A0A087YIA7_POEFO Loading...

Leucine-rich repeat LGI family, member 3

AlphaFold DB , UniProt , Accession A0A087YIA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 549 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	34.8	Very low	250 Å²	250	162.6 Å²	162.6	100%	1.232	81%	0.805	S	S	*	*				0	101.7	0	-89.9	171.3	171.4	0	0	109.1
2	L	32.9	Very low	34.5	Very low	164 Å²	164	159.3 Å²	159.3	86%	0.859	79%	0.791	S	S	*	*			trans	-78.5	-179.1	149.1	-96	161.9	0	0	0	107.9
3	P	57.4	Low	34.1	Very low	95 Å²	95	158.2 Å²	158.2	62%	0.617	79%	0.786	S	S	*	*			cis	-141.5	179.2	-3	20.4	5.9	0	0	0	114.9
4	K	34.4	Very low	33.7	Very low	192 Å²	192	158.1 Å²	158.1	84%	0.835	78%	0.778	S	S	*	*				165.9	151.8	116.7	-90.3	-175.5	-179.6	-179.6	0	110
5	L	34.4	Very low	33.3	Very low	157 Å²	157	157.9 Å²	157.9	82%	0.822	78%	0.777	S	S	*	*			cis	179.6	151.7	-25.7	-149.3	91.3	0	0	0	106.7
6	G	28.4	Very low	33.1	Very low	68 Å²	68	154.2 Å²	154.2	70%	0.701	77%	0.772	S	S	*	*			trans	144.4	79.5	158.8	0	0	0	0	0	113.3
7	S	35.4	Very low	33.6	Very low	103 Å²	103	153.2 Å²	153.2	72%	0.72	78%	0.776	S	S	*	*				66.5	135	80	174	0	0	0	0	113.8
8	R	33.6	Very low	33.6	Very low	205 Å²	205	152.4 Å²	152.4	77%	0.774	78%	0.78	S	S	*	*			cis	-176	150	-7.3	-95.2	172.1	158.2	179.8	-6.7	102.2
9	W	29.6	Very low	33.7	Very low	200 Å²	200	149.6 Å²	149.6	76%	0.758	77%	0.774	S	S	*	*				-175.7	140.8	79.5	-97.3	79	0	0	0	110.2
10	L	30.9	Very low	33.7	Very low	137 Å²	137	150.4 Å²	150.4	72%	0.717	78%	0.778	S	S	*	*			trans	-97.1	156.1	172.1	-124.4	79.3	0	0	0	109.6	L12	L10-L12 HydrophobicContact CD2-CD1 3.82Å
11	R	29	Very low	33.9	Very low	218 Å²	218	148.2 Å²	148.2	82%	0.823	78%	0.775	S	S	*	*			trans	176.1	109	132.8	-95.5	165.7	-171.2	-142.8	2.5	108.5
12	L	30.8	Very low	33.8	Very low	122 Å²	122	144.2 Å²	144.2	64%	0.639	76%	0.758	S	S	*	*				66.9	110.3	76.2	-85.7	134.1	0	0	0	115.8	L10	L10-L12 HydrophobicContact CD2-CD1 3.82Å
13	M	29.3	Very low	34	Very low	146 Å²	146	142.3 Å²	142.3	72%	0.719	76%	0.757	S	S	*	*				98.6	127.9	120.7	-95.3	-176.2	176	0	0	124.1
14	F	28.9	Very low	33	Very low	156 Å²	156	145.4 Å²	145.4	68%	0.684	77%	0.767	S	S	*	*			trans	89.3	133.7	131.9	-99.2	-67.5	0	0	0	123.4
15	M	27.4	Very low	33.2	Very low	155 Å²	155	142.1 Å²	142.1	76%	0.764	77%	0.766	S	S	*	*			trans	68.3	150.9	151.6	-67.7	-50.3	-160	0	0	117.5
16	S	30.6	Very low	33.5	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	77%	0.766	S	S	*	*			cis	-175.8	153.2	-18.2	48.2	0	0	0	0	104.8
17	V	41.5	Very low	33.8	Very low	137 Å²	137	143 Å²	143	83%	0.83	77%	0.769	S	S	*	*			trans	-31.2	136	168.3	179	0	0	0	0	114.6
18	V	32.6	Very low	34	Very low	140 Å²	140	143.1 Å²	143.1	85%	0.848	77%	0.77	S	S	*	*			trans	-160.2	137.9	133.5	151.2	0	0	0	0	109.6
19	C	36.5	Very low	34.2	Very low	99 Å²	99	142.9 Å²	142.9	67%	0.669	77%	0.77	S	S	*	*			trans	-72.4	143.6	-175.5	-161.2	0	0	0	0	113
20	L	33.3	Very low	34.9	Very low	164 Å²	164	138.9 Å²	138.9	86%	0.859	77%	0.768	S	S	*	*			trans	-146.5	115.7	149.9	-132	97.7	0	0	0	110.5
21	C	38	Very low	35.7	Very low	106 Å²	106	142 Å²	142	72%	0.716	78%	0.776	S	S	*	*			trans	-63.1	128.7	173.6	-67.4	0	0	0	0	111.4
22	L	34.7	Very low	36.5	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	78%	0.776	S	S	*	*			trans	-130.9	112.3	153.4	-82.9	167.1	0	0	0	108.5
23	C	38.3	Very low	37.5	Very low	124 Å²	124	138.7 Å²	138.7	84%	0.838	78%	0.777	S	S	*	*			trans	-65.2	126.4	174.3	-61	0	0	0	0	110.2
24	L	36	Very low	38.7	Very low	161 Å²	161	137.5 Å²	137.5	84%	0.843	78%	0.781	S	S	*	*			trans	-123.8	147.2	159.9	-73.7	172.8	0	0	0	109.2
25	P	37.5	Very low	40.3	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-72.3	142.5	-163	-9.7	26.4	0	0	0	111.7	E27	P25-E27 PolarHBondContact O-N 3.36Å
26	G	40.6	Very low	42.1	Very low	81 Å²	81	137 Å²	137	84%	0.835	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-63.7	122.6	-177.6	0	0	0	0	0	113.4
27	E	35.4	Very low	44.3	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.752	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-78.8	117.8	150.7	-76.2	-171.1	155.3	0	0	108.1	P25 Y29	P25-E27 PolarHBondContact O-N 3.36Å; E27-Y29 VanDerWaalsContact C-N 3.33Å; E27-Y29 PolarHBondContact O-N 2.88Å
28	S	39.3	Very low	46.3	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	77%	0.765	S	S	*	*			trans	-65.3	95.3	172	72.5	0	0	0	0	109	T30	S28-T30 PolarHBondContact O-N 2.87Å
29	Y	38.9	Very low	49.1	Very low	200 Å²	200	134.2 Å²	134.2	78%	0.784	74%	0.739	S	S	*	*			trans	-66.3	91.4	157.8	-87	-86.5	0	0	0	107.5	E27 K31	E27-Y29 VanDerWaalsContact C-N 3.33Å; E27-Y29 PolarHBondContact O-N 2.88Å; Y29-K31 VanDerWaalsContact C-N 3.27Å; Y29-K31 PolarHBondContact O-N 2.81Å
30	T	44.3	Very low	51.7	Low	116 Å²	116	130.4 Å²	130.4	71%	0.712	71%	0.714	S	S	*	*			trans	-59.5	98.8	159.1	46.4	0	0	0	0	106.5	S28 K32	S28-T30 PolarHBondContact O-N 2.87Å; T30-K32 VanDerWaalsContact C-N 3.27Å; T30-K32 PolarHBondContact O-N 2.87Å
31	K	45.8	Very low	54.4	Low	202 Å²	202	128 Å²	128	88%	0.878	72%	0.717	S	S	*	*			trans	-57.6	98.2	164.6	-78.8	-176.4	178.1	178.2	0	106.1	Y29 A33	Y29-K31 VanDerWaalsContact C-N 3.27Å; Y29-K31 PolarHBondContact O-N 2.81Å; K31-A33 PolarHBondContact O-N 3.05Å
32	K	47.3	Very low	57	Low	191 Å²	191	125.8 Å²	125.8	83%	0.83	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-53.4	118.1	167.8	-79.4	179.8	177.4	171.2	0	106.2	T30	T30-K32 VanDerWaalsContact C-N 3.27Å; T30-K32 PolarHBondContact O-N 2.87Å
33	A	50.8	Low	59.8	Low	80 Å²	80	118.8 Å²	118.8	66%	0.661	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-49.5	138.4	173.1	0	0	0	0	0	108.8	K31 K35	K31-A33 PolarHBondContact O-N 3.05Å; A33-K35 PolarHBondContact O-N 2.98Å; A33-K35 VanDerWaalsContact O-N 3.08Å
34	P	55.2	Low	62.5	Low	122 Å²	122	117 Å²	117	79%	0.792	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-53.7	122.4	179	18.4	-27.9	0	0	0	108.6	V36	P34-V36 PolarHBondContact O-N 3.08Å
35	K	62.6	Low	65.2	Low	197 Å²	197	111 Å²	111	86%	0.857	63%	0.625	S	S	*	*			trans	-59.7	111.8	176.9	-76.6	-176.4	177.8	179.1	0	107	A33 P37	A33-K35 PolarHBondContact O-N 2.98Å; A33-K35 VanDerWaalsContact O-N 3.08Å; K35-P37 WeakPolarHBondContact O-CD 3.49Å; K35-P37 VanDerWaalsContact O-N 3.15Å
36	V	65.7	Low	67.9	Low	103 Å²	103	108.6 Å²	108.6	62%	0.624	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-54.2	121.4	174.6	-178.9	0	0	0	0	107.4	P34 R38 P64	P34-V36 PolarHBondContact O-N 3.08Å; V36-R38 PolarHBondContact O-N 2.88Å; V36-P64 HydrophobicContact CG1-CG 4.23Å
37	P	75.2	Confident	70.2	Confident	51 Å²	51	113.8 Å²	113.8	33%	0.331	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-56.7	128.5	179.3	15.5	-25.3	0	0	0	109.4	K35 S61 F62	K35-P37 WeakPolarHBondContact O-CD 3.49Å; K35-P37 VanDerWaalsContact O-N 3.15Å; P37-S61 VanDerWaalsContact CB-OG 3.31Å; P37-S61 WeakPolarHBondContact CB-OG 3.3Å; P37-F62 VanDerWaalsContact CB-O 3.32Å; P37-F62 WeakPolarHBondContact CB-O 3.25Å; P37-F62 WeakPolarHBondContact CG-O 3.31Å
38	R	84.7	Confident	73	Confident	220 Å²	220	110 Å²	110	83%	0.83	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-78.4	152.7	-176.6	-68.4	-178.7	178.7	173.3	-3	109.9	V36	V36-R38 PolarHBondContact O-N 2.88Å
39	C	90.3	Very high	75.6	Confident	46 Å²	46	106.8 Å²	106.8	31%	0.311	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-59.5	135.4	170.1	-171.3	0	0	0	0	110.1	C43 C45 P63	C39-C43 PolarHBondContact SG-O 3.28Å; C39-C45 HydrophobicContact CB-CB 3.69Å; C39-C45 WeakPolarHBondContact CB-SG 3.32Å; C39-C45 WeakPolarHBondContact SG-CB 3.31Å; C39-C45 PolarHBondContact SG-N 2.95Å; C39-C45 CovalentContact SG-SG 2.04Å; C39-C45 PolarHBondContact SG-SG 3.48Å; C39-P63 HydrophobicContact CB-CG 4.41Å
40	P	92.1	Very high	78.4	Confident	20 Å²	20	97.4 Å²	97.4	13%	0.13	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-58.1	148	174.5	-21.9	30.9	0	0	0	112.2	T42 C43 P59 S61 F62	P40-T42 PolarHBondContact O-N 3.23Å; P40-C43 HydrophobicContact CB-CB 4.11Å; P40-C43 HydrophobicContact CG-CB 4.29Å; P40-C43 PolarHBondContact O-N 2.99Å; P40-C43 VanDerWaalsContact O-O 3.1Å; P40-P59 HydrophobicContact CB-CB 3.87Å; P40-P59 HydrophobicContact CB-CG 4.04Å; P40-P59 HydrophobicContact CG-CB 3.46Å; P40-P59 VanDerWaalsContact CG-CB 3.46Å; P40-P59 HydrophobicContact CG-CG 3.94Å; P40-S61 WeakPolarHBondContact CD-O 3.49Å; P40-S61 VanDerWaalsContact CG-O 3.28Å; P40-S61 WeakPolarHBondContact CG-O 3.27Å; P40-F62 HydrophobicContact CG-CD1 4.08Å; P40-F62 HydrophobicContact CG-CE1 3.86Å; P40-F62 HydrophobicContact CG-CZ 4.19Å
41	A	89.5	Confident	80.8	Confident	112 Å²	112	96.7 Å²	96.7	93%	0.926	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.4	-176.9	0	0	0	0	0	114.1	C43	A41-C43 VanDerWaalsContact C-N 3.29Å
42	T	92.2	Very high	83.2	Confident	61 Å²	61	87.1 Å²	87.1	37%	0.374	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.4	178.5	54.2	0	0	0	0	112.6	P40 C52 V53 T55	P40-T42 PolarHBondContact O-N 3.23Å; T42-C52 WeakPolarHBondContact O-CA 3.28Å; T42-V53 PolarHBondContact O-N 2.97Å; T42-T55 WeakPolarHBondContact OG1-CG2 3.4Å
43	C	93.9	Very high	85.4	Confident	18 Å²	18	80.5 Å²	80.5	12%	0.122	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149	-176.8	-53.9	0	0	0	0	111.4	C39 P40 A41 F51 C52	C39-C43 PolarHBondContact SG-O 3.28Å; P40-C43 HydrophobicContact CB-CB 4.11Å; P40-C43 HydrophobicContact CG-CB 4.29Å; P40-C43 PolarHBondContact O-N 2.99Å; P40-C43 VanDerWaalsContact O-O 3.1Å; A41-C43 VanDerWaalsContact C-N 3.29Å; C43-F51 CarbonylContact C-O 3.59Å; C43-F51 WeakPolarHBondContact CA-O 3.31Å; C43-C52 HydrophobicContact CB-CB 4.06Å; C43-C52 WeakPolarHBondContact CB-SG 3.47Å; C43-C52 WeakPolarHBondContact SG-CB 3.4Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.05Å
44	S	94.6	Very high	87.3	Confident	87 Å²	87	81.2 Å²	81.2	61%	0.608	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.4	166.1	-174.9	0	0	0	0	108.3	A50 F51	S44-A50 WeakPolarHBondContact O-CA 3.46Å; S44-F51 PolarHBondContact N-O 3.04Å; S44-F51 PolarHBondContact O-N 2.78Å
45	C	94.3	Very high	89	Confident	34 Å²	34	75.4 Å²	75.4	23%	0.23	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.8	-176.4	-50.5	0	0	0	0	111.6	C39 S49 P63	C39-C45 HydrophobicContact CB-CB 3.69Å; C39-C45 WeakPolarHBondContact CB-SG 3.32Å; C39-C45 WeakPolarHBondContact SG-CB 3.31Å; C39-C45 PolarHBondContact SG-N 2.95Å; C39-C45 CovalentContact SG-SG 2.04Å; C39-C45 PolarHBondContact SG-SG 3.48Å; C45-S49 CarbonylContact C-O 3.07Å; C45-S49 WeakPolarHBondContact CA-O 3.18Å; C45-P63 HydrophobicContact CB-CG 4.04Å
46	T	92.7	Very high	90.3	Very high	73 Å²	73	74.9 Å²	74.9	45%	0.448	41%	0.408	S	S	.	.			trans	-96.8	-164.7	162.9	71.2	0	0	0	0	109.7	D48 S49	T46-D48 VanDerWaalsContact C-N 3.25Å; T46-D48 PolarHBondContact O-N 2.67Å; T46-D48 PolarHBondContact OG1-N 3.22Å; T46-D48 PolarHBondContact OG1-OD1 3.34Å; T46-S49 PolarHBondContact N-O 3.36Å; T46-S49 PolarHBondContact OG1-N 3.17Å; T46-S49 PolarHBondContact OG1-O 3.21Å; T46-S49 PolarHBondContact OG1-OG 2.91Å
47	K	89	Confident	91.5	Very high	190 Å²	190	73 Å²	73	83%	0.826	40%	0.403	S	S	*	.	S	Bend	trans	-64.9	-31.2	173.4	-174.6	-179.2	176.7	-173	0	112.5
48	D	93.7	Very high	92.3	Very high	81 Å²	81	71.8 Å²	71.8	43%	0.433	39%	0.394	S	S	.	.	S	Bend	trans	-133.2	-14.9	-163.6	60.5	-23.2	0	0	0	113.6	T46 I67 S68	T46-D48 VanDerWaalsContact C-N 3.25Å; T46-D48 PolarHBondContact O-N 2.67Å; T46-D48 PolarHBondContact OG1-N 3.22Å; T46-D48 PolarHBondContact OG1-OD1 3.34Å; D48-I67 HydrophobicContact CB-CD1 4.22Å; D48-I67 HydrophobicContact CB-CG1 4Å; D48-I67 VanDerWaalsContact O-CG1 3.31Å; D48-I67 WeakPolarHBondContact O-CG1 3.37Å; D48-I67 PolarHBondContact O-N 3.37Å; D48-S68 PolarHBondContact O-N 3.12Å
49	S	95.9	Very high	92.6	Very high	39 Å²	39	62.2 Å²	62.2	27%	0.273	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.3	178.9	66.7	0	0	0	0	113.2	C45 T46 I66 S68	C45-S49 CarbonylContact C-O 3.07Å; C45-S49 WeakPolarHBondContact CA-O 3.18Å; T46-S49 PolarHBondContact N-O 3.36Å; T46-S49 PolarHBondContact OG1-N 3.17Å; T46-S49 PolarHBondContact OG1-O 3.21Å; T46-S49 PolarHBondContact OG1-OG 2.91Å; S49-I66 WeakPolarHBondContact O-CD1 3.02Å; S49-S68 CarbonylContact C-O 3.21Å; S49-S68 VanDerWaalsContact CA-O 3.22Å; S49-S68 WeakPolarHBondContact CA-O 3.42Å
50	A	96.1	Very high	92.4	Very high	3 Å²	3	69.3 Å²	69.3	3%	0.025	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	129	172.9	0	0	0	0	0	109.7	S44 F62 I66 S68 L69 T70	S44-A50 WeakPolarHBondContact O-CA 3.46Å; A50-F62 HydrophobicContact CB-CD1 3.87Å; A50-F62 HydrophobicContact CB-CE1 3.82Å; A50-I66 HydrophobicContact CB-CD1 4.26Å; A50-I66 HydrophobicContact CB-CG2 4.22Å; A50-S68 PolarHBondContact N-O 3.14Å; A50-L69 HydrophobicContact CB-CD1 3.88Å; A50-L69 WeakPolarHBondContact O-CA 3.43Å; A50-T70 PolarHBondContact O-N 2.99Å
51	F	96.3	Very high	92.1	Very high	101 Å²	101	71 Å²	71	44%	0.443	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.8	177.7	-175.8	-94.2	0	0	0	109.4	C43 S44 V53 T70 V72	C43-F51 CarbonylContact C-O 3.59Å; C43-F51 WeakPolarHBondContact CA-O 3.31Å; S44-F51 PolarHBondContact N-O 3.04Å; S44-F51 PolarHBondContact O-N 2.78Å; F51-V53 HydrophobicContact CD1-CG2 3.82Å; F51-V53 HydrophobicContact CE1-CG2 3.21Å; F51-V53 HydrophobicContact CZ-CG2 3.96Å; F51-T70 HydrophobicContact CD2-CG2 3.6Å; F51-T70 HydrophobicContact CE2-CG2 3.55Å; F51-V72 HydrophobicContact CE2-CG2 4.27Å; F51-V72 HydrophobicContact CZ-CG2 4.28Å
52	C	95.3	Very high	92.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.9	-172.6	-62.2	0	0	0	0	111.4	T42 C43 T55 T70 M71 V72	T42-C52 WeakPolarHBondContact O-CA 3.28Å; C43-C52 HydrophobicContact CB-CB 4.06Å; C43-C52 WeakPolarHBondContact CB-SG 3.47Å; C43-C52 WeakPolarHBondContact SG-CB 3.4Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.05Å; C52-T55 HydrophobicContact CB-CG2 3.61Å; C52-T70 PolarHBondContact N-O 2.76Å; C52-M71 HydrophobicContact CB-CG 4.19Å; C52-M71 WeakPolarHBondContact O-CA 3.22Å; C52-V72 PolarHBondContact O-N 2.82Å
53	V	94.2	Very high	92	Very high	53 Å²	53	64.5 Å²	64.5	32%	0.321	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.6	179.5	-171	0	0	0	0	109.4	T42 F51 T55 V72	T42-V53 PolarHBondContact O-N 2.97Å; F51-V53 HydrophobicContact CD1-CG2 3.82Å; F51-V53 HydrophobicContact CE1-CG2 3.21Å; F51-V53 HydrophobicContact CZ-CG2 3.96Å; V53-T55 PolarHBondContact O-N 2.68Å; V53-V72 WeakPolarHBondContact CA-O 3.45Å
54	D	90.5	Very high	91.4	Very high	95 Å²	95	68 Å²	68	51%	0.508	37%	0.369	S	S	.	.	S	Bend	trans	56.9	33.9	175.2	-58.7	-31.7	0	0	0	113.7	V72 N73	D54-V72 PolarHBondContact N-O 3.39Å; D54-N73 WeakPolarHBondContact CA-O 3.28Å; D54-N73 PolarHBondContact N-O 3.24Å; D54-N73 PolarHBondContact OD1-ND2 2.91Å
55	T	90.6	Very high	91	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.357	C	S	.	.			trans	-75.6	129.4	-178.6	67	0	0	0	0	111.5	T42 C52 V53 M71 A75	T42-T55 WeakPolarHBondContact OG1-CG2 3.4Å; C52-T55 HydrophobicContact CB-CG2 3.61Å; V53-T55 PolarHBondContact O-N 2.68Å; T55-M71 HydrophobicContact CG2-CE 4.35Å; T55-M71 VanDerWaalsContact OG1-CE 3.26Å; T55-M71 WeakPolarHBondContact OG1-CE 3.49Å; T55-A75 PolarHBondContact O-N 3.31Å
56	K	90.6	Very high	91	Very high	185 Å²	185	64.1 Å²	64.1	80%	0.804	35%	0.347	S	S	*	.	S	Bend	trans	-77.6	-23.5	177	-66.3	-175.7	179.3	-178.6	0	113.8
57	A	90.9	Very high	91.2	Very high	63 Å²	63	63.3 Å²	63.3	52%	0.521	34%	0.34	S	S	.	.	S	Bend	trans	-158	162.2	178.3	0	0	0	0	0	108.8	P59	A57-P59 VanDerWaalsContact O-CD 3.24Å; A57-P59 WeakPolarHBondContact O-CD 3.31Å
58	I	91.2	Very high	91.6	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.138	31%	0.311	C	S	.	.			trans	-62.7	116.6	174.8	-56.5	177.7	0	0	0	108.6	K60 F76 I79 A83 F84	I58-K60 PolarHBondContact O-N 2.76Å; I58-F76 HydrophobicContact CD1-CE2 3.96Å; I58-F76 HydrophobicContact CD1-CZ 4.06Å; I58-F76 HydrophobicContact CG1-CE1 3.99Å; I58-F76 HydrophobicContact CG1-CE2 3.69Å; I58-F76 HydrophobicContact CG1-CZ 3.35Å; I58-I79 HydrophobicContact CD1-CG2 4.18Å; I58-A83 HydrophobicContact CD1-CB 3.5Å; I58-A83 VanDerWaalsContact CD1-CB 3.5Å; I58-F84 HydrophobicContact CD1-CE1 4.42Å; I58-F84 HydrophobicContact CD1-CE2 4.4Å; I58-F84 HydrophobicContact CD1-CZ 4Å; I58-F84 HydrophobicContact CG2-CD1 4.16Å; I58-F84 HydrophobicContact CG2-CE1 3.85Å; I58-F84 HydrophobicContact CG2-CZ 4.46Å
59	P	90.6	Very high	91.8	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.123	29%	0.29	C	S	.	.			trans	-63.1	137.8	-178.7	-20.8	32.6	0	0	0	111.2	P40 A57 F62 H86	P40-P59 HydrophobicContact CB-CB 3.87Å; P40-P59 HydrophobicContact CB-CG 4.04Å; P40-P59 HydrophobicContact CG-CB 3.46Å; P40-P59 VanDerWaalsContact CG-CB 3.46Å; P40-P59 HydrophobicContact CG-CG 3.94Å; A57-P59 VanDerWaalsContact O-CD 3.24Å; A57-P59 WeakPolarHBondContact O-CD 3.31Å; P59-F62 HydrophobicContact CB-CE2 3.78Å; P59-F62 HydrophobicContact CB-CZ 3.79Å; P59-F62 HydrophobicContact CG-CE2 4.26Å; P59-F62 HydrophobicContact CG-CZ 3.83Å; P59-F62 VanDerWaalsContact O-CE2 3.31Å; P59-F62 WeakPolarHBondContact O-CE2 3.24Å; P59-H86 PolarHBondContact O-CE1 2.8Å; P59-H86 PolarHBondContact O-NE2 3.07Å
60	K	86.9	Confident	91.9	Very high	194 Å²	194	51 Å²	51	84%	0.843	28%	0.283	S	S	*	.	S	Bend	trans	-90.3	-4.4	-178.4	-62.6	-172.8	177.8	-175	0	114.4	I58	I58-K60 PolarHBondContact O-N 2.76Å
61	S	86.1	Confident	91.8	Very high	56 Å²	56	50.8 Å²	50.8	39%	0.392	28%	0.281	S	S	.	.			trans	-138.3	114.7	-172.7	167.9	0	0	0	0	109.6	P37 P40	P37-S61 VanDerWaalsContact CB-OG 3.31Å; P37-S61 WeakPolarHBondContact CB-OG 3.3Å; P40-S61 WeakPolarHBondContact CD-O 3.49Å; P40-S61 VanDerWaalsContact CG-O 3.28Å; P40-S61 WeakPolarHBondContact CG-O 3.27Å
62	F	90.3	Very high	91.8	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.044	27%	0.27	C	S	.	.			trans	-124.6	157.4	171.9	-73.1	-88.5	0	0	0	109.8	P37 P40 A50 P59 I66 L69 H86 L87	P37-F62 VanDerWaalsContact CB-O 3.32Å; P37-F62 WeakPolarHBondContact CB-O 3.25Å; P37-F62 WeakPolarHBondContact CG-O 3.31Å; P40-F62 HydrophobicContact CG-CD1 4.08Å; P40-F62 HydrophobicContact CG-CE1 3.86Å; P40-F62 HydrophobicContact CG-CZ 4.19Å; A50-F62 HydrophobicContact CB-CD1 3.87Å; A50-F62 HydrophobicContact CB-CE1 3.82Å; P59-F62 HydrophobicContact CB-CE2 3.78Å; P59-F62 HydrophobicContact CB-CZ 3.79Å; P59-F62 HydrophobicContact CG-CE2 4.26Å; P59-F62 HydrophobicContact CG-CZ 3.83Å; P59-F62 VanDerWaalsContact O-CE2 3.31Å; P59-F62 WeakPolarHBondContact O-CE2 3.24Å; F62-I66 HydrophobicContact CB-CG1 4.22Å; F62-L69 HydrophobicContact CE1-CD1 3.96Å; F62-L69 HydrophobicContact CZ-CD1 3.98Å; F62-L69 HydrophobicContact CZ-CD2 4.47Å; F62-H86 AromaticContact CD2-NE2 3.53Å; F62-H86 AromaticContact CE2-NE2 3.84Å; F62-L87 HydrophobicContact CB-CD2 3.95Å; F62-L87 HydrophobicContact CD2-CD1 4.15Å; F62-L87 HydrophobicContact CD2-CD2 3.89Å; F62-L87 HydrophobicContact CD2-CG 4.43Å; F62-L87 HydrophobicContact CE2-CD1 4.22Å; F62-L87 HydrophobicContact CG-CD2 4.13Å
63	P	88.3	Confident	91.6	Very high	26 Å²	26	52.1 Å²	52.1	17%	0.169	29%	0.294	C	S	.	.			trans	-51.6	145.7	170	-25.4	35.3	0	0	0	111.9	C39 C45 G65 I66	C39-P63 HydrophobicContact CB-CG 4.41Å; C45-P63 HydrophobicContact CB-CG 4.04Å; P63-G65 PolarHBondContact O-N 3.38Å; P63-I66 WeakPolarHBondContact O-CG1 3.35Å
64	P	81.2	Confident	91.4	Very high	92 Å²	92	49.7 Å²	49.7	60%	0.597	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	130.1	177.6	29.4	-31.4	0	0	0	109.5	V36	V36-P64 HydrophobicContact CG1-CG 4.23Å
65	G	86.8	Confident	91.4	Very high	35 Å²	35	48.7 Å²	48.7	36%	0.361	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.5	8.2	176.1	0	0	0	0	0	116.3	P63 I67	P63-G65 PolarHBondContact O-N 3.38Å; G65-I67 PolarHBondContact O-N 3.2Å
66	I	94.4	Very high	91.4	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	29%	0.29	C	S	.	.			trans	-62	123.3	169.9	-61.1	-59.1	0	0	0	110	S49 A50 F62 P63 S68 L90	S49-I66 WeakPolarHBondContact O-CD1 3.02Å; A50-I66 HydrophobicContact CB-CD1 4.26Å; A50-I66 HydrophobicContact CB-CG2 4.22Å; F62-I66 HydrophobicContact CB-CG1 4.22Å; P63-I66 WeakPolarHBondContact O-CG1 3.35Å; I66-S68 WeakPolarHBondContact CG2-O 3.48Å; I66-L90 HydrophobicContact CG2-CD1 4.18Å
67	I	96.7	Very high	91.5	Very high	57 Å²	57	44 Å²	44	29%	0.292	27%	0.27	S	S	.	.			trans	-112.1	-17.6	175.9	62	173.8	0	0	0	112.1	D48 G65 L89 Q91 F92	D48-I67 HydrophobicContact CB-CD1 4.22Å; D48-I67 HydrophobicContact CB-CG1 4Å; D48-I67 VanDerWaalsContact O-CG1 3.31Å; D48-I67 WeakPolarHBondContact O-CG1 3.37Å; D48-I67 PolarHBondContact O-N 3.37Å; G65-I67 PolarHBondContact O-N 3.2Å; I67-L89 HydrophobicContact CG2-CB 4.47Å; I67-Q91 HydrophobicContact CB-CG 4.48Å; I67-Q91 PolarHBondContact O-N 2.94Å; I67-F92 PolarHBondContact O-N 2.9Å
68	S	97.8	Very high	91.6	Very high	31 Å²	31	44.4 Å²	44.4	22%	0.217	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.9	178.9	179.5	0	0	0	0	111.2	D48 S49 A50 I66 F92	D48-S68 PolarHBondContact O-N 3.12Å; S49-S68 CarbonylContact C-O 3.21Å; S49-S68 VanDerWaalsContact CA-O 3.22Å; S49-S68 WeakPolarHBondContact CA-O 3.42Å; A50-S68 PolarHBondContact N-O 3.14Å; I66-S68 WeakPolarHBondContact CG2-O 3.48Å; S68-F92 WeakPolarHBondContact CA-O 3.48Å; S68-F92 VanDerWaalsContact OG-CD1 3.28Å; S68-F92 WeakPolarHBondContact OG-CD1 3.2Å
69	L	97.1	Very high	91.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129	178.1	175.6	63.1	0	0	0	110	A50 F62 M71 F84 L87 L90 F92 L93 L94	A50-L69 HydrophobicContact CB-CD1 3.88Å; A50-L69 WeakPolarHBondContact O-CA 3.43Å; F62-L69 HydrophobicContact CE1-CD1 3.96Å; F62-L69 HydrophobicContact CZ-CD1 3.98Å; F62-L69 HydrophobicContact CZ-CD2 4.47Å; L69-M71 HydrophobicContact CD1-CG 4.24Å; L69-M71 HydrophobicContact CD2-CG 4.49Å; L69-M71 HydrophobicContact CD2-SD 4.35Å; L69-M71 HydrophobicContact CG-CG 4.22Å; L69-F84 HydrophobicContact CD2-CD1 3.95Å; L69-F84 HydrophobicContact CD2-CE1 3.88Å; L69-L87 HydrophobicContact CD2-CD1 3.76Å; L69-L90 HydrophobicContact CB-CD1 3.76Å; L69-L90 HydrophobicContact CB-CD2 4.28Å; L69-F92 PolarHBondContact N-O 3.45Å; L69-L93 HydrophobicContact CB-CD1 4.01Å; L69-L93 HydrophobicContact CD2-CD1 3.91Å; L69-L93 HydrophobicContact CG-CD1 3.93Å; L69-L93 WeakPolarHBondContact O-CA 3.43Å; L69-L94 PolarHBondContact O-N 2.86Å
70	T	97.1	Very high	91.9	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.8	172.6	-62.2	0	0	0	0	109.6	A50 F51 C52 V72 L94	A50-T70 PolarHBondContact O-N 2.99Å; F51-T70 HydrophobicContact CD2-CG2 3.6Å; F51-T70 HydrophobicContact CE2-CG2 3.55Å; C52-T70 PolarHBondContact N-O 2.76Å; T70-V72 HydrophobicContact CG2-CG2 3.99Å; T70-L94 CarbonylContact C-O 3.5Å; T70-L94 WeakPolarHBondContact CA-O 3.31Å; T70-L94 HydrophobicContact CG2-CB 4.15Å; T70-L94 HydrophobicContact CG2-CD2 3.82Å; T70-L94 HydrophobicContact CG2-CG 4.1Å
71	M	95.5	Very high	92.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.9	174.8	-57.1	-175.3	64.6	0	0	110.3	C52 T55 L69 F76 F84 L94 L95 N96 N98	C52-M71 HydrophobicContact CB-CG 4.19Å; C52-M71 WeakPolarHBondContact O-CA 3.22Å; T55-M71 HydrophobicContact CG2-CE 4.35Å; T55-M71 VanDerWaalsContact OG1-CE 3.26Å; T55-M71 WeakPolarHBondContact OG1-CE 3.49Å; L69-M71 HydrophobicContact CD1-CG 4.24Å; L69-M71 HydrophobicContact CD2-CG 4.49Å; L69-M71 HydrophobicContact CD2-SD 4.35Å; L69-M71 HydrophobicContact CG-CG 4.22Å; M71-F76 HydrophobicContact CE-CE1 3.8Å; M71-F76 HydrophobicContact CE-CZ 3.79Å; M71-F84 HydrophobicContact SD-CE1 3.99Å; M71-F84 HydrophobicContact SD-CZ 4.34Å; M71-L94 PolarHBondContact N-O 3.24Å; M71-L95 HydrophobicContact CB-CD2 3.84Å; M71-L95 HydrophobicContact CG-CD2 4.1Å; M71-L95 HydrophobicContact SD-CD2 4.08Å; M71-N96 PolarHBondContact O-N 3.11Å; M71-N98 PolarHBondContact O-ND2 2.81Å
72	V	95.3	Very high	92.7	Very high	35 Å²	35	41.2 Å²	41.2	21%	0.212	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.3	-179.6	-177.4	0	0	0	0	110	F51 C52 V53 D54 T70 A74 N96	F51-V72 HydrophobicContact CE2-CG2 4.27Å; F51-V72 HydrophobicContact CZ-CG2 4.28Å; C52-V72 PolarHBondContact O-N 2.82Å; V53-V72 WeakPolarHBondContact CA-O 3.45Å; D54-V72 PolarHBondContact N-O 3.39Å; T70-V72 HydrophobicContact CG2-CG2 3.99Å; V72-A74 VanDerWaalsContact C-N 3.31Å; V72-A74 PolarHBondContact O-N 3.22Å; V72-N96 WeakPolarHBondContact CA-O 3.49Å
73	N	91.2	Very high	92.9	Very high	93 Å²	93	41.4 Å²	41.4	50%	0.497	26%	0.259	S	S	.	.	S	Bend	trans	53	43	177.7	-157.3	35.1	0	0	0	114.1	D54 S97 N98	D54-N73 WeakPolarHBondContact CA-O 3.28Å; D54-N73 PolarHBondContact N-O 3.24Å; D54-N73 PolarHBondContact OD1-ND2 2.91Å; N73-S97 WeakPolarHBondContact CA-O 3.43Å; N73-S97 PolarHBondContact N-O 2.95Å; N73-N98 PolarHBondContact N-OD1 2.93Å; N73-N98 VanDerWaalsContact N-OD1 3.07Å
74	A	91.3	Very high	93.1	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	25%	0.251	C	S	.	.			trans	-66.2	138.7	174	0	0	0	0	0	111.2	V72 F76 N98 F100	V72-A74 VanDerWaalsContact C-N 3.31Å; V72-A74 PolarHBondContact O-N 3.22Å; A74-F76 VanDerWaalsContact C-N 3.32Å; A74-F76 HydrophobicContact CB-CD1 3.82Å; A74-F76 HydrophobicContact CB-CE1 3.51Å; A74-F76 HydrophobicContact CB-CZ 3.99Å; A74-N98 HydrophobicContact CB-CB 4.24Å; A74-N98 VanDerWaalsContact CB-OD1 3.23Å; A74-N98 WeakPolarHBondContact CB-OD1 3.31Å; A74-N98 PolarHBondContact N-OD1 3.43Å; A74-F100 HydrophobicContact CB-CE1 3.97Å; A74-F100 HydrophobicContact CB-CZ 3.96Å
75	A	89.8	Confident	93.7	Very high	73 Å²	73	38.3 Å²	38.3	60%	0.603	24%	0.24	S	C	*	.	S	Bend	trans	-88.1	2.5	-179.4	0	0	0	0	0	113.6	T55	T55-A75 PolarHBondContact O-N 3.31Å
76	F	91.3	Very high	93.8	Very high	25 Å²	25	39.8 Å²	39.8	11%	0.11	24%	0.237	C	C	.	.			trans	-104.8	152.6	173.9	64.2	-88.5	0	0	0	110.5	I58 M71 A74 T78 I79 F100	I58-F76 HydrophobicContact CD1-CE2 3.96Å; I58-F76 HydrophobicContact CD1-CZ 4.06Å; I58-F76 HydrophobicContact CG1-CE1 3.99Å; I58-F76 HydrophobicContact CG1-CE2 3.69Å; I58-F76 HydrophobicContact CG1-CZ 3.35Å; M71-F76 HydrophobicContact CE-CE1 3.8Å; M71-F76 HydrophobicContact CE-CZ 3.79Å; A74-F76 VanDerWaalsContact C-N 3.32Å; A74-F76 HydrophobicContact CB-CD1 3.82Å; A74-F76 HydrophobicContact CB-CE1 3.51Å; A74-F76 HydrophobicContact CB-CZ 3.99Å; F76-T78 VanDerWaalsContact CD2-O 3.27Å; F76-T78 WeakPolarHBondContact CD2-O 3.49Å; F76-I79 HydrophobicContact CE2-CG1 4.49Å; F76-F100 HydrophobicContact CD2-CD1 4.19Å; F76-F100 AromaticContact CD2-CE1 3.52Å; F76-F100 HydrophobicContact CD2-CE1 3.52Å; F76-F100 HydrophobicContact CD2-CZ 4.38Å; F76-F100 HydrophobicContact CE1-CE1 4.39Å; F76-F100 HydrophobicContact CE2-CD1 4.09Å; F76-F100 AromaticContact CE2-CE1 3.16Å; F76-F100 HydrophobicContact CE2-CE1 3.16Å; F76-F100 AromaticContact CE2-CZ 3.59Å; F76-F100 HydrophobicContact CE2-CZ 3.59Å; F76-F100 HydrophobicContact CG-CE1 4.26Å; F76-F100 AromaticContact CZ-CE1 3.64Å; F76-F100 HydrophobicContact CZ-CE1 3.64Å; F76-F100 AromaticContact CZ-CZ 3.7Å; F76-F100 HydrophobicContact CZ-CZ 3.7Å; F76-F100 VanDerWaalsContact O-CD1 3.25Å; F76-F100 WeakPolarHBondContact O-CD1 3.06Å; F76-F100 WeakPolarHBondContact O-CE1 3.22Å
77	T	91.9	Very high	93.8	Very high	63 Å²	63	40.1 Å²	40.1	39%	0.387	24%	0.239	S	C	.	.			trans	-110.1	-6.4	-172.1	56.1	0	0	0	0	113.6	T99 F100 T101 M102	T77-T99 WeakPolarHBondContact CG2-O 3.23Å; T77-F100 CarbonylContact O-C 3.59Å; T77-F100 VanDerWaalsContact O-CA 3.31Å; T77-F100 WeakPolarHBondContact O-CA 3.09Å; T77-T101 PolarHBondContact O-N 2.74Å; T77-T101 PolarHBondContact O-OG1 3.16Å; T77-M102 PolarHBondContact O-N 3.07Å
