V427 S447 K448 L450	P400-L440 HydrophobicContact CG-CD2 4.12Å; I418-L440 HydrophobicContact CG2-CD1 3.87Å; I418-L440 HydrophobicContact CG2-CD2 4.5Å; V424-L440 HydrophobicContact CG1-CB 4.19Å; V424-L440 HydrophobicContact CG1-CD2 4.25Å; V424-L440 HydrophobicContact CG2-CB 4.09Å; V424-L440 HydrophobicContact CG2-CD1 4.43Å; V427-L440 HydrophobicContact CB-CD2 4.31Å; V427-L440 HydrophobicContact CG1-CD2 4.1Å; V427-L440 HydrophobicContact CG2-CD2 3.38Å; L440-S447 CarbonylContact O-C 3.57Å; L440-S447 WeakPolarHBondContact O-CA 3.49Å; L440-S447 WeakPolarHBondContact O-CB 3.37Å; L440-K448 HydrophobicContact CB-CB 4.43Å; L440-K448 PolarHBondContact N-O 3.07Å; L440-K448 PolarHBondContact O-N 3.5Å; L440-L450 HydrophobicContact CD1-CD1 3.52Å; L440-L450 HydrophobicContact CD1-CG 4Å; L440-L450 HydrophobicContact CG-CD1 4.14Å; L440-L450 HydrophobicContact CG-CG 4.32Å
441	T	97.3	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.1	-177.2	-60.4	0	0	0	0	112.2	V424 Q425 M426 S447 V471 L484	V424-T441 CarbonylContact C-O 3.48Å; V424-T441 WeakPolarHBondContact CA-O 3.45Å; Q425-T441 PolarHBondContact N-O 3.49Å; M426-T441 PolarHBondContact N-O 3.42Å; M426-T441 PolarHBondContact O-N 2.02Å; T441-S447 VanDerWaalsContact CA-OG 3.27Å; T441-S447 WeakPolarHBondContact CA-OG 3.13Å; T441-V471 WeakPolarHBondContact OG1-CB 3.21Å; T441-V471 WeakPolarHBondContact OG1-CG1 3.34Å; T441-L484 HydrophobicContact CG2-CD1 3.94Å
442	R	96	Very high	96	Very high	73 Å²	73	44.4 Å²	44.4	28%	0.275	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	153	172.2	-60.5	-177.2	81.9	-170.7	-5.8	110.7	T421 A422 D446 S447 S465 S468	T421-R442 VanDerWaalsContact CG2-CD 3.42Å; T421-R442 HydrophobicContact CG2-CG 3.68Å; A422-R442 PolarHBondContact O-NE 2.96Å; R442-D446 WeakPolarHBondContact CD-O 2.99Å; R442-S447 PolarHBondContact N-OG 3.06Å; R442-S465 WeakPolarHBondContact O-CB 2.97Å; R442-S465 PolarHBondContact O-OG 3.24Å; R442-S468 WeakPolarHBondContact O-CB 3.13Å
443	F	95.9	Very high	95.9	Very high	66 Å²	66	47.8 Å²	47.8	29%	0.289	22%	0.22	S	C	.	.	S	Bend	trans	-65	-49.2	173.7	-175.9	-112.3	0	0	0	112.2	Q425 G467 S468 M469 F488	Q425-F443 HydrophobicContact CG-CB 4.05Å; F443-G467 VanDerWaalsContact CE2-CA 3.48Å; F443-G467 CarbonylContact O-C 3.54Å; F443-G467 WeakPolarHBondContact O-CA 3.37Å; F443-G467 PolarHBondContact O-N 3.27Å; F443-S468 WeakPolarHBondContact CA-O 3.28Å; F443-S468 PolarHBondContact O-N 3.36Å; F443-M469 HydrophobicContact CD2-CG 3.98Å; F443-M469 HydrophobicContact CD2-SD 3.48Å; F443-M469 WeakPolarHBondContact CD2-SD 3.27Å; F443-M469 HydrophobicContact CE2-CG 4.05Å; F443-M469 HydrophobicContact CE2-SD 3.88Å; F443-M469 HydrophobicContact CG-SD 4.49Å; F443-F488 HydrophobicContact CE1-CE2 4.21Å; F443-F488 HydrophobicContact CE1-CZ 4.11Å; F443-F488 HydrophobicContact CZ-CE2 4.1Å; F443-F488 AromaticContact CZ-CZ 3.74Å; F443-F488 HydrophobicContact CZ-CZ 3.74Å
444	I	94.3	Very high	95.6	Very high	100 Å²	100	40.8 Å²	40.8	51%	0.513	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.1	177.9	-67.5	167.9	0	0	0	108.6	F488	I444-F488 HydrophobicContact CD1-CE2 4.14Å; I444-F488 HydrophobicContact CG1-CE2 4.23Å
445	G	94.2	Very high	95.3	Very high	30 Å²	30	40.3 Å²	40.3	31%	0.309	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	100.4	-141.2	-177.3	0	0	0	0	0	109.7	S465	G445-S465 WeakPolarHBondContact O-CA 3.44Å; G445-S465 WeakPolarHBondContact O-CB 3.16Å; G445-S465 PolarHBondContact O-N 3.4Å
446	D	95.2	Very high	95	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.6	-179.1	-59.5	-39.6	0	0	0	111	R442 T462	R442-D446 WeakPolarHBondContact CD-O 2.99Å; D446-T462 HydrophobicContact CB-CG2 4.44Å
447	S	97.1	Very high	94.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	155.2	161.7	-69.9	0	0	0	0	108.9	L440 T441 R442 T462 L463 S465	L440-S447 CarbonylContact O-C 3.57Å; L440-S447 WeakPolarHBondContact O-CA 3.49Å; L440-S447 WeakPolarHBondContact O-CB 3.37Å; T441-S447 VanDerWaalsContact CA-OG 3.27Å; T441-S447 WeakPolarHBondContact CA-OG 3.13Å; R442-S447 PolarHBondContact N-OG 3.06Å; S447-T462 CarbonylContact O-C 3.56Å; S447-T462 WeakPolarHBondContact O-CA 3.17Å; S447-L463 PolarHBondContact N-O 2.95Å; S447-L463 PolarHBondContact O-N 2.81Å; S447-S465 VanDerWaalsContact CB-OG 3.3Å; S447-S465 WeakPolarHBondContact CB-OG 3.28Å; S447-S465 PolarHBondContact N-OG 3.33Å; S447-S465 PolarHBondContact OG-OG 2.86Å
448	K	97.8	Very high	94.7	Very high	38 Å²	38	47.7 Å²	47.7	17%	0.165	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.6	-173.7	-58.5	-158.9	179.7	-176	0	112.2	E420 T421 C439 L440 L450 E459 T462	E420-K448 WeakPolarHBondContact O-CE 3.3Å; E420-K448 PolarHBondContact O-NZ 3.18Å; T421-K448 WeakPolarHBondContact OG1-CD 3.28Å; T421-K448 WeakPolarHBondContact OG1-CE 3.18Å; T421-K448 WeakPolarHBondContact OG1-CG 3.24Å; C439-K448 WeakPolarHBondContact CA-O 3.37Å; L440-K448 HydrophobicContact CB-CB 4.43Å; L440-K448 PolarHBondContact N-O 3.07Å; L440-K448 PolarHBondContact O-N 3.5Å; K448-L450 HydrophobicContact CB-CD2 4.18Å; K448-E459 HydrophobicContact CD-CG 4.16Å; K448-E459 WeakPolarHBondContact CD-OE2 3.5Å; K448-E459 VanDerWaalsContact CE-OE2 3.31Å; K448-E459 WeakPolarHBondContact CE-OE2 3.45Å; K448-E459 IonicContact NZ-OE2 3.85Å; K448-E459 PolarHBondContact NZ-OE2 3.3Å; K448-T462 HydrophobicContact CG-CG2 4.45Å
449	I	98.3	Very high	94.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.4	166	-51.3	-61	0	0	0	107.8	F430 Y437 L438 C439 I460 Q461 L463 L482 F503	F430-I449 HydrophobicContact CE1-CG2 4.17Å; F430-I449 HydrophobicContact CZ-CG2 3.97Å; Y437-I449 HydrophobicContact CD1-CG2 4.33Å; L438-I449 CarbonylContact O-C 3.58Å; L438-I449 WeakPolarHBondContact O-CA 3.45Å; C439-I449 HydrophobicContact CB-CD1 3.81Å; C439-I449 VanDerWaalsContact SG-CD1 3.58Å; I449-I460 HydrophobicContact CB-CD1 4.38Å; I449-I460 HydrophobicContact CB-CG1 3.97Å; I449-I460 HydrophobicContact CG2-CD1 3.66Å; I449-I460 HydrophobicContact CG2-CG1 3.79Å; I449-I460 WeakPolarHBondContact O-CG1 3.17Å; I449-I460 PolarHBondContact O-N 3.13Å; I449-Q461 HydrophobicContact CB-CB 4.21Å; I449-Q461 HydrophobicContact CG1-CB 4.32Å; I449-Q461 PolarHBondContact N-O 2.69Å; I449-L463 HydrophobicContact CD1-CD1 3.97Å; I449-L463 HydrophobicContact CG1-CD1 4.1Å; I449-L463 HydrophobicContact CG1-CG 4.46Å; I449-L482 HydrophobicContact CD1-CD2 3.88Å; I449-F503 HydrophobicContact CD1-CD2 4.29Å; I449-F503 HydrophobicContact CD1-CE2 4.42Å; I449-F503 HydrophobicContact CG1-CD2 4.27Å
450	L	97.6	Very high	94.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.3	176.2	-49.1	-172.7	0	0	0	110.1	I418 E420 Y437 L438 L440 K448 Y457 V458 E459	I418-L450 HydrophobicContact CG2-CD1 3.59Å; E420-L450 HydrophobicContact CB-CD1 4.16Å; E420-L450 HydrophobicContact CB-CD2 4.14Å; E420-L450 HydrophobicContact CG-CD1 4.07Å; E420-L450 HydrophobicContact CG-CD2 4.09Å; Y437-L450 CarbonylContact C-O 3.56Å; Y437-L450 WeakPolarHBondContact CA-O 3.27Å; Y437-L450 WeakPolarHBondContact CB-O 3.27Å; L438-L450 HydrophobicContact CB-CB 4.43Å; L438-L450 PolarHBondContact N-O 3.14Å; L438-L450 PolarHBondContact O-N 3.3Å; L440-L450 HydrophobicContact CD1-CD1 3.52Å; L440-L450 HydrophobicContact CD1-CG 4Å; L440-L450 HydrophobicContact CG-CD1 4.14Å; L440-L450 HydrophobicContact CG-CG 4.32Å; K448-L450 HydrophobicContact CB-CD2 4.18Å; L450-Y457 HydrophobicContact CB-CD1 4.27Å; L450-Y457 HydrophobicContact CB-CG 4.47Å; L450-Y457 HydrophobicContact CD1-CG 4.38Å; L450-V458 CarbonylContact C-O 3.27Å; L450-V458 VanDerWaalsContact CA-O 3.3Å; L450-V458 WeakPolarHBondContact CA-O 3.42Å; L450-E459 HydrophobicContact CD2-CB 3.76Å; L450-E459 HydrophobicContact CD2-CG 4.19Å
451	R	96.7	Very high	94.5	Very high	69 Å²	69	54.2 Å²	54.2	26%	0.26	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.2	172.7	-177.2	175.6	69.7	-172	2.1	109.9	V435 Y437 E453 Y457 V458 I460	V435-R451 HydrophobicContact CG1-CG 3.78Å; Y437-R451 HydrophobicContact CD1-CB 3.78Å; Y437-R451 HydrophobicContact CD1-CG 4.05Å; Y437-R451 HydrophobicContact CE1-CB 3.65Å; Y437-R451 HydrophobicContact CE1-CG 3.58Å; R451-E453 IonicContact CZ-OE1 2.77Å; R451-E453 IonicContact NE-OE1 3.83Å; R451-E453 IonicContact NH2-OE1 2.75Å; R451-E453 PolarHBondContact NH2-OE1 3.17Å; R451-Y457 CarbonylContact O-C 3.55Å; R451-Y457 WeakPolarHBondContact O-CA 3.5Å; R451-V458 PolarHBondContact N-O 3.38Å; R451-V458 PolarHBondContact O-N 3.19Å; R451-I460 HydrophobicContact CB-CG2 3.71Å
452	W	94.3	Very high	94.5	Very high	28 Å²	28	57.2 Å²	57.2	11%	0.106	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.6	171.3	-178	-112.9	0	0	0	111.2	L436 G454 Y457	L436-W452 HydrophobicContact CB-CB 3.79Å; L436-W452 HydrophobicContact CB-CG 4.4Å; L436-W452 HydrophobicContact CD2-CB 3.96Å; L436-W452 HydrophobicContact CD2-CG 4.11Å; L436-W452 HydrophobicContact CG-CB 4.1Å; L436-W452 WeakPolarHBondContact O-CB 3.23Å; L436-W452 PolarHBondContact O-N 2.95Å; W452-G454 WeakPolarHBondContact CZ2-O 3.24Å; W452-G454 VanDerWaalsContact NE1-CA 3.35Å; W452-Y457 HydrophobicContact CB-CD1 4.25Å; W452-Y457 HydrophobicContact CB-CE1 3.97Å; W452-Y457 HydrophobicContact CD2-CE1 4.22Å; W452-Y457 AromaticContact CE3-CD1 3.81Å; W452-Y457 HydrophobicContact CE3-CD1 3.81Å; W452-Y457 AromaticContact CE3-CD2 3.97Å; W452-Y457 HydrophobicContact CE3-CD2 3.97Å; W452-Y457 AromaticContact CE3-CE1 3.5Å; W452-Y457 HydrophobicContact CE3-CE1 3.5Å; W452-Y457 VanDerWaalsContact CE3-CE1 3.5Å; W452-Y457 AromaticContact CE3-CE2 3.69Å; W452-Y457 HydrophobicContact CE3-CE2 3.69Å; W452-Y457 HydrophobicContact CE3-CG 4.03Å; W452-Y457 AromaticContact CE3-CZ 3.43Å; W452-Y457 VanDerWaalsContact CE3-CZ 3.43Å; W452-Y457 HydrophobicContact CG-CE1 4.46Å; W452-Y457 HydrophobicContact CZ3-CD2 4.02Å; W452-Y457 HydrophobicContact CZ3-CE1 4.34Å; W452-Y457 AromaticContact CZ3-CE2 3.68Å; W452-Y457 HydrophobicContact CZ3-CE2 3.68Å; W452-Y457 HydrophobicContact CZ3-CG 4.49Å; W452-Y457 AromaticContact CZ3-CZ 3.85Å