78	T	92.4	Very high	93.6	Very high	70 Å²	70	42.6 Å²	42.6	43%	0.429	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137	-174	56.1	0	0	0	0	112.4	F76 M102	F76-T78 VanDerWaalsContact CD2-O 3.27Å; F76-T78 WeakPolarHBondContact CD2-O 3.49Å; T78-M102 WeakPolarHBondContact CA-O 3.47Å; T78-M102 HydrophobicContact CG2-CB 4.12Å
79	I	94.4	Very high	93.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.1	172.6	-52.4	179.9	0	0	0	108	I58 F76 A83 F84 L95 F100 M102 I103 A104 A107 F108	I58-I79 HydrophobicContact CD1-CG2 4.18Å; F76-I79 HydrophobicContact CE2-CG1 4.49Å; I79-A83 HydrophobicContact CG2-CB 3.65Å; I79-F84 HydrophobicContact CG2-CE2 3.89Å; I79-L95 HydrophobicContact CD1-CD1 3.56Å; I79-F100 HydrophobicContact CD1-CD2 3.97Å; I79-F100 HydrophobicContact CD1-CE2 4.04Å; I79-F100 HydrophobicContact CD1-CG 4.43Å; I79-F100 HydrophobicContact CG1-CD1 4.48Å; I79-F100 HydrophobicContact CG1-CD2 4.39Å; I79-F100 HydrophobicContact CG1-CE2 4.47Å; I79-F100 HydrophobicContact CG1-CG 4.4Å; I79-M102 PolarHBondContact N-O 2.71Å; I79-M102 VanDerWaalsContact N-O 3.1Å; I79-I103 HydrophobicContact CB-CG2 4.26Å; I79-I103 HydrophobicContact CD1-CD1 4.16Å; I79-I103 HydrophobicContact CD1-CG1 4.11Å; I79-I103 HydrophobicContact CG1-CG1 4.46Å; I79-A104 WeakPolarHBondContact O-CB 3.35Å; I79-A104 PolarHBondContact O-N 3.28Å; I79-A107 HydrophobicContact CB-CB 4.47Å; I79-A107 HydrophobicContact CG2-CB 3.87Å; I79-F108 HydrophobicContact CD1-CZ 4.41Å
80	P	94.6	Very high	93.4	Very high	70 Å²	70	45.7 Å²	45.7	46%	0.455	26%	0.263	S	S	.	.			trans	-76	166.9	-177.7	31.9	-36.3	0	0	0	112.4	G82 A83 A107	P80-G82 PolarHBondContact O-N 3.21Å; P80-A83 HydrophobicContact CG-CB 4.18Å; P80-A83 VanDerWaalsContact O-CB 3.26Å; P80-A83 WeakPolarHBondContact O-CB 3.41Å; P80-A83 PolarHBondContact O-N 3.38Å; P80-A107 WeakPolarHBondContact O-CA 3.12Å
81	E	95.2	Very high	93.4	Very high	142 Å²	142	48.6 Å²	48.6	66%	0.664	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	133.1	171.7	175.4	178.8	175.4	0	0	111.5	A83 D105 D106	E81-A83 PolarHBondContact O-N 3.33Å; E81-A83 VanDerWaalsContact O-N 3.09Å; E81-D105 WeakPolarHBondContact CA-O 3.22Å; E81-D105 WeakPolarHBondContact CB-O 3.46Å; E81-D106 HydrophobicContact CG-CB 4.06Å
82	G	94.2	Very high	93.6	Very high	15 Å²	15	51 Å²	51	16%	0.155	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	25	175.7	0	0	0	0	0	114.3	P80 F84 S85 D106	P80-G82 PolarHBondContact O-N 3.21Å; G82-F84 PolarHBondContact O-N 3.05Å; G82-F84 VanDerWaalsContact O-N 3.07Å; G82-S85 WeakPolarHBondContact O-CB 3.32Å; G82-S85 PolarHBondContact O-N 3.27Å; G82-S85 PolarHBondContact O-OG 2.93Å; G82-D106 PolarHBondContact N-O 2.88Å
83	A	93.8	Very high	93.7	Very high	14 Å²	14	49.3 Å²	49.3	12%	0.116	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-39.1	-176.8	0	0	0	0	0	113.8	I58 I79 P80 E81 A107	I58-A83 HydrophobicContact CD1-CB 3.5Å; I58-A83 VanDerWaalsContact CD1-CB 3.5Å; I79-A83 HydrophobicContact CG2-CB 3.65Å; P80-A83 HydrophobicContact CG-CB 4.18Å; P80-A83 VanDerWaalsContact O-CB 3.26Å; P80-A83 WeakPolarHBondContact O-CB 3.41Å; P80-A83 PolarHBondContact O-N 3.38Å; E81-A83 PolarHBondContact O-N 3.33Å; E81-A83 VanDerWaalsContact O-N 3.09Å; A83-A107 PolarHBondContact N-O 3.37Å; A83-A107 VanDerWaalsContact N-O 3.16Å
84	F	94.3	Very high	94	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	12.7	-177.1	-55.1	-78.4	0	0	0	112.9	I58 L69 M71 I79 G82 H86 L87 L93 L95 F108 L111	I58-F84 HydrophobicContact CD1-CE1 4.42Å; I58-F84 HydrophobicContact CD1-CE2 4.4Å; I58-F84 HydrophobicContact CD1-CZ 4Å; I58-F84 HydrophobicContact CG2-CD1 4.16Å; I58-F84 HydrophobicContact CG2-CE1 3.85Å; I58-F84 HydrophobicContact CG2-CZ 4.46Å; L69-F84 HydrophobicContact CD2-CD1 3.95Å; L69-F84 HydrophobicContact CD2-CE1 3.88Å; M71-F84 HydrophobicContact SD-CE1 3.99Å; M71-F84 HydrophobicContact SD-CZ 4.34Å; I79-F84 HydrophobicContact CG2-CE2 3.89Å; G82-F84 PolarHBondContact O-N 3.05Å; G82-F84 VanDerWaalsContact O-N 3.07Å; F84-H86 PolarHBondContact O-N 2.89Å; F84-L87 HydrophobicContact CD1-CD1 4.4Å; F84-L87 WeakPolarHBondContact O-CB 3.46Å; F84-L87 PolarHBondContact O-N 3.08Å; F84-L93 HydrophobicContact CD2-CD2 4.07Å; F84-L93 HydrophobicContact CE1-CD1 4.43Å; F84-L93 HydrophobicContact CE2-CD2 4Å; F84-L93 HydrophobicContact CG-CD2 4.36Å; F84-L93 HydrophobicContact CZ-CD2 4.23Å; F84-L95 HydrophobicContact CZ-CD2 4.37Å; F84-F108 AromaticContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CE1 4.08Å; F84-F108 HydrophobicContact CE2-CD1 4.09Å; F84-F108 AromaticContact CE2-CE1 3.81Å; F84-F108 HydrophobicContact CE2-CE1 3.81Å; F84-L111 HydrophobicContact CB-CD1 3.83Å; F84-L111 HydrophobicContact CB-CD2 3.96Å; F84-L111 HydrophobicContact CB-CG 4.15Å; F84-L111 HydrophobicContact CG-CD1 4.49Å; F84-L111 VanDerWaalsContact O-CD2 3.31Å; F84-L111 WeakPolarHBondContact O-CD2 3.28Å
85	S	92.4	Very high	94.3	Very high	52 Å²	52	46.4 Å²	46.4	36%	0.364	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-35	-173.6	53.4	0	0	0	0	113.1	G82 L87 H88 A109	G82-S85 WeakPolarHBondContact O-CB 3.32Å; G82-S85 PolarHBondContact O-N 3.27Å; G82-S85 PolarHBondContact O-OG 2.93Å; S85-L87 PolarHBondContact O-N 3.41Å; S85-H88 PolarHBondContact O-CE1 2.96Å; S85-H88 PolarHBondContact O-ND1 3.38Å; S85-H88 PolarHBondContact O-NE2 2.91Å; S85-A109 WeakPolarHBondContact CA-O 3.33Å
86	H	90.3	Very high	94.5	Very high	66 Å²	66	44.7 Å²	44.7	31%	0.306	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.2	178	63.6	-77.4	0	0	0	115.1	P59 F62 F84	P59-H86 PolarHBondContact O-CE1 2.8Å; P59-H86 PolarHBondContact O-NE2 3.07Å; F62-H86 AromaticContact CD2-NE2 3.53Å; F62-H86 AromaticContact CE2-NE2 3.84Å; F84-H86 PolarHBondContact O-N 2.89Å
87	L	92.9	Very high	94.5	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	25%	0.254	C	S	.	.			trans	-102.9	53.6	-179.6	-60.2	175	0	0	0	111.5	F62 L69 F84 S85 L89 L90 L111	F62-L87 HydrophobicContact CB-CD2 3.95Å; F62-L87 HydrophobicContact CD2-CD1 4.15Å; F62-L87 HydrophobicContact CD2-CD2 3.89Å; F62-L87 HydrophobicContact CD2-CG 4.43Å; F62-L87 HydrophobicContact CE2-CD1 4.22Å; F62-L87 HydrophobicContact CG-CD2 4.13Å; L69-L87 HydrophobicContact CD2-CD1 3.76Å; F84-L87 HydrophobicContact CD1-CD1 4.4Å; F84-L87 WeakPolarHBondContact O-CB 3.46Å; F84-L87 PolarHBondContact O-N 3.08Å; S85-L87 PolarHBondContact O-N 3.41Å; L87-L89 PolarHBondContact O-N 2.99Å; L87-L90 HydrophobicContact CB-CB 4.27Å; L87-L90 VanDerWaalsContact O-CB 3.27Å; L87-L90 WeakPolarHBondContact O-CB 3.41Å; L87-L90 PolarHBondContact O-N 3.18Å; L87-L111 HydrophobicContact CB-CD2 4.35Å; L87-L111 VanDerWaalsContact O-CD2 3.24Å; L87-L111 WeakPolarHBondContact O-CD2 3.2Å
88	H	91.9	Very high	94.6	Very high	108 Å²	108	43.5 Å²	43.5	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18	-173.5	-51	-74.5	0	0	0	116.1	S85 H113	S85-H88 PolarHBondContact O-CE1 2.96Å; S85-H88 PolarHBondContact O-ND1 3.38Å; S85-H88 PolarHBondContact O-NE2 2.91Å; H88-H113 PolarHBondContact O-ND1 3.26Å
89	L	94.8	Very high	94.5	Very high	97 Å²	97	43.6 Å²	43.6	51%	0.508	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0	179.6	-62.5	177.9	0	0	0	113.3	I67 L87 Q91	I67-L89 HydrophobicContact CG2-CB 4.47Å; L87-L89 PolarHBondContact O-N 2.99Å; L89-Q91 PolarHBondContact O-N 3.05Å
90	L	96.7	Very high	94.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.			trans	-62.9	129.1	-175.8	-155.7	72.2	0	0	0	110.9	I66 L69 L87 L93 L111 H113 L114	I66-L90 HydrophobicContact CG2-CD1 4.18Å; L69-L90 HydrophobicContact CB-CD1 3.76Å; L69-L90 HydrophobicContact CB-CD2 4.28Å; L87-L90 HydrophobicContact CB-CB 4.27Å; L87-L90 VanDerWaalsContact O-CB 3.27Å; L87-L90 WeakPolarHBondContact O-CB 3.41Å; L87-L90 PolarHBondContact O-N 3.18Å; L90-L93 HydrophobicContact CD2-CB 3.93Å; L90-L93 HydrophobicContact CD2-CD1 4.3Å; L90-L93 HydrophobicContact CD2-CD2 4.33Å; L90-L93 HydrophobicContact CD2-CG 4.42Å; L90-L111 HydrophobicContact CB-CD2 4.06Å; L90-L111 HydrophobicContact CD2-CD1 4.2Å; L90-L111 HydrophobicContact CD2-CD2 4.39Å; L90-H113 CarbonylContact O-C 3.57Å; L90-L114 HydrophobicContact CB-CD1 4.22Å; L90-L114 HydrophobicContact CD2-CD1 3.99Å; L90-L114 HydrophobicContact CG-CD1 3.98Å; L90-L114 VanDerWaalsContact O-CA 3.25Å; L90-L114 WeakPolarHBondContact O-CA 3.21Å; L90-L114 PolarHBondContact O-N 3.2Å; L90-L114 VanDerWaalsContact O-N 3.12Å
91	Q	97.9	Very high	94.1	Very high	79 Å²	79	42.2 Å²	42.2	37%	0.369	23%	0.228	S	C	.	.			trans	-111.5	-28.7	177.3	-65	178.2	12.1	0	0	111.6	I67 L89 Q115 Y116	I67-Q91 HydrophobicContact CB-CG 4.48Å; I67-Q91 PolarHBondContact O-N 2.94Å; L89-Q91 PolarHBondContact O-N 3.05Å; Q91-Q115 PolarHBondContact O-N 3.31Å; Q91-Y116 PolarHBondContact O-N 3.05Å
92	F	98.4	Very high	93.9	Very high	51 Å²	51	40 Å²	40	22%	0.224	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.2	-178.9	-178.5	-83.8	0	0	0	111.2	I67 S68 L69 L94 Y116 F118	I67-F92 PolarHBondContact O-N 2.9Å; S68-F92 WeakPolarHBondContact CA-O 3.48Å; S68-F92 VanDerWaalsContact OG-CD1 3.28Å; S68-F92 WeakPolarHBondContact OG-CD1 3.2Å; L69-F92 PolarHBondContact N-O 3.45Å; F92-L94 HydrophobicContact CE1-CB 3.54Å; F92-L94 HydrophobicContact CZ-CB 3.93Å; F92-Y116 WeakPolarHBondContact CA-O 3.48Å; F92-Y116 HydrophobicContact CD2-CD2 4.35Å; F92-Y116 HydrophobicContact CD2-CG 4.02Å; F92-F118 AromaticContact CE2-CD2 3.84Å; F92-F118 HydrophobicContact CE2-CD2 3.84Å; F92-F118 AromaticContact CE2-CE2 3.64Å; F92-F118 HydrophobicContact CE2-CE2 3.64Å; F92-F118 AromaticContact CZ-CD2 3.93Å; F92-F118 HydrophobicContact CZ-CD2 3.93Å; F92-F118 HydrophobicContact CZ-CE2 4.14Å
93	L	98.2	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.6	174.2	-179.7	54.8	0	0	0	110.6	L69 F84 L90 L95 F108 L111 L114 Y116 L117 F118	L69-L93 HydrophobicContact CB-CD1 4.01Å; L69-L93 HydrophobicContact CD2-CD1 3.91Å; L69-L93 HydrophobicContact CG-CD1 3.93Å; L69-L93 WeakPolarHBondContact O-CA 3.43Å; F84-L93 HydrophobicContact CD2-CD2 4.07Å; F84-L93 HydrophobicContact CE1-CD1 4.43Å; F84-L93 HydrophobicContact CE2-CD2 4Å; F84-L93 HydrophobicContact CG-CD2 4.36Å; F84-L93 HydrophobicContact CZ-CD2 4.23Å; L90-L93 HydrophobicContact CD2-CB 3.93Å; L90-L93 HydrophobicContact CD2-CD1 4.3Å; L90-L93 HydrophobicContact CD2-CD2 4.33Å; L90-L93 HydrophobicContact CD2-CG 4.42Å; L93-L95 HydrophobicContact CD1-CD2 3.93Å; L93-L95 HydrophobicContact CD1-CG 4.23Å; L93-L95 HydrophobicContact CG-CD2 4.41Å; L93-L95 HydrophobicContact CG-CG 4.16Å; L93-F108 HydrophobicContact CD2-CD1 3.94Å; L93-F108 HydrophobicContact CD2-CE1 3.77Å; L93-L111 HydrophobicContact CD2-CD1 4.41Å; L93-L114 HydrophobicContact CB-CD1 3.94Å; L93-Y116 PolarHBondContact N-O 2.91Å; L93-L117 HydrophobicContact CB-CD1 3.96Å; L93-L117 HydrophobicContact CD2-CD1 3.85Å; L93-L117 HydrophobicContact CG-CD1 3.92Å; L93-F118 PolarHBondContact O-N 2.98Å
94	L	97.8	Very high	93.9	Very high	35 Å²	35	40.3 Å²	40.3	18%	0.183	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120	174.4	177	64.1	0	0	0	110.6	L69 T70 M71 F92 N96 F118	L69-L94 PolarHBondContact O-N 2.86Å; T70-L94 CarbonylContact C-O 3.5Å; T70-L94 WeakPolarHBondContact CA-O 3.31Å; T70-L94 HydrophobicContact CG2-CB 4.15Å; T70-L94 HydrophobicContact CG2-CD2 3.82Å; T70-L94 HydrophobicContact CG2-CG 4.1Å; M71-L94 PolarHBondContact N-O 3.24Å; F92-L94 HydrophobicContact CE1-CB 3.54Å; F92-L94 HydrophobicContact CZ-CB 3.93Å; L94-N96 HydrophobicContact CD1-CB 3.89Å; L94-N96 HydrophobicContact CG-CB 4.06Å; L94-F118 CarbonylContact C-O 3.51Å; L94-F118 WeakPolarHBondContact CA-O 2.88Å; L94-F118 HydrophobicContact CD1-CB 3.45Å; L94-F118 VanDerWaalsContact CD1-CB 3.45Å; L94-F118 HydrophobicContact CD1-CD2 4.25Å; L94-F118 HydrophobicContact CD1-CG 4.37Å
95	L	96.3	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	84	177.4	-63.4	-175.2	0	0	0	108.2	M71 I79 F84 L93 F100 F108 F118 I119 E120 N122	M71-L95 HydrophobicContact CB-CD2 3.84Å; M71-L95 HydrophobicContact CG-CD2 4.1Å; M71-L95 HydrophobicContact SD-CD2 4.08Å; I79-L95 HydrophobicContact CD1-CD1 3.56Å; F84-L95 HydrophobicContact CZ-CD2 4.37Å; L93-L95 HydrophobicContact CD1-CD2 3.93Å; L93-L95 HydrophobicContact CD1-CG 4.23Å; L93-L95 HydrophobicContact CG-CD2 4.41Å; L93-L95 HydrophobicContact CG-CG 4.16Å; L95-F100 HydrophobicContact CB-CE2 4.08Å; L95-F100 HydrophobicContact CD1-CE2 4.14Å; L95-F100 HydrophobicContact CD2-CE2 4.31Å; L95-F100 HydrophobicContact CG-CE2 4.41Å; L95-F108 HydrophobicContact CD1-CE1 4.26Å; L95-F108 HydrophobicContact CD1-CZ 4.4Å; L95-F118 PolarHBondContact N-O 3.09Å; L95-I119 HydrophobicContact CB-CG1 4.44Å; L95-I119 HydrophobicContact CB-CG2 4.28Å; L95-I119 HydrophobicContact CD1-CG1 4.29Å; L95-I119 WeakPolarHBondContact O-CA 3.41Å; L95-E120 PolarHBondContact O-N 3.13Å; L95-N122 PolarHBondContact O-ND2 2.92Å
96	N	94.7	Very high	94	Very high	37 Å²	37	41.9 Å²	41.9	20%	0.198	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.2	-171.5	-175.9	46.3	0	0	0	112.7	M71 V72 L94 N98 E120 N121	M71-N96 PolarHBondContact O-N 3.11Å; V72-N96 WeakPolarHBondContact CA-O 3.49Å; L94-N96 HydrophobicContact CD1-CB 3.89Å; L94-N96 HydrophobicContact CG-CB 4.06Å; N96-N98 PolarHBondContact N-ND2 2.91Å; N96-N98 PolarHBondContact O-N 2.6Å; N96-N98 PolarHBondContact O-ND2 2.99Å; N96-E120 VanDerWaalsContact CA-O 3.29Å; N96-E120 WeakPolarHBondContact CA-O 3.28Å; N96-E120 PolarHBondContact OD1-O 2.77Å; N96-E120 VanDerWaalsContact OD1-O 3.11Å; N96-N121 PolarHBondContact OD1-ND2 3.36Å
97	S	92.2	Very high	94.3	Very high	57 Å²	57	38.7 Å²	38.7	40%	0.399	21%	0.209	S	C	.	.	S	Bend	trans	55.1	49.3	175.6	-52.9	0	0	0	0	112.6	N73 E120 N121	N73-S97 WeakPolarHBondContact CA-O 3.43Å; N73-S97 PolarHBondContact N-O 2.95Å; S97-E120 PolarHBondContact N-O 2.76Å; S97-E120 VanDerWaalsContact N-O 3.12Å; S97-N121 VanDerWaalsContact CA-O 3.26Å; S97-N121 WeakPolarHBondContact CA-O 3.26Å; S97-N121 PolarHBondContact N-O 2.8Å
98	N	92.6	Very high	94.5	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.032	21%	0.206	C	C	.	.			trans	-113.9	175.2	170.8	-45.6	-82.9	0	0	0	110	M71 N73 A74 N96 F100 N122	M71-N98 PolarHBondContact O-ND2 2.81Å; N73-N98 PolarHBondContact N-OD1 2.93Å; N73-N98 VanDerWaalsContact N-OD1 3.07Å; A74-N98 HydrophobicContact CB-CB 4.24Å; A74-N98 VanDerWaalsContact CB-OD1 3.23Å; A74-N98 WeakPolarHBondContact CB-OD1 3.31Å; A74-N98 PolarHBondContact N-OD1 3.43Å; N96-N98 PolarHBondContact N-ND2 2.91Å; N96-N98 PolarHBondContact O-N 2.6Å; N96-N98 PolarHBondContact O-ND2 2.99Å; N98-F100 HydrophobicContact CB-CD1 4.17Å; N98-F100 HydrophobicContact CB-CD2 3.92Å; N98-F100 HydrophobicContact CB-CE1 3.92Å; N98-F100 HydrophobicContact CB-CE2 3.69Å; N98-F100 HydrophobicContact CB-CG 4.15Å; N98-F100 HydrophobicContact CB-CZ 3.69Å; N98-N122 VanDerWaalsContact CA-OD1 3.25Å; N98-N122 WeakPolarHBondContact CA-OD1 3.19Å; N98-N122 WeakPolarHBondContact CB-OD1 3.32Å; N98-N122 PolarHBondContact N-OD1 3.12Å; N98-N122 PolarHBondContact ND2-OD1 2.84Å; N98-N122 WeakPolarHBondContact O-CA 3.24Å; N98-N122 WeakPolarHBondContact O-CB 3.06Å; N98-N122 PolarHBondContact O-OD1 3.34Å
99	T	91.3	Very high	94.6	Very high	71 Å²	71	34.4 Å²	34.4	44%	0.436	19%	0.194	S	C	.	.			trans	-105.5	35.7	-179.5	53.2	0	0	0	0	111.7	T77 T101	T77-T99 WeakPolarHBondContact CG2-O 3.23Å; T99-T101 PolarHBondContact O-N 2.95Å
100	F	91	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.			trans	-66.7	124.1	-179.4	-59	-34.2	0	0	0	111.1	A74 F76 T77 I79 L95 N98 N122 D123 I124	A74-F100 HydrophobicContact CB-CE1 3.97Å; A74-F100 HydrophobicContact CB-CZ 3.96Å; F76-F100 HydrophobicContact CD2-CD1 4.19Å; F76-F100 AromaticContact CD2-CE1 3.52Å; F76-F100 HydrophobicContact CD2-CE1 3.52Å; F76-F100 HydrophobicContact CD2-CZ 4.38Å; F76-F100 HydrophobicContact CE1-CE1 4.39Å; F76-F100 HydrophobicContact CE2-CD1 4.09Å; F76-F100 AromaticContact CE2-CE1 3.16Å; F76-F100 HydrophobicContact CE2-CE1 3.16Å; F76-F100 AromaticContact CE2-CZ 3.59Å; F76-F100 HydrophobicContact CE2-CZ 3.59Å; F76-F100 HydrophobicContact CG-CE1 4.26Å; F76-F100 AromaticContact CZ-CE1 3.64Å; F76-F100 HydrophobicContact CZ-CE1 3.64Å; F76-F100 AromaticContact CZ-CZ 3.7Å; F76-F100 HydrophobicContact CZ-CZ 3.7Å; F76-F100 VanDerWaalsContact O-CD1 3.25Å; F76-F100 WeakPolarHBondContact O-CD1 3.06Å; F76-F100 WeakPolarHBondContact O-CE1 3.22Å; T77-F100 CarbonylContact O-C 3.59Å; T77-F100 VanDerWaalsContact O-CA 3.31Å; T77-F100 WeakPolarHBondContact O-CA 3.09Å; I79-F100 HydrophobicContact CD1-CD2 3.97Å; I79-F100 HydrophobicContact CD1-CE2 4.04Å; I79-F100 HydrophobicContact CD1-CG 4.43Å; I79-F100 HydrophobicContact CG1-CD1 4.48Å; I79-F100 HydrophobicContact CG1-CD2 4.39Å; I79-F100 HydrophobicContact CG1-CE2 4.47Å; I79-F100 HydrophobicContact CG1-CG 4.4Å; L95-F100 HydrophobicContact CB-CE2 4.08Å; L95-F100 HydrophobicContact CD1-CE2 4.14Å; L95-F100 HydrophobicContact CD2-CE2 4.31Å; L95-F100 HydrophobicContact CG-CE2 4.41Å; N98-F100 HydrophobicContact CB-CD1 4.17Å; N98-F100 HydrophobicContact CB-CD2 3.92Å; N98-F100 HydrophobicContact CB-CE1 3.92Å; N98-F100 HydrophobicContact CB-CE2 3.69Å; N98-F100 HydrophobicContact CB-CG 4.15Å; N98-F100 HydrophobicContact CB-CZ 3.69Å; F100-N122 HydrophobicContact CB-CB 4.32Å; F100-D123 CarbonylContact O-C 3.57Å; F100-D123 PolarHBondContact O-N 3.34Å; F100-D123 VanDerWaalsContact O-O 3.14Å; F100-I124 WeakPolarHBondContact O-CA 3.19Å; F100-I124 PolarHBondContact O-N 3.14Å
101	T	89.4	Confident	94.4	Very high	44 Å²	44	31.7 Å²	31.7	27%	0.27	19%	0.189	S	C	.	.			trans	-105.8	-26	178	58	0	0	0	0	112.6	T77 T99 D123 Q125 D126	T77-T101 PolarHBondContact O-N 2.74Å; T77-T101 PolarHBondContact O-OG1 3.16Å; T99-T101 PolarHBondContact O-N 2.95Å; T101-D123 WeakPolarHBondContact CA-O 3.49Å; T101-Q125 PolarHBondContact O-N 3.09Å; T101-D126 PolarHBondContact O-N 3.23Å
102	M	90.9	Very high	94.2	Very high	94 Å²	94	30.7 Å²	30.7	46%	0.463	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.2	-177.1	-179	-177.2	-73.5	0	0	112	T77 T78 I79	T77-M102 PolarHBondContact O-N 3.07Å; T78-M102 WeakPolarHBondContact CA-O 3.47Å; T78-M102 HydrophobicContact CG2-CB 4.12Å; I79-M102 PolarHBondContact N-O 2.71Å; I79-M102 VanDerWaalsContact N-O 3.1Å
103	I	94.6	Very high	94	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.7	170.9	-54	-176.2	0	0	0	107.9	I79 A107 F108 I119 I124 L127 T131	I79-I103 HydrophobicContact CB-CG2 4.26Å; I79-I103 HydrophobicContact CD1-CD1 4.16Å; I79-I103 HydrophobicContact CD1-CG1 4.11Å; I79-I103 HydrophobicContact CG1-CG1 4.46Å; I103-A107 HydrophobicContact CG2-CB 3.45Å; I103-A107 VanDerWaalsContact CG2-CB 3.45Å; I103-F108 HydrophobicContact CG2-CE2 3.94Å; I103-F108 HydrophobicContact CG2-CZ 4.32Å; I103-I119 HydrophobicContact CD1-CD1 3.89Å; I103-I119 HydrophobicContact CD1-CG2 4.38Å; I103-I124 HydrophobicContact CD1-CD1 3.89Å; I103-L127 HydrophobicContact CB-CD2 4.09Å; I103-L127 HydrophobicContact CD1-CD2 3.97Å; I103-L127 HydrophobicContact CG1-CD2 4.23Å; I103-T131 HydrophobicContact CB-CG2 4.1Å; I103-T131 HydrophobicContact CG2-CG2 3.45Å; I103-T131 VanDerWaalsContact CG2-CG2 3.45Å
104	A	93.4	Very high	94	Very high	33 Å²	33	32.7 Å²	32.7	27%	0.273	20%	0.201	S	C	.	.			trans	-67.4	168.4	-175.2	0	0	0	0	0	113	I79 D106 A107	I79-A104 WeakPolarHBondContact O-CB 3.35Å; I79-A104 PolarHBondContact O-N 3.28Å; A104-D106 PolarHBondContact O-N 3.48Å; A104-A107 WeakPolarHBondContact O-CB 3.38Å; A104-A107 PolarHBondContact O-N 2.7Å
105	D	94.6	Very high	94	Very high	67 Å²	67	34.4 Å²	34.4	36%	0.358	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	137.2	165.8	-73.9	-4.5	0	0	0	109.9	E81 A107 S128	E81-D105 WeakPolarHBondContact CA-O 3.22Å; E81-D105 WeakPolarHBondContact CB-O 3.46Å; D105-A107 PolarHBondContact O-N 3.25Å; D105-S128 WeakPolarHBondContact OD1-CB 3.45Å; D105-S128 PolarHBondContact OD1-OG 3.39Å
106	D	95.1	Very high	94.2	Very high	19 Å²	19	38.2 Å²	38.2	10%	0.102	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	25.2	174	-58.5	-67.4	0	0	0	114.4	E81 G82 A104 F108 A109 Y130 R133	E81-D106 HydrophobicContact CG-CB 4.06Å; G82-D106 PolarHBondContact N-O 2.88Å; A104-D106 PolarHBondContact O-N 3.48Å; D106-F108 PolarHBondContact O-N 3.17Å; D106-A109 HydrophobicContact CB-CB 3.94Å; D106-A109 VanDerWaalsContact O-CB 3.23Å; D106-A109 WeakPolarHBondContact O-CB 3.28Å; D106-A109 PolarHBondContact O-N 2.93Å; D106-Y130 PolarHBondContact N-O 3.38Å; D106-R133 IonicContact OD1-CZ 2.99Å; D106-R133 IonicContact OD1-NE 3.21Å; D106-R133 PolarHBondContact OD1-NE 3.08Å; D106-R133 IonicContact OD1-NH2 3.39Å; D106-R133 PolarHBondContact OD1-NH2 2.83Å; D106-R133 IonicContact OD2-CZ 2.6Å; D106-R133 IonicContact OD2-NE 3.43Å; D106-R133 IonicContact OD2-NH2 3.77Å; D106-R133 PolarHBondContact OD2-NH2 2.99Å
107	A	95.6	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.2	-179.3	0	0	0	0	0	113.2	I79 P80 A83 I103 A104 D105	I79-A107 HydrophobicContact CB-CB 4.47Å; I79-A107 HydrophobicContact CG2-CB 3.87Å; P80-A107 WeakPolarHBondContact O-CA 3.12Å; A83-A107 PolarHBondContact N-O 3.37Å; A83-A107 VanDerWaalsContact N-O 3.16Å; I103-A107 HydrophobicContact CG2-CB 3.45Å; I103-A107 VanDerWaalsContact CG2-CB 3.45Å; A104-A107 WeakPolarHBondContact O-CB 3.38Å; A104-A107 PolarHBondContact O-N 2.7Å; D105-A107 PolarHBondContact O-N 3.25Å
108	F	96.5	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	16.5	-180	-52.6	-73.7	0	0	0	113.6	I79 F84 L93 L95 I103 D106 L111 L117 I119 T131 F132 L135	I79-F108 HydrophobicContact CD1-CZ 4.41Å; F84-F108 AromaticContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CD1 3.85Å; F84-F108 HydrophobicContact CD2-CE1 4.08Å; F84-F108 HydrophobicContact CE2-CD1 4.09Å; F84-F108 AromaticContact CE2-CE1 3.81Å; F84-F108 HydrophobicContact CE2-CE1 3.81Å; L93-F108 HydrophobicContact CD2-CD1 3.94Å; L93-F108 HydrophobicContact CD2-CE1 3.77Å; L95-F108 HydrophobicContact CD1-CE1 4.26Å; L95-F108 HydrophobicContact CD1-CZ 4.4Å; I103-F108 HydrophobicContact CG2-CE2 3.94Å; I103-F108 HydrophobicContact CG2-CZ 4.32Å; D106-F108 PolarHBondContact O-N 3.17Å; F108-L111 HydrophobicContact CB-CD1 4.2Å; F108-L111 HydrophobicContact CD1-CD1 4.29Å; F108-L111 WeakPolarHBondContact O-CB 3.45Å; F108-L111 WeakPolarHBondContact O-CG 3.36Å; F108-L111 PolarHBondContact O-N 3.28Å; F108-L117 HydrophobicContact CD1-CD2 4.5Å; F108-L117 HydrophobicContact CD2-CD2 4.15Å; F108-L117 HydrophobicContact CE1-CD1 4.05Å; F108-L117 HydrophobicContact CE1-CD2 4.42Å; F108-L117 HydrophobicContact CE2-CD2 4.07Å; F108-L117 HydrophobicContact CG-CD2 4.37Å; F108-L117 HydrophobicContact CZ-CD1 4.28Å; F108-L117 HydrophobicContact CZ-CD2 4.22Å; F108-I119 HydrophobicContact CE2-CD1 4.05Å; F108-I119 HydrophobicContact CZ-CD1 3.66Å; F108-T131 HydrophobicContact CD2-CG2 4.39Å; F108-T131 WeakPolarHBondContact CD2-O 3.39Å; F108-T131 HydrophobicContact CE2-CG2 4.03Å; F108-F132 HydrophobicContact CD2-CD1 4.07Å; F108-F132 HydrophobicContact CD2-CE1 4.3Å; F108-F132 HydrophobicContact CE2-CD1 4.18Å; F108-F132 AromaticContact CE2-CE1 3.94Å; F108-F132 HydrophobicContact CE2-CE1 3.94Å; F108-L135 HydrophobicContact CB-CD1 4.05Å; F108-L135 HydrophobicContact CB-CD2 3.88Å; F108-L135 HydrophobicContact CB-CG 4.26Å; F108-L135 HydrophobicContact CD2-CD1 4.49Å; F108-L135 HydrophobicContact CG-CD1 4.45Å
109	A	94.7	Very high	94.8	Very high	30 Å²	30	35.7 Å²	35.7	25%	0.248	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	142.2	177.7	0	0	0	0	0	112	S85 D106	S85-A109 WeakPolarHBondContact CA-O 3.33Å; D106-A109 HydrophobicContact CB-CB 3.94Å; D106-A109 VanDerWaalsContact O-CB 3.23Å; D106-A109 WeakPolarHBondContact O-CB 3.28Å; D106-A109 PolarHBondContact O-N 2.93Å
110	G	92	Very high	95.1	Very high	39 Å²	39	34.5 Å²	34.5	40%	0.402	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-8.2	-176	0	0	0	0	0	114.8	S112	G110-S112 PolarHBondContact O-N 3.05Å
111	L	95.6	Very high	95.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.211	C	C	.	.			trans	-90	57.5	177.9	-58.4	-172.1	0	0	0	112.9	F84 L87 L90 L93 F108 H113 L114 L135	F84-L111 HydrophobicContact CB-CD1 3.83Å; F84-L111 HydrophobicContact CB-CD2 3.96Å; F84-L111 HydrophobicContact CB-CG 4.15Å; F84-L111 HydrophobicContact CG-CD1 4.49Å; F84-L111 VanDerWaalsContact O-CD2 3.31Å; F84-L111 WeakPolarHBondContact O-CD2 3.28Å; L87-L111 HydrophobicContact CB-CD2 4.35Å; L87-L111 VanDerWaalsContact O-CD2 3.24Å; L87-L111 WeakPolarHBondContact O-CD2 3.2Å; L90-L111 HydrophobicContact CB-CD2 4.06Å; L90-L111 HydrophobicContact CD2-CD1 4.2Å; L90-L111 HydrophobicContact CD2-CD2 4.39Å; L93-L111 HydrophobicContact CD2-CD1 4.41Å; F108-L111 HydrophobicContact CB-CD1 4.2Å; F108-L111 HydrophobicContact CD1-CD1 4.29Å; F108-L111 WeakPolarHBondContact O-CB 3.45Å; F108-L111 WeakPolarHBondContact O-CG 3.36Å; F108-L111 PolarHBondContact O-N 3.28Å; L111-H113 PolarHBondContact O-N 2.04Å; L111-L114 HydrophobicContact CB-CB 4.04Å; L111-L114 HydrophobicContact CB-CD2 4.47Å; L111-L114 HydrophobicContact CD1-CD1 4.45Å; L111-L114 HydrophobicContact CD1-CD2 3.95Å; L111-L114 WeakPolarHBondContact O-CB 3.36Å; L111-L114 PolarHBondContact O-N 3.01Å; L111-L135 HydrophobicContact CB-CD2 3.96Å
112	S	92.9	Very high	95.5	Very high	57 Å²	57	36.1 Å²	36.1	40%	0.399	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.5	-173.9	59.4	0	0	0	0	115	G110 S137	G110-S112 PolarHBondContact O-N 3.05Å; S112-S137 VanDerWaalsContact O-CB 3.3Å; S112-S137 WeakPolarHBondContact O-CB 3.39Å; S112-S137 PolarHBondContact O-OG 3.17Å
113	H	95.9	Very high	95.5	Very high	93 Å²	93	35.5 Å²	35.5	43%	0.431	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	2.2	-179.7	-59.5	97	0	0	0	113.5	H88 L90 L111 Q115	H88-H113 PolarHBondContact O-ND1 3.26Å; L90-H113 CarbonylContact O-C 3.57Å; L111-H113 PolarHBondContact O-N 2.04Å; H113-Q115 PolarHBondContact O-N 2.04Å
114	L	97.8	Very high	95.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.			trans	-68.4	124.6	-176.5	-163.9	73.3	0	0	0	110.3	L90 L93 L111 L117 L135 S137 L138	L90-L114 HydrophobicContact CB-CD1 4.22Å; L90-L114 HydrophobicContact CD2-CD1 3.99Å; L90-L114 HydrophobicContact CG-CD1 3.98Å; L90-L114 VanDerWaalsContact O-CA 3.25Å; L90-L114 WeakPolarHBondContact O-CA 3.21Å; L90-L114 PolarHBondContact O-N 3.2Å; L90-L114 VanDerWaalsContact O-N 3.12Å; L93-L114 HydrophobicContact CB-CD1 3.94Å; L111-L114 HydrophobicContact CB-CB 4.04Å; L111-L114 HydrophobicContact CB-CD2 4.47Å; L111-L114 HydrophobicContact CD1-CD1 4.45Å; L111-L114 HydrophobicContact CD1-CD2 3.95Å; L111-L114 WeakPolarHBondContact O-CB 3.36Å; L111-L114 PolarHBondContact O-N 3.01Å; L114-L117 HydrophobicContact CD2-CB 4.02Å; L114-L117 HydrophobicContact CD2-CD1 4.34Å; L114-L117 HydrophobicContact CD2-CD2 4.35Å; L114-L117 HydrophobicContact CD2-CG 4.48Å; L114-L135 HydrophobicContact CB-CD2 4.32Å; L114-L135 HydrophobicContact CD2-CD1 4.42Å; L114-L135 HydrophobicContact CD2-CD2 4.07Å; L114-S137 CarbonylContact O-C 3.56Å; L114-L138 HydrophobicContact CD2-CD1 4.12Å; L114-L138 HydrophobicContact CG-CD1 4.12Å; L114-L138 VanDerWaalsContact O-CA 3.28Å; L114-L138 WeakPolarHBondContact O-CA 3.12Å; L114-L138 PolarHBondContact O-N 3.18Å; L114-L138 VanDerWaalsContact O-N 3.14Å
115	Q	98.1	Very high	94.9	Very high	72 Å²	72	41.6 Å²	41.6	34%	0.336	22%	0.221	S	C	.	.			trans	-108.2	-37	-179	-67.5	176.2	9.3	0	0	111.7	Q91 H113 S137 T139 H140	Q91-Q115 PolarHBondContact O-N 3.31Å; H113-Q115 PolarHBondContact O-N 2.04Å; Q115-S137 WeakPolarHBondContact CA-O 3.47Å; Q115-T139 PolarHBondContact O-N 3.01Å; Q115-T139 PolarHBondContact O-OG1 2.83Å; Q115-H140 PolarHBondContact O-N 2.91Å
116	Y	98.5	Very high	94.2	Very high	79 Å²	79	42.7 Å²	42.7	31%	0.31	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.9	-177	-57.3	-91.3	0	0	0	109.9	Q91 F92 L93 F118 H140	Q91-Y116 PolarHBondContact O-N 3.05Å; F92-Y116 WeakPolarHBondContact CA-O 3.48Å; F92-Y116 HydrophobicContact CD2-CD2 4.35Å; F92-Y116 HydrophobicContact CD2-CG 4.02Å; L93-Y116 PolarHBondContact N-O 2.91Å; Y116-F118 HydrophobicContact CD1-CZ 4.04Å; Y116-H140 HydrophobicContact CD1-CB 3.62Å; Y116-H140 AromaticContact CD1-CG 3.62Å; Y116-H140 AromaticContact CD1-ND1 3.77Å; Y116-H140 HydrophobicContact CE1-CB 4.09Å; Y116-H140 AromaticContact CE1-CD2 3.96Å; Y116-H140 AromaticContact CE1-CE1 3.66Å; Y116-H140 AromaticContact CE1-CG 3.55Å; Y116-H140 AromaticContact CE1-ND1 3.31Å; Y116-H140 VanDerWaalsContact CE1-ND1 3.31Å; Y116-H140 WeakPolarHBondContact CE1-ND1 3.34Å; Y116-H140 AromaticContact CE1-NE2 4Å; Y116-H140 HydrophobicContact CG-CB 4.49Å
117	L	98.4	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	109.9	174.5	178	56.3	0	0	0	109.4	L93 F108 L114 I119 F132 L135 L138 H140 L141 S142	L93-L117 HydrophobicContact CB-CD1 3.96Å; L93-L117 HydrophobicContact CD2-CD1 3.85Å; L93-L117 HydrophobicContact CG-CD1 3.92Å; F108-L117 HydrophobicContact CD1-CD2 4.5Å; F108-L117 HydrophobicContact CD2-CD2 4.15Å; F108-L117 HydrophobicContact CE1-CD1 4.05Å; F108-L117 HydrophobicContact CE1-CD2 4.42Å; F108-L117 HydrophobicContact CE2-CD2 4.07Å; F108-L117 HydrophobicContact CG-CD2 4.37Å; F108-L117 HydrophobicContact CZ-CD1 4.28Å; F108-L117 HydrophobicContact CZ-CD2 4.22Å; L114-L117 HydrophobicContact CD2-CB 4.02Å; L114-L117 HydrophobicContact CD2-CD1 4.34Å; L114-L117 HydrophobicContact CD2-CD2 4.35Å; L114-L117 HydrophobicContact CD2-CG 4.48Å; L117-I119 HydrophobicContact CD1-CD1 4.15Å; L117-I119 HydrophobicContact CD1-CG1 3.9Å; L117-I119 HydrophobicContact CD2-CD1 4.25Å; L117-I119 HydrophobicContact CG-CD1 4.15Å; L117-I119 HydrophobicContact CG-CG1 4.08Å; L117-F132 HydrophobicContact CD2-CD1 3.89Å; L117-F132 HydrophobicContact CD2-CE1 3.77Å; L117-L135 HydrophobicContact CD2-CD1 3.84Å; L117-L138 HydrophobicContact CB-CD1 3.64Å; L117-L138 HydrophobicContact CB-CD2 4.35Å; L117-H140 PolarHBondContact N-O 2.78Å; L117-L141 HydrophobicContact CB-CD1 4.2Å; L117-L141 HydrophobicContact CD2-CD1 4.08Å; L117-L141 HydrophobicContact CG-CD1 4.05Å; L117-L141 WeakPolarHBondContact O-CA 3.48Å; L117-S142 PolarHBondContact O-N 2.84Å
118	F	98.3	Very high	93.8	Very high	48 Å²	48	43.6 Å²	43.6	21%	0.211	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.1	179.9	-60.8	-27.2	0	0	0	109.3	F92 L93 L94 L95 Y116 E120 H140	F92-F118 AromaticContact CE2-CD2 3.84Å; F92-F118 HydrophobicContact CE2-CD2 3.84Å; F92-F118 AromaticContact CE2-CE2 3.64Å; F92-F118 HydrophobicContact CE2-CE2 3.64Å; F92-F118 AromaticContact CZ-CD2 3.93Å; F92-F118 HydrophobicContact CZ-CD2 3.93Å; F92-F118 HydrophobicContact CZ-CE2 4.14Å; L93-F118 PolarHBondContact O-N 2.98Å; L94-F118 CarbonylContact C-O 3.51Å; L94-F118 WeakPolarHBondContact CA-O 2.88Å; L94-F118 HydrophobicContact CD1-CB 3.45Å; L94-F118 VanDerWaalsContact CD1-CB 3.45Å; L94-F118 HydrophobicContact CD1-CD2 4.25Å; L94-F118 HydrophobicContact CD1-CG 4.37Å; L95-F118 PolarHBondContact N-O 3.09Å; Y116-F118 HydrophobicContact CD1-CZ 4.04Å; F118-E120 HydrophobicContact CB-CG 4.29Å; F118-H140 HydrophobicContact CE1-CB 3.91Å; F118-H140 HydrophobicContact CZ-CB 4.33Å
119	I	96.9	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	93.9	176.7	-47.4	174.6	0	0	0	105.7	L95 I103 F108 L117 I124 F132 S142 L143 N146	L95-I119 HydrophobicContact CB-CG1 4.44Å; L95-I119 HydrophobicContact CB-CG2 4.28Å; L95-I119 HydrophobicContact CD1-CG1 4.29Å; L95-I119 WeakPolarHBondContact O-CA 3.41Å; I103-I119 HydrophobicContact CD1-CD1 3.89Å; I103-I119 HydrophobicContact CD1-CG2 4.38Å; F108-I119 HydrophobicContact CE2-CD1 4.05Å; F108-I119 HydrophobicContact CZ-CD1 3.66Å; L117-I119 HydrophobicContact CD1-CD1 4.15Å; L117-I119 HydrophobicContact CD1-CG1 3.9Å; L117-I119 HydrophobicContact CD2-CD1 4.25Å; L117-I119 HydrophobicContact CG-CD1 4.15Å; L117-I119 HydrophobicContact CG-CG1 4.08Å; I119-I124 HydrophobicContact CG2-CD1 3.7Å; I119-F132 HydrophobicContact CD1-CE1 4.24Å; I119-S142 PolarHBondContact N-O 2.89Å; I119-L143 HydrophobicContact CB-CD2 4.03Å; I119-L143 HydrophobicContact CD1-CD2 4.09Å; I119-L143 HydrophobicContact CG1-CD2 4.44Å; I119-L143 WeakPolarHBondContact O-CA 3.32Å; I119-N146 PolarHBondContact O-ND2 2.93Å
120	E	96.6	Very high	93.6	Very high	45 Å²	45	50.4 Å²	50.4	21%	0.21	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.7	-165.7	-57.3	-172.5	147	0	0	111.5	L95 N96 S97 F118 N122 S142 S144	L95-E120 PolarHBondContact O-N 3.13Å; N96-E120 VanDerWaalsContact CA-O 3.29Å; N96-E120 WeakPolarHBondContact CA-O 3.28Å; N96-E120 PolarHBondContact OD1-O 2.77Å; N96-E120 VanDerWaalsContact OD1-O 3.11Å; S97-E120 PolarHBondContact N-O 2.76Å; S97-E120 VanDerWaalsContact N-O 3.12Å; F118-E120 HydrophobicContact CB-CG 4.29Å; E120-N122 PolarHBondContact N-ND2 3.47Å; E120-N122 PolarHBondContact O-N 2.71Å; E120-N122 PolarHBondContact O-ND2 3.31Å; E120-S142 WeakPolarHBondContact CG-OG 3.5Å; E120-S142 WeakPolarHBondContact OE1-CB 3.36Å; E120-S142 PolarHBondContact OE1-OG 2.9Å; E120-S144 WeakPolarHBondContact CA-O 3.4Å; E120-S144 WeakPolarHBondContact CG-OG 3.26Å; E120-S144 PolarHBondContact OE1-OG 2.94Å
121	N	95.8	Very high	93.8	Very high	73 Å²	73	48.5 Å²	48.5	39%	0.39	24%	0.237	S	C	.	.	S	Bend	trans	54.8	48.9	176.2	-52.7	-75	0	0	0	112.6	N96 S97 S144 N145	N96-N121 PolarHBondContact OD1-ND2 3.36Å; S97-N121 VanDerWaalsContact CA-O 3.26Å; S97-N121 WeakPolarHBondContact CA-O 3.26Å; S97-N121 PolarHBondContact N-O 2.8Å; N121-S144 PolarHBondContact N-O 3.42Å; N121-S144 VanDerWaalsContact N-O 3.17Å; N121-N145 VanDerWaalsContact CA-O 3.23Å; N121-N145 WeakPolarHBondContact CA-O 3.41Å; N121-N145 PolarHBondContact N-O 2.85Å; N121-N145 WeakPolarHBondContact OD1-CB 3.42Å
122	N	94.1	Very high	93.8	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.027	24%	0.237	C	C	.	.			trans	-118.3	-173.3	169.8	-46	-90.4	0	0	0	109.9	L95 N98 F100 E120 I124 N145 N146	L95-N122 PolarHBondContact O-ND2 2.92Å; N98-N122 VanDerWaalsContact CA-OD1 3.25Å; N98-N122 WeakPolarHBondContact CA-OD1 3.19Å; N98-N122 WeakPolarHBondContact CB-OD1 3.32Å; N98-N122 PolarHBondContact N-OD1 3.12Å; N98-N122 PolarHBondContact ND2-OD1 2.84Å; N98-N122 WeakPolarHBondContact O-CA 3.24Å; N98-N122 WeakPolarHBondContact O-CB 3.06Å; N98-N122 PolarHBondContact O-OD1 3.34Å; F100-N122 HydrophobicContact CB-CB 4.32Å; E120-N122 PolarHBondContact N-ND2 3.47Å; E120-N122 PolarHBondContact O-N 2.71Å; E120-N122 PolarHBondContact O-ND2 3.31Å; N122-I124 HydrophobicContact CB-CG1 4.23Å; N122-N145 PolarHBondContact N-O 3.36Å; N122-N146 WeakPolarHBondContact CA-OD1 3.35Å; N122-N146 VanDerWaalsContact CB-OD1 3.23Å; N122-N146 WeakPolarHBondContact CB-OD1 3.4Å; N122-N146 PolarHBondContact N-OD1 3.31Å; N122-N146 VanDerWaalsContact N-OD1 3.11Å; N122-N146 PolarHBondContact ND2-OD1 3.49Å; N122-N146 VanDerWaalsContact O-CA 3.27Å; N122-N146 WeakPolarHBondContact O-CA 3.49Å
123	D	90.1	Very high	93.9	Very high	82 Å²	82	50.5 Å²	50.5	44%	0.439	24%	0.235	S	C	.	.			trans	-121.1	54.5	179.5	-86.3	-38.5	0	0	0	110.7	F100 T101 Q125 N147	F100-D123 CarbonylContact O-C 3.57Å; F100-D123 PolarHBondContact O-N 3.34Å; F100-D123 VanDerWaalsContact O-O 3.14Å; T101-D123 WeakPolarHBondContact CA-O 3.49Å; D123-Q125 PolarHBondContact O-N 3.46Å; D123-Q125 VanDerWaalsContact O-N 3.14Å; D123-N147 PolarHBondContact OD1-ND2 2.84Å
124	I	91.6	Very high	93.7	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	23%	0.232	C	C	.	.			trans	-68.1	116	-174.8	-56.2	172.6	0	0	0	109	F100 I103 I119 N122 L127 N146 L148	F100-I124 WeakPolarHBondContact O-CA 3.19Å; F100-I124 PolarHBondContact O-N 3.14Å; I103-I124 HydrophobicContact CD1-CD1 3.89Å; I119-I124 HydrophobicContact CG2-CD1 3.7Å; N122-I124 HydrophobicContact CB-CG1 4.23Å; I124-L127 HydrophobicContact CG2-CD1 4.49Å; I124-L127 HydrophobicContact CG2-CD2 3.83Å; I124-L127 HydrophobicContact CG2-CG 3.78Å; I124-N146 HydrophobicContact CB-CB 4.22Å; I124-N146 HydrophobicContact CD1-CB 4.13Å; I124-N146 WeakPolarHBondContact CD1-OD1 3.38Å; I124-N146 HydrophobicContact CG1-CB 4.21Å; I124-N146 PolarHBondContact N-O 2.7Å; I124-L148 HydrophobicContact CB-CD2 4.06Å; I124-L148 HydrophobicContact CG2-CD2 4.01Å; I124-L148 WeakPolarHBondContact O-CD2 3.48Å
125	Q	84.6	Confident	93.5	Very high	161 Å²	161	47.8 Å²	47.8	75%	0.752	23%	0.232	S	C	*	.			trans	-92.5	-35.3	179.1	-62.6	-176.8	2.6	0	0	111.6	T101 D123	T101-Q125 PolarHBondContact O-N 3.09Å; D123-Q125 PolarHBondContact O-N 3.46Å; D123-Q125 VanDerWaalsContact O-N 3.14Å
126	D	79.3	Confident	93.3	Very high	90 Å²	90	51.5 Å²	51.5	48%	0.481	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.7	-175.1	-153.7	-1.7	0	0	0	112.2	T101	T101-D126 PolarHBondContact O-N 3.23Å
127	L	91.3	Very high	93.2	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.3	173	-72.3	173.7	0	0	0	107	I103 I124 T131 L143 L148 L151 P152 L155	I103-L127 HydrophobicContact CB-CD2 4.09Å; I103-L127 HydrophobicContact CD1-CD2 3.97Å; I103-L127 HydrophobicContact CG1-CD2 4.23Å; I124-L127 HydrophobicContact CG2-CD1 4.49Å; I124-L127 HydrophobicContact CG2-CD2 3.83Å; I124-L127 HydrophobicContact CG2-CG 3.78Å; L127-T131 HydrophobicContact CD2-CG2 4.18Å; L127-L143 HydrophobicContact CD1-CD1 4.15Å; L127-L148 HydrophobicContact CD1-CD1 4.17Å; L127-L148 HydrophobicContact CD1-CD2 3.97Å; L127-L148 HydrophobicContact CG-CD2 4.41Å; L127-L151 HydrophobicContact CD1-CD2 4.01Å; L127-P152 HydrophobicContact CB-CG 4.08Å; L127-P152 VanDerWaalsContact O-CG 3.24Å; L127-P152 WeakPolarHBondContact O-CG 3.04Å; L127-L155 HydrophobicContact CD1-CD2 4.23Å
128	S	90.5	Very high	93.2	Very high	30 Å²	30	49.5 Å²	49.5	21%	0.21	25%	0.245	C	C	.	.			trans	-94.2	153.9	172.2	175.3	0	0	0	0	111.2	D105 Y130 T131 L155	D105-S128 WeakPolarHBondContact OD1-CB 3.45Å; D105-S128 PolarHBondContact OD1-OG 3.39Å; S128-Y130 PolarHBondContact O-N 2.47Å; S128-Y130 VanDerWaalsContact O-N 3.08Å; S128-Y130 PolarHBondContact OG-N 3Å; S128-T131 PolarHBondContact N-OG1 3.05Å; S128-T131 VanDerWaalsContact N-OG1 3.09Å; S128-T131 VanDerWaalsContact O-CB 3.32Å; S128-T131 WeakPolarHBondContact O-CB 3.29Å; S128-T131 PolarHBondContact O-N 3.09Å; S128-T131 PolarHBondContact O-OG1 3.25Å; S128-L155 WeakPolarHBondContact O-CD1 3.35Å
129	K	93	Very high	93.1	Very high	92 Å²	92	48.5 Å²	48.5	40%	0.4	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.2	171.5	68.1	-176.3	-176.5	-178.6	0	113.5	P152 R153	K129-P152 HydrophobicContact CB-CB 4.32Å; K129-R153 WeakPolarHBondContact CB-O 3.45Å
130	Y	95.4	Very high	93.2	Very high	80 Å²	80	50.9 Å²	50.9	31%	0.314	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.6	177.5	-53.2	-56.3	0	0	0	113.8	D106 S128 F132 R133	D106-Y130 PolarHBondContact N-O 3.38Å; S128-Y130 PolarHBondContact O-N 2.47Å; S128-Y130 VanDerWaalsContact O-N 3.08Å; S128-Y130 PolarHBondContact OG-N 3Å; Y130-F132 VanDerWaalsContact C-N 3.31Å; Y130-F132 PolarHBondContact O-N 3.02Å; Y130-R133 VanDerWaalsContact O-CB 3.31Å; Y130-R133 WeakPolarHBondContact O-CB 3.41Å; Y130-R133 PolarHBondContact O-N 2.99Å; Y130-R133 VanDerWaalsContact O-N 3.17Å
131	T	95.3	Very high	93.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-42.3	-177.2	-67	0	0	0	0	112.8	I103 F108 L127 S128	I103-T131 HydrophobicContact CB-CG2 4.1Å; I103-T131 HydrophobicContact CG2-CG2 3.45Å; I103-T131 VanDerWaalsContact CG2-CG2 3.45Å; F108-T131 HydrophobicContact CD2-CG2 4.39Å; F108-T131 WeakPolarHBondContact CD2-O 3.39Å; F108-T131 HydrophobicContact CE2-CG2 4.03Å; L127-T131 HydrophobicContact CD2-CG2 4.18Å; S128-T131 PolarHBondContact N-OG1 3.05Å; S128-T131 VanDerWaalsContact N-OG1 3.09Å; S128-T131 VanDerWaalsContact O-CB 3.32Å; S128-T131 WeakPolarHBondContact O-CB 3.29Å; S128-T131 PolarHBondContact O-N 3.09Å; S128-T131 PolarHBondContact O-OG1 3.25Å
132	F	96.3	Very high	93.4	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	17.1	-179.1	-54.3	-56.1	0	0	0	114.2	F108 L117 I119 Y130 G134 L135 L141 L143 L155 F156 L159	F108-F132 HydrophobicContact CD2-CD1 4.07Å; F108-F132 HydrophobicContact CD2-CE1 4.3Å; F108-F132 HydrophobicContact CE2-CD1 4.18Å; F108-F132 AromaticContact CE2-CE1 3.94Å; F108-F132 HydrophobicContact CE2-CE1 3.94Å; L117-F132 HydrophobicContact CD2-CD1 3.89Å; L117-F132 HydrophobicContact CD2-CE1 3.77Å; I119-F132 HydrophobicContact CD1-CE1 4.24Å; Y130-F132 VanDerWaalsContact C-N 3.31Å; Y130-F132 PolarHBondContact O-N 3.02Å; F132-G134 PolarHBondContact O-N 3.11Å; F132-L135 HydrophobicContact CB-CD1 4.1Å; F132-L135 HydrophobicContact CD1-CD1 3.99Å; F132-L135 PolarHBondContact O-N 3.31Å; F132-L141 HydrophobicContact CD2-CD2 4.13Å; F132-L141 HydrophobicContact CE1-CD1 4.07Å; F132-L141 HydrophobicContact CE2-CD2 3.86Å; F132-L141 HydrophobicContact CZ-CD1 4.08Å; F132-L141 HydrophobicContact CZ-CD2 4.14Å; F132-L143 HydrophobicContact CE2-CD1 4.14Å; F132-L143 HydrophobicContact CZ-CD1 4.08Å; F132-L143 HydrophobicContact CZ-CD2 4.04Å; F132-L143 HydrophobicContact CZ-CG 4.46Å; F132-L155 HydrophobicContact CD2-CD1 3.56Å; F132-L155 HydrophobicContact CD2-CD2 4.47Å; F132-L155 HydrophobicContact CD2-CG 3.77Å; F132-L155 HydrophobicContact CE2-CD1 3.62Å; F132-L155 HydrophobicContact CE2-CD2 3.94Å; F132-L155 HydrophobicContact CE2-CG 3.73Å; F132-F156 HydrophobicContact CE2-CE1 4.43Å; F132-L159 HydrophobicContact CB-CD1 4.38Å; F132-L159 HydrophobicContact CB-CD2 4.09Å; F132-L159 HydrophobicContact CB-CG 4.5Å
133	R	94.7	Very high	93.6	Very high	98 Å²	98	45.2 Å²	45.2	37%	0.37	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	132.9	-177.9	-173.2	166.8	69.2	175.5	7.6	110.7	D106 Y130	D106-R133 IonicContact OD1-CZ 2.99Å; D106-R133 IonicContact OD1-NE 3.21Å; D106-R133 PolarHBondContact OD1-NE 3.08Å; D106-R133 IonicContact OD1-NH2 3.39Å; D106-R133 PolarHBondContact OD1-NH2 2.83Å; D106-R133 IonicContact OD2-CZ 2.6Å; D106-R133 IonicContact OD2-NE 3.43Å; D106-R133 IonicContact OD2-NH2 3.77Å; D106-R133 PolarHBondContact OD2-NH2 2.99Å; Y130-R133 VanDerWaalsContact O-CB 3.31Å; Y130-R133 WeakPolarHBondContact O-CB 3.41Å; Y130-R133 PolarHBondContact O-N 2.99Å; Y130-R133 VanDerWaalsContact O-N 3.17Å
134	G	90.1	Very high	93.9	Very high	36 Å²	36	41.6 Å²	41.6	37%	0.371	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-2.9	176.4	0	0	0	0	0	115.8	F132 K136	F132-G134 PolarHBondContact O-N 3.11Å; G134-K136 PolarHBondContact O-N 2.86Å
135	L	95.4	Very high	94.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.			trans	-78.2	61.4	176	-62.5	-175.6	0	0	0	112.6	F108 L111 L114 L117 F132 S137 L138 L159	F108-L135 HydrophobicContact CB-CD1 4.05Å; F108-L135 HydrophobicContact CB-CD2 3.88Å; F108-L135 HydrophobicContact CB-CG 4.26Å; F108-L135 HydrophobicContact CD2-CD1 4.49Å; F108-L135 HydrophobicContact CG-CD1 4.45Å; L111-L135 HydrophobicContact CB-CD2 3.96Å; L114-L135 HydrophobicContact CB-CD2 4.32Å; L114-L135 HydrophobicContact CD2-CD1 4.42Å; L114-L135 HydrophobicContact CD2-CD2 4.07Å; L117-L135 HydrophobicContact CD2-CD1 3.84Å; F132-L135 HydrophobicContact CB-CD1 4.1Å; F132-L135 HydrophobicContact CD1-CD1 3.99Å; F132-L135 PolarHBondContact O-N 3.31Å; L135-S137 PolarHBondContact O-N 3.29Å; L135-L138 HydrophobicContact CB-CB 4.09Å; L135-L138 HydrophobicContact CB-CD2 4.48Å; L135-L138 HydrophobicContact CD1-CD2 4.1Å; L135-L138 WeakPolarHBondContact O-CB 3.44Å; L135-L138 PolarHBondContact O-N 3.33Å; L135-L159 HydrophobicContact CB-CD2 3.97Å
136	K	92.7	Very high	94.6	Very high	151 Å²	151	37.1 Å²	37.1	66%	0.657	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21	-172.3	-62.4	-177.8	-179.1	-177.5	0	115	G134	G134-K136 PolarHBondContact O-N 2.86Å
137	S	96.3	Very high	95.2	Very high	36 Å²	36	37 Å²	37	25%	0.252	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5.3	-177.5	-57.3	0	0	0	0	113.3	S112 L114 Q115 L135 T139	S112-S137 VanDerWaalsContact O-CB 3.3Å; S112-S137 WeakPolarHBondContact O-CB 3.39Å; S112-S137 PolarHBondContact O-OG 3.17Å; L114-S137 CarbonylContact O-C 3.56Å; Q115-S137 WeakPolarHBondContact CA-O 3.47Å; L135-S137 PolarHBondContact O-N 3.29Å; S137-T139 PolarHBondContact O-N 3.36Å
138	L	97.9	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.			trans	-75.7	120.3	-171.4	-163	76.4	0	0	0	111.2	L114 L117 L135 L141 L159 L162	L114-L138 HydrophobicContact CD2-CD1 4.12Å; L114-L138 HydrophobicContact CG-CD1 4.12Å; L114-L138 VanDerWaalsContact O-CA 3.28Å; L114-L138 WeakPolarHBondContact O-CA 3.12Å; L114-L138 PolarHBondContact O-N 3.18Å; L114-L138 VanDerWaalsContact O-N 3.14Å; L117-L138 HydrophobicContact CB-CD1 3.64Å; L117-L138 HydrophobicContact CB-CD2 4.35Å; L135-L138 HydrophobicContact CB-CB 4.09Å; L135-L138 HydrophobicContact CB-CD2 4.48Å; L135-L138 HydrophobicContact CD1-CD2 4.1Å; L135-L138 WeakPolarHBondContact O-CB 3.44Å; L135-L138 PolarHBondContact O-N 3.33Å; L138-L141 HydrophobicContact CD2-CB 4.1Å; L138-L141 HydrophobicContact CD2-CD1 4.43Å; L138-L159 HydrophobicContact CB-CD2 4.25Å; L138-L159 HydrophobicContact CD2-CD1 4.29Å; L138-L159 HydrophobicContact CD2-CD2 3.91Å; L138-L162 HydrophobicContact CD2-CD1 4.42Å
139	T	97.9	Very high	95.4	Very high	28 Å²	28	41.3 Å²	41.3	17%	0.172	20%	0.204	C	C	.	.			trans	-105.8	-34	179	57.4	0	0	0	0	111.7	Q115 S137 I161 L162 T163 D164	Q115-T139 PolarHBondContact O-N 3.01Å; Q115-T139 PolarHBondContact O-OG1 2.83Å; S137-T139 PolarHBondContact O-N 3.36Å; T139-I161 HydrophobicContact CG2-CD1 4.15Å; T139-I161 HydrophobicContact CG2-CG1 4.39Å; T139-L162 WeakPolarHBondContact O-CD1 3.34Å; T139-T163 PolarHBondContact O-N 2.78Å; T139-T163 PolarHBondContact O-OG1 3.45Å; T139-T163 VanDerWaalsContact O-OG1 3.05Å; T139-D164 PolarHBondContact O-N 2.84Å
140	H	98.5	Very high	95.4	Very high	49 Å²	49	41.4 Å²	41.4	23%	0.227	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123	-178.7	-62.1	62.5	0	0	0	110.9	Q115 Y116 L117 F118 D164	Q115-H140 PolarHBondContact O-N 2.91Å; Y116-H140 HydrophobicContact CD1-CB 3.62Å; Y116-H140 AromaticContact CD1-CG 3.62Å; Y116-H140 AromaticContact CD1-ND1 3.77Å; Y116-H140 HydrophobicContact CE1-CB 4.09Å; Y116-H140 AromaticContact CE1-CD2 3.96Å; Y116-H140 AromaticContact CE1-CE1 3.66Å; Y116-H140 AromaticContact CE1-CG 3.55Å; Y116-H140 AromaticContact CE1-ND1 3.31Å; Y116-H140 VanDerWaalsContact CE1-ND1 3.31Å; Y116-H140 WeakPolarHBondContact CE1-ND1 3.34Å; Y116-H140 AromaticContact CE1-NE2 4Å; Y116-H140 HydrophobicContact CG-CB 4.49Å; L117-H140 PolarHBondContact N-O 2.78Å; F118-H140 HydrophobicContact CE1-CB 3.91Å; F118-H140 HydrophobicContact CZ-CB 4.33Å; H140-D164 WeakPolarHBondContact CA-O 3.38Å; H140-D164 IonicContact CD2-OD2 3.08Å; H140-D164 IonicContact CE1-OD2 3.82Å; H140-D164 IonicContact NE2-OD2 3.94Å; H140-D164 PolarHBondContact NE2-OD2 3.1Å
141	L	98.4	Very high	95.3	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.6	174.3	177.6	58.1	0	0	0	109.8	L117 F132 L138 L143 F156 L159 L162 D164 L165 D166	L117-L141 HydrophobicContact CB-CD1 4.2Å; L117-L141 HydrophobicContact CD2-CD1 4.08Å; L117-L141 HydrophobicContact CG-CD1 4.05Å; L117-L141 WeakPolarHBondContact O-CA 3.48Å; F132-L141 HydrophobicContact CD2-CD2 4.13Å; F132-L141 HydrophobicContact CE1-CD1 4.07Å; F132-L141 HydrophobicContact CE2-CD2 3.86Å; F132-L141 HydrophobicContact CZ-CD1 4.08Å; F132-L141 HydrophobicContact CZ-CD2 4.14Å; L138-L141 HydrophobicContact CD2-CB 4.1Å; L138-L141 HydrophobicContact CD2-CD1 4.43Å; L141-L143 HydrophobicContact CD1-CD2 4.48Å; L141-L143 HydrophobicContact CD1-CG 4.35Å; L141-L143 HydrophobicContact CG-CG 4.42Å; L141-F156 HydrophobicContact CD2-CD1 4.22Å; L141-F156 HydrophobicContact CD2-CE1 3.9Å; L141-L159 HydrophobicContact CD2-CD1 3.9Å; L141-L162 HydrophobicContact CB-CD1 3.79Å; L141-D164 PolarHBondContact N-O 2.97Å; L141-L165 HydrophobicContact CB-CD1 4.07Å; L141-L165 HydrophobicContact CD2-CD1 3.94Å; L141-L165 HydrophobicContact CG-CD1 3.92Å; L141-L165 CarbonylContact O-C 3.56Å; L141-L165 VanDerWaalsContact O-CA 3.28Å; L141-L165 WeakPolarHBondContact O-CA 3.31Å; L141-D166 PolarHBondContact O-N 3.13Å
142	S	98.1	Very high	95.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.5	169.2	-175.7	0	0	0	0	110.1	L117 I119 E120 S144	L117-S142 PolarHBondContact O-N 2.84Å; I119-S142 PolarHBondContact N-O 2.89Å; E120-S142 WeakPolarHBondContact CG-OG 3.5Å; E120-S142 WeakPolarHBondContact OE1-CB 3.36Å; E120-S142 PolarHBondContact OE1-OG 2.9Å; S142-S144 PolarHBondContact OG-N 2.9Å; S142-S144 PolarHBondContact OG-OG 3.46Å
143	L	97.1	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.			trans	-119.8	30.5	168.7	-64.8	176.7	0	0	0	109.8	I119 L127 F132 L141 N146 L148 D166 L167 N170	I119-L143 HydrophobicContact CB-CD2 4.03Å; I119-L143 HydrophobicContact CD1-CD2 4.09Å; I119-L143 HydrophobicContact CG1-CD2 4.44Å; I119-L143 WeakPolarHBondContact O-CA 3.32Å; L127-L143 HydrophobicContact CD1-CD1 4.15Å; F132-L143 HydrophobicContact CE2-CD1 4.14Å; F132-L143 HydrophobicContact CZ-CD1 4.08Å; F132-L143 HydrophobicContact CZ-CD2 4.04Å; F132-L143 HydrophobicContact CZ-CG 4.46Å; L141-L143 HydrophobicContact CD1-CD2 4.48Å; L141-L143 HydrophobicContact CD1-CG 4.35Å; L141-L143 HydrophobicContact CG-CG 4.42Å; L143-N146 WeakPolarHBondContact CA-ND2 3.27Å; L143-N146 PolarHBondContact O-ND2 3.37Å; L143-L148 HydrophobicContact CB-CD1 4.19Å; L143-D166 PolarHBondContact N-O 3.01Å; L143-L167 HydrophobicContact CB-CD2 3.95Å; L143-L167 HydrophobicContact CD1-CD2 4.22Å; L143-N170 PolarHBondContact O-ND2 2.86Å
144	S	96.9	Very high	94.8	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.035	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	145.6	-175.2	75.3	0	0	0	0	112.4	E120 N121 S142 N146 R168	E120-S144 WeakPolarHBondContact CA-O 3.4Å; E120-S144 WeakPolarHBondContact CG-OG 3.26Å; E120-S144 PolarHBondContact OE1-OG 2.94Å; N121-S144 PolarHBondContact N-O 3.42Å; N121-S144 VanDerWaalsContact N-O 3.17Å; S142-S144 PolarHBondContact OG-N 2.9Å; S142-S144 PolarHBondContact OG-OG 3.46Å; S144-N146 PolarHBondContact O-N 2.54Å; S144-N146 PolarHBondContact O-ND2 2.75Å; S144-R168 CarbonylContact C-O 3.58Å; S144-R168 WeakPolarHBondContact CA-O 3.45Å; S144-R168 WeakPolarHBondContact CB-O 3.18Å
145	N	96	Very high	95	Very high	70 Å²	70	41.6 Å²	41.6	37%	0.374	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	43.8	175.1	-50.8	-71.8	0	0	0	113.6	N121 N122 R168 G169	N121-N145 VanDerWaalsContact CA-O 3.23Å; N121-N145 WeakPolarHBondContact CA-O 3.41Å; N121-N145 PolarHBondContact N-O 2.85Å; N121-N145 WeakPolarHBondContact OD1-CB 3.42Å; N122-N145 PolarHBondContact N-O 3.36Å; N145-R168 PolarHBondContact N-O 3.47Å; N145-G169 WeakPolarHBondContact CA-O 3.33Å; N145-G169 WeakPolarHBondContact OD1-CA 3.23Å
146	N	95.4	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-107.3	10.2	176.4	-70.1	-69.2	0	0	0	114	I119 N122 I124 L143 S144 L148 N170	I119-N146 PolarHBondContact O-ND2 2.93Å; N122-N146 WeakPolarHBondContact CA-OD1 3.35Å; N122-N146 VanDerWaalsContact CB-OD1 3.23Å; N122-N146 WeakPolarHBondContact CB-OD1 3.4Å; N122-N146 PolarHBondContact N-OD1 3.31Å; N122-N146 VanDerWaalsContact N-OD1 3.11Å; N122-N146 PolarHBondContact ND2-OD1 3.49Å; N122-N146 VanDerWaalsContact O-CA 3.27Å; N122-N146 WeakPolarHBondContact O-CA 3.49Å; I124-N146 HydrophobicContact CB-CB 4.22Å; I124-N146 HydrophobicContact CD1-CB 4.13Å; I124-N146 WeakPolarHBondContact CD1-OD1 3.38Å; I124-N146 HydrophobicContact CG1-CB 4.21Å; I124-N146 PolarHBondContact N-O 2.7Å; L143-N146 WeakPolarHBondContact CA-ND2 3.27Å; L143-N146 PolarHBondContact O-ND2 3.37Å; S144-N146 PolarHBondContact O-N 2.54Å; S144-N146 PolarHBondContact O-ND2 2.75Å; N146-L148 HydrophobicContact CB-CD1 4.06Å; N146-L148 HydrophobicContact CB-CG 3.92Å; N146-L148 PolarHBondContact O-N 3.11Å; N146-L148 VanDerWaalsContact O-N 3.07Å; N146-N170 PolarHBondContact N-OD1 2.7Å; N146-N170 VanDerWaalsContact N-OD1 3.13Å
147	N	91.4	Very high	94.9	Very high	87 Å²	87	41 Å²	41	47%	0.465	20%	0.202	S	C	.	.			trans	54.9	24.8	-176.9	-67	-39.8	0	0	0	114.7	D123 Q149 N170	D123-N147 PolarHBondContact OD1-ND2 2.84Å; N147-Q149 PolarHBondContact O-N 3.19Å; N147-N170 PolarHBondContact N-OD1 3.34Å
148	L	93.9	Very high	94.5	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	21%	0.206	C	C	.	.			trans	-64.1	128.1	-178.2	-65.4	163.3	0	0	0	110.5	I124 L127 L143 N146 L151 N170 S171 F172	I124-L148 HydrophobicContact CB-CD2 4.06Å; I124-L148 HydrophobicContact CG2-CD2 4.01Å; I124-L148 WeakPolarHBondContact O-CD2 3.48Å; L127-L148 HydrophobicContact CD1-CD1 4.17Å; L127-L148 HydrophobicContact CD1-CD2 3.97Å; L127-L148 HydrophobicContact CG-CD2 4.41Å; L143-L148 HydrophobicContact CB-CD1 4.19Å; N146-L148 HydrophobicContact CB-CD1 4.06Å; N146-L148 HydrophobicContact CB-CG 3.92Å; N146-L148 PolarHBondContact O-N 3.11Å; N146-L148 VanDerWaalsContact O-N 3.07Å; L148-L151 HydrophobicContact CD1-CD2 3.91Å; L148-N170 HydrophobicContact CB-CB 4.12Å; L148-N170 WeakPolarHBondContact CB-OD1 3.49Å; L148-N170 WeakPolarHBondContact CG-OD1 3.13Å; L148-N170 PolarHBondContact N-OD1 3.38Å; L148-S171 CarbonylContact O-C 3.56Å; L148-S171 VanDerWaalsContact O-C 3.29Å; L148-S171 PolarHBondContact O-N 3.05Å; L148-F172 HydrophobicContact CB-CE1 4.23Å; L148-F172 PolarHBondContact O-N 3.38Å
149	Q	93.4	Very high	94.3	Very high	126 Å²	126	43.4 Å²	43.4	59%	0.589	21%	0.209	S	C	*	.	S	Bend	trans	-94	-26.8	174.6	-62.9	-174.4	14.7	0	0	112.5	N147 S171 F172 R173	N147-Q149 PolarHBondContact O-N 3.19Å; Q149-S171 WeakPolarHBondContact CA-O 3.48Å; Q149-F172 WeakPolarHBondContact O-CA 3.19Å; Q149-R173 PolarHBondContact O-N 2.94Å
150	Q	91.6	Very high	93.9	Very high	93 Å²	93	48.5 Å²	48.5	44%	0.435	24%	0.235	S	C	.	.			trans	-148.4	155.1	-178.9	58.9	-179.8	30	0	0	109.1
151	L	93.4	Very high	93.8	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	25%	0.246	C	C	.	.			trans	-116.8	135.6	169	-64.2	173.6	0	0	0	108.6	L127 L148 L155 F156 L167 F172 W180 L181	L127-L151 HydrophobicContact CD1-CD2 4.01Å; L148-L151 HydrophobicContact CD1-CD2 3.91Å; L151-L155 HydrophobicContact CB-CD2 4.28Å; L151-L155 HydrophobicContact CD2-CD2 3.95Å; L151-F156 HydrophobicContact CD1-CE2 4.34Å; L151-F156 HydrophobicContact CD1-CZ 4Å; L151-L167 HydrophobicContact CD1-CD1 4.02Å; L151-L167 HydrophobicContact CD1-CD2 3.94Å; L151-F172 HydrophobicContact CD1-CE1 4.14Å; L151-F172 HydrophobicContact CD1-CZ 4.32Å; L151-F172 HydrophobicContact CG-CE1 3.95Å; L151-W180 HydrophobicContact CB-CZ2 3.67Å; L151-W180 PolarHBondContact O-NE1 3.43Å; L151-L181 HydrophobicContact CD1-CD1 4.48Å; L151-L181 HydrophobicContact CD1-CD2 4.06Å