453	E	92.3	Very high	94.6	Very high	86 Å²	86	53.9 Å²	53.9	40%	0.402	27%	0.268	S	S	.	.			trans	-116.8	33.1	176.4	-62.3	-168.4	163	0	0	112.1	R451 Q455 R456 V458	R451-E453 IonicContact CZ-OE1 2.77Å; R451-E453 IonicContact NE-OE1 3.83Å; R451-E453 IonicContact NH2-OE1 2.75Å; R451-E453 PolarHBondContact NH2-OE1 3.17Å; E453-Q455 VanDerWaalsContact C-N 3.26Å; E453-Q455 PolarHBondContact O-N 3.35Å; E453-Q455 VanDerWaalsContact O-N 3.07Å; E453-R456 PolarHBondContact N-O 2.82Å; E453-V458 VanDerWaalsContact CD-CG2 3.48Å; E453-V458 HydrophobicContact CG-CB 4.45Å; E453-V458 HydrophobicContact CG-CG2 3.99Å; E453-V458 WeakPolarHBondContact OE2-CG2 3.18Å
454	G	86.4	Confident	94.6	Very high	34 Å²	34	53 Å²	53	35%	0.351	27%	0.269	S	S	.	.	S	Bend	trans	84.7	-38.4	175.5	0	0	0	0	0	115.1	W452	W452-G454 WeakPolarHBondContact CZ2-O 3.24Å; W452-G454 VanDerWaalsContact NE1-CA 3.35Å
455	Q	84.9	Confident	94.7	Very high	186 Å²	186	48.4 Å²	48.4	87%	0.869	25%	0.245	S	C	*	.	S	Bend	trans	-116.8	-28.3	177.2	-66.6	-170.3	-0.7	0	0	114	E453	E453-Q455 VanDerWaalsContact C-N 3.26Å; E453-Q455 PolarHBondContact O-N 3.35Å; E453-Q455 VanDerWaalsContact O-N 3.07Å
456	R	88.9	Confident	94.8	Very high	163 Å²	163	53.9 Å²	53.9	62%	0.615	26%	0.257	S	S	*	.	S	Bend	trans	-144.3	163.7	-175.5	65.4	177.3	-175.6	152.8	2.8	110.9	E453 V458	E453-R456 PolarHBondContact N-O 2.82Å; R456-V458 HydrophobicContact CG-CG2 4.3Å
457	Y	92.4	Very high	94.9	Very high	16 Å²	16	50.2 Å²	50.2	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	147	167.2	-68.4	-75.3	0	0	0	110	I418 L436 L438 L450 R451 W452	I418-Y457 HydrophobicContact CD1-CD2 4.19Å; I418-Y457 HydrophobicContact CD1-CE2 4.05Å; I418-Y457 HydrophobicContact CG1-CD2 4.24Å; I418-Y457 HydrophobicContact CG1-CE2 4.39Å; L436-Y457 HydrophobicContact CD2-CE1 4.19Å; L438-Y457 HydrophobicContact CD1-CD1 3.89Å; L438-Y457 HydrophobicContact CD1-CD2 4.3Å; L438-Y457 HydrophobicContact CD1-CE1 3.4Å; L438-Y457 VanDerWaalsContact CD1-CE1 3.4Å; L438-Y457 HydrophobicContact CD1-CE2 3.86Å; L438-Y457 HydrophobicContact CD1-CG 4.31Å; L438-Y457 HydrophobicContact CD2-CE1 4.5Å; L438-Y457 HydrophobicContact CG-CD1 4.13Å; L438-Y457 HydrophobicContact CG-CE1 3.58Å; L450-Y457 HydrophobicContact CB-CD1 4.27Å; L450-Y457 HydrophobicContact CB-CG 4.47Å; L450-Y457 HydrophobicContact CD1-CG 4.38Å; R451-Y457 CarbonylContact O-C 3.55Å; R451-Y457 WeakPolarHBondContact O-CA 3.5Å; W452-Y457 HydrophobicContact CB-CD1 4.25Å; W452-Y457 HydrophobicContact CB-CE1 3.97Å; W452-Y457 HydrophobicContact CD2-CE1 4.22Å; W452-Y457 AromaticContact CE3-CD1 3.81Å; W452-Y457 HydrophobicContact CE3-CD1 3.81Å; W452-Y457 AromaticContact CE3-CD2 3.97Å; W452-Y457 HydrophobicContact CE3-CD2 3.97Å; W452-Y457 AromaticContact CE3-CE1 3.5Å; W452-Y457 HydrophobicContact CE3-CE1 3.5Å; W452-Y457 VanDerWaalsContact CE3-CE1 3.5Å; W452-Y457 AromaticContact CE3-CE2 3.69Å; W452-Y457 HydrophobicContact CE3-CE2 3.69Å; W452-Y457 HydrophobicContact CE3-CG 4.03Å; W452-Y457 AromaticContact CE3-CZ 3.43Å; W452-Y457 VanDerWaalsContact CE3-CZ 3.43Å; W452-Y457 HydrophobicContact CG-CE1 4.46Å; W452-Y457 HydrophobicContact CZ3-CD2 4.02Å; W452-Y457 HydrophobicContact CZ3-CE1 4.34Å; W452-Y457 AromaticContact CZ3-CE2 3.68Å; W452-Y457 HydrophobicContact CZ3-CE2 3.68Å; W452-Y457 HydrophobicContact CZ3-CG 4.49Å; W452-Y457 AromaticContact CZ3-CZ 3.85Å
458	V	94.9	Very high	94.9	Very high	35 Å²	35	50.2 Å²	50.2	21%	0.212	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.7	176.5	177.8	0	0	0	0	109	L450 R451 E453 R456 I460	L450-V458 CarbonylContact C-O 3.27Å; L450-V458 VanDerWaalsContact CA-O 3.3Å; L450-V458 WeakPolarHBondContact CA-O 3.42Å; R451-V458 PolarHBondContact N-O 3.38Å; R451-V458 PolarHBondContact O-N 3.19Å; E453-V458 VanDerWaalsContact CD-CG2 3.48Å; E453-V458 HydrophobicContact CG-CB 4.45Å; E453-V458 HydrophobicContact CG-CG2 3.99Å; E453-V458 WeakPolarHBondContact OE2-CG2 3.18Å; R456-V458 HydrophobicContact CG-CG2 4.3Å; V458-I460 PolarHBondContact O-N 3.09Å
459	E	96.3	Very high	94.8	Very high	83 Å²	83	51.3 Å²	51.3	39%	0.388	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.1	176	-175.1	-175.6	140.6	0	0	111.2	K448 L450 T462	K448-E459 HydrophobicContact CD-CG 4.16Å; K448-E459 WeakPolarHBondContact CD-OE2 3.5Å; K448-E459 VanDerWaalsContact CE-OE2 3.31Å; K448-E459 WeakPolarHBondContact CE-OE2 3.45Å; K448-E459 IonicContact NZ-OE2 3.85Å; K448-E459 PolarHBondContact NZ-OE2 3.3Å; L450-E459 HydrophobicContact CD2-CB 3.76Å; L450-E459 HydrophobicContact CD2-CG 4.19Å; E459-T462 VanDerWaalsContact OE1-CG2 3.25Å; E459-T462 WeakPolarHBondContact OE1-CG2 3.29Å
460	I	96.4	Very high	94.8	Very high	24 Å²	24	51.3 Å²	51.3	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-24.1	177.9	68.6	179.7	0	0	0	113.1	Y437 I449 R451 V458 W496 R502	Y437-I460 HydrophobicContact CD1-CD1 3.62Å; Y437-I460 HydrophobicContact CE1-CD1 3.47Å; Y437-I460 VanDerWaalsContact CE1-CD1 3.47Å; I449-I460 HydrophobicContact CB-CD1 4.38Å; I449-I460 HydrophobicContact CB-CG1 3.97Å; I449-I460 HydrophobicContact CG2-CD1 3.66Å; I449-I460 HydrophobicContact CG2-CG1 3.79Å; I449-I460 WeakPolarHBondContact O-CG1 3.17Å; I449-I460 PolarHBondContact O-N 3.13Å; R451-I460 HydrophobicContact CB-CG2 3.71Å; V458-I460 PolarHBondContact O-N 3.09Å; I460-W496 HydrophobicContact CD1-CH2 4.01Å; I460-W496 HydrophobicContact CD1-CZ3 4.38Å; I460-R502 PolarHBondContact O-NE 2.81Å; I460-R502 PolarHBondContact O-NH2 2.9Å; I460-R502 VanDerWaalsContact O-NH2 3.15Å
461	Q	97.6	Very high	94.8	Very high	29 Å²	29	51.5 Å²	51.5	14%	0.136	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	146.1	-173.6	179.4	170.4	37.2	0	0	111.7	I449 L463 R502 F503	I449-Q461 HydrophobicContact CB-CB 4.21Å; I449-Q461 HydrophobicContact CG1-CB 4.32Å; I449-Q461 PolarHBondContact N-O 2.69Å; Q461-L463 HydrophobicContact CG-CD2 4.1Å; Q461-R502 HydrophobicContact CB-CG 4.45Å; Q461-F503 PolarHBondContact NE2-O 2.82Å
462	T	97.4	Very high	94.9	Very high	63 Å²	63	50.9 Å²	50.9	39%	0.387	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	145.9	167.6	54.8	0	0	0	0	110.8	D446 S447 K448 E459	D446-T462 HydrophobicContact CB-CG2 4.44Å; S447-T462 CarbonylContact O-C 3.56Å; S447-T462 WeakPolarHBondContact O-CA 3.17Å; K448-T462 HydrophobicContact CG-CG2 4.45Å; E459-T462 VanDerWaalsContact OE1-CG2 3.25Å; E459-T462 WeakPolarHBondContact OE1-CG2 3.29Å
463	L	97.1	Very high	95.1	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.6	178.2	-60	177.4	0	0	0	109.4	S447 I449 Q461 S465 L482 L484 Y494	S447-L463 PolarHBondContact N-O 2.95Å; S447-L463 PolarHBondContact O-N 2.81Å; I449-L463 HydrophobicContact CD1-CD1 3.97Å; I449-L463 HydrophobicContact CG1-CD1 4.1Å; I449-L463 HydrophobicContact CG1-CG 4.46Å; Q461-L463 HydrophobicContact CG-CD2 4.1Å; L463-S465 PolarHBondContact O-N 3.11Å; L463-S465 PolarHBondContact O-OG 2.79Å; L463-L482 HydrophobicContact CD1-CD2 3.38Å; L463-L484 HydrophobicContact CB-CD2 4.16Å; L463-Y494 HydrophobicContact CD1-CE2 4.46Å; L463-Y494 HydrophobicContact CD2-CD1 4.18Å; L463-Y494 HydrophobicContact CD2-CE1 3.8Å; L463-Y494 HydrophobicContact CD2-CE2 4.49Å
464	P	96.3	Very high	95.3	Very high	49 Å²	49	46.7 Å²	46.7	32%	0.318	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.2	-174.6	27.3	-34.9	0	0	0	111
465	S	96.9	Very high	95.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.7	-178.1	-54.6	0	0	0	0	111.3	R442 G445 S447 L463	R442-S465 WeakPolarHBondContact O-CB 2.97Å; R442-S465 PolarHBondContact O-OG 3.24Å; G445-S465 WeakPolarHBondContact O-CA 3.44Å; G445-S465 WeakPolarHBondContact O-CB 3.16Å; G445-S465 PolarHBondContact O-N 3.4Å; S447-S465 VanDerWaalsContact CB-OG 3.3Å; S447-S465 WeakPolarHBondContact CB-OG 3.28Å; S447-S465 PolarHBondContact N-OG 3.33Å; S447-S465 PolarHBondContact OG-OG 2.86Å; L463-S465 PolarHBondContact O-N 3.11Å; L463-S465 PolarHBondContact O-OG 2.79Å
466	R	96.1	Very high	96.4	Very high	146 Å²	146	40.8 Å²	40.8	55%	0.551	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	73.1	-173.9	-61.4	-63.8	-174.5	179.2	-0.6	108.9	S468 S486 D487 F488	R466-S468 PolarHBondContact N-OG 2.72Å; R466-S486 WeakPolarHBondContact CB-OG 3.46Å; R466-S486 PolarHBondContact O-OG 3.07Å; R466-D487 PolarHBondContact O-N 2.83Å; R466-F488 HydrophobicContact CB-CB 4.31Å; R466-F488 PolarHBondContact O-N 2.91Å; R466-F488 VanDerWaalsContact O-N 3.16Å
467	G	96.9	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	70.4	44.8	-171.5	0	0	0	0	0	111.5	F443 D487	F443-G467 VanDerWaalsContact CE2-CA 3.48Å; F443-G467 CarbonylContact O-C 3.54Å; F443-G467 WeakPolarHBondContact O-CA 3.37Å; F443-G467 PolarHBondContact O-N 3.27Å; G467-D487 WeakPolarHBondContact O-CB 3.37Å; G467-D487 PolarHBondContact O-N 2.93Å
468	S	97.3	Very high	96.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	23%	0.23	C	C	.	.			trans	-85.7	114.8	-173.8	-61.6	0	0	0	0	111.3	R442 F443 R466 G485	R442-S468 WeakPolarHBondContact O-CB 3.13Å; F443-S468 WeakPolarHBondContact CA-O 3.28Å; F443-S468 PolarHBondContact O-N 3.36Å; R466-S468 PolarHBondContact N-OG 2.72Å; S468-G485 VanDerWaalsContact CA-O 3.28Å; S468-G485 WeakPolarHBondContact CA-O 3.29Å; S468-G485 WeakPolarHBondContact CB-O 3.38Å; S468-G485 PolarHBondContact OG-O 2.9Å