152	P	92.6	Very high	93.7	Very high	32 Å²	32	50.7 Å²	50.7	21%	0.208	25%	0.248	C	C	.	.			trans	-60.3	142.2	176.4	28.3	-38.5	0	0	0	110.7	L127 K129 L155 W180	L127-P152 HydrophobicContact CB-CG 4.08Å; L127-P152 VanDerWaalsContact O-CG 3.24Å; L127-P152 WeakPolarHBondContact O-CG 3.04Å; K129-P152 HydrophobicContact CB-CB 4.32Å; P152-L155 HydrophobicContact CG-CB 4.11Å; P152-L155 HydrophobicContact CG-CD1 3.96Å; P152-L155 HydrophobicContact CG-CD2 4.19Å; P152-L155 HydrophobicContact CG-CG 4.31Å; P152-L155 WeakPolarHBondContact O-CB 3.41Å; P152-L155 PolarHBondContact O-N 3.04Å; P152-W180 WeakPolarHBondContact O-CZ2 3.42Å
153	R	91.3	Very high	93.7	Very high	113 Å²	113	53.7 Å²	53.7	43%	0.426	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	143.2	175.3	-177.7	174	174.7	171.8	-1.9	110.8	K129 L155 W180 S547	K129-R153 WeakPolarHBondContact CB-O 3.45Å; R153-L155 PolarHBondContact O-N 2.96Å; R153-W180 HydrophobicContact CB-CG 4.21Å; R153-W180 HydrophobicContact CG-CB 4.18Å; R153-W180 HydrophobicContact CG-CG 4.08Å; R153-S547 PolarHBondContact NH1-O 2.91Å; R153-S547 VanDerWaalsContact NH1-O 3.11Å
154	D	91.8	Very high	93.7	Very high	65 Å²	65	56.5 Å²	56.5	35%	0.348	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	13.9	179.7	-59.9	-14.2	0	0	0	115.1	F156 K157	D154-F156 PolarHBondContact O-N 2.97Å; D154-F156 VanDerWaalsContact O-N 3.09Å; D154-K157 HydrophobicContact CB-CB 3.98Å; D154-K157 HydrophobicContact CB-CD 4Å; D154-K157 WeakPolarHBondContact O-CB 3.42Å; D154-K157 PolarHBondContact O-N 3.28Å
155	L	94.8	Very high	93.8	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-37	178.4	-175.2	58.2	0	0	0	113.6	L127 S128 F132 L151 P152 R153 W180	L127-L155 HydrophobicContact CD1-CD2 4.23Å; S128-L155 WeakPolarHBondContact O-CD1 3.35Å; F132-L155 HydrophobicContact CD2-CD1 3.56Å; F132-L155 HydrophobicContact CD2-CD2 4.47Å; F132-L155 HydrophobicContact CD2-CG 3.77Å; F132-L155 HydrophobicContact CE2-CD1 3.62Å; F132-L155 HydrophobicContact CE2-CD2 3.94Å; F132-L155 HydrophobicContact CE2-CG 3.73Å; L151-L155 HydrophobicContact CB-CD2 4.28Å; L151-L155 HydrophobicContact CD2-CD2 3.95Å; P152-L155 HydrophobicContact CG-CB 4.11Å; P152-L155 HydrophobicContact CG-CD1 3.96Å; P152-L155 HydrophobicContact CG-CD2 4.19Å; P152-L155 HydrophobicContact CG-CG 4.31Å; P152-L155 WeakPolarHBondContact O-CB 3.41Å; P152-L155 PolarHBondContact O-N 3.04Å; R153-L155 PolarHBondContact O-N 2.96Å; L155-W180 HydrophobicContact CB-CH2 4.12Å; L155-W180 HydrophobicContact CB-CZ2 4.38Å
156	F	94.9	Very high	93.9	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5.8	-177.1	-50.1	-42	0	0	0	113.7	F132 L141 L151 D154 H158 L159 L165 W180 L181 W184	F132-F156 HydrophobicContact CE2-CE1 4.43Å; L141-F156 HydrophobicContact CD2-CD1 4.22Å; L141-F156 HydrophobicContact CD2-CE1 3.9Å; L151-F156 HydrophobicContact CD1-CE2 4.34Å; L151-F156 HydrophobicContact CD1-CZ 4Å; D154-F156 PolarHBondContact O-N 2.97Å; D154-F156 VanDerWaalsContact O-N 3.09Å; F156-H158 PolarHBondContact O-N 3.27Å; F156-L159 HydrophobicContact CB-CD1 4.3Å; F156-L159 HydrophobicContact CD1-CD1 3.92Å; F156-L159 PolarHBondContact O-N 2.71Å; F156-L159 VanDerWaalsContact O-N 3.08Å; F156-L165 HydrophobicContact CD2-CD2 4.2Å; F156-L165 HydrophobicContact CE1-CD1 4.27Å; F156-L165 HydrophobicContact CE1-CD2 4.4Å; F156-L165 HydrophobicContact CE2-CD2 3.59Å; F156-L165 HydrophobicContact CZ-CD1 4.12Å; F156-L165 HydrophobicContact CZ-CD2 3.71Å; F156-W180 AromaticContact CD2-CH2 3.66Å; F156-W180 HydrophobicContact CD2-CH2 3.66Å; F156-W180 AromaticContact CD2-CZ3 3.86Å; F156-W180 HydrophobicContact CD2-CZ3 3.86Å; F156-W180 AromaticContact CE2-CH2 3.69Å; F156-W180 HydrophobicContact CE2-CH2 3.69Å; F156-W180 HydrophobicContact CE2-CZ3 4.25Å; F156-W180 HydrophobicContact CG-CH2 4.42Å; F156-W180 HydrophobicContact CZ-CH2 4.48Å; F156-L181 HydrophobicContact CE2-CD1 3.92Å; F156-W184 HydrophobicContact CB-CZ2 4.41Å; F156-W184 HydrophobicContact CD2-CD2 4.15Å; F156-W184 HydrophobicContact CD2-CE3 4.28Å; F156-W184 HydrophobicContact CD2-CH2 4.27Å; F156-W184 HydrophobicContact CD2-CZ2 4.13Å; F156-W184 HydrophobicContact CD2-CZ3 4.34Å; F156-W184 HydrophobicContact CE2-CZ3 4.5Å
157	K	91.6	Very high	94	Very high	132 Å²	132	54.2 Å²	54.2	57%	0.574	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.1	-172.4	179.3	175.3	-178.8	174.3	0	114.3	D154	D154-K157 HydrophobicContact CB-CB 3.98Å; D154-K157 HydrophobicContact CB-CD 4Å; D154-K157 WeakPolarHBondContact O-CB 3.42Å; D154-K157 PolarHBondContact O-N 3.28Å
158	H	88.2	Confident	94.2	Very high	72 Å²	72	56.4 Å²	56.4	33%	0.333	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	7.8	-176.6	-63.6	-60.8	0	0	0	113.7	F156	F156-H158 PolarHBondContact O-N 3.27Å
159	L	94	Very high	94.3	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.068	29%	0.29	C	S	.	.			trans	-102.9	65.7	-175.6	-55.9	-177.8	0	0	0	110.6	F132 L135 L138 L141 F156 I161 L162	F132-L159 HydrophobicContact CB-CD1 4.38Å; F132-L159 HydrophobicContact CB-CD2 4.09Å; F132-L159 HydrophobicContact CB-CG 4.5Å; L135-L159 HydrophobicContact CB-CD2 3.97Å; L138-L159 HydrophobicContact CB-CD2 4.25Å; L138-L159 HydrophobicContact CD2-CD1 4.29Å; L138-L159 HydrophobicContact CD2-CD2 3.91Å; L141-L159 HydrophobicContact CD2-CD1 3.9Å; F156-L159 HydrophobicContact CB-CD1 4.3Å; F156-L159 HydrophobicContact CD1-CD1 3.92Å; F156-L159 PolarHBondContact O-N 2.71Å; F156-L159 VanDerWaalsContact O-N 3.08Å; L159-I161 VanDerWaalsContact C-N 3.25Å; L159-I161 PolarHBondContact O-N 3Å; L159-L162 HydrophobicContact CB-CB 4.09Å; L159-L162 HydrophobicContact CB-CD2 4.44Å; L159-L162 HydrophobicContact CD1-CD1 4.5Å; L159-L162 HydrophobicContact CD1-CD2 4.13Å; L159-L162 PolarHBondContact O-N 3.15Å
160	D	89.5	Confident	94.4	Very high	135 Å²	135	53 Å²	53	72%	0.722	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.8	-167.7	-59.7	-45.6	0	0	0	114.6
161	I	95.4	Very high	94.6	Very high	87 Å²	87	51.1 Å²	51.1	45%	0.446	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	19.3	-175.4	68	170.4	0	0	0	113.3	T139 L159 T163	T139-I161 HydrophobicContact CG2-CD1 4.15Å; T139-I161 HydrophobicContact CG2-CG1 4.39Å; L159-I161 VanDerWaalsContact C-N 3.25Å; L159-I161 PolarHBondContact O-N 3Å; I161-T163 PolarHBondContact O-N 3.06Å
162	L	97.1	Very high	94.7	Very high	12 Å²	12	50.9 Å²	50.9	6%	0.063	26%	0.261	C	S	.	.			trans	-65.8	116.9	-178.2	-169	72.2	0	0	0	111.1	L138 T139 L141 L159 L165 W184 T190	L138-L162 HydrophobicContact CD2-CD1 4.42Å; T139-L162 WeakPolarHBondContact O-CD1 3.34Å; L141-L162 HydrophobicContact CB-CD1 3.79Å; L159-L162 HydrophobicContact CB-CB 4.09Å; L159-L162 HydrophobicContact CB-CD2 4.44Å; L159-L162 HydrophobicContact CD1-CD1 4.5Å; L159-L162 HydrophobicContact CD1-CD2 4.13Å; L159-L162 PolarHBondContact O-N 3.15Å; L162-L165 HydrophobicContact CD2-CB 4.15Å; L162-W184 HydrophobicContact CD2-CZ2 4.5Å; L162-T190 HydrophobicContact CD2-CG2 3.96Å; L162-T190 HydrophobicContact CG-CG2 3.91Å; L162-T190 PolarHBondContact O-OG1 3.19Å
163	T	97.2	Very high	94.8	Very high	65 Å²	65	55.4 Å²	55.4	40%	0.399	28%	0.275	S	S	.	.			trans	-95.1	-35.8	179.6	62.9	0	0	0	0	112.1	T139 I161 T190 S191	T139-T163 PolarHBondContact O-N 2.78Å; T139-T163 PolarHBondContact O-OG1 3.45Å; T139-T163 VanDerWaalsContact O-OG1 3.05Å; I161-T163 PolarHBondContact O-N 3.06Å; T163-T190 CarbonylContact O-C 3.49Å; T163-T190 WeakPolarHBondContact O-CA 2.97Å; T163-S191 WeakPolarHBondContact O-CB 3.27Å; T163-S191 PolarHBondContact O-N 3.2Å
164	D	98.1	Very high	95	Very high	58 Å²	58	50 Å²	50	31%	0.31	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.7	-173.5	-66.7	-89.9	0	0	0	111.5	T139 H140 L141 S191	T139-D164 PolarHBondContact O-N 2.84Å; H140-D164 WeakPolarHBondContact CA-O 3.38Å; H140-D164 IonicContact CD2-OD2 3.08Å; H140-D164 IonicContact CE1-OD2 3.82Å; H140-D164 IonicContact NE2-OD2 3.94Å; H140-D164 PolarHBondContact NE2-OD2 3.1Å; L141-D164 PolarHBondContact N-O 2.97Å; D164-S191 WeakPolarHBondContact OD1-CB 3.24Å
165	L	97.9	Very high	94.9	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.1	177.6	173.7	63.8	0	0	0	110.2	L141 F156 L162 L167 W184 T190 S191 V192 P193	L141-L165 HydrophobicContact CB-CD1 4.07Å; L141-L165 HydrophobicContact CD2-CD1 3.94Å; L141-L165 HydrophobicContact CG-CD1 3.92Å; L141-L165 CarbonylContact O-C 3.56Å; L141-L165 VanDerWaalsContact O-CA 3.28Å; L141-L165 WeakPolarHBondContact O-CA 3.31Å; F156-L165 HydrophobicContact CD2-CD2 4.2Å; F156-L165 HydrophobicContact CE1-CD1 4.27Å; F156-L165 HydrophobicContact CE1-CD2 4.4Å; F156-L165 HydrophobicContact CE2-CD2 3.59Å; F156-L165 HydrophobicContact CZ-CD1 4.12Å; F156-L165 HydrophobicContact CZ-CD2 3.71Å; L162-L165 HydrophobicContact CD2-CB 4.15Å; L165-L167 HydrophobicContact CD1-CD2 4.3Å; L165-L167 HydrophobicContact CD1-CG 4.13Å; L165-L167 HydrophobicContact CD2-CD1 3.84Å; L165-L167 HydrophobicContact CD2-CG 4.24Å; L165-L167 HydrophobicContact CG-CD1 4.13Å; L165-L167 HydrophobicContact CG-CG 3.98Å; L165-W184 HydrophobicContact CD2-CH2 3.54Å; L165-W184 HydrophobicContact CD2-CZ3 3.64Å; L165-T190 HydrophobicContact CB-CG2 3.74Å; L165-S191 PolarHBondContact N-O 2.95Å; L165-V192 HydrophobicContact CB-CG2 4.25Å; L165-V192 HydrophobicContact CD2-CG2 4.39Å; L165-P193 WeakPolarHBondContact O-CD 3.31Å
166	D	98	Very high	94.7	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.134	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121	173.6	-163	-7.2	0	0	0	111.7	L141 L143 R168	L141-D166 PolarHBondContact O-N 3.13Å; L143-D166 PolarHBondContact N-O 3.01Å; D166-R168 VanDerWaalsContact OD1-CB 3.32Å; D166-R168 WeakPolarHBondContact OD1-CB 3.2Å; D166-R168 VanDerWaalsContact OD1-CG 3.27Å; D166-R168 WeakPolarHBondContact OD1-CG 3.25Å; D166-R168 IonicContact OD1-CZ 3.42Å; D166-R168 PolarHBondContact OD1-N 3.31Å; D166-R168 IonicContact OD1-NE 2.68Å; D166-R168 PolarHBondContact OD1-NE 2.86Å; D166-R168 IonicContact OD2-CZ 2.7Å; D166-R168 IonicContact OD2-NE 3.8Å; D166-R168 PolarHBondContact OD2-NE 3.17Å; D166-R168 VanDerWaalsContact OD2-NE 3.14Å; D166-R168 IonicContact OD2-NH2 3.47Å; D166-R168 PolarHBondContact OD2-NH2 2.79Å
167	L	97.1	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.			trans	-123.5	10.7	178.6	-69.2	172	0	0	0	112.2	L143 L151 L165 N170 F172 L181 I195	L143-L167 HydrophobicContact CB-CD2 3.95Å; L143-L167 HydrophobicContact CD1-CD2 4.22Å; L151-L167 HydrophobicContact CD1-CD1 4.02Å; L151-L167 HydrophobicContact CD1-CD2 3.94Å; L165-L167 HydrophobicContact CD1-CD2 4.3Å; L165-L167 HydrophobicContact CD1-CG 4.13Å; L165-L167 HydrophobicContact CD2-CD1 3.84Å; L165-L167 HydrophobicContact CD2-CG 4.24Å; L165-L167 HydrophobicContact CG-CD1 4.13Å; L165-L167 HydrophobicContact CG-CG 3.98Å; L167-N170 PolarHBondContact O-ND2 3.07Å; L167-F172 HydrophobicContact CB-CE2 4.07Å; L167-F172 HydrophobicContact CB-CZ 4.07Å; L167-F172 HydrophobicContact CD1-CZ 4.43Å; L167-F172 HydrophobicContact CD2-CZ 4.23Å; L167-F172 HydrophobicContact CG-CZ 4.49Å; L167-L181 HydrophobicContact CD1-CD1 4.46Å; L167-L181 HydrophobicContact CD1-CD2 4.38Å; L167-I195 HydrophobicContact CB-CD1 4.23Å; L167-I195 HydrophobicContact CB-CG2 3.88Å; L167-I195 HydrophobicContact CD1-CD1 4.09Å
168	R	97.3	Very high	94.5	Very high	133 Å²	133	47 Å²	47	50%	0.502	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	155.6	-178.6	-67.9	177.5	-65.4	166.9	4.2	111.8	S144 N145 D166 N170 P193 I195	S144-R168 CarbonylContact C-O 3.58Å; S144-R168 WeakPolarHBondContact CA-O 3.45Å; S144-R168 WeakPolarHBondContact CB-O 3.18Å; N145-R168 PolarHBondContact N-O 3.47Å; D166-R168 VanDerWaalsContact OD1-CB 3.32Å; D166-R168 WeakPolarHBondContact OD1-CB 3.2Å; D166-R168 VanDerWaalsContact OD1-CG 3.27Å; D166-R168 WeakPolarHBondContact OD1-CG 3.25Å; D166-R168 IonicContact OD1-CZ 3.42Å; D166-R168 PolarHBondContact OD1-N 3.31Å; D166-R168 IonicContact OD1-NE 2.68Å; D166-R168 PolarHBondContact OD1-NE 2.86Å; D166-R168 IonicContact OD2-CZ 2.7Å; D166-R168 IonicContact OD2-NE 3.8Å; D166-R168 PolarHBondContact OD2-NE 3.17Å; D166-R168 VanDerWaalsContact OD2-NE 3.14Å; D166-R168 IonicContact OD2-NH2 3.47Å; D166-R168 PolarHBondContact OD2-NH2 2.79Å; R168-N170 PolarHBondContact O-N 3.4Å; R168-P193 HydrophobicContact CG-CB 3.9Å; R168-I195 HydrophobicContact CG-CG2 4.31Å
169	G	95.2	Very high	94.7	Very high	42 Å²	42	46.2 Å²	46.2	43%	0.433	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	14.2	178.3	0	0	0	0	0	114.8	N145	N145-G169 WeakPolarHBondContact CA-O 3.33Å; N145-G169 WeakPolarHBondContact OD1-CA 3.23Å
170	N	96.2	Very high	94.7	Very high	18 Å²	18	47.2 Å²	47.2	10%	0.096	24%	0.24	C	C	.	.			trans	-98	161.8	170.3	-70.3	-64.1	0	0	0	111.2	L143 N146 N147 L148 L167 R168 F172	L143-N170 PolarHBondContact O-ND2 2.86Å; N146-N170 PolarHBondContact N-OD1 2.7Å; N146-N170 VanDerWaalsContact N-OD1 3.13Å; N147-N170 PolarHBondContact N-OD1 3.34Å; L148-N170 HydrophobicContact CB-CB 4.12Å; L148-N170 WeakPolarHBondContact CB-OD1 3.49Å; L148-N170 WeakPolarHBondContact CG-OD1 3.13Å; L148-N170 PolarHBondContact N-OD1 3.38Å; L167-N170 PolarHBondContact O-ND2 3.07Å; R168-N170 PolarHBondContact O-N 3.4Å; N170-F172 HydrophobicContact CB-CD2 4.19Å; N170-F172 HydrophobicContact CB-CE1 4.17Å; N170-F172 HydrophobicContact CB-CE2 3.69Å; N170-F172 HydrophobicContact CB-CZ 3.67Å
171	S	95.4	Very high	94.9	Very high	52 Å²	52	40.8 Å²	40.8	36%	0.364	21%	0.206	S	C	.	.			trans	-111.3	58.2	-173.4	-68.8	0	0	0	0	111.6	L148 Q149 R173	L148-S171 CarbonylContact O-C 3.56Å; L148-S171 VanDerWaalsContact O-C 3.29Å; L148-S171 PolarHBondContact O-N 3.05Å; Q149-S171 WeakPolarHBondContact CA-O 3.48Å; S171-R173 PolarHBondContact O-N 2.96Å
172	F	95.6	Very high	94.9	Very high	2 Å²	2	37 Å²	37	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	131.9	-170.7	-69	-58.8	0	0	0	113.9	L148 Q149 L151 L167 N170 I178 I195 A198 S199 I208	L148-F172 HydrophobicContact CB-CE1 4.23Å; L148-F172 PolarHBondContact O-N 3.38Å; Q149-F172 WeakPolarHBondContact O-CA 3.19Å; L151-F172 HydrophobicContact CD1-CE1 4.14Å; L151-F172 HydrophobicContact CD1-CZ 4.32Å; L151-F172 HydrophobicContact CG-CE1 3.95Å; L167-F172 HydrophobicContact CB-CE2 4.07Å; L167-F172 HydrophobicContact CB-CZ 4.07Å; L167-F172 HydrophobicContact CD1-CZ 4.43Å; L167-F172 HydrophobicContact CD2-CZ 4.23Å; L167-F172 HydrophobicContact CG-CZ 4.49Å; N170-F172 HydrophobicContact CB-CD2 4.19Å; N170-F172 HydrophobicContact CB-CE1 4.17Å; N170-F172 HydrophobicContact CB-CE2 3.69Å; N170-F172 HydrophobicContact CB-CZ 3.67Å; F172-I178 HydrophobicContact CB-CD1 3.66Å; F172-I178 HydrophobicContact CD1-CD1 4.01Å; F172-I178 HydrophobicContact CG-CD1 3.9Å; F172-I195 HydrophobicContact CD2-CD1 4.39Å; F172-I195 HydrophobicContact CE2-CB 4.43Å; F172-I195 HydrophobicContact CE2-CD1 4.01Å; F172-A198 PolarHBondContact O-N 2.96Å; F172-S199 PolarHBondContact O-N 3.18Å; F172-I208 HydrophobicContact CB-CD1 3.93Å; F172-I208 HydrophobicContact CD2-CD1 3.68Å; F172-I208 HydrophobicContact CG-CD1 4Å
173	R	94.8	Very high	94.7	Very high	128 Å²	128	39.1 Å²	39.1	48%	0.483	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111	167.4	-178.5	174.6	178.6	-173.5	-2.3	109.2	Q149 S171 D175 S199	Q149-R173 PolarHBondContact O-N 2.94Å; S171-R173 PolarHBondContact O-N 2.96Å; R173-D175 VanDerWaalsContact C-N 3.31Å; R173-D175 WeakPolarHBondContact CD-OD2 3.32Å; R173-D175 HydrophobicContact CG-CB 4.42Å; R173-D175 IonicContact CZ-OD2 3Å; R173-D175 IonicContact NE-OD2 3.3Å; R173-D175 PolarHBondContact NE-OD2 3.22Å; R173-D175 IonicContact NH2-OD2 3.86Å; R173-D175 PolarHBondContact O-N 3.28Å; R173-D175 VanDerWaalsContact O-N 3.08Å; R173-S199 CarbonylContact C-O 3.6Å; R173-S199 WeakPolarHBondContact CA-OG 3.25Å; R173-S199 WeakPolarHBondContact CB-OG 3.48Å; R173-S199 WeakPolarHBondContact CG-OG 3.23Å
174	C	94.4	Very high	94.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.			trans	-86	70.4	-178.9	-67.7	0	0	0	0	111.9	I178 C197 S199 P200 F203 L211 F216	C174-I178 HydrophobicContact CB-CG2 4.13Å; C174-C197 HydrophobicContact CB-CB 3.72Å; C174-C197 WeakPolarHBondContact CB-SG 3.33Å; C174-C197 VanDerWaalsContact SG-CA 3.53Å; C174-C197 WeakPolarHBondContact SG-CB 3.45Å; C174-C197 CovalentContact SG-SG 2.02Å; C174-C197 PolarHBondContact SG-SG 3.14Å; C174-S199 PolarHBondContact N-O 3.34Å; C174-P200 VanDerWaalsContact O-CD 3.25Å; C174-P200 WeakPolarHBondContact O-CD 3.32Å; C174-F203 HydrophobicContact CB-CB 4Å; C174-F203 HydrophobicContact CB-CD2 4.46Å; C174-F203 HydrophobicContact CB-CG 4.38Å; C174-F203 WeakPolarHBondContact O-CD2 3.45Å; C174-L211 HydrophobicContact CB-CD1 4.32Å; C174-F216 HydrophobicContact CB-CE1 4.38Å
175	D	90.8	Very high	94.3	Very high	37 Å²	37	36.4 Å²	36.4	20%	0.198	18%	0.177	C	C	.	.	S	Bend	trans	-113.9	-162	170.1	67.1	22.1	0	0	0	111	R173 K177 I178 F216	R173-D175 VanDerWaalsContact C-N 3.31Å; R173-D175 WeakPolarHBondContact CD-OD2 3.32Å; R173-D175 HydrophobicContact CG-CB 4.42Å; R173-D175 IonicContact CZ-OD2 3Å; R173-D175 IonicContact NE-OD2 3.3Å; R173-D175 PolarHBondContact NE-OD2 3.22Å; R173-D175 IonicContact NH2-OD2 3.86Å; R173-D175 PolarHBondContact O-N 3.28Å; R173-D175 VanDerWaalsContact O-N 3.08Å; D175-K177 PolarHBondContact O-N 3.19Å; D175-K177 VanDerWaalsContact O-N 3.13Å; D175-K177 WeakPolarHBondContact OD1-CB 3.48Å; D175-K177 PolarHBondContact OD1-N 3.17Å; D175-I178 WeakPolarHBondContact O-CG2 3.47Å; D175-I178 PolarHBondContact O-N 2.62Å; D175-I178 VanDerWaalsContact O-N 3.12Å; D175-F216 WeakPolarHBondContact O-CD1 3.43Å
176	C	90.1	Very high	94	Very high	17 Å²	17	43 Å²	43	12%	0.115	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.9	-179	-75.7	0	0	0	0	115.8	I178 K179 C218 L546	C176-I178 VanDerWaalsContact C-N 3.34Å; C176-K179 VanDerWaalsContact O-CB 3.27Å; C176-K179 WeakPolarHBondContact O-CB 3.27Å; C176-K179 PolarHBondContact O-N 3.43Å; C176-C218 WeakPolarHBondContact CA-SG 3.49Å; C176-C218 HydrophobicContact CB-CB 3.69Å; C176-C218 WeakPolarHBondContact CB-SG 2.92Å; C176-C218 WeakPolarHBondContact SG-CA 3.13Å; C176-C218 WeakPolarHBondContact SG-CB 3.39Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 2.81Å; C176-L546 HydrophobicContact CB-CB 3.71Å
177	K	90.7	Very high	93.7	Very high	84 Å²	84	48.7 Å²	48.7	37%	0.365	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.3	178.1	-62.4	-175.5	-179.8	-173.6	0	112.4	D175 K179 W180	D175-K177 PolarHBondContact O-N 3.19Å; D175-K177 VanDerWaalsContact O-N 3.13Å; D175-K177 WeakPolarHBondContact OD1-CB 3.48Å; D175-K177 PolarHBondContact OD1-N 3.17Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-W180 PolarHBondContact O-NE1 2.92Å
178	I	92.4	Very high	93.5	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.1	176.4	-146.8	157.2	0	0	0	112.9	F172 C174 D175 C176 W180 L181 V182 I208 F216	F172-I178 HydrophobicContact CB-CD1 3.66Å; F172-I178 HydrophobicContact CD1-CD1 4.01Å; F172-I178 HydrophobicContact CG-CD1 3.9Å; C174-I178 HydrophobicContact CB-CG2 4.13Å; D175-I178 WeakPolarHBondContact O-CG2 3.47Å; D175-I178 PolarHBondContact O-N 2.62Å; D175-I178 VanDerWaalsContact O-N 3.12Å; C176-I178 VanDerWaalsContact C-N 3.34Å; I178-W180 PolarHBondContact O-N 3.12Å; I178-W180 VanDerWaalsContact O-N 3.13Å; I178-L181 HydrophobicContact CD1-CD2 4.28Å; I178-L181 HydrophobicContact CG1-CB 4.06Å; I178-L181 HydrophobicContact CG1-CD2 3.98Å; I178-L181 WeakPolarHBondContact O-CA 3.27Å; I178-L181 WeakPolarHBondContact O-CB 3.23Å; I178-L181 PolarHBondContact O-N 3.18Å; I178-V182 HydrophobicContact CG2-CG2 4.44Å; I178-V182 PolarHBondContact O-N 3.11Å; I178-I208 HydrophobicContact CD1-CD1 3.78Å; I178-F216 HydrophobicContact CG2-CE1 3.86Å; I178-F216 HydrophobicContact CG2-CZ 3.77Å
179	K	92.3	Very high	93.3	Very high	56 Å²	56	52.1 Å²	52.1	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-52.8	-38.3	-176.3	-177.2	179.3	177.5	173.7	0	112.8	C176 K177 L181 V182 D183 P213 F216	C176-K179 VanDerWaalsContact O-CB 3.27Å; C176-K179 WeakPolarHBondContact O-CB 3.27Å; C176-K179 PolarHBondContact O-N 3.43Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 3.13Å; K179-V182 PolarHBondContact O-N 2.87Å; K179-D183 PolarHBondContact O-N 3.47Å; K179-P213 VanDerWaalsContact CE-O 3.31Å; K179-P213 WeakPolarHBondContact CE-O 3.36Å; K179-P213 HydrophobicContact CG-CB 4.43Å; K179-F216 HydrophobicContact CB-CD2 4.21Å; K179-F216 HydrophobicContact CB-CG 4.35Å; K179-F216 HydrophobicContact CD-CB 4.21Å; K179-F216 HydrophobicContact CG-CB 4.45Å; K179-F216 HydrophobicContact CG-CD2 4.14Å
180	W	93.1	Very high	93.3	Very high	33 Å²	33	50.9 Å²	50.9	13%	0.125	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-34.6	178.3	78.6	-97	0	0	0	112.2	L151 P152 R153 L155 F156 K177 I178 D183 W184	L151-W180 HydrophobicContact CB-CZ2 3.67Å; L151-W180 PolarHBondContact O-NE1 3.43Å; P152-W180 WeakPolarHBondContact O-CZ2 3.42Å; R153-W180 HydrophobicContact CB-CG 4.21Å; R153-W180 HydrophobicContact CG-CB 4.18Å; R153-W180 HydrophobicContact CG-CG 4.08Å; L155-W180 HydrophobicContact CB-CH2 4.12Å; L155-W180 HydrophobicContact CB-CZ2 4.38Å; F156-W180 AromaticContact CD2-CH2 3.66Å; F156-W180 HydrophobicContact CD2-CH2 3.66Å; F156-W180 AromaticContact CD2-CZ3 3.86Å; F156-W180 HydrophobicContact CD2-CZ3 3.86Å; F156-W180 AromaticContact CE2-CH2 3.69Å; F156-W180 HydrophobicContact CE2-CH2 3.69Å; F156-W180 HydrophobicContact CE2-CZ3 4.25Å; F156-W180 HydrophobicContact CG-CH2 4.42Å; F156-W180 HydrophobicContact CZ-CH2 4.48Å; K177-W180 PolarHBondContact O-NE1 2.92Å; I178-W180 PolarHBondContact O-N 3.12Å; I178-W180 VanDerWaalsContact O-N 3.13Å; W180-D183 PolarHBondContact O-N 2.89Å; W180-W184 HydrophobicContact CE3-CB 4.21Å; W180-W184 HydrophobicContact CZ3-CB 4.28Å; W180-W184 HydrophobicContact CZ3-CG 4.41Å; W180-W184 VanDerWaalsContact O-CB 3.28Å; W180-W184 WeakPolarHBondContact O-CB 3.26Å; W180-W184 PolarHBondContact O-N 3.13Å
181	L	94.4	Very high	93.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-41	178.6	179.9	64.5	0	0	0	110	L151 F156 L167 I178 K179 W184 M185 I195	L151-L181 HydrophobicContact CD1-CD1 4.48Å; L151-L181 HydrophobicContact CD1-CD2 4.06Å; F156-L181 HydrophobicContact CE2-CD1 3.92Å; L167-L181 HydrophobicContact CD1-CD1 4.46Å; L167-L181 HydrophobicContact CD1-CD2 4.38Å; I178-L181 HydrophobicContact CD1-CD2 4.28Å; I178-L181 HydrophobicContact CG1-CB 4.06Å; I178-L181 HydrophobicContact CG1-CD2 3.98Å; I178-L181 WeakPolarHBondContact O-CA 3.27Å; I178-L181 WeakPolarHBondContact O-CB 3.23Å; I178-L181 PolarHBondContact O-N 3.18Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 3.13Å; L181-W184 HydrophobicContact CD1-CE3 3.97Å; L181-W184 HydrophobicContact CD1-CZ3 4.48Å; L181-W184 PolarHBondContact O-N 3.17Å; L181-M185 HydrophobicContact CD1-CG 4.26Å; L181-M185 HydrophobicContact CD1-SD 4.45Å; L181-M185 HydrophobicContact CG-CG 4.38Å; L181-M185 HydrophobicContact CG-SD 4.14Å; L181-M185 WeakPolarHBondContact O-CB 3.35Å; L181-M185 WeakPolarHBondContact O-CG 3.43Å; L181-M185 PolarHBondContact O-N 3.12Å; L181-I195 HydrophobicContact CD2-CD1 4.42Å
182	V	94.1	Very high	93.4	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-48.9	173.5	175.3	0	0	0	0	110.7	I178 K179 W184 M185 E186 I208 L211 P213 F216	I178-V182 HydrophobicContact CG2-CG2 4.44Å; I178-V182 PolarHBondContact O-N 3.11Å; K179-V182 PolarHBondContact O-N 2.87Å; V182-W184 PolarHBondContact O-N 3.38Å; V182-M185 PolarHBondContact O-N 3.21Å; V182-E186 PolarHBondContact O-N 3.33Å; V182-E186 VanDerWaalsContact O-N 3.12Å; V182-I208 HydrophobicContact CG2-CG2 3.72Å; V182-L211 HydrophobicContact CG1-CB 4.4Å; V182-L211 WeakPolarHBondContact CG1-O 3.42Å; V182-L211 HydrophobicContact CG2-CB 4.38Å; V182-P213 HydrophobicContact CG1-CG 4.45Å; V182-F216 HydrophobicContact CB-CE2 4.34Å; V182-F216 HydrophobicContact CG1-CE2 4.44Å; V182-F216 HydrophobicContact CG2-CE2 3.86Å; V182-F216 HydrophobicContact CG2-CZ 4.04Å
183	D	92.8	Very high	93.4	Very high	57 Å²	57	53.1 Å²	53.1	31%	0.305	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-37.6	177.2	-174.5	61.8	0	0	0	112.8	K179 W180 E186 K187 P213	K179-D183 PolarHBondContact O-N 3.47Å; W180-D183 PolarHBondContact O-N 2.89Å; D183-E186 PolarHBondContact O-N 3.4Å; D183-K187 WeakPolarHBondContact O-CG 3.43Å; D183-K187 PolarHBondContact O-N 2.04Å; D183-K187 WeakPolarHBondContact OD1-CE 3.49Å; D183-K187 IonicContact OD1-NZ 3.73Å; D183-K187 PolarHBondContact OD1-NZ 3.35Å; D183-K187 IonicContact OD2-NZ 2.7Å; D183-K187 PolarHBondContact OD2-NZ 2.84Å; D183-P213 HydrophobicContact CB-CG 4.24Å
184	W	94.4	Very high	93.5	Very high	52 Å²	52	48.5 Å²	48.5	20%	0.197	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-43.5	175.5	177	86.8	0	0	0	111.8	F156 L162 L165 W180 L181 V182 E186 K187 T188 T190 V192	F156-W184 HydrophobicContact CB-CZ2 4.41Å; F156-W184 HydrophobicContact CD2-CD2 4.15Å; F156-W184 HydrophobicContact CD2-CE3 4.28Å; F156-W184 HydrophobicContact CD2-CH2 4.27Å; F156-W184 HydrophobicContact CD2-CZ2 4.13Å; F156-W184 HydrophobicContact CD2-CZ3 4.34Å; F156-W184 HydrophobicContact CE2-CZ3 4.5Å; L162-W184 HydrophobicContact CD2-CZ2 4.5Å; L165-W184 HydrophobicContact CD2-CH2 3.54Å; L165-W184 HydrophobicContact CD2-CZ3 3.64Å; W180-W184 HydrophobicContact CE3-CB 4.21Å; W180-W184 HydrophobicContact CZ3-CB 4.28Å; W180-W184 HydrophobicContact CZ3-CG 4.41Å; W180-W184 VanDerWaalsContact O-CB 3.28Å; W180-W184 WeakPolarHBondContact O-CB 3.26Å; W180-W184 PolarHBondContact O-N 3.13Å; L181-W184 HydrophobicContact CD1-CE3 3.97Å; L181-W184 HydrophobicContact CD1-CZ3 4.48Å; L181-W184 PolarHBondContact O-N 3.17Å; V182-W184 PolarHBondContact O-N 3.38Å; W184-E186 PolarHBondContact O-N 3.42Å; W184-K187 PolarHBondContact O-N 3.22Å; W184-K187 VanDerWaalsContact O-N 3.13Å; W184-T188 HydrophobicContact CD2-CG2 4.12Å; W184-T188 HydrophobicContact CE3-CG2 3.95Å; W184-T188 HydrophobicContact CH2-CG2 3.78Å; W184-T188 HydrophobicContact CZ2-CG2 3.95Å; W184-T188 HydrophobicContact CZ3-CG2 3.78Å; W184-T188 WeakPolarHBondContact O-CB 3.48Å; W184-T188 WeakPolarHBondContact O-CG2 3.32Å; W184-T188 PolarHBondContact O-N 3.26Å; W184-T190 HydrophobicContact CH2-CG2 4.08Å; W184-V192 HydrophobicContact CH2-CG2 4.29Å; W184-V192 HydrophobicContact CZ3-CG2 3.95Å
185	M	93.6	Very high	93.6	Very high	15 Å²	15	48.8 Å²	48.8	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-26.7	178.2	-73.8	-178.2	72.7	0	0	112.9	L181 V182 V192 I195 I208 R209	L181-M185 HydrophobicContact CD1-CG 4.26Å; L181-M185 HydrophobicContact CD1-SD 4.45Å; L181-M185 HydrophobicContact CG-CG 4.38Å; L181-M185 HydrophobicContact CG-SD 4.14Å; L181-M185 WeakPolarHBondContact O-CB 3.35Å; L181-M185 WeakPolarHBondContact O-CG 3.43Å; L181-M185 PolarHBondContact O-N 3.12Å; V182-M185 PolarHBondContact O-N 3.21Å; M185-V192 HydrophobicContact CE-CB 3.99Å; M185-V192 HydrophobicContact CE-CG1 3.82Å; M185-V192 HydrophobicContact CE-CG2 4.47Å; M185-I195 HydrophobicContact CE-CD1 4.49Å; M185-I195 HydrophobicContact SD-CD1 4.18Å; M185-I208 HydrophobicContact SD-CG2 4.07Å; M185-R209 HydrophobicContact CE-CB 4.09Å; M185-R209 HydrophobicContact CE-CG 4.5Å