469	M	96.3	Very high	96.3	Very high	60 Å²	60	42.1 Å²	42.1	30%	0.296	23%	0.229	S	C	.	.			trans	-109	-13.7	-179.9	-68.1	-66.5	-64.3	0	0	113.2	F443	F443-M469 HydrophobicContact CD2-CG 3.98Å; F443-M469 HydrophobicContact CD2-SD 3.48Å; F443-M469 WeakPolarHBondContact CD2-SD 3.27Å; F443-M469 HydrophobicContact CE2-CG 4.05Å; F443-M469 HydrophobicContact CE2-SD 3.88Å; F443-M469 HydrophobicContact CG-SD 4.49Å
470	A	96.8	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.			trans	-140.4	141.5	-174.3	0	0	0	0	0	110.2	G485 R515 F517	A470-G485 PolarHBondContact O-N 3.12Å; A470-R515 WeakPolarHBondContact CB-O 3.21Å; A470-F517 HydrophobicContact CB-CD2 4Å; A470-F517 HydrophobicContact CB-CE2 3.51Å; A470-F517 HydrophobicContact CB-CZ 4.19Å
471	V	98.1	Very high	96.5	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.2	170.8	71.3	0	0	0	0	108.6	M426 K428 C439 T441 L482 L483 L484	M426-V471 HydrophobicContact CE-CB 4.17Å; M426-V471 HydrophobicContact CE-CG1 3.58Å; M426-V471 WeakPolarHBondContact CE-O 3.48Å; K428-V471 HydrophobicContact CB-CG1 4.15Å; K428-V471 HydrophobicContact CG-CG1 4.08Å; C439-V471 HydrophobicContact CB-CG2 4.43Å; T441-V471 WeakPolarHBondContact OG1-CB 3.21Å; T441-V471 WeakPolarHBondContact OG1-CG1 3.34Å; V471-L482 HydrophobicContact CG2-CD1 3.57Å; V471-L482 HydrophobicContact CG2-CD2 4.49Å; V471-L482 HydrophobicContact CG2-CG 4.02Å; V471-L483 CarbonylContact C-O 3.54Å; V471-L483 VanDerWaalsContact CA-O 3.25Å; V471-L483 WeakPolarHBondContact CA-O 3.49Å; V471-L483 WeakPolarHBondContact CG2-O 3.39Å; V471-L484 HydrophobicContact CB-CD1 4.15Å; V471-L484 HydrophobicContact CG2-CD1 4.14Å
472	Y	98.5	Very high	96.5	Very high	56 Å²	56	36.5 Å²	36.5	22%	0.22	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	107.6	178.9	-171.5	-116.8	0	0	0	109.6	F474 L483 F517 L519 L528	Y472-F474 HydrophobicContact CD1-CB 3.84Å; Y472-F474 AromaticContact CD1-CD1 3.7Å; Y472-F474 HydrophobicContact CD1-CD1 3.7Å; Y472-F474 HydrophobicContact CD1-CG 4.03Å; Y472-F474 HydrophobicContact CE1-CB 3.58Å; Y472-F474 HydrophobicContact CE1-CD1 4.24Å; Y472-F474 HydrophobicContact CE1-CG 4.09Å; Y472-F474 WeakPolarHBondContact O-CD1 3.49Å; Y472-L483 PolarHBondContact N-O 3.36Å; Y472-L483 PolarHBondContact O-N 3.02Å; Y472-F517 HydrophobicContact CD1-CB 3.85Å; Y472-F517 HydrophobicContact CD2-CB 4.45Å; Y472-F517 HydrophobicContact CG-CB 3.75Å; Y472-L519 HydrophobicContact CE1-CB 3.93Å; Y472-L519 PolarHBondContact OH-N 3.23Å; Y472-L519 VanDerWaalsContact OH-N 3.16Å; Y472-L528 HydrophobicContact CD1-CD1 4Å; Y472-L528 HydrophobicContact CE1-CD1 4.1Å
473	P	98.4	Very high	96.6	Very high	17 Å²	17	33.5 Å²	33.5	11%	0.11	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.5	164.9	30.8	-30.4	0	0	0	109.3	K428 H429 F430 Y481 L482	K428-P473 HydrophobicContact CB-CG 4Å; H429-P473 WeakPolarHBondContact O-CG 3.41Å; F430-P473 HydrophobicContact CB-CB 3.6Å; F430-P473 HydrophobicContact CB-CG 3.88Å; F430-P473 HydrophobicContact CD1-CB 3.97Å; F430-P473 HydrophobicContact CD1-CG 4.29Å; F430-P473 HydrophobicContact CG-CB 3.92Å; F430-P473 HydrophobicContact CG-CG 4.45Å; P473-Y481 WeakPolarHBondContact CA-O 3.49Å; P473-L482 HydrophobicContact CB-CD1 3.8Å; P473-L482 HydrophobicContact CG-CD1 4.43Å
474	F	98	Very high	96.6	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163	-178.3	64.2	-80.8	0	0	0	111.2	F224 Y472 V476 Q480 Y481 L483 L519 L528	F224-F474 AromaticContact CE1-CE2 3.69Å; F224-F474 HydrophobicContact CE1-CE2 3.69Å; F224-F474 AromaticContact CE1-CZ 3.87Å; F224-F474 HydrophobicContact CE1-CZ 3.87Å; F224-F474 HydrophobicContact CE2-CZ 4.39Å; F224-F474 AromaticContact CZ-CE2 3.48Å; F224-F474 HydrophobicContact CZ-CE2 3.48Å; F224-F474 VanDerWaalsContact CZ-CE2 3.48Å; F224-F474 AromaticContact CZ-CZ 3.53Å; F224-F474 HydrophobicContact CZ-CZ 3.53Å; Y472-F474 HydrophobicContact CD1-CB 3.84Å; Y472-F474 AromaticContact CD1-CD1 3.7Å; Y472-F474 HydrophobicContact CD1-CD1 3.7Å; Y472-F474 HydrophobicContact CD1-CG 4.03Å; Y472-F474 HydrophobicContact CE1-CB 3.58Å; Y472-F474 HydrophobicContact CE1-CD1 4.24Å; Y472-F474 HydrophobicContact CE1-CG 4.09Å; Y472-F474 WeakPolarHBondContact O-CD1 3.49Å; F474-V476 HydrophobicContact CD2-CG2 3.97Å; F474-V476 HydrophobicContact CE2-CG2 4.03Å; F474-Q480 PolarHBondContact O-NE2 2.98Å; F474-Y481 HydrophobicContact CD2-CD2 4.38Å; F474-Y481 AromaticContact CE2-CD2 3.89Å; F474-Y481 HydrophobicContact CE2-CD2 3.89Å; F474-Y481 AromaticContact CE2-CG 3.99Å; F474-Y481 HydrophobicContact CE2-CG 3.99Å; F474-Y481 HydrophobicContact CZ-CD2 4.33Å; F474-Y481 AromaticContact CZ-CG 3.96Å; F474-Y481 HydrophobicContact CZ-CG 3.96Å; F474-Y481 PolarHBondContact N-O 2.94Å; F474-Y481 PolarHBondContact O-N 2.87Å; F474-L483 HydrophobicContact CE1-CB 3.92Å; F474-L519 HydrophobicContact CB-CD2 4.29Å; F474-L519 HydrophobicContact CD2-CD1 4.41Å; F474-L519 HydrophobicContact CD2-CD2 4.16Å; F474-L528 HydrophobicContact CE1-CD2 4.27Å; F474-L528 HydrophobicContact CE2-CD2 4.5Å; F474-L528 HydrophobicContact CZ-CD2 3.93Å
475	I	97.1	Very high	96.7	Very high	92 Å²	92	31.3 Å²	31.3	47%	0.472	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.1	-178	-62.1	171.4	0	0	0	108.2	G477 R479 L519	I475-G477 VanDerWaalsContact CG2-O 3.25Å; I475-G477 WeakPolarHBondContact CG2-O 3.49Å; I475-R479 WeakPolarHBondContact CA-O 3.38Å; I475-L519 VanDerWaalsContact O-CD2 3.28Å; I475-L519 WeakPolarHBondContact O-CD2 3.44Å
476	V	95.7	Very high	96.7	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.8	168	179	0	0	0	0	108.3	F474 R479 Y481 L519 D526 H542	F474-V476 HydrophobicContact CD2-CG2 3.97Å; F474-V476 HydrophobicContact CE2-CG2 4.03Å; V476-R479 PolarHBondContact N-O 2.78Å; V476-R479 PolarHBondContact O-N 2.99Å; V476-Y481 HydrophobicContact CB-CD2 4.49Å; V476-Y481 HydrophobicContact CB-CE2 4.2Å; V476-L519 HydrophobicContact CG2-CD1 4.17Å; V476-L519 HydrophobicContact CG2-CD2 4.07Å; V476-D526 HydrophobicContact CG1-CB 3.8Å; V476-D526 VanDerWaalsContact CG1-OD2 3.25Å; V476-D526 WeakPolarHBondContact CG1-OD2 3.17Å; V476-D526 HydrophobicContact CG2-CB 4.12Å; V476-H542 HydrophobicContact CG1-CB 4.21Å; V476-H542 WeakPolarHBondContact CG1-ND1 3.45Å
477	G	90.9	Very high	96.8	Very high	62 Å²	62	26.6 Å²	26.6	64%	0.639	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	-124.8	-170.1	0	0	0	0	0	111.3	I475 R479	I475-G477 VanDerWaalsContact CG2-O 3.25Å; I475-G477 WeakPolarHBondContact CG2-O 3.49Å; G477-R479 VanDerWaalsContact C-N 3.34Å
478	P	90.3	Very high	96.8	Very high	130 Å²	130	33 Å²	33	84%	0.844	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	1.7	178.7	35.4	-35.1	0	0	0	114
479	R	93.7	Very high	96.7	Very high	50 Å²	50	35.4 Å²	35.4	19%	0.189	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.6	-168.7	-63.7	-179	-176.8	-173.9	-1	111.4	I220 A222 I475 V476 G477 Y481 L495	I220-R479 PolarHBondContact O-NH2 3Å; A222-R479 VanDerWaalsContact N-NH1 3.1Å; I475-R479 WeakPolarHBondContact CA-O 3.38Å; V476-R479 PolarHBondContact N-O 2.78Å; V476-R479 PolarHBondContact O-N 2.99Å; G477-R479 VanDerWaalsContact C-N 3.34Å; R479-Y481 HydrophobicContact CB-CD2 4.12Å; R479-Y481 HydrophobicContact CB-CE2 3.42Å; R479-Y481 VanDerWaalsContact CB-CE2 3.42Å; R479-Y481 WeakPolarHBondContact CD-OH 3.44Å; R479-Y481 HydrophobicContact CG-CE2 4.46Å; R479-L495 HydrophobicContact CB-CD1 3.88Å; R479-L495 HydrophobicContact CG-CD1 4.28Å
480	Q	97.6	Very high	96.8	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.3	171.3	174.5	70.1	51	0	0	109.8	F430 V432 F474 W496 F503	F430-Q480 HydrophobicContact CD2-CG 4.32Å; V432-Q480 HydrophobicContact CG2-CG 4.04Å; F474-Q480 PolarHBondContact O-NE2 2.98Å; Q480-W496 HydrophobicContact CB-CB 3.71Å; Q480-W496 HydrophobicContact CB-CG 4.33Å; Q480-W496 HydrophobicContact CG-CB 3.89Å; Q480-W496 HydrophobicContact CG-CG 4.37Å; Q480-W496 WeakPolarHBondContact O-CB 3.4Å; Q480-W496 PolarHBondContact O-N 3.07Å; Q480-F503 HydrophobicContact CG-CE1 4.13Å; Q480-F503 HydrophobicContact CG-CZ 4.01Å
481	Y	98.5	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	163.9	176.4	-66	-81.6	0	0	0	111.5	F224 P473 F474 V476 R479 V493 Y494 L495 F506 H542	F224-Y481 HydrophobicContact CE2-CD1 4.14Å; F224-Y481 AromaticContact CE2-CE1 3.95Å; F224-Y481 HydrophobicContact CE2-CE1 3.95Å; F224-Y481 HydrophobicContact CE2-CG 4.5Å; F224-Y481 HydrophobicContact CZ-CD1 4.38Å; F224-Y481 HydrophobicContact CZ-CD2 4.23Å; F224-Y481 HydrophobicContact CZ-CE1 4.38Å; F224-Y481 HydrophobicContact CZ-CE2 4.24Å; F224-Y481 HydrophobicContact CZ-CG 4.29Å; P473-Y481 WeakPolarHBondContact CA-O 3.49Å; F474-Y481 HydrophobicContact CD2-CD2 4.38Å; F474-Y481 AromaticContact CE2-CD2 3.89Å; F474-Y481 HydrophobicContact CE2-CD2 3.89Å; F474-Y481 AromaticContact CE2-CG 3.99Å; F474-Y481 HydrophobicContact CE2-CG 3.99Å; F474-Y481 HydrophobicContact CZ-CD2 4.33Å; F474-Y481 AromaticContact CZ-CG 3.96Å; F474-Y481 HydrophobicContact CZ-CG 3.96Å; F474-Y481 PolarHBondContact N-O 2.94Å; F474-Y481 PolarHBondContact O-N 2.87Å; V476-Y481 HydrophobicContact CB-CD2 4.49Å; V476-Y481 HydrophobicContact CB-CE2 4.2Å; R479-Y481 HydrophobicContact CB-CD2 4.12Å; R479-Y481 HydrophobicContact CB-CE2 3.42Å; R479-Y481 VanDerWaalsContact CB-CE2 3.42Å; R479-Y481 WeakPolarHBondContact CD-OH 3.44Å; R479-Y481 HydrophobicContact CG-CE2 4.46Å; Y481-V493 HydrophobicContact CD1-CG1 3.75Å; Y481-V493 HydrophobicContact CE1-CG1 4.44Å; Y481-V493 HydrophobicContact CG-CG1 4.45Å; Y481-Y494 CarbonylContact C-O 3.6Å; Y481-Y494 WeakPolarHBondContact CA-O 3.14Å; Y481-Y494 WeakPolarHBondContact CD1-O 3.4Å; Y481-L495 HydrophobicContact CD1-CB 4.23Å; Y481-L495 HydrophobicContact CD1-CD1 3.95Å; Y481-L495 HydrophobicContact CE1-CB 4.14Å; Y481-L495 HydrophobicContact CE1-CD1 3.6Å; Y481-L495 HydrophobicContact CE1-CG 4.37Å; Y481-L495 HydrophobicContact CE2-CD1 4.48Å; Y481-F506 HydrophobicContact CD1-CD1 4.36Å; Y481-F506 AromaticContact CE1-CD1 3.79Å; Y481-F506 HydrophobicContact CE1-CD1 3.79Å; Y481-F506 HydrophobicContact CE1-CD2 4.47Å; Y481-F506 AromaticContact CE1-CE1 3.79Å; Y481-F506 HydrophobicContact CE1-CE1 3.79Å; Y481-F506 HydrophobicContact CE1-CE2 4.47Å; Y481-F506 HydrophobicContact CE1-CG 4.13Å; Y481-F506 HydrophobicContact CE1-CZ 4.13Å; Y481-H542 AromaticContact CE2-NE2 3.73Å; Y481-H542 AromaticContact CZ-NE2 3.75Å; Y481-H542 PolarHBondContact OH-NE2 3.47Å