186	E	91.3	Very high	93.9	Very high	141 Å²	141	53.1 Å²	53.1	66%	0.659	27%	0.266	S	S	*	.	H	α-helix	trans	-72.1	-31.7	174.4	-170.1	177.8	178	0	0	112.2	V182 D183 W184	V182-E186 PolarHBondContact O-N 3.33Å; V182-E186 VanDerWaalsContact O-N 3.12Å; D183-E186 PolarHBondContact O-N 3.4Å; W184-E186 PolarHBondContact O-N 3.42Å
187	K	92	Very high	94.2	Very high	143 Å²	143	52.5 Å²	52.5	62%	0.622	26%	0.262	S	S	*	.	H	α-helix	trans	-100.5	-23.6	-172.3	-66.5	169.7	-173.6	165	0	114.3	D183 W184	D183-K187 WeakPolarHBondContact O-CG 3.43Å; D183-K187 PolarHBondContact O-N 2.04Å; D183-K187 WeakPolarHBondContact OD1-CE 3.49Å; D183-K187 IonicContact OD1-NZ 3.73Å; D183-K187 PolarHBondContact OD1-NZ 3.35Å; D183-K187 IonicContact OD2-NZ 2.7Å; D183-K187 PolarHBondContact OD2-NZ 2.84Å; W184-K187 PolarHBondContact O-N 3.22Å; W184-K187 VanDerWaalsContact O-N 3.13Å
188	T	92.4	Very high	94.5	Very high	36 Å²	36	50.5 Å²	50.5	22%	0.221	26%	0.261	C	S	.	.			trans	-79.6	150.1	-174.2	-168.3	0	0	0	0	112.8	W184 T190	W184-T188 HydrophobicContact CD2-CG2 4.12Å; W184-T188 HydrophobicContact CE3-CG2 3.95Å; W184-T188 HydrophobicContact CH2-CG2 3.78Å; W184-T188 HydrophobicContact CZ2-CG2 3.95Å; W184-T188 HydrophobicContact CZ3-CG2 3.78Å; W184-T188 WeakPolarHBondContact O-CB 3.48Å; W184-T188 WeakPolarHBondContact O-CG2 3.32Å; W184-T188 PolarHBondContact O-N 3.26Å; T188-T190 WeakPolarHBondContact OG1-CB 3Å; T188-T190 PolarHBondContact OG1-N 2.02Å; T188-T190 VanDerWaalsContact OG1-N 3.11Å; T188-T190 PolarHBondContact OG1-OG1 2.9Å
189	N	93.3	Very high	94.5	Very high	170 Å²	170	52.1 Å²	52.1	91%	0.909	27%	0.273	S	S	*	.			trans	-91.4	-1.8	167.9	-68.6	-33	0	0	0	112.6
190	T	95.6	Very high	94.5	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.092	27%	0.273	C	S	.	.	S	Bend	trans	-63.7	132.5	177.4	-52.3	0	0	0	0	110.8	L162 T163 L165 W184 T188 V192	L162-T190 HydrophobicContact CD2-CG2 3.96Å; L162-T190 HydrophobicContact CG-CG2 3.91Å; L162-T190 PolarHBondContact O-OG1 3.19Å; T163-T190 CarbonylContact O-C 3.49Å; T163-T190 WeakPolarHBondContact O-CA 2.97Å; L165-T190 HydrophobicContact CB-CG2 3.74Å; W184-T190 HydrophobicContact CH2-CG2 4.08Å; T188-T190 WeakPolarHBondContact OG1-CB 3Å; T188-T190 PolarHBondContact OG1-N 2.02Å; T188-T190 VanDerWaalsContact OG1-N 3.11Å; T188-T190 PolarHBondContact OG1-OG1 2.9Å; T190-V192 HydrophobicContact CG2-CG2 4.48Å; T190-V192 PolarHBondContact O-N 2.82Å
191	S	96.5	Very high	94.2	Very high	67 Å²	67	58.1 Å²	58.1	47%	0.469	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-70	117	171.6	-179	0	0	0	0	110.1	T163 D164 L165	T163-S191 WeakPolarHBondContact O-CB 3.27Å; T163-S191 PolarHBondContact O-N 3.2Å; D164-S191 WeakPolarHBondContact OD1-CB 3.24Å; L165-S191 PolarHBondContact N-O 2.95Å
192	V	96.6	Very high	93.8	Very high	10 Å²	10	64.4 Å²	64.4	6%	0.061	33%	0.333	C	S	.	.			trans	-122.7	118.5	176.8	-169.4	0	0	0	0	109.1	L165 W184 M185 T190	L165-V192 HydrophobicContact CB-CG2 4.25Å; L165-V192 HydrophobicContact CD2-CG2 4.39Å; W184-V192 HydrophobicContact CH2-CG2 4.29Å; W184-V192 HydrophobicContact CZ3-CG2 3.95Å; M185-V192 HydrophobicContact CE-CB 3.99Å; M185-V192 HydrophobicContact CE-CG1 3.82Å; M185-V192 HydrophobicContact CE-CG2 4.47Å; T190-V192 HydrophobicContact CG2-CG2 4.48Å; T190-V192 PolarHBondContact O-N 2.82Å
193	P	96.1	Very high	93.8	Very high	42 Å²	42	65.8 Å²	65.8	27%	0.273	34%	0.339	S	S	.	.			trans	-58.5	165.1	172.9	-24.6	35	0	0	0	112.9	L165 R168 I195	L165-P193 WeakPolarHBondContact O-CD 3.31Å; R168-P193 HydrophobicContact CG-CB 3.9Å; P193-I195 PolarHBondContact O-N 2.74Å
194	A	96.2	Very high	93.9	Very high	32 Å²	32	68.8 Å²	68.8	26%	0.264	35%	0.351	S	S	.	.			trans	-64.4	120.8	178.1	0	0	0	0	0	111.4	Y196	A194-Y196 HydrophobicContact CB-CE2 4.18Å
195	I	96.8	Very high	93.9	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.026	37%	0.368	C	S	.	.			trans	-121.1	150.6	174.2	56.1	172.3	0	0	0	110	L167 R168 F172 L181 M185 P193 R207 I208	L167-I195 HydrophobicContact CB-CD1 4.23Å; L167-I195 HydrophobicContact CB-CG2 3.88Å; L167-I195 HydrophobicContact CD1-CD1 4.09Å; R168-I195 HydrophobicContact CG-CG2 4.31Å; F172-I195 HydrophobicContact CD2-CD1 4.39Å; F172-I195 HydrophobicContact CE2-CB 4.43Å; F172-I195 HydrophobicContact CE2-CD1 4.01Å; L181-I195 HydrophobicContact CD2-CD1 4.42Å; M185-I195 HydrophobicContact CE-CD1 4.49Å; M185-I195 HydrophobicContact SD-CD1 4.18Å; P193-I195 PolarHBondContact O-N 2.74Å; I195-R207 WeakPolarHBondContact O-CA 3.3Å; I195-I208 HydrophobicContact CB-CD1 4.41Å; I195-I208 HydrophobicContact CD1-CB 4.35Å; I195-I208 HydrophobicContact CD1-CD1 3.75Å; I195-I208 HydrophobicContact CG1-CB 4.09Å; I195-I208 HydrophobicContact CG1-CD1 3.89Å; I195-I208 HydrophobicContact CG1-CG1 4.33Å; I195-I208 PolarHBondContact O-N 3.3Å
196	Y	96.9	Very high	94	Very high	129 Å²	129	75 Å²	75	51%	0.506	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-129.1	151.4	-168.1	-55.5	-90.7	0	0	0	111.4	A194 R206 R207	A194-Y196 HydrophobicContact CB-CE2 4.18Å; Y196-R206 CarbonylContact C-O 3.59Å; Y196-R206 VanDerWaalsContact CA-O 3.3Å; Y196-R206 WeakPolarHBondContact CA-O 3.41Å; Y196-R207 HydrophobicContact CD1-CB 4.18Å; Y196-R207 HydrophobicContact CE1-CB 4.16Å; Y196-R207 HydrophobicContact CE1-CG 4.45Å
197	C	97.4	Very high	94.3	Very high	4 Å²	4	72.1 Å²	72.1	3%	0.027	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.7	172.8	-60.1	0	0	0	0	110.8	C174 F203 G205 R206	C174-C197 HydrophobicContact CB-CB 3.72Å; C174-C197 WeakPolarHBondContact CB-SG 3.33Å; C174-C197 VanDerWaalsContact SG-CA 3.53Å; C174-C197 WeakPolarHBondContact SG-CB 3.45Å; C174-C197 CovalentContact SG-SG 2.02Å; C174-C197 PolarHBondContact SG-SG 3.14Å; C197-F203 HydrophobicContact CB-CB 4.11Å; C197-F203 WeakPolarHBondContact CB-O 3.23Å; C197-G205 PolarHBondContact O-N 3.35Å; C197-R206 PolarHBondContact N-O 2.75Å
198	A	96.8	Very high	94.4	Very high	41 Å²	41	65.3 Å²	65.3	34%	0.339	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-27.9	171.3	0	0	0	0	0	112.3	F172 Q204	F172-A198 PolarHBondContact O-N 2.96Å; A198-Q204 WeakPolarHBondContact O-CG 3.39Å
199	S	91.6	Very high	94.4	Very high	39 Å²	39	70.6 Å²	70.6	27%	0.273	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	169.6	179.3	61.2	0	0	0	0	109.7	F172 R173 C174	F172-S199 PolarHBondContact O-N 3.18Å; R173-S199 CarbonylContact C-O 3.6Å; R173-S199 WeakPolarHBondContact CA-OG 3.25Å; R173-S199 WeakPolarHBondContact CB-OG 3.48Å; R173-S199 WeakPolarHBondContact CG-OG 3.23Å; C174-S199 PolarHBondContact N-O 3.34Å
200	P	92.4	Very high	94.5	Very high	38 Å²	38	67.7 Å²	67.7	25%	0.247	34%	0.344	C	S	.	.	S	Bend	cis	-66.6	176.5	-14.4	33.9	-37.6	0	0	0	111.9	C174 E202 F203 Q204	C174-P200 VanDerWaalsContact O-CD 3.25Å; C174-P200 WeakPolarHBondContact O-CD 3.32Å; P200-E202 VanDerWaalsContact CB-OE2 3.29Å; P200-E202 WeakPolarHBondContact CB-OE2 3.17Å; P200-E202 WeakPolarHBondContact CG-OE2 3.47Å; P200-E202 PolarHBondContact O-N 3.25Å; P200-E202 VanDerWaalsContact O-N 3.16Å; P200-F203 HydrophobicContact CG-CD2 3.94Å; P200-F203 PolarHBondContact O-N 2.81Å; P200-Q204 PolarHBondContact O-N 3.17Å
201	F	86.7	Confident	94.3	Very high	178 Å²	178	67.5 Å²	67.5	78%	0.781	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.3	-175.2	179.1	-99.9	0	0	0	113	F203 Q204	F201-F203 PolarHBondContact O-N 3.33Å; F201-Q204 PolarHBondContact O-N 3.45Å
202	E	87.6	Confident	94	Very high	133 Å²	133	67.3 Å²	67.3	62%	0.621	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.2	179.7	-52.4	93.3	178	0	0	113.4	P200	P200-E202 VanDerWaalsContact CB-OE2 3.29Å; P200-E202 WeakPolarHBondContact CB-OE2 3.17Å; P200-E202 WeakPolarHBondContact CG-OE2 3.47Å; P200-E202 PolarHBondContact O-N 3.25Å; P200-E202 VanDerWaalsContact O-N 3.16Å
203	F	93.1	Very high	93.5	Very high	35 Å²	35	68.1 Å²	68.1	15%	0.154	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-6.4	-178.1	-65.3	-64.3	0	0	0	113.6	C174 C197 P200 F201 G205 R206 L211 D215	C174-F203 HydrophobicContact CB-CB 4Å; C174-F203 HydrophobicContact CB-CD2 4.46Å; C174-F203 HydrophobicContact CB-CG 4.38Å; C174-F203 WeakPolarHBondContact O-CD2 3.45Å; C197-F203 HydrophobicContact CB-CB 4.11Å; C197-F203 WeakPolarHBondContact CB-O 3.23Å; P200-F203 HydrophobicContact CG-CD2 3.94Å; P200-F203 PolarHBondContact O-N 2.81Å; F201-F203 PolarHBondContact O-N 3.33Å; F203-G205 PolarHBondContact O-N 2.89Å; F203-R206 VanDerWaalsContact O-CB 3.23Å; F203-R206 WeakPolarHBondContact O-CB 3.45Å; F203-R206 WeakPolarHBondContact O-CG 3.37Å; F203-R206 PolarHBondContact O-N 3.45Å; F203-L211 HydrophobicContact CD1-CD1 4.3Å; F203-L211 HydrophobicContact CD1-CD2 3.68Å; F203-L211 HydrophobicContact CE1-CD2 3.86Å; F203-D215 HydrophobicContact CE1-CB 4.29Å; F203-D215 HydrophobicContact CZ-CB 4.27Å
204	Q	94.9	Very high	92.8	Very high	120 Å²	120	77.2 Å²	77.2	56%	0.561	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	128.5	-176	-174.4	173.3	2	0	0	111.9	A198 P200 F201 R206	A198-Q204 WeakPolarHBondContact O-CG 3.39Å; P200-Q204 PolarHBondContact O-N 3.17Å; F201-Q204 PolarHBondContact O-N 3.45Å; Q204-R206 PolarHBondContact O-N 2.83Å
205	G	95	Very high	92.3	Very high	54 Å²	54	79.3 Å²	79.3	56%	0.557	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-6.9	-178	0	0	0	0	0	115.1	C197 F203	C197-G205 PolarHBondContact O-N 3.35Å; F203-G205 PolarHBondContact O-N 2.89Å
206	R	95.9	Very high	91.7	Very high	144 Å²	144	79.6 Å²	79.6	54%	0.543	38%	0.381	S	S	.	.			trans	-72.4	144.2	173	-63.2	-126.1	-145.5	-161.4	10.1	110.9	Y196 C197 F203 Q204 L211	Y196-R206 CarbonylContact C-O 3.59Å; Y196-R206 VanDerWaalsContact CA-O 3.3Å; Y196-R206 WeakPolarHBondContact CA-O 3.41Å; C197-R206 PolarHBondContact N-O 2.75Å; F203-R206 VanDerWaalsContact O-CB 3.23Å; F203-R206 WeakPolarHBondContact O-CB 3.45Å; F203-R206 WeakPolarHBondContact O-CG 3.37Å; F203-R206 PolarHBondContact O-N 3.45Å; Q204-R206 PolarHBondContact O-N 2.83Å; R206-L211 HydrophobicContact CB-CD2 4.43Å
207	R	96.3	Very high	90.9	Very high	80 Å²	80	80.1 Å²	80.1	30%	0.302	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-74.4	132	172.9	-169.5	-175.4	-176.3	-176.1	3.2	109.6	I195 Y196 R209 D210	I195-R207 WeakPolarHBondContact O-CA 3.3Å; Y196-R207 HydrophobicContact CD1-CB 4.18Å; Y196-R207 HydrophobicContact CE1-CB 4.16Å; Y196-R207 HydrophobicContact CE1-CG 4.45Å; R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 HydrophobicContact CG-CB 4.39Å; R207-R209 PolarHBondContact O-N 3.14Å; R207-D210 HydrophobicContact CB-CB 4.4Å; R207-D210 WeakPolarHBondContact CB-OD2 3.46Å; R207-D210 PolarHBondContact O-N 3.18Å
208	I	95.4	Very high	90.1	Very high	0 Å²	0	80 Å²	80	0%	0	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-62.2	-35.1	-176.7	-67.1	172.7	0	0	0	111.7	F172 I178 V182 M185 I195 D210 L211	F172-I208 HydrophobicContact CB-CD1 3.93Å; F172-I208 HydrophobicContact CD2-CD1 3.68Å; F172-I208 HydrophobicContact CG-CD1 4Å; I178-I208 HydrophobicContact CD1-CD1 3.78Å; V182-I208 HydrophobicContact CG2-CG2 3.72Å; M185-I208 HydrophobicContact SD-CG2 4.07Å; I195-I208 HydrophobicContact CB-CD1 4.41Å; I195-I208 HydrophobicContact CD1-CB 4.35Å; I195-I208 HydrophobicContact CD1-CD1 3.75Å; I195-I208 HydrophobicContact CG1-CB 4.09Å; I195-I208 HydrophobicContact CG1-CD1 3.89Å; I195-I208 HydrophobicContact CG1-CG1 4.33Å; I195-I208 PolarHBondContact O-N 3.3Å; I208-D210 PolarHBondContact O-N 2.98Å; I208-L211 WeakPolarHBondContact O-CB 3.44Å; I208-L211 PolarHBondContact O-N 3.33Å; I208-L211 VanDerWaalsContact O-N 3.15Å
209	R	92.4	Very high	89.3	Confident	146 Å²	146	82.3 Å²	82.3	55%	0.551	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19	177.8	-168.8	170.5	-179.4	162.1	2	113.9	M185 R207 L211	M185-R209 HydrophobicContact CE-CB 4.09Å; M185-R209 HydrophobicContact CE-CG 4.5Å; R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 HydrophobicContact CG-CB 4.39Å; R207-R209 PolarHBondContact O-N 3.14Å; R209-L211 VanDerWaalsContact C-N 3.34Å
210	D	93.6	Very high	89	Confident	109 Å²	109	82.5 Å²	82.5	58%	0.583	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-91.3	-5	179.1	-56.5	-11.9	0	0	0	111.5	R207 I208	R207-D210 HydrophobicContact CB-CB 4.4Å; R207-D210 WeakPolarHBondContact CB-OD2 3.46Å; R207-D210 PolarHBondContact O-N 3.18Å; I208-D210 PolarHBondContact O-N 2.98Å
211	L	92.9	Very high	88.8	Confident	12 Å²	12	81 Å²	81	6%	0.063	39%	0.388	C	S	.	.			trans	-85.9	152.8	172.6	-55.7	179	0	0	0	109.9	C174 V182 F203 R206 I208 R209 F216	C174-L211 HydrophobicContact CB-CD1 4.32Å; V182-L211 HydrophobicContact CG1-CB 4.4Å; V182-L211 WeakPolarHBondContact CG1-O 3.42Å; V182-L211 HydrophobicContact CG2-CB 4.38Å; F203-L211 HydrophobicContact CD1-CD1 4.3Å; F203-L211 HydrophobicContact CD1-CD2 3.68Å; F203-L211 HydrophobicContact CE1-CD2 3.86Å; R206-L211 HydrophobicContact CB-CD2 4.43Å; I208-L211 WeakPolarHBondContact O-CB 3.44Å; I208-L211 PolarHBondContact O-N 3.33Å; I208-L211 VanDerWaalsContact O-N 3.15Å; R209-L211 VanDerWaalsContact C-N 3.34Å; L211-F216 HydrophobicContact CB-CE2 4.26Å; L211-F216 HydrophobicContact CB-CZ 4.28Å; L211-F216 HydrophobicContact CD1-CE1 4.49Å; L211-F216 HydrophobicContact CD1-CZ 3.73Å
212	T	90.5	Very high	89.1	Confident	62 Å²	62	75.6 Å²	75.6	38%	0.38	37%	0.367	S	S	.	.			trans	-116.4	155.1	175.7	69.5	0	0	0	0	109.9	R214 D215 F216	T212-R214 PolarHBondContact O-N 3.42Å; T212-D215 WeakPolarHBondContact CA-OD2 2.9Å; T212-D215 WeakPolarHBondContact CB-OD2 3.35Å; T212-D215 PolarHBondContact N-OD2 3.4Å; T212-D215 WeakPolarHBondContact O-CB 3.37Å; T212-D215 PolarHBondContact O-N 3.34Å; T212-D215 VanDerWaalsContact OG1-CG 3.29Å; T212-D215 PolarHBondContact OG1-OD2 2.84Å; T212-F216 WeakPolarHBondContact O-CD2 3.46Å
213	P	84.6	Confident	89.5	Confident	28 Å²	28	69.4 Å²	69.4	18%	0.182	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.1	174.7	-27	35.9	0	0	0	114.4	K179 V182 D183	K179-P213 VanDerWaalsContact CE-O 3.31Å; K179-P213 WeakPolarHBondContact CE-O 3.36Å; K179-P213 HydrophobicContact CG-CB 4.43Å; V182-P213 HydrophobicContact CG1-CG 4.45Å; D183-P213 HydrophobicContact CB-CG 4.24Å
214	R	82.2	Confident	89.7	Confident	232 Å²	232	69.2 Å²	69.2	88%	0.875	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-20.9	177.7	-63.2	-178	-177.8	-177.7	1.5	113.2	T212 F216	T212-R214 PolarHBondContact O-N 3.42Å; R214-F216 PolarHBondContact O-N 3.41Å
215	D	85	Confident	89.8	Confident	77 Å²	77	67.5 Å²	67.5	41%	0.412	34%	0.341	S	S	.	.	S	Bend	trans	-69.6	-14.2	176.1	-61.6	-47.5	0	0	0	111.9	F203 T212	F203-D215 HydrophobicContact CE1-CB 4.29Å; F203-D215 HydrophobicContact CZ-CB 4.27Å; T212-D215 WeakPolarHBondContact CA-OD2 2.9Å; T212-D215 WeakPolarHBondContact CB-OD2 3.35Å; T212-D215 PolarHBondContact N-OD2 3.4Å; T212-D215 WeakPolarHBondContact O-CB 3.37Å; T212-D215 PolarHBondContact O-N 3.34Å; T212-D215 VanDerWaalsContact OG1-CG 3.29Å; T212-D215 PolarHBondContact OG1-OD2 2.84Å
216	F	84.9	Confident	89.9	Confident	11 Å²	11	67.7 Å²	67.7	5%	0.048	33%	0.325	C	S	.	.			trans	-106.8	106.5	177.9	-50.7	-83.9	0	0	0	111.6	C174 D175 I178 K179 V182 L211 T212 R214 C218	C174-F216 HydrophobicContact CB-CE1 4.38Å; D175-F216 WeakPolarHBondContact O-CD1 3.43Å; I178-F216 HydrophobicContact CG2-CE1 3.86Å; I178-F216 HydrophobicContact CG2-CZ 3.77Å; K179-F216 HydrophobicContact CB-CD2 4.21Å; K179-F216 HydrophobicContact CB-CG 4.35Å; K179-F216 HydrophobicContact CD-CB 4.21Å; K179-F216 HydrophobicContact CG-CB 4.45Å; K179-F216 HydrophobicContact CG-CD2 4.14Å; V182-F216 HydrophobicContact CB-CE2 4.34Å; V182-F216 HydrophobicContact CG1-CE2 4.44Å; V182-F216 HydrophobicContact CG2-CE2 3.86Å; V182-F216 HydrophobicContact CG2-CZ 4.04Å; L211-F216 HydrophobicContact CB-CE2 4.26Å; L211-F216 HydrophobicContact CB-CZ 4.28Å; L211-F216 HydrophobicContact CD1-CE1 4.49Å; L211-F216 HydrophobicContact CD1-CZ 3.73Å; T212-F216 WeakPolarHBondContact O-CD2 3.46Å; R214-F216 PolarHBondContact O-N 3.41Å; F216-C218 VanDerWaalsContact CB-SG 3.57Å; F216-C218 PolarHBondContact O-N 2.81Å
217	N	78.9	Confident	90	Very high	139 Å²	139	62.1 Å²	62.1	74%	0.743	31%	0.305	S	S	*	.			trans	-83.4	92.7	169.5	-172.3	5.3	0	0	0	110.7
218	C	81.5	Confident	90.1	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.02	31%	0.313	C	S	.	.			trans	-98	-5.4	-171.9	-58.7	0	0	0	0	115.6	C176 F216 T220 L546	C176-C218 WeakPolarHBondContact CA-SG 3.49Å; C176-C218 HydrophobicContact CB-CB 3.69Å; C176-C218 WeakPolarHBondContact CB-SG 2.92Å; C176-C218 WeakPolarHBondContact SG-CA 3.13Å; C176-C218 WeakPolarHBondContact SG-CB 3.39Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 2.81Å; F216-C218 VanDerWaalsContact CB-SG 3.57Å; F216-C218 PolarHBondContact O-N 2.81Å; C218-T220 PolarHBondContact O-N 3.33Å; C218-L546 HydrophobicContact CB-CB 4.35Å; C218-L546 WeakPolarHBondContact O-CB 3.44Å; C218-L546 PolarHBondContact O-N 3.01Å
219	I	81	Confident	90.2	Very high	88 Å²	88	62.3 Å²	62.3	45%	0.451	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	101.5	177.2	-58.5	178.6	0	0	0	107.4	R478 V543 V544	I219-R478 PolarHBondContact O-NH2 2.8Å; I219-V543 HydrophobicContact CG2-CG1 3.36Å; I219-V544 CarbonylContact C-O 3.48Å; I219-V544 WeakPolarHBondContact CA-O 3.06Å
220	T	83.9	Confident	90.4	Very high	44 Å²	44	60.7 Å²	60.7	27%	0.27	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-173.7	171	-166.1	0	0	0	0	110.3	C218 R478 V544 L546	C218-T220 PolarHBondContact O-N 3.33Å; T220-R478 PolarHBondContact O-NH1 2.97Å; T220-V544 HydrophobicContact CG2-CB 3.91Å; T220-V544 HydrophobicContact CG2-CG1 4.43Å; T220-V544 PolarHBondContact N-O 3.35Å; T220-V544 PolarHBondContact O-N 3.29Å; T220-L546 HydrophobicContact CG2-CD1 3.96Å; T220-L546 HydrophobicContact CG2-CD2 4.08Å; T220-L546 HydrophobicContact CG2-CG 3.91Å
221	A	88.8	Confident	90.5	Very high	6 Å²	6	56.3 Å²	56.3	5%	0.05	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	170.7	165.5	0	0	0	0	0	110.2	R478 F505 H541 L542	A221-R478 VanDerWaalsContact N-NH1 3.17Å; A221-F505 HydrophobicContact CB-CZ 3.98Å; A221-F505 WeakPolarHBondContact O-CZ 3.41Å; A221-H541 WeakPolarHBondContact CB-NE2 3.21Å; A221-L542 CarbonylContact C-O 3.57Å; A221-L542 WeakPolarHBondContact CA-O 3.3Å; A221-L542 WeakPolarHBondContact CB-O 3.42Å
222	D	92.8	Very high	90.7	Very high	64 Å²	64	59.2 Å²	59.2	34%	0.342	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.9	175.2	-165.5	22.8	0	0	0	108.9	Q506 H541 L542 V544	D222-Q506 PolarHBondContact OD1-NE2 3.26Å; D222-H541 WeakPolarHBondContact O-CA 3.25Å; D222-L542 PolarHBondContact N-O 3.37Å; D222-L542 PolarHBondContact O-N 3.33Å; D222-V544 HydrophobicContact CB-CG2 3.95Å
223	F	96.3	Very high	91	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.013	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	99.9	169.6	-66.7	-93	0	0	0	108.4	F473 Y480 V492 F505 Q506 L508 L527 Q540 H541	F223-F473 AromaticContact CE1-CE2 3.66Å; F223-F473 HydrophobicContact CE1-CE2 3.66Å; F223-F473 AromaticContact CE1-CZ 3.84Å; F223-F473 HydrophobicContact CE1-CZ 3.84Å; F223-F473 HydrophobicContact CE2-CZ 4.37Å; F223-F473 AromaticContact CZ-CE2 3.47Å; F223-F473 HydrophobicContact CZ-CE2 3.47Å; F223-F473 VanDerWaalsContact CZ-CE2 3.47Å; F223-F473 AromaticContact CZ-CZ 3.52Å; F223-F473 HydrophobicContact CZ-CZ 3.52Å; F223-Y480 HydrophobicContact CE2-CD1 4.07Å; F223-Y480 AromaticContact CE2-CE1 3.94Å; F223-Y480 HydrophobicContact CE2-CE1 3.94Å; F223-Y480 HydrophobicContact CE2-CG 4.46Å; F223-Y480 HydrophobicContact CZ-CD1 4.3Å; F223-Y480 HydrophobicContact CZ-CD2 4.23Å; F223-Y480 HydrophobicContact CZ-CE1 4.35Å; F223-Y480 HydrophobicContact CZ-CE2 4.29Å; F223-Y480 HydrophobicContact CZ-CG 4.23Å; F223-V492 HydrophobicContact CD2-CG1 4.26Å; F223-V492 HydrophobicContact CD2-CG2 4.47Å; F223-V492 HydrophobicContact CE2-CG1 3.83Å; F223-F505 HydrophobicContact CD2-CE1 4.08Å; F223-F505 HydrophobicContact CE2-CD1 4.34Å; F223-F505 AromaticContact CE2-CE1 3.95Å; F223-F505 HydrophobicContact CE2-CE1 3.95Å; F223-Q506 VanDerWaalsContact CB-OE1 3.24Å; F223-Q506 VanDerWaalsContact CD2-OE1 3.3Å; F223-Q506 PolarHBondContact O-NE2 3.49Å; F223-L508 HydrophobicContact CB-CD2 4.16Å; F223-L527 HydrophobicContact CD1-CB 4.39Å; F223-L527 HydrophobicContact CD1-CD2 4.38Å; F223-L527 HydrophobicContact CE1-CB 4.44Å; F223-L527 HydrophobicContact CE1-CD2 4.41Å; F223-Q540 WeakPolarHBondContact CA-O 3.13Å; F223-H541 HydrophobicContact CD1-CB 4.3Å; F223-H541 HydrophobicContact CE1-CB 4.04Å; F223-H541 AromaticContact CE1-CD2 3.76Å; F223-H541 AromaticContact CE2-CD2 3.95Å; F223-H541 AromaticContact CZ-CD2 3.5Å
224	A	96.2	Very high	91.7	Very high	31 Å²	31	56.2 Å²	56.2	26%	0.256	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	143.7	179.4	0	0	0	0	0	110.3	Y226 Y539 Q540 L542	A224-Y226 PolarHBondContact O-N 3.07Å; A224-Y226 VanDerWaalsContact O-N 3.16Å; A224-Y539 CarbonylContact O-C 3.48Å; A224-Y539 WeakPolarHBondContact O-CA 3.48Å; A224-Q540 PolarHBondContact N-O 2.59Å; A224-Q540 PolarHBondContact O-N 3.45Å; A224-L542 HydrophobicContact CB-CD1 3.7Å
225	V	97.5	Very high	92.4	Very high	85 Å²	85	45.2 Å²	45.2	52%	0.515	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	122.5	174.3	178.1	0	0	0	0	108.8	Y539	V225-Y539 HydrophobicContact CG2-CD1 3.96Å; V225-Y539 HydrophobicContact CG2-CE1 3.53Å
226	Y	97.5	Very high	93.1	Very high	57 Å²	57	41.7 Å²	41.7	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-56.7	-178.4	-171.3	-113	0	0	0	111.3	A224 W262 M267 K524 I526 A538 Q540	A224-Y226 PolarHBondContact O-N 3.07Å; A224-Y226 VanDerWaalsContact O-N 3.16Å; Y226-W262 HydrophobicContact CE1-CH2 4.23Å; Y226-W262 HydrophobicContact CE1-CZ3 4.21Å; Y226-M267 WeakPolarHBondContact CE1-O 3.32Å; Y226-M267 PolarHBondContact OH-O 2.92Å; Y226-K524 WeakPolarHBondContact OH-CE 3.48Å; Y226-K524 PolarHBondContact OH-NZ 2.53Å; Y226-K524 VanDerWaalsContact OH-NZ 3.14Å; Y226-I526 HydrophobicContact CD1-CD1 4.01Å; Y226-I526 HydrophobicContact CE1-CD1 3.9Å; Y226-A538 PolarHBondContact N-O 2.85Å; Y226-Q540 HydrophobicContact CD2-CB 3.75Å; Y226-Q540 HydrophobicContact CD2-CG 4.35Å; Y226-Q540 VanDerWaalsContact CD2-OE1 3.25Å; Y226-Q540 VanDerWaalsContact CE2-OE1 3.31Å; Y226-Q540 HydrophobicContact CG-CB 4Å
227	E	97.8	Very high	93.7	Very high	27 Å²	27	42.5 Å²	42.5	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.9	179.5	-71.9	178.8	-103.1	0	0	110.2	F229 I268 F269 A538	E227-F229 HydrophobicContact CB-CE2 4.45Å; E227-F229 HydrophobicContact CB-CZ 4.38Å; E227-I268 WeakPolarHBondContact OE1-CA 3.41Å; E227-F269 PolarHBondContact OE1-N 3.16Å; E227-F269 VanDerWaalsContact OE1-N 3.13Å; E227-F269 PolarHBondContact OE2-N 2.73Å; E227-F269 VanDerWaalsContact OE2-N 3.13Å; E227-A538 HydrophobicContact CB-CB 4.06Å; E227-A538 PolarHBondContact N-O 2.79Å; E227-A538 PolarHBondContact O-N 3.08Å
228	T	97.9	Very high	94.5	Very high	76 Å²	76	37.5 Å²	37.5	47%	0.466	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121	174.4	-63.8	0	0	0	0	108.9	N535 L537	T228-N535 HydrophobicContact CG2-CB 3.72Å; T228-L537 HydrophobicContact CG2-CD2 3.89Å
229	F	97.5	Very high	95.3	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116	177.1	-60.6	-77.2	0	0	0	109.3	E227 F231 F249 Y260 F269 L528 N535 T536 A538	E227-F229 HydrophobicContact CB-CE2 4.45Å; E227-F229 HydrophobicContact CB-CZ 4.38Å; F229-F231 HydrophobicContact CB-CD1 4.05Å; F229-F231 HydrophobicContact CB-CE1 3.5Å; F229-F231 VanDerWaalsContact CB-CE1 3.5Å; F229-F231 HydrophobicContact CB-CE2 4.03Å; F229-F231 HydrophobicContact CB-CZ 3.49Å; F229-F231 VanDerWaalsContact CB-CZ 3.49Å; F229-F231 HydrophobicContact CD1-CE1 4.05Å; F229-F231 HydrophobicContact CD1-CZ 4.05Å; F229-F231 HydrophobicContact CG-CE1 4.11Å; F229-F231 AromaticContact CG-CZ 3.89Å; F229-F231 HydrophobicContact CG-CZ 3.89Å; F229-F231 PolarHBondContact O-N 2.8Å; F229-F249 HydrophobicContact CD2-CZ 4.24Å; F229-F249 HydrophobicContact CE2-CZ 4.01Å; F229-F249 HydrophobicContact CZ-CZ 4.24Å; F229-Y260 HydrophobicContact CD1-CE1 4.2Å; F229-Y260 HydrophobicContact CE1-CD1 4.09Å; F229-Y260 HydrophobicContact CE1-CE1 4.07Å; F229-F269 HydrophobicContact CE1-CB 4.18Å; F229-F269 HydrophobicContact CZ-CB 4.07Å; F229-L528 HydrophobicContact CE2-CD2 4.17Å; F229-N535 WeakPolarHBondContact O-CB 3.16Å; F229-T536 HydrophobicContact CB-CG2 4.32Å; F229-T536 WeakPolarHBondContact CB-O 3.25Å; F229-T536 HydrophobicContact CD2-CG2 3.98Å; F229-T536 HydrophobicContact CG-CG2 4.5Å; F229-T536 PolarHBondContact N-O 3.43Å; F229-T536 PolarHBondContact O-N 3.47Å; F229-A538 HydrophobicContact CE2-CB 4.04Å
230	P	96.2	Very high	96	Very high	111 Å²	111	40.1 Å²	40.1	72%	0.721	22%	0.222	S	C	*	.	S	Bend	trans	-79.3	52	-171.9	34.3	-37.5	0	0	0	112.2
231	F	96.2	Very high	96.5	Very high	18 Å²	18	38.7 Å²	38.7	8%	0.079	21%	0.212	C	C	.	.	S	Bend	trans	-151.8	159.9	176.8	57.3	-105.7	0	0	0	111.2	F229 F249 Q251 Y260 T536	F229-F231 HydrophobicContact CB-CD1 4.05Å; F229-F231 HydrophobicContact CB-CE1 3.5Å; F229-F231 VanDerWaalsContact CB-CE1 3.5Å; F229-F231 HydrophobicContact CB-CE2 4.03Å; F229-F231 HydrophobicContact CB-CZ 3.49Å; F229-F231 VanDerWaalsContact CB-CZ 3.49Å; F229-F231 HydrophobicContact CD1-CE1 4.05Å; F229-F231 HydrophobicContact CD1-CZ 4.05Å; F229-F231 HydrophobicContact CG-CE1 4.11Å; F229-F231 AromaticContact CG-CZ 3.89Å; F229-F231 HydrophobicContact CG-CZ 3.89Å; F229-F231 PolarHBondContact O-N 2.8Å; F231-F249 HydrophobicContact CE2-CB 4.2Å; F231-F249 HydrophobicContact CE2-CD1 4.22Å; F231-F249 HydrophobicContact CE2-CD2 4.27Å; F231-F249 AromaticContact CE2-CG 3.99Å; F231-F249 HydrophobicContact CE2-CG 3.99Å; F231-F249 AromaticContact CZ-CD2 3.93Å; F231-F249 HydrophobicContact CZ-CD2 3.93Å; F231-F249 HydrophobicContact CZ-CE2 4.17Å; F231-F249 HydrophobicContact CZ-CG 4.13Å; F231-Q251 HydrophobicContact CD2-CG 4.08Å; F231-Q251 HydrophobicContact CE2-CG 4.38Å; F231-Q251 VanDerWaalsContact CZ-NE2 3.28Å; F231-Y260 AromaticContact CE1-CE2 3.98Å; F231-Y260 HydrophobicContact CE1-CE2 3.98Å; F231-Y260 AromaticContact CE1-CZ 3.86Å; F231-Y260 VanDerWaalsContact CE1-OH 3.25Å; F231-Y260 WeakPolarHBondContact CE1-OH 3.19Å; F231-Y260 AromaticContact CZ-CE2 3.95Å; F231-Y260 HydrophobicContact CZ-CE2 3.95Å; F231-T536 HydrophobicContact CE2-CG2 4.11Å; F231-T536 PolarHBondContact O-N 3.41Å; F231-T536 PolarHBondContact O-OG1 3.12Å
232	H	97.3	Very high	96.7	Very high	72 Å²	72	41.6 Å²	41.6	33%	0.333	23%	0.232	S	C	.	.			trans	-85.4	147.1	172	-49	157.1	0	0	0	110.6	Q251 D253 S531 G534	H232-Q251 WeakPolarHBondContact O-CG 3.38Å; H232-D253 IonicContact CG-OD2 3.24Å; H232-D253 IonicContact ND1-OD2 3.02Å; H232-D253 PolarHBondContact ND1-OD2 2.57Å; H232-D253 VanDerWaalsContact ND1-OD2 3.09Å; H232-S531 CarbonylContact C-O 3.59Å; H232-S531 VanDerWaalsContact CA-O 3.31Å; H232-S531 WeakPolarHBondContact CA-O 3.37Å; H232-G534 PolarHBondContact CD2-O 3.47Å