482	L	98.6	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	120	168.3	-177.9	79.8	0	0	0	108.4	C439 I449 L463 V471 P473 V493 Y494 F503	C439-L482 HydrophobicContact CB-CD1 4.29Å; I449-L482 HydrophobicContact CD1-CD2 3.88Å; L463-L482 HydrophobicContact CD1-CD2 3.38Å; V471-L482 HydrophobicContact CG2-CD1 3.57Å; V471-L482 HydrophobicContact CG2-CD2 4.49Å; V471-L482 HydrophobicContact CG2-CG 4.02Å; P473-L482 HydrophobicContact CB-CD1 3.8Å; P473-L482 HydrophobicContact CG-CD1 4.43Å; L482-V493 CarbonylContact O-C 3.09Å; L482-V493 WeakPolarHBondContact O-CA 3.15Å; L482-Y494 PolarHBondContact N-O 2.92Å; L482-Y494 PolarHBondContact O-N 2.91Å; L482-F503 HydrophobicContact CB-CD1 3.91Å; L482-F503 HydrophobicContact CB-CD2 4.22Å; L482-F503 HydrophobicContact CB-CE1 3.6Å; L482-F503 HydrophobicContact CB-CE2 3.9Å; L482-F503 HydrophobicContact CB-CG 4.23Å; L482-F503 HydrophobicContact CB-CZ 3.6Å; L482-F503 HydrophobicContact CD2-CD2 3.9Å; L482-F503 HydrophobicContact CD2-CE2 3.99Å; L482-F503 HydrophobicContact CD2-CG 4.35Å; L482-F503 HydrophobicContact CG-CE2 4.39Å; L482-F503 HydrophobicContact CG-CZ 4.5Å
483	L	98.6	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.7	171.5	173.8	54.3	0	0	0	109.6	V471 Y472 F474 R492 V493 L509 M511 F517 L528	V471-L483 CarbonylContact C-O 3.54Å; V471-L483 VanDerWaalsContact CA-O 3.25Å; V471-L483 WeakPolarHBondContact CA-O 3.49Å; V471-L483 WeakPolarHBondContact CG2-O 3.39Å; Y472-L483 PolarHBondContact N-O 3.36Å; Y472-L483 PolarHBondContact O-N 3.02Å; F474-L483 HydrophobicContact CE1-CB 3.92Å; L483-R492 WeakPolarHBondContact CA-O 3.48Å; L483-R492 WeakPolarHBondContact CD1-O 3.48Å; L483-V493 HydrophobicContact CD1-CG2 3.91Å; L483-L509 HydrophobicContact CD1-CD1 4.25Å; L483-L509 HydrophobicContact CD2-CD1 4.4Å; L483-M511 HydrophobicContact CD1-CE 4.38Å; L483-M511 HydrophobicContact CD2-CE 4.06Å; L483-F517 HydrophobicContact CD1-CZ 4.42Å; L483-F517 HydrophobicContact CD2-CD1 3.45Å; L483-F517 VanDerWaalsContact CD2-CD1 3.45Å; L483-F517 HydrophobicContact CD2-CD2 4.05Å; L483-F517 HydrophobicContact CD2-CE1 3.38Å; L483-F517 HydrophobicContact CD2-CE2 3.96Å; L483-F517 HydrophobicContact CD2-CG 3.8Å; L483-F517 HydrophobicContact CD2-CZ 3.63Å; L483-F517 HydrophobicContact CG-CD1 4.32Å; L483-F517 HydrophobicContact CG-CD2 4.1Å; L483-F517 HydrophobicContact CG-CE1 4.03Å; L483-F517 HydrophobicContact CG-CE2 3.75Å; L483-F517 HydrophobicContact CG-CG 4.36Å; L483-F517 HydrophobicContact CG-CZ 3.71Å; L483-L528 HydrophobicContact CD2-CD2 3.65Å; L483-L528 HydrophobicContact CD2-CG 4.46Å
484	L	98.5	Very high	96.8	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.4	172.2	-175.5	64.5	0	0	0	109.7	T441 L463 V471 S491 R492 Y494	T441-L484 HydrophobicContact CG2-CD1 3.94Å; L463-L484 HydrophobicContact CB-CD2 4.16Å; V471-L484 HydrophobicContact CB-CD1 4.15Å; V471-L484 HydrophobicContact CG2-CD1 4.14Å; L484-S491 WeakPolarHBondContact O-CA 3.49Å; L484-R492 PolarHBondContact N-O 2.94Å; L484-R492 PolarHBondContact O-N 3.25Å; L484-Y494 HydrophobicContact CB-CE2 4.13Å
485	G	98.1	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.			trans	-71	153.7	177.9	0	0	0	0	0	112.8	S468 A470 S491	S468-G485 VanDerWaalsContact CA-O 3.28Å; S468-G485 WeakPolarHBondContact CA-O 3.29Å; S468-G485 WeakPolarHBondContact CB-O 3.38Å; S468-G485 PolarHBondContact OG-O 2.9Å; A470-G485 PolarHBondContact O-N 3.12Å; G485-S491 WeakPolarHBondContact CA-OG 3.18Å
486	S	97.7	Very high	96.8	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.035	19%	0.194	C	C	.	.			trans	-145.2	131.5	176.9	179.4	0	0	0	0	112.1	R466 F488 S489 F490 S491 P514	R466-S486 WeakPolarHBondContact CB-OG 3.46Å; R466-S486 PolarHBondContact O-OG 3.07Å; S486-F488 PolarHBondContact OG-N 2.89Å; S486-S489 WeakPolarHBondContact CB-O 3.22Å; S486-S489 PolarHBondContact OG-N 2.82Å; S486-S489 PolarHBondContact OG-O 2.95Å; S486-S489 PolarHBondContact OG-OG 2.83Å; S486-F490 WeakPolarHBondContact CB-O 3.42Å; S486-S491 PolarHBondContact N-OG 2.92Å; S486-P514 WeakPolarHBondContact O-CD 3.08Å
487	D	97.8	Very high	96.7	Very high	45 Å²	45	37.5 Å²	37.5	24%	0.241	20%	0.204	C	C	.	.	S	Bend	trans	-85.9	-21.7	172.8	-77.4	25.9	0	0	0	112.6	R466 G467 A513 R515	R466-D487 PolarHBondContact O-N 2.83Å; G467-D487 WeakPolarHBondContact O-CB 3.37Å; G467-D487 PolarHBondContact O-N 2.93Å; D487-A513 VanDerWaalsContact OD1-CA 3.25Å; D487-A513 WeakPolarHBondContact OD1-CA 3.05Å; D487-R515 IonicContact OD1-CZ 3.8Å; D487-R515 IonicContact OD1-NH1 2.68Å; D487-R515 PolarHBondContact OD1-NH1 2.79Å; D487-R515 IonicContact OD1-NH2 3.66Å; D487-R515 IonicContact OD2-CZ 2.76Å; D487-R515 IonicContact OD2-NH1 3.6Å; D487-R515 PolarHBondContact OD2-NH1 2.82Å; D487-R515 IonicContact OD2-NH2 3.66Å; D487-R515 PolarHBondContact OD2-NH2 2.99Å
488	F	96.4	Very high	96.6	Very high	134 Å²	134	38.2 Å²	38.2	59%	0.588	19%	0.193	S	C	*	.	S	Bend	trans	-111	-7.4	-172.4	-52.9	-35	0	0	0	114.6	F443 I444 R466 S486	F443-F488 HydrophobicContact CE1-CE2 4.21Å; F443-F488 HydrophobicContact CE1-CZ 4.11Å; F443-F488 HydrophobicContact CZ-CE2 4.1Å; F443-F488 AromaticContact CZ-CZ 3.74Å; F443-F488 HydrophobicContact CZ-CZ 3.74Å; I444-F488 HydrophobicContact CD1-CE2 4.14Å; I444-F488 HydrophobicContact CG1-CE2 4.23Å; R466-F488 HydrophobicContact CB-CB 4.31Å; R466-F488 PolarHBondContact O-N 2.91Å; R466-F488 VanDerWaalsContact O-N 3.16Å; S486-F488 PolarHBondContact OG-N 2.89Å
489	S	95.4	Very high	96.4	Very high	51 Å²	51	39.8 Å²	39.8	36%	0.357	19%	0.194	S	C	.	.	S	Bend	trans	-151.4	-171.4	177.7	61.1	0	0	0	0	110.6	S486	S486-S489 WeakPolarHBondContact CB-O 3.22Å; S486-S489 PolarHBondContact OG-N 2.82Å; S486-S489 PolarHBondContact OG-O 2.95Å; S486-S489 PolarHBondContact OG-OG 2.83Å
490	F	97.3	Very high	96.3	Very high	103 Å²	103	40.8 Å²	40.8	45%	0.452	21%	0.205	S	C	.	.			trans	-61.6	144.2	170.3	-59.8	-64.5	0	0	0	111.2	S486 E508 N510	S486-F490 WeakPolarHBondContact CB-O 3.42Å; F490-E508 HydrophobicContact CB-CB 3.85Å; F490-E508 HydrophobicContact CB-CG 4.38Å; F490-E508 HydrophobicContact CG-CB 4.27Å; F490-N510 HydrophobicContact CD1-CB 4.08Å; F490-N510 HydrophobicContact CE1-CB 4.08Å
491	S	98.1	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	144.6	168.2	-62.5	0	0	0	0	108.8	L484 G485 S486 E508 L509 M511	L484-S491 WeakPolarHBondContact O-CA 3.49Å; G485-S491 WeakPolarHBondContact CA-OG 3.18Å; S486-S491 PolarHBondContact N-OG 2.92Å; S491-E508 CarbonylContact O-C 3.26Å; S491-E508 WeakPolarHBondContact O-CA 3.35Å; S491-L509 PolarHBondContact N-O 3.05Å; S491-L509 PolarHBondContact O-N 3.32Å; S491-M511 VanDerWaalsContact CB-SD 3.5Å; S491-M511 WeakPolarHBondContact OG-CG 3.48Å; S491-M511 PolarHBondContact OG-SD 3.33Å; S491-M511 VanDerWaalsContact OG-SD 3.36Å
492	R	98.3	Very high	96.1	Very high	62 Å²	62	49.8 Å²	49.8	23%	0.234	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.7	-168.6	-71.1	178.6	172.5	158.2	-1.2	110.8	L483 L484 Y494 L505 E508	L483-R492 WeakPolarHBondContact CA-O 3.48Å; L483-R492 WeakPolarHBondContact CD1-O 3.48Å; L484-R492 PolarHBondContact N-O 2.94Å; L484-R492 PolarHBondContact O-N 3.25Å; R492-Y494 HydrophobicContact CB-CD2 4.18Å; R492-Y494 HydrophobicContact CB-CE2 3.45Å; R492-Y494 VanDerWaalsContact CB-CE2 3.45Å; R492-Y494 VanDerWaalsContact CD-OH 3.29Å; R492-Y494 WeakPolarHBondContact CD-OH 3.28Å; R492-L505 HydrophobicContact CB-CD1 3.85Å; R492-L505 HydrophobicContact CG-CD1 3.83Å; R492-E508 HydrophobicContact CG-CG 4.25Å; R492-E508 IonicContact CZ-OE1 3.88Å; R492-E508 IonicContact NE-OE1 3.73Å; R492-E508 PolarHBondContact NE-OE1 3.27Å; R492-E508 IonicContact NH2-OE1 3.66Å; R492-E508 PolarHBondContact NH2-OE1 2.04Å
493	V	98.4	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.9	165.4	-176.4	0	0	0	0	107.2	F224 Y481 L482 L483 F506 Q507 L509	F224-V493 HydrophobicContact CD2-CG1 4.24Å; F224-V493 HydrophobicContact CD2-CG2 4.37Å; F224-V493 HydrophobicContact CE2-CG1 3.8Å; Y481-V493 HydrophobicContact CD1-CG1 3.75Å; Y481-V493 HydrophobicContact CE1-CG1 4.44Å; Y481-V493 HydrophobicContact CG-CG1 4.45Å; L482-V493 CarbonylContact O-C 3.09Å; L482-V493 WeakPolarHBondContact O-CA 3.15Å; L483-V493 HydrophobicContact CD1-CG2 3.91Å; V493-F506 HydrophobicContact CB-CD1 4.41Å; V493-F506 HydrophobicContact CG1-CB 4.5Å; V493-F506 HydrophobicContact CG1-CD1 3.93Å; V493-F506 WeakPolarHBondContact O-CA 3.36Å; V493-F506 WeakPolarHBondContact O-CB 3.21Å; V493-F506 PolarHBondContact O-N 2.89Å; V493-Q507 HydrophobicContact CB-CB 4.27Å; V493-Q507 PolarHBondContact N-O 3.34Å; V493-Q507 PolarHBondContact O-N 2.91Å; V493-Q507 VanDerWaalsContact O-N 3.09Å; V493-L509 HydrophobicContact CG2-CD1 3.54Å; V493-L509 HydrophobicContact CG2-CG 3.82Å
494	Y	98.3	Very high	95.9	Very high	13 Å²	13	54.5 Å²	54.5	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	146.4	172.3	-60.1	-97.7	0	0	0	110.1	L463 Y481 L482 L484 R492 F503 Q504 L505	L463-Y494 HydrophobicContact CD1-CE2 4.46Å; L463-Y494 HydrophobicContact CD2-CD1 4.18Å; L463-Y494 HydrophobicContact CD2-CE1 3.8Å; L463-Y494 HydrophobicContact CD2-CE2 4.49Å; Y481-Y494 CarbonylContact C-O 3.6Å; Y481-Y494 WeakPolarHBondContact CA-O 3.14Å; Y481-Y494 WeakPolarHBondContact CD1-O 3.4Å; L482-Y494 PolarHBondContact N-O 2.92Å; L482-Y494 PolarHBondContact O-N 2.91Å; L484-Y494 HydrophobicContact CB-CE2 4.13Å; R492-Y494 HydrophobicContact CB-CD2 4.18Å; R492-Y494 HydrophobicContact CB-CE2 3.45Å; R492-Y494 VanDerWaalsContact CB-CE2 3.45Å; R492-Y494 VanDerWaalsContact CD-OH 3.29Å; R492-Y494 WeakPolarHBondContact CD-OH 3.28Å; Y494-F503 HydrophobicContact CD1-CB 4.29Å; Y494-F503 HydrophobicContact CG-CB 4.23Å; Y494-Q504 CarbonylContact C-O 3.13Å; Y494-Q504 WeakPolarHBondContact CA-O 3.2Å; Y494-Q504 WeakPolarHBondContact CB-O 3.44Å; Y494-L505 HydrophobicContact CD1-CB 4.35Å; Y494-L505 HydrophobicContact CE1-CB 4.24Å; Y494-L505 HydrophobicContact CE1-CD1 4.23Å
495	L	97.2	Very high	95.7	Very high	45 Å²	45	58.8 Å²	58.8	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.6	174	176.4	65.3	0	0	0	109.1	R479 Y481 D497 Q504 F506	R479-L495 HydrophobicContact CB-CD1 3.88Å; R479-L495 HydrophobicContact CG-CD1 4.28Å; Y481-L495 HydrophobicContact CD1-CB 4.23Å; Y481-L495 HydrophobicContact CD1-CD1 3.95Å; Y481-L495 HydrophobicContact CE1-CB 4.14Å; Y481-L495 HydrophobicContact CE1-CD1 3.6Å; Y481-L495 HydrophobicContact CE1-CG 4.37Å; Y481-L495 HydrophobicContact CE2-CD1 4.48Å; L495-D497 PolarHBondContact O-N 3.43Å; L495-Q504 PolarHBondContact N-O 2.76Å; L495-Q504 PolarHBondContact O-N 2.82Å; L495-F506 HydrophobicContact CB-CB 3.81Å; L495-F506 HydrophobicContact CB-CD2 3.92Å; L495-F506 HydrophobicContact CB-CG 4.02Å; L495-F506 HydrophobicContact CD2-CD2 3.94Å; L495-F506 HydrophobicContact CD2-CE2 4.2Å
496	W	97	Very high	95.6	Very high	19 Å²	19	61 Å²	61	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.8	176.4	-176.1	-97.1	0	0	0	110.9	F430 V432 Y437 I460 Q480 D498 Q501 F503	F430-W496 HydrophobicContact CE2-CE3 4.24Å; F430-W496 HydrophobicContact CE2-CZ3 4.07Å; F430-W496 HydrophobicContact CZ-CZ3 4.09Å; V432-W496 HydrophobicContact CB-CZ2 4.45Å; V432-W496 HydrophobicContact CG1-CZ2 4.4Å; V432-W496 HydrophobicContact CG2-CD2 4.17Å; V432-W496 HydrophobicContact CG2-CG 4.41Å; V432-W496 HydrophobicContact CG2-CZ2 4.33Å; Y437-W496 HydrophobicContact CD1-CH2 4.2Å; Y437-W496 AromaticContact CE1-CH2 3.68Å; Y437-W496 HydrophobicContact CE1-CH2 3.68Å; Y437-W496 HydrophobicContact CE1-CZ2 4.34Å; Y437-W496 HydrophobicContact CE2-CH2 4.39Å; Y437-W496 HydrophobicContact CE2-CZ2 4.49Å; Y437-W496 AromaticContact CZ-CH2 3.79Å; Y437-W496 AromaticContact CZ-CZ2 3.99Å; I460-W496 HydrophobicContact CD1-CH2 4.01Å; I460-W496 HydrophobicContact CD1-CZ3 4.38Å; Q480-W496 HydrophobicContact CB-CB 3.71Å; Q480-W496 HydrophobicContact CB-CG 4.33Å; Q480-W496 HydrophobicContact CG-CB 3.89Å; Q480-W496 HydrophobicContact CG-CG 4.37Å; Q480-W496 WeakPolarHBondContact O-CB 3.4Å; Q480-W496 PolarHBondContact O-N 3.07Å; W496-D498 PolarHBondContact NE1-OD1 2.78Å; W496-Q501 HydrophobicContact CH2-CB 4.27Å; W496-Q501 WeakPolarHBondContact CH2-O 3.01Å; W496-Q501 VanDerWaalsContact CZ2-C 3.44Å; W496-Q501 VanDerWaalsContact CZ2-CA 3.47Å; W496-Q501 HydrophobicContact CZ2-CB 3.81Å; W496-F503 HydrophobicContact CB-CD1 4.13Å; W496-F503 HydrophobicContact CB-CE1 3.79Å; W496-F503 HydrophobicContact CB-CZ 4.44Å; W496-F503 HydrophobicContact CE3-CD1 4.17Å; W496-F503 AromaticContact CE3-CD2 3.79Å; W496-F503 HydrophobicContact CE3-CD2 3.79Å; W496-F503 HydrophobicContact CE3-CE1 4.01Å; W496-F503 AromaticContact CE3-CE2 3.65Å; W496-F503 HydrophobicContact CE3-CE2 3.65Å; W496-F503 HydrophobicContact CE3-CG 4.05Å; W496-F503 AromaticContact CE3-CZ 3.74Å; W496-F503 HydrophobicContact CE3-CZ 3.74Å; W496-F503 HydrophobicContact CZ3-CD2 4.05Å; W496-F503 AromaticContact CZ3-CE2 3.96Å; W496-F503 HydrophobicContact CZ3-CE2 3.96Å; W496-F503 HydrophobicContact CZ3-CZ 4.46Å
497	D	93.3	Very high	95.5	Very high	46 Å²	46	62.5 Å²	62.5	25%	0.246	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.5	170.2	172.6	22.1	0	0	0	110	L495 L499 T500 Q501 R502 Q504	L495-D497 PolarHBondContact O-N 3.43Å; D497-L499 VanDerWaalsContact C-N 3.25Å; D497-L499 PolarHBondContact O-N 3.27Å; D497-L499 WeakPolarHBondContact OD1-CB 3.47Å; D497-L499 PolarHBondContact OD1-N 2.87Å; D497-T500 WeakPolarHBondContact CB-OG1 3.44Å; D497-T500 VanDerWaalsContact CG-OG1 3.31Å; D497-T500 VanDerWaalsContact OD2-CB 3.29Å; D497-T500 WeakPolarHBondContact OD2-CB 3.33Å; D497-T500 WeakPolarHBondContact OD2-CG2 3.48Å; D497-T500 PolarHBondContact OD2-N 2.89Å; D497-T500 PolarHBondContact OD2-OG1 2.83Å; D497-Q501 VanDerWaalsContact O-CA 3.23Å; D497-Q501 WeakPolarHBondContact O-CA 3.31Å; D497-Q501 PolarHBondContact O-N 3.11Å; D497-R502 PolarHBondContact N-O 3.18Å; D497-R502 PolarHBondContact O-N 3.3Å; D497-Q504 HydrophobicContact CB-CG 4.07Å
498	D	89.1	Confident	95.5	Very high	76 Å²	76	64.3 Å²	64.3	41%	0.406	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.3	179.6	-91.1	-20.2	0	0	0	113.7	R433 W496	R433-D498 IonicContact CZ-OD1 3.61Å; R433-D498 IonicContact CZ-OD2 3.22Å; R433-D498 IonicContact NE-OD1 3.74Å; R433-D498 IonicContact NE-OD2 3.43Å; R433-D498 IonicContact NH2-OD1 2.75Å; R433-D498 IonicContact NH2-OD2 2.67Å; R433-D498 PolarHBondContact NH2-OD2 3.08Å; W496-D498 PolarHBondContact NE1-OD1 2.78Å
499	L	87.1	Confident	95.6	Very high	164 Å²	164	58.2 Å²	58.2	86%	0.859	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-49.1	179.5	-65.7	174.5	0	0	0	110.8	D497	D497-L499 VanDerWaalsContact C-N 3.25Å; D497-L499 PolarHBondContact O-N 3.27Å; D497-L499 WeakPolarHBondContact OD1-CB 3.47Å; D497-L499 PolarHBondContact OD1-N 2.87Å
500	T	91.3	Very high	95.6	Very high	70 Å²	70	61.4 Å²	61.4	43%	0.429	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.6	-179.6	61.1	0	0	0	0	113.7	D497 R502	D497-T500 WeakPolarHBondContact CB-OG1 3.44Å; D497-T500 VanDerWaalsContact CG-OG1 3.31Å; D497-T500 VanDerWaalsContact OD2-CB 3.29Å; D497-T500 WeakPolarHBondContact OD2-CB 3.33Å; D497-T500 WeakPolarHBondContact OD2-CG2 3.48Å; D497-T500 PolarHBondContact OD2-N 2.89Å; D497-T500 PolarHBondContact OD2-OG1 2.83Å; T500-R502 PolarHBondContact O-N 3.29Å
501	Q	94.5	Very high	95.4	Very high	80 Å²	80	57.1 Å²	57.1	37%	0.374	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	42.1	-171.6	-58.3	-171	-20.5	0	0	112.3	W496 D497	W496-Q501 HydrophobicContact CH2-CB 4.27Å; W496-Q501 WeakPolarHBondContact CH2-O 3.01Å; W496-Q501 VanDerWaalsContact CZ2-C 3.44Å; W496-Q501 VanDerWaalsContact CZ2-CA 3.47Å; W496-Q501 HydrophobicContact CZ2-CB 3.81Å; D497-Q501 VanDerWaalsContact O-CA 3.23Å; D497-Q501 WeakPolarHBondContact O-CA 3.31Å; D497-Q501 PolarHBondContact O-N 3.11Å
502	R	96.5	Very high	95.3	Very high	127 Å²	127	65.7 Å²	65.7	48%	0.479	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155.2	-176.6	-71.9	-179.7	172.8	179.9	-0.6	111	I460 Q461 D497 T500	I460-R502 PolarHBondContact O-NE 2.81Å; I460-R502 PolarHBondContact O-NH2 2.9Å; I460-R502 VanDerWaalsContact O-NH2 3.15Å; Q461-R502 HydrophobicContact CB-CG 4.45Å; D497-R502 PolarHBondContact N-O 3.18Å; D497-R502 PolarHBondContact O-N 3.3Å; T500-R502 PolarHBondContact O-N 3.29Å
503	F	97.8	Very high	95.3	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.2	172.4	-82.7	-65.2	0	0	0	111.4	F430 I449 Q461 Q480 L482 Y494 W496	F430-F503 HydrophobicContact CE1-CE2 4.01Å; F430-F503 AromaticContact CE2-CE2 3.89Å; F430-F503 HydrophobicContact CE2-CE2 3.89Å; F430-F503 AromaticContact CE2-CZ 3.95Å; F430-F503 HydrophobicContact CE2-CZ 3.95Å; F430-F503 AromaticContact CZ-CE2 3.45Å; F430-F503 HydrophobicContact CZ-CE2 3.45Å; F430-F503 VanDerWaalsContact CZ-CE2 3.45Å; F430-F503 AromaticContact CZ-CZ 3.98Å; F430-F503 HydrophobicContact CZ-CZ 3.98Å; I449-F503 HydrophobicContact CD1-CD2 4.29Å; I449-F503 HydrophobicContact CD1-CE2 4.42Å; I449-F503 HydrophobicContact CG1-CD2 4.27Å; Q461-F503 PolarHBondContact NE2-O 2.82Å; Q480-F503 HydrophobicContact CG-CE1 4.13Å; Q480-F503 HydrophobicContact CG-CZ 4.01Å; L482-F503 HydrophobicContact CB-CD1 3.91Å; L482-F503 HydrophobicContact CB-CD2 4.22Å; L482-F503 HydrophobicContact CB-CE1 3.6Å; L482-F503 HydrophobicContact CB-CE2 3.9Å; L482-F503 HydrophobicContact CB-CG 4.23Å; L482-F503 HydrophobicContact CB-CZ 3.6Å; L482-F503 HydrophobicContact CD2-CD2 3.9Å; L482-F503 HydrophobicContact CD2-CE2 3.99Å; L482-F503 HydrophobicContact CD2-CG 4.35Å; L482-F503 HydrophobicContact CG-CE2 4.39Å; L482-F503 HydrophobicContact CG-CZ 4.5Å; Y494-F503 HydrophobicContact CD1-CB 4.29Å; Y494-F503 HydrophobicContact CG-CB 4.23Å; W496-F503 HydrophobicContact CB-CD1 4.13Å; W496-F503 HydrophobicContact CB-CE1 3.79Å; W496-F503 HydrophobicContact CB-CZ 4.44Å; W496-F503 HydrophobicContact CE3-CD1 4.17Å; W496-F503 AromaticContact CE3-CD2 3.79Å; W496-F503 HydrophobicContact CE3-CD2 3.79Å; W496-F503 HydrophobicContact CE3-CE1 4.01Å; W496-F503 AromaticContact CE3-CE2 3.65Å; W496-F503 HydrophobicContact CE3-CE2 3.65Å; W496-F503 HydrophobicContact CE3-CG 4.05Å; W496-F503 AromaticContact CE3-CZ 3.74Å; W496-F503 HydrophobicContact CE3-CZ 3.74Å; W496-F503 HydrophobicContact CZ3-CD2 4.05Å; W496-F503 AromaticContact CZ3-CE2 3.96Å; W496-F503 HydrophobicContact CZ3-CE2 3.96Å; W496-F503 HydrophobicContact CZ3-CZ 4.46Å
504	Q	95.4	Very high	95.3	Very high	98 Å²	98	63.2 Å²	63.2	46%	0.458	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.1	172.6	-60.4	-60.4	-24.6	0	0	109.7	Y494 L495 D497 F506	Y494-Q504 CarbonylContact C-O 3.13Å; Y494-Q504 WeakPolarHBondContact CA-O 3.2Å; Y494-Q504 WeakPolarHBondContact CB-O 3.44Å; L495-Q504 PolarHBondContact N-O 2.76Å; L495-Q504 PolarHBondContact O-N 2.82Å; D497-Q504 HydrophobicContact CB-CG 4.07Å; Q504-F506 PolarHBondContact O-N 3.27Å