233	S	97.7	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.24	C	C	.	.			trans	-145.4	152	172.6	60.9	0	0	0	0	111.6	A250 A530 S531 T536	S233-A250 CarbonylContact C-O 3.37Å; S233-A250 VanDerWaalsContact CA-O 3.25Å; S233-A250 WeakPolarHBondContact CA-O 3.26Å; S233-A250 WeakPolarHBondContact CB-O 3.48Å; S233-A530 VanDerWaalsContact OG-CA 3.27Å; S233-A530 WeakPolarHBondContact OG-CA 3.38Å; S233-A530 VanDerWaalsContact OG-CB 3.26Å; S233-A530 WeakPolarHBondContact OG-CB 3.23Å; S233-S531 PolarHBondContact N-O 2.83Å; S233-S531 CarbonylContact O-C 3.5Å; S233-S531 PolarHBondContact O-N 3.47Å; S233-T536 PolarHBondContact N-OG1 2.97Å; S233-T536 WeakPolarHBondContact OG-CG2 3.14Å; S233-T536 PolarHBondContact OG-OG1 2.89Å
234	V	97.7	Very high	96.6	Very high	27 Å²	27	43.4 Å²	43.4	16%	0.164	25%	0.254	C	S	.	.	S	Bend	trans	-108.4	-21.8	179.2	-68.4	0	0	0	0	113.2	A250 P252 V281 R514 F532	V234-A250 HydrophobicContact CG2-CB 3.84Å; V234-A250 PolarHBondContact N-O 3.15Å; V234-P252 HydrophobicContact CB-CG 4.48Å; V234-P252 HydrophobicContact CG1-CG 3.68Å; V234-P252 HydrophobicContact CG2-CG 3.98Å; V234-V281 WeakPolarHBondContact CG2-O 3.2Å; V234-R514 WeakPolarHBondContact O-CB 3.4Å; V234-F532 HydrophobicContact CG1-CD2 3.53Å; V234-F532 HydrophobicContact CG1-CE2 3.97Å
235	S	98.1	Very high	96.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.014	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.6	172.7	81.1	0	0	0	0	110	F249 A250	S235-F249 WeakPolarHBondContact O-CA 3.29Å; S235-A250 PolarHBondContact O-N 3.1Å; S235-A250 VanDerWaalsContact O-N 3.15Å; S235-A250 WeakPolarHBondContact OG-CB 3.3Å
236	V	98.4	Very high	96.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	134.1	172.5	58.4	0	0	0	0	109.1	V247 A248 F249 L528 A530	V236-V247 HydrophobicContact CG2-CG1 3.58Å; V236-A248 WeakPolarHBondContact CA-O 3.43Å; V236-F249 HydrophobicContact CB-CD1 3.85Å; V236-F249 HydrophobicContact CB-CE1 3.87Å; V236-F249 HydrophobicContact CG2-CD1 3.7Å; V236-F249 HydrophobicContact CG2-CE1 3.34Å; V236-F249 HydrophobicContact CG2-CZ 4.05Å; V236-L528 HydrophobicContact CG1-CB 4.38Å; V236-L528 HydrophobicContact CG2-CB 3.81Å; V236-L528 HydrophobicContact CG2-CD1 4.04Å; V236-L528 HydrophobicContact CG2-CG 4.47Å; V236-A530 HydrophobicContact CB-CB 4.2Å; V236-A530 HydrophobicContact CG1-CB 3.96Å
237	E	97.8	Very high	96.8	Very high	28 Å²	28	37.6 Å²	37.6	13%	0.131	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	123.8	178	-73.7	-80.9	168.3	0	0	109.1	V247 A248 Y282 K284 P285	E237-V247 CarbonylContact O-C 3.52Å; E237-V247 WeakPolarHBondContact O-CA 3.31Å; E237-A248 PolarHBondContact N-O 2.52Å; E237-A248 PolarHBondContact O-N 3.49Å; E237-Y282 HydrophobicContact CG-CE1 3.74Å; E237-Y282 VanDerWaalsContact OE1-CE1 3.26Å; E237-Y282 WeakPolarHBondContact OE1-CE1 3.15Å; E237-Y282 VanDerWaalsContact OE1-CZ 3.25Å; E237-Y282 PolarHBondContact OE1-OH 2.94Å; E237-K284 HydrophobicContact CG-CD 4.31Å; E237-K284 IonicContact OE1-NZ 3.72Å; E237-K284 PolarHBondContact OE1-NZ 3.28Å; E237-K284 IonicContact OE2-NZ 3.68Å; E237-K284 PolarHBondContact OE2-NZ 3.27Å; E237-P285 HydrophobicContact CB-CG 4.38Å
238	S	97.3	Very high	96.8	Very high	33 Å²	33	36.3 Å²	36.3	23%	0.231	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146.6	166.3	66.6	0	0	0	0	110.2	F246 S517 L518	S238-F246 WeakPolarHBondContact CA-O 3.48Å; S238-S517 WeakPolarHBondContact CB-OG 3.36Å; S238-S517 PolarHBondContact N-OG 3.13Å; S238-S517 PolarHBondContact OG-OG 3.29Å; S238-L518 PolarHBondContact OG-O 2.9Å
239	Y	96.9	Very high	96.8	Very high	24 Å²	24	32.7 Å²	32.7	9%	0.094	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.7	174.5	64.9	-77.1	0	0	0	110.9	F241 F246 A248 L259 P285 L292	Y239-F241 HydrophobicContact CD2-CB 4.13Å; Y239-F241 HydrophobicContact CE2-CB 4.05Å; Y239-F246 HydrophobicContact CD1-CB 3.86Å; Y239-F246 HydrophobicContact CD2-CB 4.1Å; Y239-F246 HydrophobicContact CE1-CB 3.36Å; Y239-F246 HydrophobicContact CE1-CG 4.4Å; Y239-F246 HydrophobicContact CE2-CB 3.63Å; Y239-F246 HydrophobicContact CE2-CD2 4.04Å; Y239-F246 AromaticContact CE2-CG 3.92Å; Y239-F246 HydrophobicContact CE2-CG 3.92Å; Y239-F246 HydrophobicContact CG-CB 4.22Å; Y239-F246 AromaticContact CZ-CG 3.8Å; Y239-F246 PolarHBondContact N-O 2.78Å; Y239-F246 PolarHBondContact O-N 3.21Å; Y239-A248 HydrophobicContact CE1-CB 4.21Å; Y239-L259 VanDerWaalsContact OH-CD2 3.3Å; Y239-L259 WeakPolarHBondContact OH-CD2 3.29Å; Y239-P285 HydrophobicContact CD1-CB 3.69Å; Y239-P285 HydrophobicContact CD1-CG 3.48Å; Y239-P285 VanDerWaalsContact CD1-CG 3.48Å; Y239-P285 HydrophobicContact CD2-CB 3.9Å; Y239-P285 HydrophobicContact CD2-CG 4.38Å; Y239-P285 HydrophobicContact CE1-CB 4.02Å; Y239-P285 HydrophobicContact CE1-CG 4.16Å; Y239-P285 HydrophobicContact CE2-CB 4.21Å; Y239-P285 HydrophobicContact CG-CB 3.62Å; Y239-P285 HydrophobicContact CG-CG 3.59Å; Y239-L292 HydrophobicContact CD2-CD1 4.19Å; Y239-L292 HydrophobicContact CE2-CD1 3.78Å; Y239-L292 HydrophobicContact CE2-CD2 3.82Å; Y239-L292 HydrophobicContact CE2-CG 4.49Å
240	E	96	Very high	96.8	Very high	122 Å²	122	32.3 Å²	32.3	57%	0.57	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	137	173.1	-168.8	-175.6	150.5	0	0	109.2	D244	E240-D244 WeakPolarHBondContact CA-O 3.44Å
241	F	95.4	Very high	96.8	Very high	14 Å²	14	27.3 Å²	27.3	6%	0.061	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	129.3	175.5	177	-112.8	0	0	0	109.8	Y239 G243 D244 F246 V287 N290 L292 W308	Y239-F241 HydrophobicContact CD2-CB 4.13Å; Y239-F241 HydrophobicContact CE2-CB 4.05Å; F241-G243 PolarHBondContact O-N 2.66Å; F241-G243 VanDerWaalsContact O-N 3.15Å; F241-D244 PolarHBondContact N-O 3.31Å; F241-D244 PolarHBondContact O-N 2.67Å; F241-D244 VanDerWaalsContact O-N 3.1Å; F241-F246 HydrophobicContact CB-CD2 4.04Å; F241-F246 HydrophobicContact CB-CE2 3.94Å; F241-F246 HydrophobicContact CD1-CE2 4.31Å; F241-F246 WeakPolarHBondContact O-CE2 3.47Å; F241-V287 HydrophobicContact CD2-CG1 4.11Å; F241-V287 HydrophobicContact CD2-CG2 4.01Å; F241-V287 HydrophobicContact CE2-CG1 4.49Å; F241-N290 WeakPolarHBondContact CE2-O 3.35Å; F241-L292 HydrophobicContact CD1-CB 4.35Å; F241-L292 HydrophobicContact CD1-CD2 4.05Å; F241-L292 HydrophobicContact CD2-CB 3.84Å; F241-L292 HydrophobicContact CE1-CB 4.18Å; F241-L292 HydrophobicContact CE1-CD2 4.38Å; F241-L292 HydrophobicContact CE2-CB 3.66Å; F241-L292 HydrophobicContact CG-CB 4.19Å; F241-L292 HydrophobicContact CG-CD2 4.21Å; F241-L292 HydrophobicContact CZ-CB 3.85Å; F241-W308 AromaticContact CE1-CD1 3.96Å
242	S	92.6	Very high	96.5	Very high	67 Å²	67	27.8 Å²	27.8	47%	0.469	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	29.4	-179.5	-55.9	0	0	0	0	114.9	D244	S242-D244 VanDerWaalsContact C-N 3.31Å
243	G	91.8	Very high	96.1	Very high	50 Å²	50	29.8 Å²	29.8	52%	0.515	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-1.5	179.9	0	0	0	0	0	115.3	F241	F241-G243 PolarHBondContact O-N 2.66Å; F241-G243 VanDerWaalsContact O-N 3.15Å
244	D	95.2	Very high	95.8	Very high	56 Å²	56	32.7 Å²	32.7	30%	0.299	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	155.7	174.5	-73.5	-48.9	0	0	0	111.3	E240 F241 S242 F246 I261 H264	E240-D244 WeakPolarHBondContact CA-O 3.44Å; F241-D244 PolarHBondContact N-O 3.31Å; F241-D244 PolarHBondContact O-N 2.67Å; F241-D244 VanDerWaalsContact O-N 3.1Å; S242-D244 VanDerWaalsContact C-N 3.31Å; D244-F246 HydrophobicContact CB-CD2 4.37Å; D244-F246 HydrophobicContact CB-CE2 3.6Å; D244-F246 HydrophobicContact CB-CZ 4.06Å; D244-F246 WeakPolarHBondContact O-CD2 3.08Å; D244-I261 HydrophobicContact CB-CD1 4.19Å; D244-I261 HydrophobicContact CB-CG1 4.37Å; D244-H264 IonicContact OD1-NE2 2.74Å
245	H	97.4	Very high	95.6	Very high	41 Å²	41	32 Å²	32	19%	0.19	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.5	176.2	-66.3	-81.1	0	0	0	111.7	W262 V519 V521	H245-W262 HydrophobicContact CB-CB 4.15Å; H245-W262 PolarHBondContact O-N 2.7Å; H245-V519 HydrophobicContact CB-CG2 4.28Å; H245-V521 HydrophobicContact CB-CG2 4.41Å; H245-V521 WeakPolarHBondContact CD2-CG2 3.5Å
246	F	98.1	Very high	95.5	Very high	10 Å²	10	35.1 Å²	35.1	4%	0.044	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.9	-179.4	-64.5	-96.1	0	0	0	111.9	S238 Y239 F241 D244 Y260 I261 F272	S238-F246 WeakPolarHBondContact CA-O 3.48Å; Y239-F246 HydrophobicContact CD1-CB 3.86Å; Y239-F246 HydrophobicContact CD2-CB 4.1Å; Y239-F246 HydrophobicContact CE1-CB 3.36Å; Y239-F246 HydrophobicContact CE1-CG 4.4Å; Y239-F246 HydrophobicContact CE2-CB 3.63Å; Y239-F246 HydrophobicContact CE2-CD2 4.04Å; Y239-F246 AromaticContact CE2-CG 3.92Å; Y239-F246 HydrophobicContact CE2-CG 3.92Å; Y239-F246 HydrophobicContact CG-CB 4.22Å; Y239-F246 AromaticContact CZ-CG 3.8Å; Y239-F246 PolarHBondContact N-O 2.78Å; Y239-F246 PolarHBondContact O-N 3.21Å; F241-F246 HydrophobicContact CB-CD2 4.04Å; F241-F246 HydrophobicContact CB-CE2 3.94Å; F241-F246 HydrophobicContact CD1-CE2 4.31Å; F241-F246 WeakPolarHBondContact O-CE2 3.47Å; D244-F246 HydrophobicContact CB-CD2 4.37Å; D244-F246 HydrophobicContact CB-CE2 3.6Å; D244-F246 HydrophobicContact CB-CZ 4.06Å; D244-F246 WeakPolarHBondContact O-CD2 3.08Å; F246-Y260 CarbonylContact C-O 3.58Å; F246-Y260 WeakPolarHBondContact CA-O 3.48Å; F246-Y260 WeakPolarHBondContact CB-O 3.46Å; F246-I261 HydrophobicContact CD1-CB 3.85Å; F246-I261 HydrophobicContact CD1-CD1 4.47Å; F246-I261 HydrophobicContact CD1-CG1 3.99Å; F246-I261 HydrophobicContact CE1-CB 3.71Å; F246-I261 HydrophobicContact CE1-CD1 3.59Å; F246-I261 HydrophobicContact CE1-CG1 3.59Å; F246-I261 HydrophobicContact CE2-CD1 4.45Å; F246-I261 HydrophobicContact CE2-CG1 4.47Å; F246-I261 HydrophobicContact CZ-CB 4.47Å; F246-I261 HydrophobicContact CZ-CD1 3.56Å; F246-I261 HydrophobicContact CZ-CG1 3.85Å; F246-F272 HydrophobicContact CD1-CD1 4.21Å; F246-F272 HydrophobicContact CD1-CG 4.46Å; F246-F272 AromaticContact CE1-CD1 3.86Å; F246-F272 HydrophobicContact CE1-CD1 3.86Å; F246-F272 HydrophobicContact CE1-CD2 4.27Å; F246-F272 AromaticContact CE1-CE1 3.95Å; F246-F272 HydrophobicContact CE1-CE1 3.95Å; F246-F272 HydrophobicContact CE1-CE2 4.36Å; F246-F272 HydrophobicContact CE1-CG 4.02Å; F246-F272 HydrophobicContact CE1-CZ 4.2Å
247	V	98.4	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.4	174	-176.3	0	0	0	0	109.5	V236 E237 F249 L259 Y260 F269 L528	V236-V247 HydrophobicContact CG2-CG1 3.58Å; E237-V247 CarbonylContact O-C 3.52Å; E237-V247 WeakPolarHBondContact O-CA 3.31Å; V247-F249 HydrophobicContact CB-CE2 4.16Å; V247-F249 HydrophobicContact CB-CZ 4.47Å; V247-F249 HydrophobicContact CG1-CD2 4.08Å; V247-F249 HydrophobicContact CG1-CE1 4.03Å; V247-F249 HydrophobicContact CG1-CE2 3.48Å; V247-F249 VanDerWaalsContact CG1-CE2 3.48Å; V247-F249 HydrophobicContact CG1-CZ 3.46Å; V247-F249 VanDerWaalsContact CG1-CZ 3.46Å; V247-L259 CarbonylContact O-C 3.58Å; V247-L259 VanDerWaalsContact O-CA 3.3Å; V247-L259 WeakPolarHBondContact O-CA 3.3Å; V247-Y260 PolarHBondContact N-O 2.95Å; V247-Y260 PolarHBondContact O-N 3.35Å; V247-F269 HydrophobicContact CG2-CD1 3.88Å; V247-F269 HydrophobicContact CG2-CE1 3.51Å; V247-F269 HydrophobicContact CG2-CE2 4.48Å; V247-F269 HydrophobicContact CG2-CZ 3.86Å; V247-L528 HydrophobicContact CB-CD1 4.29Å; V247-L528 HydrophobicContact CG1-CD1 3.66Å; V247-L528 HydrophobicContact CG1-CD2 4.48Å; V247-L528 HydrophobicContact CG2-CD1 3.57Å
248	A	98.3	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.5	173.9	0	0	0	0	0	110.8	V236 E237 Y239 L259 C283 M294	V236-A248 WeakPolarHBondContact CA-O 3.43Å; E237-A248 PolarHBondContact N-O 2.52Å; E237-A248 PolarHBondContact O-N 3.49Å; Y239-A248 HydrophobicContact CE1-CB 4.21Å; A248-L259 HydrophobicContact CB-CG 4.49Å; A248-C283 HydrophobicContact CB-CB 4.38Å; A248-M294 HydrophobicContact CB-CE 4.23Å
249	F	98.4	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.3	175.2	-62.1	-81.3	0	0	0	111.3	F229 F231 S235 V236 V247 Q251 C257 T258 Y260 L528 T536	F229-F249 HydrophobicContact CD2-CZ 4.24Å; F229-F249 HydrophobicContact CE2-CZ 4.01Å; F229-F249 HydrophobicContact CZ-CZ 4.24Å; F231-F249 HydrophobicContact CE2-CB 4.2Å; F231-F249 HydrophobicContact CE2-CD1 4.22Å; F231-F249 HydrophobicContact CE2-CD2 4.27Å; F231-F249 AromaticContact CE2-CG 3.99Å; F231-F249 HydrophobicContact CE2-CG 3.99Å; F231-F249 AromaticContact CZ-CD2 3.93Å; F231-F249 HydrophobicContact CZ-CD2 3.93Å; F231-F249 HydrophobicContact CZ-CE2 4.17Å; F231-F249 HydrophobicContact CZ-CG 4.13Å; S235-F249 WeakPolarHBondContact O-CA 3.29Å; V236-F249 HydrophobicContact CB-CD1 3.85Å; V236-F249 HydrophobicContact CB-CE1 3.87Å; V236-F249 HydrophobicContact CG2-CD1 3.7Å; V236-F249 HydrophobicContact CG2-CE1 3.34Å; V236-F249 HydrophobicContact CG2-CZ 4.05Å; V247-F249 HydrophobicContact CB-CE2 4.16Å; V247-F249 HydrophobicContact CB-CZ 4.47Å; V247-F249 HydrophobicContact CG1-CD2 4.08Å; V247-F249 HydrophobicContact CG1-CE1 4.03Å; V247-F249 HydrophobicContact CG1-CE2 3.48Å; V247-F249 VanDerWaalsContact CG1-CE2 3.48Å; V247-F249 HydrophobicContact CG1-CZ 3.46Å; V247-F249 VanDerWaalsContact CG1-CZ 3.46Å; F249-Q251 HydrophobicContact CB-CG 4.28Å; F249-C257 CarbonylContact O-C 3.49Å; F249-C257 VanDerWaalsContact O-CA 3.31Å; F249-C257 WeakPolarHBondContact O-CA 3.45Å; F249-T258 PolarHBondContact N-O 3.28Å; F249-T258 PolarHBondContact O-N 3.03Å; F249-Y260 AromaticContact CD2-CD2 3.66Å; F249-Y260 HydrophobicContact CD2-CD2 3.66Å; F249-Y260 AromaticContact CD2-CE2 3.9Å; F249-Y260 HydrophobicContact CD2-CE2 3.9Å; F249-Y260 AromaticContact CE2-CD2 3.62Å; F249-Y260 HydrophobicContact CE2-CD2 3.62Å; F249-Y260 HydrophobicContact CE2-CE2 4.03Å; F249-Y260 HydrophobicContact CE2-CG 4.3Å; F249-L528 HydrophobicContact CZ-CD2 4.31Å; F249-T536 HydrophobicContact CD1-CG2 3.9Å; F249-T536 HydrophobicContact CE1-CG2 3.44Å; F249-T536 VanDerWaalsContact CE1-CG2 3.44Å; F249-T536 HydrophobicContact CZ-CG2 4.17Å
250	A	98.2	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.4	168	0	0	0	0	0	110.3	S233 V234 S235 P252 A280 C283	S233-A250 CarbonylContact C-O 3.37Å; S233-A250 VanDerWaalsContact CA-O 3.25Å; S233-A250 WeakPolarHBondContact CA-O 3.26Å; S233-A250 WeakPolarHBondContact CB-O 3.48Å; V234-A250 HydrophobicContact CG2-CB 3.84Å; V234-A250 PolarHBondContact N-O 3.15Å; S235-A250 PolarHBondContact O-N 3.1Å; S235-A250 VanDerWaalsContact O-N 3.15Å; S235-A250 WeakPolarHBondContact OG-CB 3.3Å; A250-P252 WeakPolarHBondContact O-CD 3.5Å; A250-A280 HydrophobicContact CB-CB 4.41Å; A250-C283 VanDerWaalsContact CA-SG 3.53Å; A250-C283 VanDerWaalsContact CB-SG 3.52Å
251	Q	96.6	Very high	95.6	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.033	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	84.4	-176	-56.7	-178.5	2	0	0	110.4	F231 H232 F249 D253 S254 G255 F256 T258	F231-Q251 HydrophobicContact CD2-CG 4.08Å; F231-Q251 HydrophobicContact CE2-CG 4.38Å; F231-Q251 VanDerWaalsContact CZ-NE2 3.28Å; H232-Q251 WeakPolarHBondContact O-CG 3.38Å; F249-Q251 HydrophobicContact CB-CG 4.28Å; Q251-D253 VanDerWaalsContact C-N 3.34Å; Q251-D253 PolarHBondContact O-N 2.89Å; Q251-S254 PolarHBondContact O-N 2.86Å; Q251-G255 PolarHBondContact O-N 2.82Å; Q251-F256 WeakPolarHBondContact CB-O 3.2Å; Q251-F256 PolarHBondContact N-O 3.02Å; Q251-F256 PolarHBondContact O-N 3.11Å; Q251-T258 PolarHBondContact NE2-OG1 2.74Å; Q251-T258 PolarHBondContact OE1-OG1 3.48Å
252	P	89.4	Confident	95.7	Very high	28 Å²	28	27.4 Å²	27.4	18%	0.182	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-39.3	-172.4	20.6	-31.9	0	0	0	112.9	V234 A250 S254 G255	V234-P252 HydrophobicContact CB-CG 4.48Å; V234-P252 HydrophobicContact CG1-CG 3.68Å; V234-P252 HydrophobicContact CG2-CG 3.98Å; A250-P252 WeakPolarHBondContact O-CD 3.5Å; P252-S254 VanDerWaalsContact C-N 3.34Å; P252-S254 PolarHBondContact O-N 2.83Å; P252-G255 PolarHBondContact O-N 2.97Å
253	D	89.1	Confident	96	Very high	113 Å²	113	25.5 Å²	25.5	60%	0.604	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-35.6	-179.9	-64.2	-17.7	0	0	0	112.2	H232 Q251	H232-D253 IonicContact CG-OD2 3.24Å; H232-D253 IonicContact ND1-OD2 3.02Å; H232-D253 PolarHBondContact ND1-OD2 2.57Å; H232-D253 VanDerWaalsContact ND1-OD2 3.09Å; Q251-D253 VanDerWaalsContact C-N 3.34Å; Q251-D253 PolarHBondContact O-N 2.89Å
254	S	90.7	Very high	96.2	Very high	62 Å²	62	26.9 Å²	26.9	43%	0.434	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-18.5	178.7	-59.7	0	0	0	0	112.6	Q251 P252 F256	Q251-S254 PolarHBondContact O-N 2.86Å; P252-S254 VanDerWaalsContact C-N 3.34Å; P252-S254 PolarHBondContact O-N 2.83Å; S254-F256 WeakPolarHBondContact O-CD2 3.17Å; S254-F256 WeakPolarHBondContact O-CE2 3.13Å
255	G	93.5	Very high	96.2	Very high	12 Å²	12	30.4 Å²	30.4	12%	0.124	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	30.5	-179.7	0	0	0	0	0	114.1	Q251 P252 S277	Q251-G255 PolarHBondContact O-N 2.82Å; P252-G255 PolarHBondContact O-N 2.97Å; G255-S277 CarbonylContact C-O 3.52Å; G255-S277 WeakPolarHBondContact CA-O 3.07Å; G255-S277 CarbonylContact O-C 3.52Å; G255-S277 VanDerWaalsContact O-C 3.3Å; G255-S277 PolarHBondContact O-N 2.72Å
256	F	96.1	Very high	96.2	Very high	68 Å²	68	33.4 Å²	33.4	30%	0.298	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148	-179.6	-59.7	-69.8	0	0	0	112.5	Q251 S254 N274 I275 T276 S277	Q251-F256 WeakPolarHBondContact CB-O 3.2Å; Q251-F256 PolarHBondContact N-O 3.02Å; Q251-F256 PolarHBondContact O-N 3.11Å; S254-F256 WeakPolarHBondContact O-CD2 3.17Å; S254-F256 WeakPolarHBondContact O-CE2 3.13Å; F256-N274 HydrophobicContact CD1-CB 4.06Å; F256-N274 HydrophobicContact CG-CB 4.44Å; F256-I275 WeakPolarHBondContact CA-O 3.26Å; F256-T276 HydrophobicContact CE1-CG2 4.34Å; F256-S277 VanDerWaalsContact C-OG 3.31Å
257	C	96.8	Very high	96.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	109.1	149.2	-69.7	0	0	0	0	107.1	F249 L259 I275 S277 C283	F249-C257 CarbonylContact O-C 3.49Å; F249-C257 VanDerWaalsContact O-CA 3.31Å; F249-C257 WeakPolarHBondContact O-CA 3.45Å; C257-L259 WeakPolarHBondContact O-CD1 3.18Å; C257-I275 HydrophobicContact CB-CB 4.14Å; C257-I275 PolarHBondContact N-O 2.9Å; C257-I275 PolarHBondContact O-N 2.85Å; C257-S277 PolarHBondContact N-OG 3.16Å; C257-C283 HydrophobicContact CB-CB 3.81Å; C257-C283 WeakPolarHBondContact CB-SG 3.41Å; C257-C283 WeakPolarHBondContact SG-CB 3.38Å; C257-C283 CovalentContact SG-SG 2.02Å; C257-C283 PolarHBondContact SG-SG 2.99Å
258	T	97.2	Very high	96	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.7	-177.4	-56	0	0	0	0	109	F249 Q251 Y260 R271 N274	F249-T258 PolarHBondContact N-O 3.28Å; F249-T258 PolarHBondContact O-N 3.03Å; Q251-T258 PolarHBondContact NE2-OG1 2.74Å; Q251-T258 PolarHBondContact OE1-OG1 3.48Å; T258-Y260 HydrophobicContact CG2-CD2 4Å; T258-Y260 HydrophobicContact CG2-CE2 3.31Å; T258-R271 HydrophobicContact CG2-CG 4.28Å; T258-N274 WeakPolarHBondContact CG2-OD1 3.39Å
259	L	97.8	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137	179	-71.3	67.2	0	0	0	109.6	Y239 V247 A248 C257 F272 H273 I275 M294 F315	Y239-L259 VanDerWaalsContact OH-CD2 3.3Å; Y239-L259 WeakPolarHBondContact OH-CD2 3.29Å; V247-L259 CarbonylContact O-C 3.58Å; V247-L259 VanDerWaalsContact O-CA 3.3Å; V247-L259 WeakPolarHBondContact O-CA 3.3Å; A248-L259 HydrophobicContact CB-CG 4.49Å; C257-L259 WeakPolarHBondContact O-CD1 3.18Å; L259-F272 HydrophobicContact CB-CD1 4.28Å; L259-F272 HydrophobicContact CD2-CD1 4.45Å; L259-F272 PolarHBondContact O-N 2.76Å; L259-H273 WeakPolarHBondContact CB-O 3.46Å; L259-H273 PolarHBondContact N-O 3.27Å; L259-H273 PolarHBondContact O-N 3.01Å; L259-I275 HydrophobicContact CD1-CD1 4.21Å; L259-I275 HydrophobicContact CD1-CG1 4.32Å; L259-M294 HydrophobicContact CD1-CE 4.42Å; L259-M294 HydrophobicContact CD2-CE 4.09Å; L259-M294 HydrophobicContact CG-CE 4.37Å; L259-F315 HydrophobicContact CD2-CD2 4.44Å; L259-F315 HydrophobicContact CD2-CE2 3.41Å; L259-F315 VanDerWaalsContact CD2-CE2 3.41Å; L259-F315 HydrophobicContact CD2-CZ 3.83Å
260	Y	98.4	Very high	96	Very high	16 Å²	16	44.2 Å²	44.2	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.6	172.2	-72.5	-106.3	0	0	0	109.6	F229 F231 F246 V247 F249 T258 F269 R270 R271	F229-Y260 HydrophobicContact CD1-CE1 4.2Å; F229-Y260 HydrophobicContact CE1-CD1 4.09Å; F229-Y260 HydrophobicContact CE1-CE1 4.07Å; F231-Y260 AromaticContact CE1-CE2 3.98Å; F231-Y260 HydrophobicContact CE1-CE2 3.98Å; F231-Y260 AromaticContact CE1-CZ 3.86Å; F231-Y260 VanDerWaalsContact CE1-OH 3.25Å; F231-Y260 WeakPolarHBondContact CE1-OH 3.19Å; F231-Y260 AromaticContact CZ-CE2 3.95Å; F231-Y260 HydrophobicContact CZ-CE2 3.95Å; F246-Y260 CarbonylContact C-O 3.58Å; F246-Y260 WeakPolarHBondContact CA-O 3.48Å; F246-Y260 WeakPolarHBondContact CB-O 3.46Å; V247-Y260 PolarHBondContact N-O 2.95Å; V247-Y260 PolarHBondContact O-N 3.35Å; F249-Y260 AromaticContact CD2-CD2 3.66Å; F249-Y260 HydrophobicContact CD2-CD2 3.66Å; F249-Y260 AromaticContact CD2-CE2 3.9Å; F249-Y260 HydrophobicContact CD2-CE2 3.9Å; F249-Y260 AromaticContact CE2-CD2 3.62Å; F249-Y260 HydrophobicContact CE2-CD2 3.62Å; F249-Y260 HydrophobicContact CE2-CE2 4.03Å; F249-Y260 HydrophobicContact CE2-CG 4.3Å; T258-Y260 HydrophobicContact CG2-CD2 4Å; T258-Y260 HydrophobicContact CG2-CE2 3.31Å; Y260-F269 HydrophobicContact CD1-CB 4.2Å; Y260-R270 CarbonylContact C-O 3.49Å; Y260-R270 WeakPolarHBondContact CA-O 3.24Å; Y260-R270 WeakPolarHBondContact CB-O 3.29Å; Y260-R270 WeakPolarHBondContact CD1-O 3.37Å; Y260-R271 HydrophobicContact CD1-CB 4.33Å; Y260-R271 HydrophobicContact CE1-CB 3.88Å
261	I	98	Very high	95.9	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.195	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.9	173.3	-169.8	174.4	0	0	0	108.6	D244 F246 F269 R270 F272	D244-I261 HydrophobicContact CB-CD1 4.19Å; D244-I261 HydrophobicContact CB-CG1 4.37Å; F246-I261 HydrophobicContact CD1-CB 3.85Å; F246-I261 HydrophobicContact CD1-CD1 4.47Å; F246-I261 HydrophobicContact CD1-CG1 3.99Å; F246-I261 HydrophobicContact CE1-CB 3.71Å; F246-I261 HydrophobicContact CE1-CD1 3.59Å; F246-I261 HydrophobicContact CE1-CG1 3.59Å; F246-I261 HydrophobicContact CE2-CD1 4.45Å; F246-I261 HydrophobicContact CE2-CG1 4.47Å; F246-I261 HydrophobicContact CZ-CB 4.47Å; F246-I261 HydrophobicContact CZ-CD1 3.56Å; F246-I261 HydrophobicContact CZ-CG1 3.85Å; I261-F269 WeakPolarHBondContact O-CA 3.3Å; I261-R270 PolarHBondContact N-O 2.89Å; I261-R270 PolarHBondContact O-N 2.78Å; I261-F272 HydrophobicContact CB-CB 4.09Å; I261-F272 HydrophobicContact CB-CD2 4.44Å; I261-F272 HydrophobicContact CB-CG 4.42Å; I261-F272 HydrophobicContact CG2-CB 4.02Å; I261-F272 HydrophobicContact CG2-CD2 4.28Å
262	W	98.2	Very high	95.9	Very high	6 Å²	6	54.9 Å²	54.9	2%	0.023	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.2	173.4	-179.7	-103.2	0	0	0	111.6	Y226 H245 H264 M267 F269 V521 D522 K524 I526	Y226-W262 HydrophobicContact CE1-CH2 4.23Å; Y226-W262 HydrophobicContact CE1-CZ3 4.21Å; H245-W262 HydrophobicContact CB-CB 4.15Å; H245-W262 PolarHBondContact O-N 2.7Å; W262-H264 AromaticContact CD1-CD2 3.97Å; W262-H264 AromaticContact CD1-CE1 3.48Å; W262-H264 VanDerWaalsContact CD1-CE1 3.48Å; W262-H264 AromaticContact CD1-CG 3.78Å; W262-H264 AromaticContact CD1-ND1 3.45Å; W262-H264 AromaticContact CD1-NE2 3.78Å; W262-H264 AromaticContact NE1-CE1 3.99Å; W262-H264 AromaticContact NE1-ND1 3.58Å; W262-M267 HydrophobicContact CH2-CB 4.05Å; W262-M267 WeakPolarHBondContact CH2-O 3.49Å; W262-M267 HydrophobicContact CZ2-CB 3.86Å; W262-M267 HydrophobicContact CZ2-CG 4.47Å; W262-M267 HydrophobicContact CZ2-SD 3.77Å; W262-M267 WeakPolarHBondContact CZ3-O 3.17Å; W262-F269 HydrophobicContact CB-CD1 4.34Å; W262-F269 HydrophobicContact CB-CE1 3.95Å; W262-F269 HydrophobicContact CE3-CD1 4.18Å; W262-F269 AromaticContact CE3-CD2 3.95Å; W262-F269 HydrophobicContact CE3-CD2 3.95Å; W262-F269 AromaticContact CE3-CE1 3.92Å; W262-F269 HydrophobicContact CE3-CE1 3.92Å; W262-F269 AromaticContact CE3-CE2 3.68Å; W262-F269 HydrophobicContact CE3-CE2 3.68Å; W262-F269 HydrophobicContact CE3-CG 4.19Å; W262-F269 AromaticContact CE3-CZ 3.65Å; W262-F269 HydrophobicContact CE3-CZ 3.65Å; W262-F269 HydrophobicContact CZ3-CD2 4.13Å; W262-F269 AromaticContact CZ3-CE2 3.88Å; W262-F269 HydrophobicContact CZ3-CE2 3.88Å; W262-F269 HydrophobicContact CZ3-CZ 4.27Å; W262-V521 HydrophobicContact CB-CG2 4.49Å; W262-V521 HydrophobicContact CD2-CG1 3.71Å; W262-V521 HydrophobicContact CD2-CG2 4.02Å; W262-V521 HydrophobicContact CE3-CG1 3.95Å; W262-V521 HydrophobicContact CG-CG1 4.18Å; W262-V521 HydrophobicContact CG-CG2 3.73Å; W262-V521 HydrophobicContact CH2-CG1 4.21Å; W262-V521 HydrophobicContact CZ2-CG1 4Å; W262-V521 HydrophobicContact CZ3-CG1 4.2Å; W262-D522 HydrophobicContact CZ2-CB 4.44Å; W262-D522 PolarHBondContact NE1-OD2 3.37Å; W262-K524 HydrophobicContact CH2-CD 3.81Å; W262-K524 HydrophobicContact CZ2-CD 4.04Å; W262-I526 HydrophobicContact CH2-CD1 3.81Å; W262-I526 HydrophobicContact CZ3-CD1 3.58Å
263	D	97.7	Very high	96.2	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.15	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	108.8	172	-170.6	-47.6	0	0	0	109.9	V265 E266 M267 I268 R270	D263-V265 PolarHBondContact O-N 3.25Å; D263-V265 WeakPolarHBondContact OD1-CA 3.5Å; D263-V265 WeakPolarHBondContact OD1-CB 3.45Å; D263-V265 PolarHBondContact OD1-N 2.82Å; D263-E266 HydrophobicContact CB-CB 4.47Å; D263-E266 PolarHBondContact OD1-N 2.88Å; D263-M267 WeakPolarHBondContact O-CA 3.44Å; D263-M267 PolarHBondContact O-N 3.38Å; D263-I268 WeakPolarHBondContact CB-O 3.12Å; D263-I268 PolarHBondContact N-O 3.33Å; D263-R270 HydrophobicContact CB-CG 4.16Å; D263-R270 WeakPolarHBondContact OD2-CD 3.48Å; D263-R270 IonicContact OD2-CZ 3.14Å; D263-R270 IonicContact OD2-NE 3.64Å; D263-R270 PolarHBondContact OD2-NE 3.1Å; D263-R270 VanDerWaalsContact OD2-NE 3.08Å; D263-R270 IonicContact OD2-NH1 3.66Å; D263-R270 PolarHBondContact OD2-NH1 3Å
264	H	96.1	Very high	96.6	Very high	78 Å²	78	52.5 Å²	52.5	36%	0.361	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.6	-179.6	-66.5	-80	0	0	0	114.5	D244 W262 M267 D522	D244-H264 IonicContact OD1-NE2 2.74Å; W262-H264 AromaticContact CD1-CD2 3.97Å; W262-H264 AromaticContact CD1-CE1 3.48Å; W262-H264 VanDerWaalsContact CD1-CE1 3.48Å; W262-H264 AromaticContact CD1-CG 3.78Å; W262-H264 AromaticContact CD1-ND1 3.45Å; W262-H264 AromaticContact CD1-NE2 3.78Å; W262-H264 AromaticContact NE1-CE1 3.99Å; W262-H264 AromaticContact NE1-ND1 3.58Å; H264-M267 WeakPolarHBondContact O-CE 3.5Å; H264-D522 IonicContact CE1-OD1 2.8Å; H264-D522 IonicContact CE1-OD2 2.71Å; H264-D522 IonicContact CG-OD2 2.95Å; H264-D522 IonicContact ND1-OD1 3.34Å; H264-D522 PolarHBondContact ND1-OD1 3.08Å; H264-D522 IonicContact ND1-OD2 2.84Å; H264-D522 PolarHBondContact ND1-OD2 3.39Å
265	V	96.1	Very high	96.9	Very high	131 Å²	131	49.7 Å²	49.7	79%	0.794	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-50.9	179	-178.5	0	0	0	0	110.2	D263	D263-V265 PolarHBondContact O-N 3.25Å; D263-V265 WeakPolarHBondContact OD1-CA 3.5Å; D263-V265 WeakPolarHBondContact OD1-CB 3.45Å; D263-V265 PolarHBondContact OD1-N 2.82Å