505	L	95.8	Very high	95.2	Very high	94 Å²	94	65 Å²	65	49%	0.492	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124.7	176.7	179.3	64.3	0	0	0	109	R492 Y494 E508	R492-L505 HydrophobicContact CB-CD1 3.85Å; R492-L505 HydrophobicContact CG-CD1 3.83Å; Y494-L505 HydrophobicContact CD1-CB 4.35Å; Y494-L505 HydrophobicContact CE1-CB 4.24Å; Y494-L505 HydrophobicContact CE1-CD1 4.23Å; L505-E508 HydrophobicContact CD1-CG 4.4Å
506	F	94.9	Very high	95.3	Very high	48 Å²	48	63.6 Å²	63.6	21%	0.211	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-50.9	-175.1	176.4	-103.7	0	0	0	112	A222 F224 Y481 V493 L495 Q504	A222-F506 HydrophobicContact CB-CZ 3.97Å; A222-F506 WeakPolarHBondContact O-CZ 3.45Å; F224-F506 HydrophobicContact CD2-CE1 4.11Å; F224-F506 HydrophobicContact CE2-CD1 4.35Å; F224-F506 AromaticContact CE2-CE1 3.99Å; F224-F506 HydrophobicContact CE2-CE1 3.99Å; Y481-F506 HydrophobicContact CD1-CD1 4.36Å; Y481-F506 AromaticContact CE1-CD1 3.79Å; Y481-F506 HydrophobicContact CE1-CD1 3.79Å; Y481-F506 HydrophobicContact CE1-CD2 4.47Å; Y481-F506 AromaticContact CE1-CE1 3.79Å; Y481-F506 HydrophobicContact CE1-CE1 3.79Å; Y481-F506 HydrophobicContact CE1-CE2 4.47Å; Y481-F506 HydrophobicContact CE1-CG 4.13Å; Y481-F506 HydrophobicContact CE1-CZ 4.13Å; V493-F506 HydrophobicContact CB-CD1 4.41Å; V493-F506 HydrophobicContact CG1-CB 4.5Å; V493-F506 HydrophobicContact CG1-CD1 3.93Å; V493-F506 WeakPolarHBondContact O-CA 3.36Å; V493-F506 WeakPolarHBondContact O-CB 3.21Å; V493-F506 PolarHBondContact O-N 2.89Å; L495-F506 HydrophobicContact CB-CB 3.81Å; L495-F506 HydrophobicContact CB-CD2 3.92Å; L495-F506 HydrophobicContact CB-CG 4.02Å; L495-F506 HydrophobicContact CD2-CD2 3.94Å; L495-F506 HydrophobicContact CD2-CE2 4.2Å; Q504-F506 PolarHBondContact O-N 3.27Å
507	Q	95.8	Very high	95.3	Very high	35 Å²	35	63.3 Å²	63.3	16%	0.164	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	151.1	-178.6	-166.5	-174.5	-1.4	0	0	110.4	D223 F224 V493 L509	D223-Q507 PolarHBondContact OD1-NE2 3.37Å; D223-Q507 PolarHBondContact OD1-OE1 2.93Å; F224-Q507 VanDerWaalsContact CB-OE1 3.31Å; F224-Q507 VanDerWaalsContact CD2-OE1 3.32Å; F224-Q507 PolarHBondContact O-NE2 3.1Å; V493-Q507 HydrophobicContact CB-CB 4.27Å; V493-Q507 PolarHBondContact N-O 3.34Å; V493-Q507 PolarHBondContact O-N 2.91Å; V493-Q507 VanDerWaalsContact O-N 3.09Å; Q507-L509 HydrophobicContact CG-CD2 4.21Å
508	E	97.6	Very high	95.6	Very high	84 Å²	84	61.2 Å²	61.2	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129	170.8	-64.8	-163.4	136.4	0	0	109.8	F490 S491 R492 L505	F490-E508 HydrophobicContact CB-CB 3.85Å; F490-E508 HydrophobicContact CB-CG 4.38Å; F490-E508 HydrophobicContact CG-CB 4.27Å; S491-E508 CarbonylContact O-C 3.26Å; S491-E508 WeakPolarHBondContact O-CA 3.35Å; R492-E508 HydrophobicContact CG-CG 4.25Å; R492-E508 IonicContact CZ-OE1 3.88Å; R492-E508 IonicContact NE-OE1 3.73Å; R492-E508 PolarHBondContact NE-OE1 3.27Å; R492-E508 IonicContact NH2-OE1 3.66Å; R492-E508 PolarHBondContact NH2-OE1 2.04Å; L505-E508 HydrophobicContact CD1-CG 4.4Å
509	L	97.5	Very high	96	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.8	-179.4	-58.7	-176.6	0	0	0	110.1	F224 L483 S491 V493 Q507 M511 Y540	F224-L509 HydrophobicContact CB-CD2 4.12Å; L483-L509 HydrophobicContact CD1-CD1 4.25Å; L483-L509 HydrophobicContact CD2-CD1 4.4Å; S491-L509 PolarHBondContact N-O 3.05Å; S491-L509 PolarHBondContact O-N 3.32Å; V493-L509 HydrophobicContact CG2-CD1 3.54Å; V493-L509 HydrophobicContact CG2-CG 3.82Å; Q507-L509 HydrophobicContact CG-CD2 4.21Å; L509-M511 HydrophobicContact CB-CE 3.62Å; L509-M511 HydrophobicContact CD1-CE 3.6Å; L509-M511 HydrophobicContact CG-CE 4.27Å; L509-M511 PolarHBondContact O-N 3.22Å; L509-Y540 HydrophobicContact CB-CE1 4.45Å; L509-Y540 HydrophobicContact CD1-CD1 4.42Å; L509-Y540 HydrophobicContact CD1-CE1 4.32Å; L509-Y540 HydrophobicContact CD1-CE2 4.48Å; L509-Y540 HydrophobicContact CD2-CD1 4.15Å; L509-Y540 HydrophobicContact CD2-CE1 3.91Å; L509-Y540 HydrophobicContact CG-CE1 4.45Å
510	N	95.5	Very high	96.5	Very high	119 Å²	119	51.2 Å²	51.2	64%	0.636	24%	0.24	S	C	*	.			trans	-89.3	95.3	177.3	-172.5	9.2	0	0	0	110.5	F490 Y540	F490-N510 HydrophobicContact CD1-CB 4.08Å; F490-N510 HydrophobicContact CE1-CB 4.08Å; N510-Y540 PolarHBondContact O-OH 2.9Å
511	M	94.1	Very high	96.7	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.059	24%	0.243	C	C	.	.			trans	-132.6	139.8	178.6	50.5	176.6	80.2	0	0	109.8	L483 S491 L509 P514 F517 A530 L538 Y540	L483-M511 HydrophobicContact CD1-CE 4.38Å; L483-M511 HydrophobicContact CD2-CE 4.06Å; S491-M511 VanDerWaalsContact CB-SD 3.5Å; S491-M511 WeakPolarHBondContact OG-CG 3.48Å; S491-M511 PolarHBondContact OG-SD 3.33Å; S491-M511 VanDerWaalsContact OG-SD 3.36Å; L509-M511 HydrophobicContact CB-CE 3.62Å; L509-M511 HydrophobicContact CD1-CE 3.6Å; L509-M511 HydrophobicContact CG-CE 4.27Å; L509-M511 PolarHBondContact O-N 3.22Å; M511-P514 HydrophobicContact CG-CB 4.31Å; M511-P514 HydrophobicContact CG-CG 4.19Å; M511-P514 HydrophobicContact SD-CB 3.6Å; M511-P514 HydrophobicContact SD-CG 3.85Å; M511-F517 HydrophobicContact CE-CE1 4.03Å; M511-F517 HydrophobicContact SD-CE1 3.57Å; M511-F517 VanDerWaalsContact SD-CE1 3.57Å; M511-F517 HydrophobicContact SD-CZ 3.84Å; M511-A530 HydrophobicContact CE-CB 4.24Å; M511-A530 HydrophobicContact SD-CB 4.47Å; M511-L538 HydrophobicContact CB-CD1 4.49Å; M511-Y540 HydrophobicContact CE-CE2 3.9Å
512	R	96.3	Very high	96.8	Very high	181 Å²	181	48 Å²	48	68%	0.683	23%	0.229	S	C	*	.	S	Bend	trans	-91.4	119.2	-177.7	-67.2	-174.3	178.5	-177	0.6	110	S532	R512-S532 PolarHBondContact O-OG 3.19Å
513	A	97.3	Very high	96.8	Very high	8 Å²	8	45.1 Å²	45.1	7%	0.066	22%	0.223	C	C	.	.	S	Bend	trans	46.8	60.9	173.3	0	0	0	0	0	114.5	D487 R515 F533 K534	D487-A513 VanDerWaalsContact OD1-CA 3.25Å; D487-A513 WeakPolarHBondContact OD1-CA 3.05Å; A513-R515 PolarHBondContact O-NH1 2.04Å; A513-F533 HydrophobicContact CB-CB 4.23Å; A513-F533 PolarHBondContact O-N 2.68Å; A513-K534 HydrophobicContact CB-CB 3.98Å; A513-K534 HydrophobicContact CB-CD 4.21Å; A513-K534 HydrophobicContact CB-CG 3.96Å
514	P	98	Very high	96.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	144.5	-178.6	29.2	-35.9	0	0	0	112.3	S486 M511 F517 A531	S486-P514 WeakPolarHBondContact O-CD 3.08Å; M511-P514 HydrophobicContact CG-CB 4.31Å; M511-P514 HydrophobicContact CG-CG 4.19Å; M511-P514 HydrophobicContact SD-CB 3.6Å; M511-P514 HydrophobicContact SD-CG 3.85Å; P514-F517 HydrophobicContact CB-CE1 3.88Å; P514-F517 HydrophobicContact CB-CZ 3.62Å; P514-F517 HydrophobicContact CG-CZ 4.19Å; P514-A531 CarbonylContact C-O 3.53Å; P514-A531 VanDerWaalsContact CA-O 3.27Å; P514-A531 WeakPolarHBondContact CA-O 3.34Å
515	R	97.7	Very high	96.5	Very high	51 Å²	51	50.7 Å²	50.7	19%	0.192	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-29.6	-177.3	-65.4	-63.5	172.9	-101.7	8.1	115.2	V235 A470 D487 A513 A531 F533	V235-R515 WeakPolarHBondContact O-CB 3.43Å; A470-R515 WeakPolarHBondContact CB-O 3.21Å; D487-R515 IonicContact OD1-CZ 3.8Å; D487-R515 IonicContact OD1-NH1 2.68Å; D487-R515 PolarHBondContact OD1-NH1 2.79Å; D487-R515 IonicContact OD1-NH2 3.66Å; D487-R515 IonicContact OD2-CZ 2.76Å; D487-R515 IonicContact OD2-NH1 3.6Å; D487-R515 PolarHBondContact OD2-NH1 2.82Å; D487-R515 IonicContact OD2-NH2 3.66Å; D487-R515 PolarHBondContact OD2-NH2 2.99Å; A513-R515 PolarHBondContact O-NH1 2.04Å; R515-A531 PolarHBondContact N-O 3.49Å; R515-F533 HydrophobicContact CG-CB 3.66Å; R515-F533 HydrophobicContact CG-CG 4.49Å
516	A	98.1	Very high	96.7	Very high	15 Å²	15	48.1 Å²	48.1	12%	0.124	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	156.4	177.6	0	0	0	0	0	109.7	V237 A531	V237-A516 HydrophobicContact CG1-CB 3.97Å; A516-A531 HydrophobicContact CB-CB 4.09Å; A516-A531 PolarHBondContact O-N 3.03Å
517	F	98.4	Very high	96.8	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.057	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.4	175.4	-52.9	-68.3	0	0	0	109.5	A470 Y472 L483 M511 P514 L528 L529 A530	A470-F517 HydrophobicContact CB-CD2 4Å; A470-F517 HydrophobicContact CB-CE2 3.51Å; A470-F517 HydrophobicContact CB-CZ 4.19Å; Y472-F517 HydrophobicContact CD1-CB 3.85Å; Y472-F517 HydrophobicContact CD2-CB 4.45Å; Y472-F517 HydrophobicContact CG-CB 3.75Å; L483-F517 HydrophobicContact CD1-CZ 4.42Å; L483-F517 HydrophobicContact CD2-CD1 3.45Å; L483-F517 VanDerWaalsContact CD2-CD1 3.45Å; L483-F517 HydrophobicContact CD2-CD2 4.05Å; L483-F517 HydrophobicContact CD2-CE1 3.38Å; L483-F517 HydrophobicContact CD2-CE2 3.96Å; L483-F517 HydrophobicContact CD2-CG 3.8Å; L483-F517 HydrophobicContact CD2-CZ 3.63Å; L483-F517 HydrophobicContact CG-CD1 4.32Å; L483-F517 HydrophobicContact CG-CD2 4.1Å; L483-F517 HydrophobicContact CG-CE1 4.03Å; L483-F517 HydrophobicContact CG-CE2 3.75Å; L483-F517 HydrophobicContact CG-CG 4.36Å; L483-F517 HydrophobicContact CG-CZ 3.71Å; M511-F517 HydrophobicContact CE-CE1 4.03Å; M511-F517 HydrophobicContact SD-CE1 3.57Å; M511-F517 VanDerWaalsContact SD-CE1 3.57Å; M511-F517 HydrophobicContact SD-CZ 3.84Å; P514-F517 HydrophobicContact CB-CE1 3.88Å; P514-F517 HydrophobicContact CB-CZ 3.62Å; P514-F517 HydrophobicContact CG-CZ 4.19Å; F517-L528 HydrophobicContact CB-CD1 4.36Å; F517-L529 WeakPolarHBondContact CA-O 3.43Å; F517-A530 HydrophobicContact CD1-CB 3.73Å; F517-A530 HydrophobicContact CE1-CB 3.79Å
518	S	98.3	Very high	96.9	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	137.8	174.4	-166.2	0	0	0	0	109.3	S239 L529	S239-S518 WeakPolarHBondContact CB-OG 3.35Å; S239-S518 PolarHBondContact N-OG 3.03Å; S239-S518 VanDerWaalsContact N-OG 3.15Å; S239-S518 PolarHBondContact OG-OG 2.77Å; S518-L529 PolarHBondContact N-O 3.36Å; S518-L529 VanDerWaalsContact N-O 3.1Å; S518-L529 WeakPolarHBondContact O-CB 3.05Å; S518-L529 PolarHBondContact O-N 3.03Å
519	L	98.2	Very high	97	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.141	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.1	176.5	-179	73.2	0	0	0	109.8	S239 Y472 F474 I475 V476 D526 L528	S239-L519 PolarHBondContact OG-O 3.33Å; Y472-L519 HydrophobicContact CE1-CB 3.93Å; Y472-L519 PolarHBondContact OH-N 3.23Å; Y472-L519 VanDerWaalsContact OH-N 3.16Å; F474-L519 HydrophobicContact CB-CD2 4.29Å; F474-L519 HydrophobicContact CD2-CD1 4.41Å; F474-L519 HydrophobicContact CD2-CD2 4.16Å; I475-L519 VanDerWaalsContact O-CD2 3.28Å; I475-L519 WeakPolarHBondContact O-CD2 3.44Å; V476-L519 HydrophobicContact CG2-CD1 4.17Å; V476-L519 HydrophobicContact CG2-CD2 4.07Å; L519-D526 HydrophobicContact CD1-CB 4.36Å; L519-L528 HydrophobicContact CD1-CB 4.4Å
520	V	97.4	Very high	97	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.5	168.3	162.9	0	0	0	0	109.3	V248 F270 V522 D526 I527 L529	V248-V520 HydrophobicContact CG2-CG2 4.32Å; F270-V520 HydrophobicContact CZ-CB 4.39Å; F270-V520 HydrophobicContact CZ-CG1 4.07Å; F270-V520 HydrophobicContact CZ-CG2 4.34Å; V520-V522 HydrophobicContact CG1-CB 3.88Å; V520-V522 HydrophobicContact CG1-CG1 3.69Å; V520-D526 CarbonylContact O-C 3.54Å; V520-D526 WeakPolarHBondContact O-CA 3.41Å; V520-I527 PolarHBondContact N-O 3.39Å; V520-I527 PolarHBondContact O-N 3.42Å; V520-L529 HydrophobicContact CG2-CD1 4.09Å
521	S	96.5	Very high	97.2	Very high	72 Å²	72	34.5 Å²	34.5	50%	0.503	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.5	167.8	-59.1	0	0	0	0	108.8	K525 D526	S521-K525 CarbonylContact C-O 3.46Å; S521-K525 WeakPolarHBondContact CA-O 3.25Å; S521-D526 WeakPolarHBondContact CB-OD1 3.29Å; S521-D526 PolarHBondContact OG-OD1 3.45Å
522	V	96.5	Very high	97.4	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.073	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	138	-175.4	67.2	0	0	0	0	110.7	Q246 W263 V520 N524 K525 I527	Q246-V522 HydrophobicContact CB-CG2 4.21Å; Q246-V522 HydrophobicContact CG-CB 4.08Å; Q246-V522 HydrophobicContact CG-CG2 3.85Å; W263-V522 HydrophobicContact CB-CG2 4.39Å; W263-V522 HydrophobicContact CD2-CB 4.46Å; W263-V522 HydrophobicContact CD2-CG1 3.59Å; W263-V522 HydrophobicContact CD2-CG2 4.04Å; W263-V522 HydrophobicContact CE3-CG1 3.85Å; W263-V522 HydrophobicContact CG-CG1 4.08Å; W263-V522 HydrophobicContact CG-CG2 3.69Å; W263-V522 HydrophobicContact CH2-CG1 4.07Å; W263-V522 HydrophobicContact CZ2-CG1 3.84Å; W263-V522 HydrophobicContact CZ3-CG1 4.09Å; V520-V522 HydrophobicContact CG1-CB 3.88Å; V520-V522 HydrophobicContact CG1-CG1 3.69Å; V522-N524 VanDerWaalsContact C-N 3.28Å; V522-N524 PolarHBondContact O-N 3.15Å; V522-N524 VanDerWaalsContact O-N 3.16Å; V522-K525 PolarHBondContact N-O 3.44Å; V522-K525 WeakPolarHBondContact O-CA 3.39Å; V522-K525 VanDerWaalsContact O-CB 3.3Å; V522-K525 WeakPolarHBondContact O-CB 3.28Å; V522-K525 PolarHBondContact O-N 2.95Å; V522-I527 HydrophobicContact CG1-CD1 4.29Å
523	D	94.9	Very high	97.4	Very high	65 Å²	65	29.1 Å²	29.1	35%	0.348	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	45.4	179.6	-66.5	-25.6	0	0	0	114.6	W263 H265 M268 K525	W263-D523 HydrophobicContact CZ2-CB 4.49Å; W263-D523 PolarHBondContact NE1-OD2 3.09Å; H265-D523 IonicContact CE1-OD1 3.37Å; H265-D523 IonicContact CE1-OD2 3.81Å; H265-D523 IonicContact CG-OD2 2.67Å; H265-D523 VanDerWaalsContact ND1-CG 3.34Å; H265-D523 IonicContact ND1-OD1 2.66Å; H265-D523 PolarHBondContact ND1-OD1 3.42Å; H265-D523 IonicContact ND1-OD2 2.8Å; H265-D523 PolarHBondContact ND1-OD2 3.16Å; M268-D523 HydrophobicContact CE-CB 4.21Å; M268-D523 HydrophobicContact SD-CB 3.8Å; D523-K525 PolarHBondContact O-N 3.44Å
524	N	92.6	Very high	97.3	Very high	175 Å²	175	35.3 Å²	35.3	94%	0.936	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	24.3	-175.7	-56.4	-50.7	0	0	0	114.5	V522	V522-N524 VanDerWaalsContact C-N 3.28Å; V522-N524 PolarHBondContact O-N 3.15Å; V522-N524 VanDerWaalsContact O-N 3.16Å
525	K	95.9	Very high	97.2	Very high	43 Å²	43	35.8 Å²	35.8	19%	0.187	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.3	172.7	-61.1	167.3	175.3	-82.6	0	109.1	Y227 W263 S521 V522 D523 I527	Y227-K525 PolarHBondContact OH-NZ 3.15Å; W263-K525 HydrophobicContact CH2-CD 3.9Å; W263-K525 HydrophobicContact CZ2-CD 4.07Å; S521-K525 CarbonylContact C-O 3.46Å; S521-K525 WeakPolarHBondContact CA-O 3.25Å; V522-K525 PolarHBondContact N-O 3.44Å; V522-K525 WeakPolarHBondContact O-CA 3.39Å; V522-K525 VanDerWaalsContact O-CB 3.3Å; V522-K525 WeakPolarHBondContact O-CB 3.28Å; V522-K525 PolarHBondContact O-N 2.95Å; D523-K525 PolarHBondContact O-N 3.44Å; K525-I527 HydrophobicContact CB-CD1 4.3Å; K525-I527 HydrophobicContact CB-CG1 4.1Å
526	D	97.9	Very high	97.1	Very high	40 Å²	40	37.3 Å²	37.3	21%	0.214	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.3	167.3	-62.1	-68.3	0	0	0	108.3	V476 L519 V520 S521 H542	V476-D526 HydrophobicContact CG1-CB 3.8Å; V476-D526 VanDerWaalsContact CG1-OD2 3.25Å; V476-D526 WeakPolarHBondContact CG1-OD2 3.17Å; V476-D526 HydrophobicContact CG2-CB 4.12Å; L519-D526 HydrophobicContact CD1-CB 4.36Å; V520-D526 CarbonylContact O-C 3.54Å; V520-D526 WeakPolarHBondContact O-CA 3.41Å; S521-D526 WeakPolarHBondContact CB-OD1 3.29Å; S521-D526 PolarHBondContact OG-OD1 3.45Å; D526-H542 HydrophobicContact CB-CB 4.02Å; D526-H542 PolarHBondContact O-N 3.27Å
527	I	98.3	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.5	-173	-57	176.7	0	0	0	109.2	Y227 W263 F270 V520 V522 K525 A539 Y540	Y227-I527 HydrophobicContact CD1-CD1 4.14Å; Y227-I527 HydrophobicContact CE1-CD1 4.02Å; W263-I527 HydrophobicContact CE3-CD1 4.34Å; W263-I527 HydrophobicContact CH2-CD1 3.61Å; W263-I527 HydrophobicContact CZ3-CD1 3.39Å; F270-I527 HydrophobicContact CE2-CD1 4.15Å; F270-I527 HydrophobicContact CE2-CG2 4.34Å; V520-I527 PolarHBondContact N-O 3.39Å; V520-I527 PolarHBondContact O-N 3.42Å; V522-I527 HydrophobicContact CG1-CD1 4.29Å; K525-I527 HydrophobicContact CB-CD1 4.3Å; K525-I527 HydrophobicContact CB-CG1 4.1Å; I527-A539 HydrophobicContact CG2-CB 3.72Å; I527-Y540 CarbonylContact C-O 3.56Å; I527-Y540 WeakPolarHBondContact CA-O 3.19Å
528	L	98.6	Very high	97.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	109.3	175.5	-178.7	66.4	0	0	0	110.2	F224 Y472 F474 L483 F517 L519 A539 Y540	F224-L528 HydrophobicContact CD1-CB 4.45Å; F224-L528 HydrophobicContact CD1-CD2 4.22Å; F224-L528 HydrophobicContact CE1-CB 4.49Å; F224-L528 HydrophobicContact CE1-CD2 4.2Å; Y472-L528 HydrophobicContact CD1-CD1 4Å; Y472-L528 HydrophobicContact CE1-CD1 4.1Å; F474-L528 HydrophobicContact CE1-CD2 4.27Å; F474-L528 HydrophobicContact CE2-CD2 4.5Å; F474-L528 HydrophobicContact CZ-CD2 3.93Å; L483-L528 HydrophobicContact CD2-CD2 3.65Å; L483-L528 HydrophobicContact CD2-CG 4.46Å; F517-L528 HydrophobicContact CB-CD1 4.36Å; L519-L528 HydrophobicContact CD1-CB 4.4Å; L528-A539 CarbonylContact O-C 3.57Å; L528-A539 WeakPolarHBondContact O-CA 3.36Å; L528-Y540 PolarHBondContact N-O 3.23Å; L528-Y540 PolarHBondContact O-N 2.75Å
529	L	98.6	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.2	176.7	-59.2	154.3	0	0	0	109.9	F230 V237 V248 F250 F270 F517 S518 V520 A539	F230-L529 HydrophobicContact CE2-CD2 4.01Å; F230-L529 HydrophobicContact CZ-CD2 4.33Å; V237-L529 HydrophobicContact CG1-CB 4.43Å; V237-L529 HydrophobicContact CG2-CB 3.82Å; V237-L529 HydrophobicContact CG2-CD1 4.05Å; V237-L529 HydrophobicContact CG2-CG 4.5Å; V248-L529 HydrophobicContact CB-CD1 4.27Å; V248-L529 HydrophobicContact CG1-CD1 3.66Å; V248-L529 HydrophobicContact CG2-CD1 3.52Å; F250-L529 HydrophobicContact CZ-CD2 4.3Å; F270-L529 HydrophobicContact CE2-CD2 4.34Å; F517-L529 WeakPolarHBondContact CA-O 3.43Å; S518-L529 PolarHBondContact N-O 3.36Å; S518-L529 VanDerWaalsContact N-O 3.1Å; S518-L529 WeakPolarHBondContact O-CB 3.05Å; S518-L529 PolarHBondContact O-N 3.03Å; V520-L529 HydrophobicContact CG2-CD1 4.09Å; L529-A539 HydrophobicContact CD2-CB 4.01Å
530	A	98.5	Very high	97.2	Very high	3 Å²	3	36 Å²	36	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	105.8	-177.6	0	0	0	0	0	111	M511 F517 T537 L538 Y540	M511-A530 HydrophobicContact CE-CB 4.24Å; M511-A530 HydrophobicContact SD-CB 4.47Å; F517-A530 HydrophobicContact CD1-CB 3.73Å; F517-A530 HydrophobicContact CE1-CB 3.79Å; A530-T537 WeakPolarHBondContact O-CG2 3.45Å; A530-L538 PolarHBondContact N-O 3.15Å; A530-L538 PolarHBondContact O-N 2.97Å; A530-L538 VanDerWaalsContact O-N 3.08Å; A530-Y540 HydrophobicContact CB-CE2 4.24Å
531	A	98.4	Very high	97.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.8	175	0	0	0	0	0	110.9	S234 V237 P514 R515 A516	S234-A531 VanDerWaalsContact OG-CA 3.28Å; S234-A531 WeakPolarHBondContact OG-CA 3.43Å; S234-A531 VanDerWaalsContact OG-CB 3.23Å; S234-A531 WeakPolarHBondContact OG-CB 3.48Å; V237-A531 HydrophobicContact CB-CB 4.21Å; V237-A531 HydrophobicContact CG1-CB 3.96Å; P514-A531 CarbonylContact C-O 3.53Å; P514-A531 VanDerWaalsContact CA-O 3.27Å; P514-A531 WeakPolarHBondContact CA-O 3.34Å; R515-A531 PolarHBondContact N-O 3.49Å; A516-A531 HydrophobicContact CB-CB 4.09Å; A516-A531 PolarHBondContact O-N 3.03Å