266	E	96.4	Very high	97	Very high	103 Å²	103	53.7 Å²	53.7	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.8	179.9	-69.7	-171.9	-179.1	0	0	113.3	D263 I268 R270	D263-E266 HydrophobicContact CB-CB 4.47Å; D263-E266 PolarHBondContact OD1-N 2.88Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 HydrophobicContact CB-CD1 4.22Å; E266-I268 HydrophobicContact CB-CG1 3.82Å; E266-I268 PolarHBondContact O-N 3.13Å; E266-I268 WeakPolarHBondContact OE2-CD1 3.41Å; E266-R270 IonicContact OE1-CZ 3.98Å; E266-R270 IonicContact OE1-NH2 3.86Å; E266-R270 PolarHBondContact OE1-NH2 2.86Å; E266-R270 IonicContact OE2-CZ 2.7Å; E266-R270 IonicContact OE2-NE 3.59Å; E266-R270 PolarHBondContact OE2-NE 3.13Å; E266-R270 IonicContact OE2-NH2 3.04Å; E266-R270 PolarHBondContact OE2-NH2 2.8Å
267	M	96.7	Very high	96.9	Very high	65 Å²	65	50.5 Å²	50.5	32%	0.32	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	41.3	-177.6	-56.1	-70.9	177.8	0	0	111.9	Y226 W262 D263 H264 D522	Y226-M267 WeakPolarHBondContact CE1-O 3.32Å; Y226-M267 PolarHBondContact OH-O 2.92Å; W262-M267 HydrophobicContact CH2-CB 4.05Å; W262-M267 WeakPolarHBondContact CH2-O 3.49Å; W262-M267 HydrophobicContact CZ2-CB 3.86Å; W262-M267 HydrophobicContact CZ2-CG 4.47Å; W262-M267 HydrophobicContact CZ2-SD 3.77Å; W262-M267 WeakPolarHBondContact CZ3-O 3.17Å; D263-M267 WeakPolarHBondContact O-CA 3.44Å; D263-M267 PolarHBondContact O-N 3.38Å; H264-M267 WeakPolarHBondContact O-CE 3.5Å; M267-D522 HydrophobicContact CE-CB 4.39Å; M267-D522 HydrophobicContact SD-CB 3.95Å
268	I	97.1	Very high	96.6	Very high	56 Å²	56	59.8 Å²	59.8	29%	0.287	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.1	179.8	61.9	171.3	0	0	0	111.3	E227 D263 E266 R270	E227-I268 WeakPolarHBondContact OE1-CA 3.41Å; D263-I268 WeakPolarHBondContact CB-O 3.12Å; D263-I268 PolarHBondContact N-O 3.33Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 HydrophobicContact CB-CD1 4.22Å; E266-I268 HydrophobicContact CB-CG1 3.82Å; E266-I268 PolarHBondContact O-N 3.13Å; E266-I268 WeakPolarHBondContact OE2-CD1 3.41Å; I268-R270 HydrophobicContact CD1-CG 4.41Å; I268-R270 HydrophobicContact CG1-CG 4.27Å
269	F	98.1	Very high	96.4	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.3	171.9	-76.3	-72.9	0	0	0	111.7	E227 F229 V247 Y260 I261 W262 V519 I526	E227-F269 PolarHBondContact OE1-N 3.16Å; E227-F269 VanDerWaalsContact OE1-N 3.13Å; E227-F269 PolarHBondContact OE2-N 2.73Å; E227-F269 VanDerWaalsContact OE2-N 3.13Å; F229-F269 HydrophobicContact CE1-CB 4.18Å; F229-F269 HydrophobicContact CZ-CB 4.07Å; V247-F269 HydrophobicContact CG2-CD1 3.88Å; V247-F269 HydrophobicContact CG2-CE1 3.51Å; V247-F269 HydrophobicContact CG2-CE2 4.48Å; V247-F269 HydrophobicContact CG2-CZ 3.86Å; Y260-F269 HydrophobicContact CD1-CB 4.2Å; I261-F269 WeakPolarHBondContact O-CA 3.3Å; W262-F269 HydrophobicContact CB-CD1 4.34Å; W262-F269 HydrophobicContact CB-CE1 3.95Å; W262-F269 HydrophobicContact CE3-CD1 4.18Å; W262-F269 AromaticContact CE3-CD2 3.95Å; W262-F269 HydrophobicContact CE3-CD2 3.95Å; W262-F269 AromaticContact CE3-CE1 3.92Å; W262-F269 HydrophobicContact CE3-CE1 3.92Å; W262-F269 AromaticContact CE3-CE2 3.68Å; W262-F269 HydrophobicContact CE3-CE2 3.68Å; W262-F269 HydrophobicContact CE3-CG 4.19Å; W262-F269 AromaticContact CE3-CZ 3.65Å; W262-F269 HydrophobicContact CE3-CZ 3.65Å; W262-F269 HydrophobicContact CZ3-CD2 4.13Å; W262-F269 AromaticContact CZ3-CE2 3.88Å; W262-F269 HydrophobicContact CZ3-CE2 3.88Å; W262-F269 HydrophobicContact CZ3-CZ 4.27Å; F269-V519 HydrophobicContact CE2-CG1 4.02Å; F269-V519 HydrophobicContact CZ-CG1 3.68Å; F269-V519 HydrophobicContact CZ-CG2 4.28Å; F269-I526 HydrophobicContact CE2-CD1 4.05Å; F269-I526 HydrophobicContact CE2-CG2 4.48Å
270	R	97.3	Very high	96.3	Very high	108 Å²	108	61.4 Å²	61.4	41%	0.408	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144.5	176.6	-71.2	-175.6	165.2	-170.5	-19.9	111.9	Y260 I261 D263 E266 I268 F272	Y260-R270 CarbonylContact C-O 3.49Å; Y260-R270 WeakPolarHBondContact CA-O 3.24Å; Y260-R270 WeakPolarHBondContact CB-O 3.29Å; Y260-R270 WeakPolarHBondContact CD1-O 3.37Å; I261-R270 PolarHBondContact N-O 2.89Å; I261-R270 PolarHBondContact O-N 2.78Å; D263-R270 HydrophobicContact CB-CG 4.16Å; D263-R270 WeakPolarHBondContact OD2-CD 3.48Å; D263-R270 IonicContact OD2-CZ 3.14Å; D263-R270 IonicContact OD2-NE 3.64Å; D263-R270 PolarHBondContact OD2-NE 3.1Å; D263-R270 VanDerWaalsContact OD2-NE 3.08Å; D263-R270 IonicContact OD2-NH1 3.66Å; D263-R270 PolarHBondContact OD2-NH1 3Å; E266-R270 IonicContact OE1-CZ 3.98Å; E266-R270 IonicContact OE1-NH2 3.86Å; E266-R270 PolarHBondContact OE1-NH2 2.86Å; E266-R270 IonicContact OE2-CZ 2.7Å; E266-R270 IonicContact OE2-NE 3.59Å; E266-R270 PolarHBondContact OE2-NE 3.13Å; E266-R270 IonicContact OE2-NH2 3.04Å; E266-R270 PolarHBondContact OE2-NH2 2.8Å; I268-R270 HydrophobicContact CD1-CG 4.41Å; I268-R270 HydrophobicContact CG1-CG 4.27Å; R270-F272 PolarHBondContact O-N 2.81Å
271	R	96.9	Very high	96.2	Very high	154 Å²	154	61.6 Å²	61.6	58%	0.581	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.3	177.6	-175.6	179.6	-63.5	-179.8	-0.5	109.5	T258 Y260	T258-R271 HydrophobicContact CG2-CG 4.28Å; Y260-R271 HydrophobicContact CD1-CB 4.33Å; Y260-R271 HydrophobicContact CE1-CB 3.88Å
272	F	95.8	Very high	96.2	Very high	77 Å²	77	60.6 Å²	60.6	34%	0.338	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-57.6	-178.7	176	-113	0	0	0	111.9	F246 L259 I261 R270 W308	F246-F272 HydrophobicContact CD1-CD1 4.21Å; F246-F272 HydrophobicContact CD1-CG 4.46Å; F246-F272 AromaticContact CE1-CD1 3.86Å; F246-F272 HydrophobicContact CE1-CD1 3.86Å; F246-F272 HydrophobicContact CE1-CD2 4.27Å; F246-F272 AromaticContact CE1-CE1 3.95Å; F246-F272 HydrophobicContact CE1-CE1 3.95Å; F246-F272 HydrophobicContact CE1-CE2 4.36Å; F246-F272 HydrophobicContact CE1-CG 4.02Å; F246-F272 HydrophobicContact CE1-CZ 4.2Å; L259-F272 HydrophobicContact CB-CD1 4.28Å; L259-F272 HydrophobicContact CD2-CD1 4.45Å; L259-F272 PolarHBondContact O-N 2.76Å; I261-F272 HydrophobicContact CB-CB 4.09Å; I261-F272 HydrophobicContact CB-CD2 4.44Å; I261-F272 HydrophobicContact CB-CG 4.42Å; I261-F272 HydrophobicContact CG2-CB 4.02Å; I261-F272 HydrophobicContact CG2-CD2 4.28Å; R270-F272 PolarHBondContact O-N 2.81Å; F272-W308 AromaticContact CE1-CH2 3.54Å; F272-W308 HydrophobicContact CE1-CH2 3.54Å; F272-W308 HydrophobicContact CE1-CZ2 4.04Å; F272-W308 AromaticContact CE1-CZ3 3.88Å; F272-W308 HydrophobicContact CE1-CZ3 3.88Å; F272-W308 HydrophobicContact CE2-CH2 4.5Å; F272-W308 AromaticContact CZ-CH2 3.39Å; F272-W308 HydrophobicContact CZ-CH2 3.39Å; F272-W308 AromaticContact CZ-CZ2 3.58Å; F272-W308 HydrophobicContact CZ-CZ2 3.58Å; F272-W308 HydrophobicContact CZ-CZ3 4.21Å
273	H	96.5	Very high	96.2	Very high	41 Å²	41	60.3 Å²	60.3	19%	0.19	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.9	-173	-174	-81.1	0	0	0	111.5	L259 W308 F315	L259-H273 WeakPolarHBondContact CB-O 3.46Å; L259-H273 PolarHBondContact N-O 3.27Å; L259-H273 PolarHBondContact O-N 3.01Å; H273-W308 AromaticContact CD2-CZ3 3.95Å; H273-F315 AromaticContact CE1-CD2 3.78Å; H273-F315 AromaticContact ND1-CD2 3.61Å
274	N	96.7	Very high	96.2	Very high	50 Å²	50	59.9 Å²	59.9	27%	0.267	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131	173.9	-69.4	7.9	0	0	0	110.9	F256 T258	F256-N274 HydrophobicContact CD1-CB 4.06Å; F256-N274 HydrophobicContact CG-CB 4.44Å; T258-N274 WeakPolarHBondContact CG2-OD1 3.39Å
275	I	97	Very high	96.3	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.5	168	-53.7	169.3	0	0	0	107.4	F256 C257 L259 S277 M294 V296 Y306 F315	F256-I275 WeakPolarHBondContact CA-O 3.26Å; C257-I275 HydrophobicContact CB-CB 4.14Å; C257-I275 PolarHBondContact N-O 2.9Å; C257-I275 PolarHBondContact O-N 2.85Å; L259-I275 HydrophobicContact CD1-CD1 4.21Å; L259-I275 HydrophobicContact CD1-CG1 4.32Å; I275-S277 PolarHBondContact O-N 2.81Å; I275-S277 PolarHBondContact O-OG 2.97Å; I275-M294 HydrophobicContact CD1-CB 3.98Å; I275-M294 HydrophobicContact CD1-CG 3.71Å; I275-V296 HydrophobicContact CG2-CG2 4.46Å; I275-Y306 HydrophobicContact CG2-CD1 3.92Å; I275-Y306 HydrophobicContact CG2-CD2 3.97Å; I275-Y306 HydrophobicContact CG2-CE1 3.67Å; I275-Y306 HydrophobicContact CG2-CE2 3.71Å; I275-Y306 HydrophobicContact CG2-CG 4.08Å; I275-F315 HydrophobicContact CD1-CB 4.11Å; I275-F315 HydrophobicContact CD1-CD1 4Å; I275-F315 HydrophobicContact CD1-CD2 3.71Å; I275-F315 HydrophobicContact CD1-CE1 4.36Å; I275-F315 HydrophobicContact CD1-CE2 4.12Å; I275-F315 HydrophobicContact CD1-CG 3.64Å; I275-F315 HydrophobicContact CD1-CZ 4.4Å; I275-F315 HydrophobicContact CG1-CB 3.98Å; I275-F315 HydrophobicContact CG1-CD2 3.77Å; I275-F315 HydrophobicContact CG1-CE2 4.49Å; I275-F315 HydrophobicContact CG1-CG 3.89Å
276	T	96.1	Very high	96.3	Very high	95 Å²	95	50.8 Å²	50.8	58%	0.583	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	116.6	177.6	-53.7	0	0	0	0	110.3	F256	F256-T276 HydrophobicContact CE1-CG2 4.34Å
277	S	93.8	Very high	96.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	22%	0.223	C	C	.	.			trans	-151.2	93	-173.2	52.6	0	0	0	0	110.1	G255 F256 C257 I275 S279 A280	G255-S277 CarbonylContact C-O 3.52Å; G255-S277 WeakPolarHBondContact CA-O 3.07Å; G255-S277 CarbonylContact O-C 3.52Å; G255-S277 VanDerWaalsContact O-C 3.3Å; G255-S277 PolarHBondContact O-N 2.72Å; F256-S277 VanDerWaalsContact C-OG 3.31Å; C257-S277 PolarHBondContact N-OG 3.16Å; I275-S277 PolarHBondContact O-N 2.81Å; I275-S277 PolarHBondContact O-OG 2.97Å; S277-S279 PolarHBondContact O-N 2.75Å; S277-S279 VanDerWaalsContact O-N 3.12Å; S277-A280 PolarHBondContact O-N 3.14Å; S277-A280 WeakPolarHBondContact OG-CB 3.41Å
278	R	90.1	Very high	96	Very high	196 Å²	196	45.1 Å²	45.1	74%	0.74	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	119.1	-179.9	-65.6	-176.6	-178	-178.7	0.8	109.4	A280 Q298	R278-A280 PolarHBondContact O-N 2.78Å; R278-Q298 PolarHBondContact O-NE2 3.22Å
279	S	93.5	Very high	95.7	Very high	34 Å²	34	49.4 Å²	49.4	24%	0.238	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	44.6	-179.8	-48	0	0	0	0	114	S277 V281 L299	S277-S279 PolarHBondContact O-N 2.75Å; S277-S279 VanDerWaalsContact O-N 3.12Å; S279-V281 PolarHBondContact O-N 2.84Å; S279-L299 PolarHBondContact O-N 3.37Å
280	A	95.5	Very high	95.4	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	131.4	168.8	0	0	0	0	0	111.4	A250 S277 R278 V296 A297 Q298	A250-A280 HydrophobicContact CB-CB 4.41Å; S277-A280 PolarHBondContact O-N 3.14Å; S277-A280 WeakPolarHBondContact OG-CB 3.41Å; R278-A280 PolarHBondContact O-N 2.78Å; A280-V296 HydrophobicContact CB-CG1 4.35Å; A280-A297 CarbonylContact C-O 3.56Å; A280-A297 WeakPolarHBondContact CA-O 3.49Å; A280-Q298 HydrophobicContact CB-CG 4.47Å
281	V	96.9	Very high	95.2	Very high	20 Å²	20	50.9 Å²	50.9	12%	0.121	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-28.8	175.5	-175	0	0	0	0	111.1	V234 S279 A297 L299	V234-V281 WeakPolarHBondContact CG2-O 3.2Å; S279-V281 PolarHBondContact O-N 2.84Å; V281-A297 PolarHBondContact N-O 3.37Å; V281-L299 HydrophobicContact CG2-CD1 3.73Å; V281-L299 HydrophobicContact CG2-CD2 4.03Å; V281-L299 HydrophobicContact CG2-CG 3.46Å; V281-L299 VanDerWaalsContact CG2-CG 3.46Å
282	Y	98	Very high	95.1	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.071	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141	178.9	-137.9	-85.4	0	0	0	111	E237 K284 A297 F331 V332	E237-Y282 HydrophobicContact CG-CE1 3.74Å; E237-Y282 VanDerWaalsContact OE1-CE1 3.26Å; E237-Y282 WeakPolarHBondContact OE1-CE1 3.15Å; E237-Y282 VanDerWaalsContact OE1-CZ 3.25Å; E237-Y282 PolarHBondContact OE1-OH 2.94Å; Y282-K284 HydrophobicContact CD1-CB 4.08Å; Y282-K284 HydrophobicContact CD1-CD 4.47Å; Y282-K284 HydrophobicContact CE1-CB 4.33Å; Y282-K284 HydrophobicContact CE1-CD 3.88Å; Y282-A297 PolarHBondContact N-O 2.6Å; Y282-A297 PolarHBondContact O-N 2.86Å; Y282-F331 HydrophobicContact CD2-CD2 4Å; Y282-F331 HydrophobicContact CD2-CE2 4.4Å; Y282-F331 AromaticContact CE2-CD2 3.33Å; Y282-F331 HydrophobicContact CE2-CD2 3.33Å; Y282-F331 AromaticContact CE2-CE2 3.34Å; Y282-F331 HydrophobicContact CE2-CE2 3.34Å; Y282-F331 HydrophobicContact CE2-CG 4.2Å; Y282-F331 HydrophobicContact CE2-CZ 4.2Å; Y282-F331 AromaticContact CZ-CD2 3.92Å; Y282-F331 AromaticContact CZ-CE2 3.5Å; Y282-F331 AromaticContact CZ-CZ 3.94Å; Y282-F331 WeakPolarHBondContact OH-CE2 3.17Å; Y282-F331 WeakPolarHBondContact OH-CZ 3.32Å; Y282-V332 HydrophobicContact CD1-CB 3.95Å; Y282-V332 HydrophobicContact CD1-CG2 4.43Å; Y282-V332 HydrophobicContact CG-CB 4.28Å; Y282-V332 HydrophobicContact CG-CG2 4.35Å
283	C	97.9	Very high	95.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	95.6	174.2	-44	0	0	0	0	106.9	A248 A250 C257 P285 M294	A248-C283 HydrophobicContact CB-CB 4.38Å; A250-C283 VanDerWaalsContact CA-SG 3.53Å; A250-C283 VanDerWaalsContact CB-SG 3.52Å; C257-C283 HydrophobicContact CB-CB 3.81Å; C257-C283 WeakPolarHBondContact CB-SG 3.41Å; C257-C283 WeakPolarHBondContact SG-CB 3.38Å; C257-C283 CovalentContact SG-SG 2.02Å; C257-C283 PolarHBondContact SG-SG 2.99Å; C283-P285 WeakPolarHBondContact O-CD 3.39Å; C283-M294 HydrophobicContact CB-SD 3.96Å
284	K	98	Very high	95.3	Very high	19 Å²	19	38.9 Å²	38.9	8%	0.083	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.7	-175.4	-169.5	72.2	177.5	179.2	0	110.2	E237 Y282 M294 V295 V332 D333 T334	E237-K284 HydrophobicContact CG-CD 4.31Å; E237-K284 IonicContact OE1-NZ 3.72Å; E237-K284 PolarHBondContact OE1-NZ 3.28Å; E237-K284 IonicContact OE2-NZ 3.68Å; E237-K284 PolarHBondContact OE2-NZ 3.27Å; Y282-K284 HydrophobicContact CD1-CB 4.08Å; Y282-K284 HydrophobicContact CD1-CD 4.47Å; Y282-K284 HydrophobicContact CE1-CB 4.33Å; Y282-K284 HydrophobicContact CE1-CD 3.88Å; K284-M294 VanDerWaalsContact C-SD 3.54Å; K284-V295 HydrophobicContact CB-CB 4.35Å; K284-V295 PolarHBondContact N-O 3.3Å; K284-V295 PolarHBondContact O-N 2.82Å; K284-V332 HydrophobicContact CB-CB 4.05Å; K284-V332 HydrophobicContact CB-CG1 3.76Å; K284-V332 HydrophobicContact CG-CG1 4.09Å; K284-D333 IonicContact NZ-OD1 2.65Å; K284-T334 HydrophobicContact CD-CG2 4.5Å; K284-T334 VanDerWaalsContact CE-OG1 3.31Å; K284-T334 WeakPolarHBondContact CE-OG1 3.25Å; K284-T334 HydrophobicContact CG-CG2 3.62Å
285	P	97.6	Very high	95.3	Very high	12 Å²	12	36.5 Å²	36.5	8%	0.078	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	143.4	173.4	31.5	-35	0	0	0	110.4	E237 Y239 C283 L292 Y293 M294	E237-P285 HydrophobicContact CB-CG 4.38Å; Y239-P285 HydrophobicContact CD1-CB 3.69Å; Y239-P285 HydrophobicContact CD1-CG 3.48Å; Y239-P285 VanDerWaalsContact CD1-CG 3.48Å; Y239-P285 HydrophobicContact CD2-CB 3.9Å; Y239-P285 HydrophobicContact CD2-CG 4.38Å; Y239-P285 HydrophobicContact CE1-CB 4.02Å; Y239-P285 HydrophobicContact CE1-CG 4.16Å; Y239-P285 HydrophobicContact CE2-CB 4.21Å; Y239-P285 HydrophobicContact CG-CB 3.62Å; Y239-P285 HydrophobicContact CG-CG 3.59Å; C283-P285 WeakPolarHBondContact O-CD 3.39Å; P285-L292 HydrophobicContact CB-CD1 4.16Å; P285-Y293 WeakPolarHBondContact CA-O 3.13Å; P285-M294 HydrophobicContact CB-CE 4.1Å; P285-M294 HydrophobicContact CB-SD 4.4Å
286	V	95.8	Very high	95.4	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	122.3	173.6	-166.1	0	0	0	0	108.6	I288 Y293 V295 T334 W341 F364	V286-I288 HydrophobicContact CG1-CD1 4.05Å; V286-I288 HydrophobicContact CG1-CG1 3.86Å; V286-Y293 PolarHBondContact N-O 2.87Å; V286-Y293 PolarHBondContact O-N 3.03Å; V286-V295 HydrophobicContact CG2-CG2 4.26Å; V286-T334 HydrophobicContact CG2-CG2 3.5Å; V286-W341 HydrophobicContact CG1-CD2 4.44Å; V286-W341 HydrophobicContact CG1-CE3 4.09Å; V286-W341 HydrophobicContact CG1-CZ3 4.37Å; V286-F364 HydrophobicContact CG1-CZ 4.3Å
287	V	94.7	Very high	95.5	Very high	47 Å²	47	31.9 Å²	31.9	29%	0.285	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.9	177.7	-177.2	0	0	0	0	108.9	F241 T291 L292	F241-V287 HydrophobicContact CD2-CG1 4.11Å; F241-V287 HydrophobicContact CD2-CG2 4.01Å; F241-V287 HydrophobicContact CE2-CG1 4.49Å; V287-T291 WeakPolarHBondContact CA-O 3.44Å; V287-L292 HydrophobicContact CG2-CD1 3.88Å
288	I	93.8	Very high	95.6	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.8	-179.9	-54.2	-178.7	0	0	0	107.9	V286 N290 T291 Y293 W341 W359 F364	V286-I288 HydrophobicContact CG1-CD1 4.05Å; V286-I288 HydrophobicContact CG1-CG1 3.86Å; I288-N290 VanDerWaalsContact C-N 3.28Å; I288-N290 PolarHBondContact O-N 2.85Å; I288-T291 PolarHBondContact N-O 3.14Å; I288-T291 WeakPolarHBondContact O-CB 3.24Å; I288-T291 PolarHBondContact O-N 3.48Å; I288-Y293 HydrophobicContact CB-CD2 4.35Å; I288-Y293 HydrophobicContact CB-CE2 4.08Å; I288-Y293 HydrophobicContact CD1-CD2 4.48Å; I288-Y293 HydrophobicContact CG1-CD2 4.35Å; I288-W341 HydrophobicContact CD1-CB 3.83Å; I288-W341 HydrophobicContact CD1-CD2 4.47Å; I288-W341 HydrophobicContact CD1-CG 3.79Å; I288-W341 HydrophobicContact CG1-CB 4.48Å; I288-W341 HydrophobicContact CG1-CD2 4.23Å; I288-W341 HydrophobicContact CG1-CG 3.9Å; I288-W359 HydrophobicContact CD1-CB 4.39Å; I288-W359 HydrophobicContact CD1-CD2 3.6Å; I288-W359 HydrophobicContact CD1-CE3 3.7Å; I288-W359 HydrophobicContact CD1-CG 3.91Å; I288-W359 HydrophobicContact CD1-CZ3 4.24Å; I288-W359 HydrophobicContact CG2-CZ2 4.5Å; I288-F364 HydrophobicContact CD1-CE1 4.43Å; I288-F364 HydrophobicContact CD1-CE2 4.16Å; I288-F364 HydrophobicContact CD1-CZ 3.62Å
289	N	90.3	Very high	95.8	Very high	146 Å²	146	25.8 Å²	25.8	78%	0.781	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	48.9	179.4	-59.7	-22.5	0	0	0	112.5	T291	N289-T291 PolarHBondContact O-N 2.8Å; N289-T291 VanDerWaalsContact O-N 3.1Å
290	N	90.4	Very high	95.7	Very high	104 Å²	104	30.4 Å²	30.4	56%	0.556	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	17.1	-176.6	-155.7	55.2	0	0	0	115.3	F241 I288	F241-N290 WeakPolarHBondContact CE2-O 3.35Å; I288-N290 VanDerWaalsContact C-N 3.28Å; I288-N290 PolarHBondContact O-N 2.85Å
291	T	93.6	Very high	95.3	Very high	42 Å²	42	34 Å²	34	26%	0.258	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.7	172.3	-57.6	0	0	0	0	109.4	V287 I288 N289 Y293 K307	V287-T291 WeakPolarHBondContact CA-O 3.44Å; I288-T291 PolarHBondContact N-O 3.14Å; I288-T291 WeakPolarHBondContact O-CB 3.24Å; I288-T291 PolarHBondContact O-N 3.48Å; N289-T291 PolarHBondContact O-N 2.8Å; N289-T291 VanDerWaalsContact O-N 3.1Å; T291-Y293 HydrophobicContact CG2-CD2 4.3Å; T291-Y293 HydrophobicContact CG2-CE1 4.48Å; T291-Y293 HydrophobicContact CG2-CE2 3.55Å; T291-Y293 WeakPolarHBondContact O-CD2 3.42Å; T291-K307 HydrophobicContact CG2-CD 4.3Å; T291-K307 HydrophobicContact CG2-CG 3.96Å
292	L	96.1	Very high	95.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128	178.1	176.6	63.5	0	0	0	111.1	Y239 F241 P285 V287 W308 F315	Y239-L292 HydrophobicContact CD2-CD1 4.19Å; Y239-L292 HydrophobicContact CE2-CD1 3.78Å; Y239-L292 HydrophobicContact CE2-CD2 3.82Å; Y239-L292 HydrophobicContact CE2-CG 4.49Å; F241-L292 HydrophobicContact CD1-CB 4.35Å; F241-L292 HydrophobicContact CD1-CD2 4.05Å; F241-L292 HydrophobicContact CD2-CB 3.84Å; F241-L292 HydrophobicContact CE1-CB 4.18Å; F241-L292 HydrophobicContact CE1-CD2 4.38Å; F241-L292 HydrophobicContact CE2-CB 3.66Å; F241-L292 HydrophobicContact CG-CB 4.19Å; F241-L292 HydrophobicContact CG-CD2 4.21Å; F241-L292 HydrophobicContact CZ-CB 3.85Å; P285-L292 HydrophobicContact CB-CD1 4.16Å; V287-L292 HydrophobicContact CG2-CD1 3.88Å; L292-W308 HydrophobicContact CB-CB 3.82Å; L292-W308 HydrophobicContact CD2-CB 4.32Å; L292-W308 HydrophobicContact CG-CB 4.27Å; L292-W308 WeakPolarHBondContact O-CB 3.48Å; L292-W308 PolarHBondContact O-N 2.8Å; L292-F315 HydrophobicContact CD2-CE1 4.24Å; L292-F315 HydrophobicContact CD2-CZ 3.64Å; L292-F315 HydrophobicContact CG-CE1 4.17Å; L292-F315 HydrophobicContact CG-CZ 4.06Å
293	Y	97.2	Very high	95	Very high	18 Å²	18	33 Å²	33	7%	0.071	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153	170.2	-60.2	-93.3	0	0	0	109.6	P285 V286 I288 T291 Y306 K307 I318 W359	P285-Y293 WeakPolarHBondContact CA-O 3.13Å; V286-Y293 PolarHBondContact N-O 2.87Å; V286-Y293 PolarHBondContact O-N 3.03Å; I288-Y293 HydrophobicContact CB-CD2 4.35Å; I288-Y293 HydrophobicContact CB-CE2 4.08Å; I288-Y293 HydrophobicContact CD1-CD2 4.48Å; I288-Y293 HydrophobicContact CG1-CD2 4.35Å; T291-Y293 HydrophobicContact CG2-CD2 4.3Å; T291-Y293 HydrophobicContact CG2-CE1 4.48Å; T291-Y293 HydrophobicContact CG2-CE2 3.55Å; T291-Y293 WeakPolarHBondContact O-CD2 3.42Å; Y293-Y306 CarbonylContact C-O 3.54Å; Y293-Y306 VanDerWaalsContact CA-O 3.23Å; Y293-Y306 WeakPolarHBondContact CA-O 3.41Å; Y293-K307 HydrophobicContact CD1-CB 3.96Å; Y293-K307 HydrophobicContact CD1-CG 4.06Å; Y293-K307 HydrophobicContact CE1-CB 3.92Å; Y293-K307 HydrophobicContact CE1-CD 3.93Å; Y293-K307 HydrophobicContact CE1-CG 3.66Å; Y293-I318 HydrophobicContact CD1-CD1 3.88Å; Y293-I318 HydrophobicContact CE1-CD1 3.78Å; Y293-W359 HydrophobicContact CD1-CZ3 4.4Å; Y293-W359 AromaticContact CE1-CH2 3.72Å; Y293-W359 HydrophobicContact CE1-CH2 3.72Å; Y293-W359 AromaticContact CE1-CZ3 3.96Å; Y293-W359 HydrophobicContact CE1-CZ3 3.96Å; Y293-W359 AromaticContact CE2-CH2 3.98Å; Y293-W359 HydrophobicContact CE2-CH2 3.98Å; Y293-W359 HydrophobicContact CE2-CZ3 4.38Å; Y293-W359 AromaticContact CZ-CH2 3.39Å; Y293-W359 AromaticContact CZ-CZ3 3.98Å; Y293-W359 VanDerWaalsContact OH-CH2 3.29Å; Y293-W359 WeakPolarHBondContact OH-CH2 3.44Å
294	M	97.9	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.8	175.7	-172.5	70.7	62.6	0	0	109.3	A248 L259 I275 C283 K284 P285 V296 I305 Y306 F315	A248-M294 HydrophobicContact CB-CE 4.23Å; L259-M294 HydrophobicContact CD1-CE 4.42Å; L259-M294 HydrophobicContact CD2-CE 4.09Å; L259-M294 HydrophobicContact CG-CE 4.37Å; I275-M294 HydrophobicContact CD1-CB 3.98Å; I275-M294 HydrophobicContact CD1-CG 3.71Å; C283-M294 HydrophobicContact CB-SD 3.96Å; K284-M294 VanDerWaalsContact C-SD 3.54Å; P285-M294 HydrophobicContact CB-CE 4.1Å; P285-M294 HydrophobicContact CB-SD 4.4Å; M294-V296 HydrophobicContact CB-CG2 4.5Å; M294-V296 HydrophobicContact CG-CG2 3.68Å; M294-I305 WeakPolarHBondContact O-CA 3.38Å; M294-Y306 PolarHBondContact N-O 2.93Å; M294-Y306 PolarHBondContact O-N 2.89Å; M294-F315 HydrophobicContact CB-CD1 4.24Å; M294-F315 HydrophobicContact CB-CE1 3.85Å; M294-F315 HydrophobicContact CE-CZ 4.37Å
295	V	98.1	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.8	171.3	-177.5	0	0	0	0	108	K284 V286 I321 V332 F343	K284-V295 HydrophobicContact CB-CB 4.35Å; K284-V295 PolarHBondContact N-O 3.3Å; K284-V295 PolarHBondContact O-N 2.82Å; V286-V295 HydrophobicContact CG2-CG2 4.26Å; V295-I321 HydrophobicContact CG1-CD1 3.98Å; V295-V332 HydrophobicContact CB-CG1 4.37Å; V295-V332 HydrophobicContact CG1-CG1 4Å; V295-F343 HydrophobicContact CG1-CD2 4.32Å; V295-F343 HydrophobicContact CG1-CE2 4.09Å; V295-F343 HydrophobicContact CG1-CZ 4.25Å; V295-F343 HydrophobicContact CG2-CD1 3.94Å; V295-F343 HydrophobicContact CG2-CE1 3.99Å; V295-F343 HydrophobicContact CG2-CG 4.3Å; V295-F343 HydrophobicContact CG2-CZ 4.45Å
296	V	98.1	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107	-176.7	-179.2	0	0	0	0	109.5	I275 A280 M294 Q298 S303 H304 Y306	I275-V296 HydrophobicContact CG2-CG2 4.46Å; A280-V296 HydrophobicContact CB-CG1 4.35Å; M294-V296 HydrophobicContact CB-CG2 4.5Å; M294-V296 HydrophobicContact CG-CG2 3.68Å; V296-Q298 HydrophobicContact CG1-CG 3.99Å; V296-S303 WeakPolarHBondContact O-CA 3.38Å; V296-S303 VanDerWaalsContact O-CB 3.31Å; V296-S303 WeakPolarHBondContact O-CB 3.44Å; V296-H304 PolarHBondContact N-O 2.81Å; V296-H304 PolarHBondContact O-N 3.3Å; V296-Y306 HydrophobicContact CB-CD2 4.23Å; V296-Y306 HydrophobicContact CB-CE2 3.98Å; V296-Y306 HydrophobicContact CG2-CD2 3.65Å; V296-Y306 HydrophobicContact CG2-CE2 3.76Å
297	A	97.6	Very high	95	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.8	178.3	0	0	0	0	0	111.1	A280 V281 Y282 S303 P329 V332	A280-A297 CarbonylContact C-O 3.56Å; A280-A297 WeakPolarHBondContact CA-O 3.49Å; V281-A297 PolarHBondContact N-O 3.37Å; Y282-A297 PolarHBondContact N-O 2.6Å; Y282-A297 PolarHBondContact O-N 2.86Å; A297-S303 WeakPolarHBondContact CA-OG 3.3Å; A297-P329 HydrophobicContact CB-CB 3.83Å; A297-P329 HydrophobicContact CB-CG 3.9Å; A297-V332 HydrophobicContact CB-CG2 3.7Å
298	Q	96.2	Very high	95.1	Very high	10 Å²	10	35 Å²	35	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.5	-175.5	-61.6	175.7	-124.6	0	0	112.4	R278 A280 V296 F300 G302 S303 H304 P329	R278-Q298 PolarHBondContact O-NE2 3.22Å; A280-Q298 HydrophobicContact CB-CG 4.47Å; V296-Q298 HydrophobicContact CG1-CG 3.99Å; Q298-F300 PolarHBondContact NE2-O 3.47Å; Q298-G302 WeakPolarHBondContact CB-O 3.36Å; Q298-S303 PolarHBondContact N-OG 3.44Å; Q298-H304 PolarHBondContact OE1-CD2 3.28Å; Q298-H304 VanDerWaalsContact OE1-CD2 3.31Å; Q298-P329 WeakPolarHBondContact O-CD 3.3Å; Q298-P329 WeakPolarHBondContact O-CG 3.19Å
299	L	94.9	Very high	95.1	Very high	60 Å²	60	37.9 Å²	37.9	31%	0.314	21%	0.209	S	C	.	.	S	Bend	trans	-80.3	-19.6	175.5	-66.6	173.2	0	0	0	113.9	S279 V281 K328	S279-L299 PolarHBondContact O-N 3.37Å; V281-L299 HydrophobicContact CG2-CD1 3.73Å; V281-L299 HydrophobicContact CG2-CD2 4.03Å; V281-L299 HydrophobicContact CG2-CG 3.46Å; V281-L299 VanDerWaalsContact CG2-CG 3.46Å; L299-K328 HydrophobicContact CD2-CB 4.33Å; L299-K328 HydrophobicContact CD2-CD 3.77Å; L299-K328 PolarHBondContact O-NZ 3.09Å
300	F	90.9	Very high	95	Very high	131 Å²	131	36.8 Å²	36.8	58%	0.575	20%	0.199	S	C	*	.	S	Bend	trans	-137.7	142.1	-177	-64.3	-80.3	0	0	0	109.9	Q298 G302	Q298-F300 PolarHBondContact NE2-O 3.47Å; F300-G302 VanDerWaalsContact C-N 3.29Å; F300-G302 PolarHBondContact O-N 3Å
301	G	87.8	Confident	94.9	Very high	74 Å²	74	35.5 Å²	35.5	76%	0.763	21%	0.21	S	C	*	.	S	Bend	trans	82.9	-2.6	179.1	0	0	0	0	0	115.6
302	G	91.9	Very high	94.6	Very high	15 Å²	15	36.6 Å²	36.6	16%	0.155	22%	0.218	C	C	.	.			trans	86	160.5	-175.5	0	0	0	0	0	112.4	Q298 F300 H304	Q298-G302 WeakPolarHBondContact CB-O 3.36Å; F300-G302 VanDerWaalsContact C-N 3.29Å; F300-G302 PolarHBondContact O-N 3Å; G302-H304 PolarHBondContact O-NE2 2.9Å
303	S	96.7	Very high	94.3	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.021	25%	0.249	C	C	.	.			trans	-94.5	152.3	176.6	-57.3	0	0	0	0	110.1	V296 A297 Q298 I321	V296-S303 WeakPolarHBondContact O-CA 3.38Å; V296-S303 VanDerWaalsContact O-CB 3.31Å; V296-S303 WeakPolarHBondContact O-CB 3.44Å; A297-S303 WeakPolarHBondContact CA-OG 3.3Å; Q298-S303 PolarHBondContact N-OG 3.44Å; S303-I321 WeakPolarHBondContact O-CB 3.36Å; S303-I321 PolarHBondContact O-N 2.77Å
304	H	97.3	Very high	94.2	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.093	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158	-171.6	-51.3	-56.1	0	0	0	112.1	V296 Q298 G302 Y306 K317 Q319 D320	V296-H304 PolarHBondContact N-O 2.81Å; V296-H304 PolarHBondContact O-N 3.3Å; Q298-H304 PolarHBondContact OE1-CD2 3.28Å; Q298-H304 VanDerWaalsContact OE1-CD2 3.31Å; G302-H304 PolarHBondContact O-NE2 2.9Å; H304-Y306 HydrophobicContact CB-CD2 4.39Å; H304-Y306 HydrophobicContact CB-CE2 3.7Å; H304-K317 HydrophobicContact CB-CD 4.37Å; H304-K317 HydrophobicContact CB-CG 4.35Å; H304-K317 PolarHBondContact CE1-NZ 3.14Å; H304-K317 WeakPolarHBondContact ND1-CE 3.35Å; H304-K317 PolarHBondContact ND1-NZ 2.81Å; H304-Q319 WeakPolarHBondContact CA-O 3.44Å; H304-D320 IonicContact CE1-OD1 3.65Å; H304-D320 PolarHBondContact CE1-OD1 2.7Å; H304-D320 IonicContact ND1-OD1 2.67Å; H304-D320 PolarHBondContact ND1-OD1 2.83Å