532	S	97.9	Very high	97.2	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.8	-177.5	178.6	0	0	0	0	111.5	Q233 S234 R512 G535 N536	Q233-S532 CarbonylContact C-O 3.43Å; Q233-S532 VanDerWaalsContact CA-O 3.27Å; Q233-S532 WeakPolarHBondContact CA-O 3.49Å; S234-S532 PolarHBondContact N-O 2.91Å; S234-S532 CarbonylContact O-C 3.56Å; S234-S532 PolarHBondContact O-N 3.35Å; S234-S532 VanDerWaalsContact O-O 3.05Å; R512-S532 PolarHBondContact O-OG 3.19Å; S532-G535 VanDerWaalsContact OG-C 3.3Å; S532-G535 VanDerWaalsContact OG-CA 3.27Å; S532-G535 WeakPolarHBondContact OG-CA 3.46Å; S532-G535 PolarHBondContact OG-N 3.4Å; S532-G535 PolarHBondContact OG-O 2.8Å; S532-N536 WeakPolarHBondContact CB-O 3.5Å
533	F	97.1	Very high	97.1	Very high	76 Å²	76	37.6 Å²	37.6	33%	0.333	19%	0.189	S	C	.	.	S	Bend	trans	-79.5	-26.7	-179.9	-176.9	-120	0	0	0	114	Q233 V235 A513 R515	Q233-F533 PolarHBondContact OE1-O 3.31Å; V235-F533 HydrophobicContact CG1-CD2 3.54Å; V235-F533 HydrophobicContact CG1-CE2 4.04Å; A513-F533 HydrophobicContact CB-CB 4.23Å; A513-F533 PolarHBondContact O-N 2.68Å; R515-F533 HydrophobicContact CG-CB 3.66Å; R515-F533 HydrophobicContact CG-CG 4.49Å
534	K	95.4	Very high	96.9	Very high	138 Å²	138	40.6 Å²	40.6	60%	0.6	20%	0.204	S	C	*	.	S	Bend	trans	-122.4	-4.4	-175	-68.6	-171.3	176	179.8	0	114.2	A513	A513-K534 HydrophobicContact CB-CB 3.98Å; A513-K534 HydrophobicContact CB-CD 4.21Å; A513-K534 HydrophobicContact CB-CG 3.96Å
535	G	95.1	Very high	96.6	Very high	10 Å²	10	33.7 Å²	33.7	10%	0.103	17%	0.168	C	C	.	.	S	Bend	trans	-134.3	-167.2	-179.2	0	0	0	0	0	111.3	Q233 S532	Q233-G535 VanDerWaalsContact CG-O 3.25Å; Q233-G535 WeakPolarHBondContact CG-O 3.32Å; S532-G535 VanDerWaalsContact OG-C 3.3Å; S532-G535 VanDerWaalsContact OG-CA 3.27Å; S532-G535 WeakPolarHBondContact OG-CA 3.46Å; S532-G535 PolarHBondContact OG-N 3.4Å; S532-G535 PolarHBondContact OG-O 2.8Å
536	N	97.1	Very high	96	Very high	84 Å²	84	35.2 Å²	35.2	45%	0.449	18%	0.178	S	C	.	.			trans	-70.3	140.1	172.5	-66.5	-11.6	0	0	0	109.5	T229 F230 S532	T229-N536 HydrophobicContact CG2-CB 3.7Å; T229-N536 WeakPolarHBondContact CG2-ND2 3.29Å; F230-N536 WeakPolarHBondContact O-CB 3.37Å; S532-N536 WeakPolarHBondContact CB-O 3.5Å
537	T	98.1	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.7	166.7	-61.3	0	0	0	0	108.5	F230 F232 S234 F250 A530	F230-T537 HydrophobicContact CB-CG2 4.34Å; F230-T537 WeakPolarHBondContact CB-O 3.18Å; F230-T537 HydrophobicContact CD2-CG2 3.92Å; F230-T537 HydrophobicContact CG-CG2 4.46Å; F230-T537 PolarHBondContact N-O 2.95Å; F230-T537 PolarHBondContact O-N 3.37Å; F232-T537 HydrophobicContact CE2-CG2 4.22Å; F232-T537 PolarHBondContact O-N 3.37Å; F232-T537 PolarHBondContact O-OG1 2.69Å; S234-T537 PolarHBondContact OG-OG1 3.35Å; F250-T537 HydrophobicContact CD1-CG2 3.95Å; F250-T537 HydrophobicContact CE1-CG2 3.45Å; F250-T537 VanDerWaalsContact CE1-CG2 3.45Å; F250-T537 HydrophobicContact CZ-CG2 4.15Å; A530-T537 WeakPolarHBondContact O-CG2 3.45Å
538	L	98.3	Very high	94.1	Very high	23 Å²	23	37.9 Å²	37.9	12%	0.12	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.9	-170.9	-62.5	173.6	0	0	0	111.3	T229 M511 A530 Y540	T229-L538 HydrophobicContact CG2-CD2 3.91Å; M511-L538 HydrophobicContact CB-CD1 4.49Å; A530-L538 PolarHBondContact N-O 3.15Å; A530-L538 PolarHBondContact O-N 2.97Å; A530-L538 VanDerWaalsContact O-N 3.08Å; L538-Y540 HydrophobicContact CB-CD2 4.37Å; L538-Y540 HydrophobicContact CB-CE2 3.76Å; L538-Y540 HydrophobicContact CD1-CE2 4.07Å; L538-Y540 VanDerWaalsContact CD1-OH 3.29Å; L538-Y540 WeakPolarHBondContact CD1-OH 3.44Å
539	A	98.3	Very high	92.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.1	163	0	0	0	0	0	109.1	Y227 E228 F230 I527 L528 L529	Y227-A539 PolarHBondContact N-O 3.1Å; E228-A539 HydrophobicContact CB-CB 3.95Å; E228-A539 PolarHBondContact N-O 3.05Å; E228-A539 PolarHBondContact O-N 3.34Å; F230-A539 HydrophobicContact CE2-CB 4.01Å; I527-A539 HydrophobicContact CG2-CB 3.72Å; L528-A539 CarbonylContact O-C 3.57Å; L528-A539 WeakPolarHBondContact O-CA 3.36Å; L529-A539 HydrophobicContact CD2-CB 4.01Å
540	Y	98.5	Very high	90.4	Very high	8 Å²	8	50.3 Å²	50.3	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.8	174.4	-65.9	-97.4	0	0	0	109.8	F224 A225 V226 L509 N510 M511 I527 L528 A530 L538	F224-Y540 HydrophobicContact CB-CD1 4.44Å; A225-Y540 CarbonylContact O-C 3.48Å; A225-Y540 WeakPolarHBondContact O-CA 3.43Å; V226-Y540 HydrophobicContact CG2-CD1 4.03Å; V226-Y540 HydrophobicContact CG2-CE1 3.56Å; L509-Y540 HydrophobicContact CB-CE1 4.45Å; L509-Y540 HydrophobicContact CD1-CD1 4.42Å; L509-Y540 HydrophobicContact CD1-CE1 4.32Å; L509-Y540 HydrophobicContact CD1-CE2 4.48Å; L509-Y540 HydrophobicContact CD2-CD1 4.15Å; L509-Y540 HydrophobicContact CD2-CE1 3.91Å; L509-Y540 HydrophobicContact CG-CE1 4.45Å; N510-Y540 PolarHBondContact O-OH 2.9Å; M511-Y540 HydrophobicContact CE-CE2 3.9Å; I527-Y540 CarbonylContact C-O 3.56Å; I527-Y540 WeakPolarHBondContact CA-O 3.19Å; L528-Y540 PolarHBondContact N-O 3.23Å; L528-Y540 PolarHBondContact O-N 2.75Å; A530-Y540 HydrophobicContact CB-CE2 4.24Å; L538-Y540 HydrophobicContact CB-CD2 4.37Å; L538-Y540 HydrophobicContact CB-CE2 3.76Å; L538-Y540 HydrophobicContact CD1-CE2 4.07Å; L538-Y540 VanDerWaalsContact CD1-OH 3.29Å; L538-Y540 WeakPolarHBondContact CD1-OH 3.44Å
541	Q	97.9	Very high	90	Very high	37 Å²	37	52.7 Å²	52.7	17%	0.173	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.2	172	-174	-176.9	2.6	0	0	109.6	F224 A225 Y227 L543	F224-Q541 WeakPolarHBondContact CA-O 3.43Å; A225-Q541 PolarHBondContact N-O 3.13Å; A225-Q541 PolarHBondContact O-N 2.7Å; Y227-Q541 HydrophobicContact CD2-CB 3.77Å; Y227-Q541 HydrophobicContact CD2-CG 4.36Å; Y227-Q541 VanDerWaalsContact CD2-OE1 3.25Å; Y227-Q541 HydrophobicContact CG-CB 4.06Å; Q541-L543 VanDerWaalsContact CD-CD2 3.49Å; Q541-L543 HydrophobicContact CG-CD2 3.88Å; Q541-L543 HydrophobicContact CG-CG 4.4Å
542	H	97.5	Very high	89.5	Confident	19 Å²	19	55.4 Å²	55.4	9%	0.088	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124	166.6	-176.3	-90.4	0	0	0	110.1	A222 F224 V476 Y481 D526	A222-H542 WeakPolarHBondContact CB-NE2 3.34Å; F224-H542 HydrophobicContact CD1-CB 4.33Å; F224-H542 HydrophobicContact CE1-CB 4.07Å; F224-H542 AromaticContact CE1-CD2 3.77Å; F224-H542 AromaticContact CE2-CD2 3.92Å; F224-H542 AromaticContact CZ-CD2 3.49Å; F224-H542 VanDerWaalsContact CZ-CD2 3.49Å; F224-H542 WeakPolarHBondContact CZ-CD2 3.3Å; V476-H542 HydrophobicContact CG1-CB 4.21Å; V476-H542 WeakPolarHBondContact CG1-ND1 3.45Å; Y481-H542 AromaticContact CE2-NE2 3.73Å; Y481-H542 AromaticContact CZ-NE2 3.75Å; Y481-H542 PolarHBondContact OH-NE2 3.47Å; D526-H542 HydrophobicContact CB-CB 4.02Å; D526-H542 PolarHBondContact O-N 3.27Å
543	L	94.9	Very high	89.1	Confident	62 Å²	62	58.3 Å²	58.3	33%	0.325	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.7	-179.1	-61.5	175.9	0	0	0	109.3	A222 D223 A225 Q541	A222-L543 CarbonylContact C-O 3.58Å; A222-L543 WeakPolarHBondContact CA-O 3.27Å; A222-L543 WeakPolarHBondContact CB-O 3.33Å; D223-L543 PolarHBondContact N-O 3.06Å; D223-L543 PolarHBondContact O-N 2.54Å; A225-L543 HydrophobicContact CB-CD1 3.75Å; Q541-L543 VanDerWaalsContact CD-CD2 3.49Å; Q541-L543 HydrophobicContact CG-CD2 3.88Å; Q541-L543 HydrophobicContact CG-CG 4.4Å
544	I	90.2	Very high	88.6	Confident	128 Å²	128	57.2 Å²	57.2	66%	0.656	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.1	170	-60.3	178.4	0	0	0	108.4	I220	I220-I544 HydrophobicContact CG2-CG2 3.39Å
545	V	86.1	Confident	88.2	Confident	30 Å²	30	52.2 Å²	52.2	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.7	-177.1	-175.4	0	0	0	0	110.1	S221 D223 L547	S221-V545 PolarHBondContact N-O 3.39Å; S221-V545 PolarHBondContact O-N 2.95Å; D223-V545 HydrophobicContact CB-CG2 3.91Å; V545-L547 HydrophobicContact CG1-CD2 4.17Å
546	D	83.1	Confident	87.7	Confident	75 Å²	75	55 Å²	55	40%	0.401	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	107.9	169.4	-172.3	-7.4	0	0	0	110.5	S548 A549	D546-S548 VanDerWaalsContact CG-OG 3.24Å; D546-S548 PolarHBondContact O-N 2.82Å; D546-S548 VanDerWaalsContact OD1-CB 3.31Å; D546-S548 WeakPolarHBondContact OD1-CB 3.21Å; D546-S548 PolarHBondContact OD1-N 2.85Å; D546-S548 PolarHBondContact OD1-OG 3.46Å; D546-S548 PolarHBondContact OD2-OG 2.82Å; D546-A549 PolarHBondContact O-N 2.96Å
547	L	81.7	Confident	87	Confident	68 Å²	68	52.9 Å²	52.9	36%	0.356	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11	178.9	-60.9	179.1	0	0	0	113.4	C177 C219 V545 A549	C177-L547 HydrophobicContact CB-CB 3.79Å; C219-L547 HydrophobicContact CB-CB 4.37Å; C219-L547 WeakPolarHBondContact O-CB 3.38Å; C219-L547 WeakPolarHBondContact O-CG 3.36Å; C219-L547 PolarHBondContact O-N 3.44Å; V545-L547 HydrophobicContact CG1-CD2 4.17Å; L547-A549 VanDerWaalsContact C-N 3.34Å
548	S	75	Confident	86.2	Confident	28 Å²	28	57 Å²	57	20%	0.196	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.3	176.5	72	0	0	0	0	113.5	D546	D546-S548 VanDerWaalsContact CG-OG 3.24Å; D546-S548 PolarHBondContact O-N 2.82Å; D546-S548 VanDerWaalsContact OD1-CB 3.31Å; D546-S548 WeakPolarHBondContact OD1-CB 3.21Å; D546-S548 PolarHBondContact OD1-N 2.85Å; D546-S548 PolarHBondContact OD1-OG 3.46Å; D546-S548 PolarHBondContact OD2-OG 2.82Å
549	A	63.8	Low	85.2	Confident	76 Å²	76	59.8 Å²	59.8	63%	0.628	32%	0.321	S	S	*	.			trans	-93.2	-6.4	-177.7	0	0	0	0	0	114.3	D546 L547	D546-A549 PolarHBondContact O-N 2.96Å; L547-A549 VanDerWaalsContact C-N 3.34Å
550	K	55	Low	84	Confident	187 Å²	187	65.3 Å²	65.3	81%	0.813	35%	0.35	S	S	*	.			trans	-102.5	0	178	-73.4	-173.6	178.8	178.8	0	111.2

Retrieved 550 of 550 residues in 2521 ms (Link to these results)

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