305	I	97.7	Very high	94.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.8	172.7	-50.8	178	0	0	0	108.5	M294 I318 Q319 I321 F343 F364	M294-I305 WeakPolarHBondContact O-CA 3.38Å; I305-I318 HydrophobicContact CB-CG1 4.4Å; I305-I318 HydrophobicContact CG2-CD1 4.21Å; I305-I318 HydrophobicContact CG2-CG1 4.21Å; I305-I318 WeakPolarHBondContact O-CG1 3.43Å; I305-I318 PolarHBondContact O-N 3.16Å; I305-Q319 HydrophobicContact CB-CB 4.11Å; I305-Q319 HydrophobicContact CD1-CB 4.34Å; I305-Q319 HydrophobicContact CG1-CB 4.42Å; I305-Q319 PolarHBondContact N-O 2.8Å; I305-Q319 PolarHBondContact O-N 2.83Å; I305-I321 HydrophobicContact CD1-CG1 4.42Å; I305-I321 HydrophobicContact CG1-CD1 4.14Å; I305-I321 HydrophobicContact CG1-CG1 4.09Å; I305-F343 HydrophobicContact CD1-CE1 3.76Å; I305-F343 HydrophobicContact CD1-CZ 3.93Å; I305-F364 HydrophobicContact CD1-CB 3.74Å; I305-F364 HydrophobicContact CD1-CD2 3.91Å; I305-F364 HydrophobicContact CD1-CG 4.23Å
306	Y	97.6	Very high	94	Very high	26 Å²	26	51.5 Å²	51.5	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.5	176.9	-62.5	-101.1	0	0	0	110.2	I275 Y293 M294 V296 H304 F315 I316 K317	I275-Y306 HydrophobicContact CG2-CD1 3.92Å; I275-Y306 HydrophobicContact CG2-CD2 3.97Å; I275-Y306 HydrophobicContact CG2-CE1 3.67Å; I275-Y306 HydrophobicContact CG2-CE2 3.71Å; I275-Y306 HydrophobicContact CG2-CG 4.08Å; Y293-Y306 CarbonylContact C-O 3.54Å; Y293-Y306 VanDerWaalsContact CA-O 3.23Å; Y293-Y306 WeakPolarHBondContact CA-O 3.41Å; M294-Y306 PolarHBondContact N-O 2.93Å; M294-Y306 PolarHBondContact O-N 2.89Å; V296-Y306 HydrophobicContact CB-CD2 4.23Å; V296-Y306 HydrophobicContact CB-CE2 3.98Å; V296-Y306 HydrophobicContact CG2-CD2 3.65Å; V296-Y306 HydrophobicContact CG2-CE2 3.76Å; H304-Y306 HydrophobicContact CB-CD2 4.39Å; H304-Y306 HydrophobicContact CB-CE2 3.7Å; Y306-F315 HydrophobicContact CD1-CB 4.21Å; Y306-F315 HydrophobicContact CG-CB 4.47Å; Y306-I316 CarbonylContact C-O 3.55Å; Y306-I316 VanDerWaalsContact CA-O 3.25Å; Y306-I316 WeakPolarHBondContact CA-O 3.46Å; Y306-K317 HydrophobicContact CD1-CB 3.88Å; Y306-K317 HydrophobicContact CE1-CB 3.63Å; Y306-K317 HydrophobicContact CE1-CG 4.37Å
307	K	96.8	Very high	93.9	Very high	53 Å²	53	55.8 Å²	55.8	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.1	173.1	-177.6	-174.2	173.5	-148.5	0	109	T291 Y293 E309 F315 I316 I318	T291-K307 HydrophobicContact CG2-CD 4.3Å; T291-K307 HydrophobicContact CG2-CG 3.96Å; Y293-K307 HydrophobicContact CD1-CB 3.96Å; Y293-K307 HydrophobicContact CD1-CG 4.06Å; Y293-K307 HydrophobicContact CE1-CB 3.92Å; Y293-K307 HydrophobicContact CE1-CD 3.93Å; Y293-K307 HydrophobicContact CE1-CG 3.66Å; K307-E309 WeakPolarHBondContact CD-OE1 3.41Å; K307-E309 VanDerWaalsContact CE-OE1 3.26Å; K307-E309 WeakPolarHBondContact CE-OE1 3.22Å; K307-E309 IonicContact NZ-OE1 3.35Å; K307-E309 PolarHBondContact NZ-OE1 2.82Å; K307-E309 IonicContact NZ-OE2 2.7Å; K307-F315 CarbonylContact O-C 3.58Å; K307-F315 WeakPolarHBondContact O-CA 3.38Å; K307-I316 PolarHBondContact N-O 2.98Å; K307-I316 PolarHBondContact O-N 2.96Å; K307-I318 HydrophobicContact CB-CD1 4.05Å; K307-I318 HydrophobicContact CB-CG1 4.25Å; K307-I318 HydrophobicContact CB-CG2 3.7Å; K307-I318 HydrophobicContact CD-CG2 4.48Å
308	W	95.9	Very high	93.8	Very high	26 Å²	26	58.9 Å²	58.9	10%	0.098	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.3	169.8	-176.7	-107.2	0	0	0	109.8	F241 F272 H273 L292 Q313 F315	F241-W308 AromaticContact CE1-CD1 3.96Å; F272-W308 AromaticContact CE1-CH2 3.54Å; F272-W308 HydrophobicContact CE1-CH2 3.54Å; F272-W308 HydrophobicContact CE1-CZ2 4.04Å; F272-W308 AromaticContact CE1-CZ3 3.88Å; F272-W308 HydrophobicContact CE1-CZ3 3.88Å; F272-W308 HydrophobicContact CE2-CH2 4.5Å; F272-W308 AromaticContact CZ-CH2 3.39Å; F272-W308 HydrophobicContact CZ-CH2 3.39Å; F272-W308 AromaticContact CZ-CZ2 3.58Å; F272-W308 HydrophobicContact CZ-CZ2 3.58Å; F272-W308 HydrophobicContact CZ-CZ3 4.21Å; H273-W308 AromaticContact CD2-CZ3 3.95Å; L292-W308 HydrophobicContact CB-CB 3.82Å; L292-W308 HydrophobicContact CD2-CB 4.32Å; L292-W308 HydrophobicContact CG-CB 4.27Å; L292-W308 WeakPolarHBondContact O-CB 3.48Å; L292-W308 PolarHBondContact O-N 2.8Å; W308-Q313 HydrophobicContact CH2-CB 4.37Å; W308-Q313 VanDerWaalsContact CH2-O 3.24Å; W308-Q313 WeakPolarHBondContact CH2-O 3.46Å; W308-Q313 HydrophobicContact CZ2-CB 4.24Å; W308-F315 HydrophobicContact CB-CD1 4.37Å; W308-F315 HydrophobicContact CB-CE1 3.97Å; W308-F315 HydrophobicContact CB-CZ 4.24Å; W308-F315 HydrophobicContact CD2-CE2 4.38Å; W308-F315 HydrophobicContact CE3-CD1 4.42Å; W308-F315 AromaticContact CE3-CD2 3.47Å; W308-F315 HydrophobicContact CE3-CD2 3.47Å; W308-F315 VanDerWaalsContact CE3-CD2 3.47Å; W308-F315 HydrophobicContact CE3-CE1 4.34Å; W308-F315 AromaticContact CE3-CE2 3.33Å; W308-F315 HydrophobicContact CE3-CE2 3.33Å; W308-F315 HydrophobicContact CE3-CG 4.04Å; W308-F315 AromaticContact CE3-CZ 3.83Å; W308-F315 HydrophobicContact CE3-CZ 3.83Å; W308-F315 AromaticContact CZ3-CD2 3.76Å; W308-F315 HydrophobicContact CZ3-CD2 3.76Å; W308-F315 AromaticContact CZ3-CE2 3.74Å; W308-F315 HydrophobicContact CZ3-CE2 3.74Å
309	E	94.4	Very high	93.9	Very high	63 Å²	63	60.4 Å²	60.4	29%	0.294	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.9	175.1	-70.1	-72.6	166.9	0	0	108.7	K307 G311 P312 Q313 R314 I316	K307-E309 WeakPolarHBondContact CD-OE1 3.41Å; K307-E309 VanDerWaalsContact CE-OE1 3.26Å; K307-E309 WeakPolarHBondContact CE-OE1 3.22Å; K307-E309 IonicContact NZ-OE1 3.35Å; K307-E309 PolarHBondContact NZ-OE1 2.82Å; K307-E309 IonicContact NZ-OE2 2.7Å; E309-G311 PolarHBondContact O-N 3.11Å; E309-P312 HydrophobicContact CB-CG 3.54Å; E309-P312 WeakPolarHBondContact O-CD 3.47Å; E309-Q313 WeakPolarHBondContact O-CA 3.22Å; E309-Q313 PolarHBondContact O-N 3.36Å; E309-R314 PolarHBondContact N-O 2.79Å; E309-R314 VanDerWaalsContact N-O 3.11Å; E309-R314 PolarHBondContact O-N 2.98Å; E309-I316 HydrophobicContact CB-CD1 4.16Å; E309-I316 HydrophobicContact CB-CG1 4.35Å; E309-I316 HydrophobicContact CG-CB 4.48Å; E309-I316 HydrophobicContact CG-CD1 3.66Å; E309-I316 HydrophobicContact CG-CG1 3.89Å
310	E	87.9	Confident	93.9	Very high	124 Å²	124	62 Å²	62	58%	0.579	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.8	-175	-69.2	-175.6	173.3	0	0	112.8	Q313	E310-Q313 WeakPolarHBondContact O-CG 3.49Å; E310-Q313 PolarHBondContact O-N 3.03Å
311	G	87.6	Confident	94.1	Very high	76 Å²	76	56 Å²	56	78%	0.784	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-59.3	179.8	0	0	0	0	0	113.2	E309 Q313	E309-G311 PolarHBondContact O-N 3.11Å; G311-Q313 VanDerWaalsContact C-N 3.25Å; G311-Q313 PolarHBondContact O-N 2.8Å
312	P	87.2	Confident	94.2	Very high	66 Å²	66	55.3 Å²	55.3	43%	0.429	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.4	176.6	35	-37.9	0	0	0	113.8	E309 R314 I316	E309-P312 HydrophobicContact CB-CG 3.54Å; E309-P312 WeakPolarHBondContact O-CD 3.47Å; P312-R314 VanDerWaalsContact C-N 3.26Å; P312-R314 HydrophobicContact CB-CG 3.92Å; P312-R314 HydrophobicContact CG-CG 4Å; P312-R314 PolarHBondContact O-N 3.36Å; P312-I316 HydrophobicContact CG-CD1 4.38Å
313	Q	90.5	Very high	94.1	Very high	143 Å²	143	58.3 Å²	58.3	67%	0.668	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	47.2	-176.8	-62.4	-173.6	-14.9	0	0	113.3	W308 E309 E310 G311	W308-Q313 HydrophobicContact CH2-CB 4.37Å; W308-Q313 VanDerWaalsContact CH2-O 3.24Å; W308-Q313 WeakPolarHBondContact CH2-O 3.46Å; W308-Q313 HydrophobicContact CZ2-CB 4.24Å; E309-Q313 WeakPolarHBondContact O-CA 3.22Å; E309-Q313 PolarHBondContact O-N 3.36Å; E310-Q313 WeakPolarHBondContact O-CG 3.49Å; E310-Q313 PolarHBondContact O-N 3.03Å; G311-Q313 VanDerWaalsContact C-N 3.25Å; G311-Q313 PolarHBondContact O-N 2.8Å
314	R	94.4	Very high	93.6	Very high	125 Å²	125	63.5 Å²	63.5	47%	0.472	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.4	-177.6	73.2	-171.6	179.7	97.3	-1.7	112.1	E309 P312 I316	E309-R314 PolarHBondContact N-O 2.79Å; E309-R314 VanDerWaalsContact N-O 3.11Å; E309-R314 PolarHBondContact O-N 2.98Å; P312-R314 VanDerWaalsContact C-N 3.26Å; P312-R314 HydrophobicContact CB-CG 3.92Å; P312-R314 HydrophobicContact CG-CG 4Å; P312-R314 PolarHBondContact O-N 3.36Å; R314-I316 HydrophobicContact CG-CG1 4.28Å
315	F	96.4	Very high	93.3	Very high	13 Å²	13	67.3 Å²	67.3	6%	0.057	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.3	167.2	-78.7	-81.9	0	0	0	111.2	L259 H273 I275 L292 M294 Y306 K307 W308	L259-F315 HydrophobicContact CD2-CD2 4.44Å; L259-F315 HydrophobicContact CD2-CE2 3.41Å; L259-F315 VanDerWaalsContact CD2-CE2 3.41Å; L259-F315 HydrophobicContact CD2-CZ 3.83Å; H273-F315 AromaticContact CE1-CD2 3.78Å; H273-F315 AromaticContact ND1-CD2 3.61Å; I275-F315 HydrophobicContact CD1-CB 4.11Å; I275-F315 HydrophobicContact CD1-CD1 4Å; I275-F315 HydrophobicContact CD1-CD2 3.71Å; I275-F315 HydrophobicContact CD1-CE1 4.36Å; I275-F315 HydrophobicContact CD1-CE2 4.12Å; I275-F315 HydrophobicContact CD1-CG 3.64Å; I275-F315 HydrophobicContact CD1-CZ 4.4Å; I275-F315 HydrophobicContact CG1-CB 3.98Å; I275-F315 HydrophobicContact CG1-CD2 3.77Å; I275-F315 HydrophobicContact CG1-CE2 4.49Å; I275-F315 HydrophobicContact CG1-CG 3.89Å; L292-F315 HydrophobicContact CD2-CE1 4.24Å; L292-F315 HydrophobicContact CD2-CZ 3.64Å; L292-F315 HydrophobicContact CG-CE1 4.17Å; L292-F315 HydrophobicContact CG-CZ 4.06Å; M294-F315 HydrophobicContact CB-CD1 4.24Å; M294-F315 HydrophobicContact CB-CE1 3.85Å; M294-F315 HydrophobicContact CE-CZ 4.37Å; Y306-F315 HydrophobicContact CD1-CB 4.21Å; Y306-F315 HydrophobicContact CG-CB 4.47Å; K307-F315 CarbonylContact O-C 3.58Å; K307-F315 WeakPolarHBondContact O-CA 3.38Å; W308-F315 HydrophobicContact CB-CD1 4.37Å; W308-F315 HydrophobicContact CB-CE1 3.97Å; W308-F315 HydrophobicContact CB-CZ 4.24Å; W308-F315 HydrophobicContact CD2-CE2 4.38Å; W308-F315 HydrophobicContact CE3-CD1 4.42Å; W308-F315 AromaticContact CE3-CD2 3.47Å; W308-F315 HydrophobicContact CE3-CD2 3.47Å; W308-F315 VanDerWaalsContact CE3-CD2 3.47Å; W308-F315 HydrophobicContact CE3-CE1 4.34Å; W308-F315 AromaticContact CE3-CE2 3.33Å; W308-F315 HydrophobicContact CE3-CE2 3.33Å; W308-F315 HydrophobicContact CE3-CG 4.04Å; W308-F315 AromaticContact CE3-CZ 3.83Å; W308-F315 HydrophobicContact CE3-CZ 3.83Å; W308-F315 AromaticContact CZ3-CD2 3.76Å; W308-F315 HydrophobicContact CZ3-CD2 3.76Å; W308-F315 AromaticContact CZ3-CE2 3.74Å; W308-F315 HydrophobicContact CZ3-CE2 3.74Å
316	I	96	Very high	93.1	Very high	53 Å²	53	67.6 Å²	67.6	27%	0.272	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.7	172.1	-53	-166.4	0	0	0	108.3	Y306 K307 E309 P312 R314 I318	Y306-I316 CarbonylContact C-O 3.55Å; Y306-I316 VanDerWaalsContact CA-O 3.25Å; Y306-I316 WeakPolarHBondContact CA-O 3.46Å; K307-I316 PolarHBondContact N-O 2.98Å; K307-I316 PolarHBondContact O-N 2.96Å; E309-I316 HydrophobicContact CB-CD1 4.16Å; E309-I316 HydrophobicContact CB-CG1 4.35Å; E309-I316 HydrophobicContact CG-CB 4.48Å; E309-I316 HydrophobicContact CG-CD1 3.66Å; E309-I316 HydrophobicContact CG-CG1 3.89Å; P312-I316 HydrophobicContact CG-CD1 4.38Å; R314-I316 HydrophobicContact CG-CG1 4.28Å; I316-I318 PolarHBondContact O-N 3.03Å
317	K	96.6	Very high	93	Very high	89 Å²	89	72.2 Å²	72.2	39%	0.387	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	119.3	171.3	180	-176.7	168.3	-176	0	108.4	H304 Y306 D320	H304-K317 HydrophobicContact CB-CD 4.37Å; H304-K317 HydrophobicContact CB-CG 4.35Å; H304-K317 PolarHBondContact CE1-NZ 3.14Å; H304-K317 WeakPolarHBondContact ND1-CE 3.35Å; H304-K317 PolarHBondContact ND1-NZ 2.81Å; Y306-K317 HydrophobicContact CD1-CB 3.88Å; Y306-K317 HydrophobicContact CE1-CB 3.63Å; Y306-K317 HydrophobicContact CE1-CG 4.37Å; K317-D320 VanDerWaalsContact CE-CG 3.48Å; K317-D320 WeakPolarHBondContact CE-OD1 3.46Å; K317-D320 VanDerWaalsContact CE-OD2 3.3Å; K317-D320 WeakPolarHBondContact CE-OD2 3.34Å; K317-D320 IonicContact NZ-OD1 3.66Å; K317-D320 PolarHBondContact NZ-OD1 2.88Å; K317-D320 IonicContact NZ-OD2 2.66Å; K317-D320 PolarHBondContact NZ-OD2 2.89Å
318	I	96.1	Very high	93	Very high	67 Å²	67	73.2 Å²	73.2	34%	0.344	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-23	180	57	158.6	0	0	0	112.8	Y293 I305 K307 I316	Y293-I318 HydrophobicContact CD1-CD1 3.88Å; Y293-I318 HydrophobicContact CE1-CD1 3.78Å; I305-I318 HydrophobicContact CB-CG1 4.4Å; I305-I318 HydrophobicContact CG2-CD1 4.21Å; I305-I318 HydrophobicContact CG2-CG1 4.21Å; I305-I318 WeakPolarHBondContact O-CG1 3.43Å; I305-I318 PolarHBondContact O-N 3.16Å; K307-I318 HydrophobicContact CB-CD1 4.05Å; K307-I318 HydrophobicContact CB-CG1 4.25Å; K307-I318 HydrophobicContact CB-CG2 3.7Å; K307-I318 HydrophobicContact CD-CG2 4.48Å; I316-I318 PolarHBondContact O-N 3.03Å
319	Q	96.6	Very high	93.1	Very high	41 Å²	41	72 Å²	72	19%	0.192	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.3	-173.8	-163.2	174.9	-1.3	0	0	113.1	H304 I305 F364	H304-Q319 WeakPolarHBondContact CA-O 3.44Å; I305-Q319 HydrophobicContact CB-CB 4.11Å; I305-Q319 HydrophobicContact CD1-CB 4.34Å; I305-Q319 HydrophobicContact CG1-CB 4.42Å; I305-Q319 PolarHBondContact N-O 2.8Å; I305-Q319 PolarHBondContact O-N 2.83Å; Q319-F364 PolarHBondContact NE2-O 2.99Å; Q319-F364 PolarHBondContact OE1-O 2.95Å
320	D	96	Very high	93.2	Very high	94 Å²	94	72.3 Å²	72.3	50%	0.503	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.5	167.2	-74.6	-72.7	0	0	0	110.7	H304 K317	H304-D320 IonicContact CE1-OD1 3.65Å; H304-D320 PolarHBondContact CE1-OD1 2.7Å; H304-D320 IonicContact ND1-OD1 2.67Å; H304-D320 PolarHBondContact ND1-OD1 2.83Å; K317-D320 VanDerWaalsContact CE-CG 3.48Å; K317-D320 WeakPolarHBondContact CE-OD1 3.46Å; K317-D320 VanDerWaalsContact CE-OD2 3.3Å; K317-D320 WeakPolarHBondContact CE-OD2 3.34Å; K317-D320 IonicContact NZ-OD1 3.66Å; K317-D320 PolarHBondContact NZ-OD1 2.88Å; K317-D320 IonicContact NZ-OD2 2.66Å; K317-D320 PolarHBondContact NZ-OD2 2.89Å
321	I	95.1	Very high	93.7	Very high	6 Å²	6	67.2 Å²	67.2	3%	0.031	34%	0.342	C	S	.	.			trans	-86.3	135.5	171.6	-64.3	176.2	0	0	0	108.3	V295 S303 I305 T323 V326 F343 Y357	V295-I321 HydrophobicContact CG1-CD1 3.98Å; S303-I321 WeakPolarHBondContact O-CB 3.36Å; S303-I321 PolarHBondContact O-N 2.77Å; I305-I321 HydrophobicContact CD1-CG1 4.42Å; I305-I321 HydrophobicContact CG1-CD1 4.14Å; I305-I321 HydrophobicContact CG1-CG1 4.09Å; I321-T323 PolarHBondContact O-N 3.31Å; I321-V326 HydrophobicContact CG2-CB 4.11Å; I321-V326 HydrophobicContact CG2-CG2 4.06Å; I321-F343 HydrophobicContact CD1-CE2 4.31Å; I321-F343 HydrophobicContact CD1-CZ 4.14Å; I321-Y357 HydrophobicContact CG2-CE1 4.35Å; I321-Y357 HydrophobicContact CG2-CE2 4.3Å; I321-Y357 WeakPolarHBondContact CG2-OH 3.18Å
322	D	90.5	Very high	94.2	Very high	58 Å²	58	63.6 Å²	63.6	31%	0.31	31%	0.305	S	S	.	.			trans	-58.8	108.4	-174.9	-178.1	0.3	0	0	0	112	N324 R325 V326	D322-N324 PolarHBondContact O-N 3.21Å; D322-N324 VanDerWaalsContact OD1-CB 3.29Å; D322-N324 WeakPolarHBondContact OD1-CB 3.11Å; D322-N324 PolarHBondContact OD1-N 2.98Å; D322-R325 HydrophobicContact CB-CB 4.48Å; D322-R325 HydrophobicContact CB-CG 4.45Å; D322-R325 PolarHBondContact O-N 3.4Å; D322-R325 VanDerWaalsContact O-N 3.16Å; D322-R325 WeakPolarHBondContact OD2-CD 3.41Å; D322-R325 WeakPolarHBondContact OD2-CG 3.5Å; D322-R325 IonicContact OD2-NE 3.48Å; D322-R325 PolarHBondContact OD2-NE 2.73Å; D322-V326 PolarHBondContact O-N 2.87Å
323	T	88.4	Confident	94.6	Very high	78 Å²	78	61.4 Å²	61.4	48%	0.479	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.2	-178.8	55.6	0	0	0	0	113.4	I321 V326 R327	I321-T323 PolarHBondContact O-N 3.31Å; T323-V326 WeakPolarHBondContact CA-O 3.35Å; T323-R327 VanDerWaalsContact O-CG 3.27Å; T323-R327 WeakPolarHBondContact O-CG 3.07Å
324	N	87.4	Confident	94.9	Very high	113 Å²	113	56 Å²	56	60%	0.604	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-32.5	174.6	-65.1	-46	0	0	0	111.2	D322	D322-N324 PolarHBondContact O-N 3.21Å; D322-N324 VanDerWaalsContact OD1-CB 3.29Å; D322-N324 WeakPolarHBondContact OD1-CB 3.11Å; D322-N324 PolarHBondContact OD1-N 2.98Å
325	R	89.6	Confident	95	Very high	99 Å²	99	50.4 Å²	50.4	37%	0.374	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-46.2	179	-64.5	179.9	-167.4	-135.4	-3.2	112.4	D322 G352 S353 S366	D322-R325 HydrophobicContact CB-CB 4.48Å; D322-R325 HydrophobicContact CB-CG 4.45Å; D322-R325 PolarHBondContact O-N 3.4Å; D322-R325 VanDerWaalsContact O-N 3.16Å; D322-R325 WeakPolarHBondContact OD2-CD 3.41Å; D322-R325 WeakPolarHBondContact OD2-CG 3.5Å; D322-R325 IonicContact OD2-NE 3.48Å; D322-R325 PolarHBondContact OD2-NE 2.73Å; R325-G352 CarbonylContact O-C 3.51Å; R325-G352 WeakPolarHBondContact O-CA 3.26Å; R325-S353 PolarHBondContact O-N 2.87Å; R325-S366 PolarHBondContact NH1-OG 3Å
326	V	94.7	Very high	94.9	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.036	26%	0.263	C	S	.	.			trans	-110.1	107.6	-178.3	-179.1	0	0	0	0	109	I321 D322 T323 P329 V345 D347 Y357	I321-V326 HydrophobicContact CG2-CB 4.11Å; I321-V326 HydrophobicContact CG2-CG2 4.06Å; D322-V326 PolarHBondContact O-N 2.87Å; T323-V326 WeakPolarHBondContact CA-O 3.35Å; V326-P329 HydrophobicContact CG1-CB 3.87Å; V326-P329 HydrophobicContact CG1-CG 4.22Å; V326-V345 HydrophobicContact CG1-CB 4.47Å; V326-V345 HydrophobicContact CG1-CG1 3.75Å; V326-V345 HydrophobicContact CG2-CB 4.34Å; V326-V345 HydrophobicContact CG2-CG1 4.49Å; V326-D347 WeakPolarHBondContact CA-OD2 3.13Å; V326-Y357 HydrophobicContact CG2-CE2 4.36Å
327	R	94.6	Very high	94.8	Very high	124 Å²	124	51.4 Å²	51.4	47%	0.468	25%	0.251	S	S	.	.	S	Bend	trans	-111.8	-43.1	-175.9	-68.2	-176.8	175	-146.5	-3.5	113.1	T323 D347	T323-R327 VanDerWaalsContact O-CG 3.27Å; T323-R327 WeakPolarHBondContact O-CG 3.07Å; R327-D347 PolarHBondContact N-OD2 2.9Å
328	K	96.9	Very high	94.4	Very high	73 Å²	73	50.8 Å²	50.8	32%	0.317	25%	0.252	S	S	.	.	S	Bend	trans	-133.2	69.7	-178.4	-65.4	-67	173.7	-168.4	0	110	L299 D347 S348	L299-K328 HydrophobicContact CD2-CB 4.33Å; L299-K328 HydrophobicContact CD2-CD 3.77Å; L299-K328 PolarHBondContact O-NZ 3.09Å; K328-D347 PolarHBondContact N-OD1 2.94Å; K328-D347 PolarHBondContact N-OD2 3.49Å; K328-S348 WeakPolarHBondContact CB-OG 3.38Å; K328-S348 PolarHBondContact O-N 3.45Å; K328-S348 PolarHBondContact O-OG 2.85Å
329	P	97.4	Very high	94.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139	-179	31.4	-37.7	0	0	0	110.5	A297 Q298 V326 V345 A346	A297-P329 HydrophobicContact CB-CB 3.83Å; A297-P329 HydrophobicContact CB-CG 3.9Å; Q298-P329 WeakPolarHBondContact O-CD 3.3Å; Q298-P329 WeakPolarHBondContact O-CG 3.19Å; V326-P329 HydrophobicContact CG1-CB 3.87Å; V326-P329 HydrophobicContact CG1-CG 4.22Å; P329-V345 HydrophobicContact CB-CG1 3.48Å; P329-V345 VanDerWaalsContact CB-CG1 3.48Å; P329-A346 WeakPolarHBondContact CA-O 3.49Å
330	N	97.3	Very high	93.9	Very high	69 Å²	69	55.4 Å²	55.4	37%	0.369	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-34	179.4	-163.6	70.2	0	0	0	113	A346 T377	N330-A346 PolarHBondContact N-O 2.85Å; N330-T377 PolarHBondContact ND2-O 2.9Å
331	F	98	Very high	93.9	Very high	18 Å²	18	54.4 Å²	54.4	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.6	-178.7	-165.7	-96.8	0	0	0	110.5	Y282 D333 A346 H378 V379	Y282-F331 HydrophobicContact CD2-CD2 4Å; Y282-F331 HydrophobicContact CD2-CE2 4.4Å; Y282-F331 AromaticContact CE2-CD2 3.33Å; Y282-F331 HydrophobicContact CE2-CD2 3.33Å; Y282-F331 AromaticContact CE2-CE2 3.34Å; Y282-F331 HydrophobicContact CE2-CE2 3.34Å; Y282-F331 HydrophobicContact CE2-CG 4.2Å; Y282-F331 HydrophobicContact CE2-CZ 4.2Å; Y282-F331 AromaticContact CZ-CD2 3.92Å; Y282-F331 AromaticContact CZ-CE2 3.5Å; Y282-F331 AromaticContact CZ-CZ 3.94Å; Y282-F331 WeakPolarHBondContact OH-CE2 3.17Å; Y282-F331 WeakPolarHBondContact OH-CZ 3.32Å; F331-D333 HydrophobicContact CD1-CB 4.39Å; F331-D333 HydrophobicContact CE1-CB 3.94Å; F331-A346 HydrophobicContact CB-CB 4.2Å; F331-A346 PolarHBondContact O-N 2.87Å; F331-H378 AromaticContact CD1-CD2 3.73Å; F331-H378 AromaticContact CD1-NE2 3.87Å; F331-H378 AromaticContact CD2-CD2 3.57Å; F331-H378 AromaticContact CE1-CD2 3.82Å; F331-H378 AromaticContact CE1-NE2 3.47Å; F331-H378 WeakPolarHBondContact CE1-NE2 3.4Å; F331-H378 AromaticContact CE2-CD2 3.67Å; F331-H378 AromaticContact CE2-NE2 3.65Å; F331-H378 AromaticContact CG-CD2 3.61Å; F331-H378 AromaticContact CZ-CD2 3.82Å; F331-H378 AromaticContact CZ-NE2 3.37Å; F331-H378 WeakPolarHBondContact CZ-NE2 3.43Å; F331-V379 HydrophobicContact CD1-CG1 3.93Å
332	V	98.1	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.5	175.4	-176.4	0	0	0	0	108.5	Y282 K284 V295 A297 F343 V344 V345	Y282-V332 HydrophobicContact CD1-CB 3.95Å; Y282-V332 HydrophobicContact CD1-CG2 4.43Å; Y282-V332 HydrophobicContact CG-CB 4.28Å; Y282-V332 HydrophobicContact CG-CG2 4.35Å; K284-V332 HydrophobicContact CB-CB 4.05Å; K284-V332 HydrophobicContact CB-CG1 3.76Å; K284-V332 HydrophobicContact CG-CG1 4.09Å; V295-V332 HydrophobicContact CB-CG1 4.37Å; V295-V332 HydrophobicContact CG1-CG1 4Å; A297-V332 HydrophobicContact CB-CG2 3.7Å; V332-F343 HydrophobicContact CG1-CD2 4.41Å; V332-V344 WeakPolarHBondContact CA-O 3.42Å; V332-V345 HydrophobicContact CG2-CG1 4.26Å; V332-V345 HydrophobicContact CG2-CG2 4.24Å
333	D	96.9	Very high	94.3	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.107	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157.8	173.2	-156.9	12.5	0	0	0	111.2	K284 F331 F343 V344 V379 F381	K284-D333 IonicContact NZ-OD1 2.65Å; F331-D333 HydrophobicContact CD1-CB 4.39Å; F331-D333 HydrophobicContact CE1-CB 3.94Å; D333-F343 CarbonylContact O-C 3.5Å; D333-F343 WeakPolarHBondContact O-CA 3.46Å; D333-F343 WeakPolarHBondContact O-CB 3.48Å; D333-V344 HydrophobicContact CB-CG1 3.84Å; D333-V344 PolarHBondContact N-O 2.84Å; D333-V344 PolarHBondContact O-N 2.81Å; D333-V379 HydrophobicContact CB-CG1 4.18Å; D333-F381 PolarHBondContact OD2-N 2.89Å
334	T	96.9	Very high	94.8	Very high	29 Å²	29	47.7 Å²	47.7	18%	0.178	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.7	-175.2	52.9	0	0	0	0	110.1	K284 V286 Y342 F343	K284-T334 HydrophobicContact CD-CG2 4.5Å; K284-T334 VanDerWaalsContact CE-OG1 3.31Å; K284-T334 WeakPolarHBondContact CE-OG1 3.25Å; K284-T334 HydrophobicContact CG-CG2 3.62Å; V286-T334 HydrophobicContact CG2-CG2 3.5Å; T334-Y342 WeakPolarHBondContact CA-O 3.26Å; T334-F343 HydrophobicContact CG2-CB 3.71Å
335	F	96.3	Very high	95.3	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.4	-178.3	49.2	-96	0	0	0	111.2	L337 Y342 V344 I356 F381 L390 F411	F335-L337 HydrophobicContact CD2-CD1 3.67Å; F335-L337 HydrophobicContact CD2-CG 3.8Å; F335-L337 HydrophobicContact CE2-CD1 3.51Å; F335-L337 HydrophobicContact CE2-CG 4.16Å; F335-Y342 HydrophobicContact CD2-CD2 4.37Å; F335-Y342 HydrophobicContact CD2-CG 4.3Å; F335-Y342 HydrophobicContact CE2-CD2 4.19Å; F335-Y342 AromaticContact CE2-CG 3.8Å; F335-Y342 HydrophobicContact CE2-CG 3.8Å; F335-Y342 PolarHBondContact N-O 3.19Å; F335-Y342 PolarHBondContact O-N 2.79Å; F335-V344 HydrophobicContact CD1-CG1 4.42Å; F335-V344 HydrophobicContact CE1-CB 4.03Å; F335-V344 HydrophobicContact CE1-CG1 3.69Å; F335-I356 HydrophobicContact CZ-CG2 4.29Å; F335-F381 HydrophobicContact CB-CB 4.17Å; F335-F381 HydrophobicContact CB-CD1 3.56Å; F335-F381 HydrophobicContact CB-CD2 3.77Å; F335-F381 HydrophobicContact CB-CE1 3.79Å; F335-F381 HydrophobicContact CB-CE2 3.99Å; F335-F381 HydrophobicContact CB-CG 3.54Å; F335-F381 HydrophobicContact CB-CZ 3.99Å; F335-F381 HydrophobicContact CD1-CB 3.87Å; F335-F381 AromaticContact CD1-CD2 3.79Å; F335-F381 HydrophobicContact CD1-CD2 3.79Å; F335-F381 AromaticContact CD1-CG 3.88Å; F335-F381 HydrophobicContact CD1-CG 3.88Å; F335-F381 AromaticContact CD2-CD2 3.93Å; F335-F381 HydrophobicContact CD2-CD2 3.93Å; F335-F381 AromaticContact CD2-CE2 3.89Å; F335-F381 HydrophobicContact CD2-CE2 3.89Å; F335-F381 HydrophobicContact CD2-CZ 4.48Å; F335-F381 HydrophobicContact CE1-CD2 4.35Å; F335-F381 HydrophobicContact CE2-CD2 4.46Å; F335-F381 HydrophobicContact CG-CB 4.24Å; F335-F381 HydrophobicContact CG-CD1 4.28Å; F335-F381 AromaticContact CG-CD2 3.55Å; F335-F381 HydrophobicContact CG-CD2 3.55Å; F335-F381 AromaticContact CG-CE2 3.9Å; F335-F381 HydrophobicContact CG-CE2 3.9Å; F335-F381 AromaticContact CG-CG 3.75Å; F335-F381 HydrophobicContact CG-CG 3.75Å; F335-F381 HydrophobicContact CG-CZ 4.39Å; F335-L390 HydrophobicContact CD1-CD2 4.28Å; F335-L390 HydrophobicContact CE1-CD1 4.41Å; F335-L390 HydrophobicContact CE1-CD2 3.76Å; F335-L390 HydrophobicContact CZ-CD1 4.18Å; F335-L390 HydrophobicContact CZ-CD2 4.24Å; F335-F411 HydrophobicContact CE2-CE2 4.12Å; F335-F411 HydrophobicContact CE2-CZ 4.39Å; F335-F411 HydrophobicContact CZ-CE2 4.17Å
336	L	94.4	Very high	95.7	Very high	82 Å²	82	37.7 Å²	37.7	43%	0.429	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.2	176	-172	74.8	0	0	0	108.7	W341	L336-W341 HydrophobicContact CD1-CD2 3.87Å; L336-W341 HydrophobicContact CD1-CG 3.9Å; L336-W341 HydrophobicContact CD1-CZ2 4.44Å
337	L	93.4	Very high	95.9	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.1	177.8	-72	175.9	0	0	0	110.2	F335 D339 E340 Y342 F381 P388 W404 F411	F335-L337 HydrophobicContact CD2-CD1 3.67Å; F335-L337 HydrophobicContact CD2-CG 3.8Å; F335-L337 HydrophobicContact CE2-CD1 3.51Å; F335-L337 HydrophobicContact CE2-CG 4.16Å; L337-D339 PolarHBondContact O-N 3.42Å; L337-E340 PolarHBondContact N-O 3.11Å; L337-E340 PolarHBondContact O-N 3.13Å; L337-Y342 HydrophobicContact CB-CD2 3.98Å; L337-Y342 HydrophobicContact CB-CE2 3.76Å; L337-Y342 HydrophobicContact CD1-CD2 4.4Å; L337-Y342 HydrophobicContact CG-CD2 4.45Å; L337-F381 HydrophobicContact CD1-CE2 4.3Å; L337-F381 HydrophobicContact CD2-CE2 3.85Å; L337-F381 HydrophobicContact CD2-CZ 3.71Å; L337-F381 HydrophobicContact CG-CE2 4.23Å; L337-F381 HydrophobicContact CG-CZ 4.34Å; L337-P388 HydrophobicContact CD2-CB 3.45Å; L337-P388 VanDerWaalsContact CD2-CB 3.45Å; L337-P388 HydrophobicContact CD2-CG 3.33Å; L337-W404 HydrophobicContact CD1-CD2 4.21Å; L337-W404 HydrophobicContact CD1-CE3 4.23Å; L337-W404 HydrophobicContact CD1-CZ3 4.43Å; L337-F411 HydrophobicContact CD1-CE2 3.92Å; L337-F411 HydrophobicContact CD1-CZ 3.77Å
338	D	88.7	Confident	96	Very high	75 Å²	75	33.2 Å²	33.2	40%	0.401	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	44.8	178.6	-57.3	-44.1	0	0	0	111.7	E340 W404 R406	D338-E340 PolarHBondContact O-N 2.68Å; D338-E340 VanDerWaalsContact O-N 3.16Å; D338-W404 PolarHBondContact OD2-NE1 3.42Å; D338-R406 IonicContact OD1-NH1 3.82Å
339	D	88.3	Confident	96	Very high	153 Å²	153	30.8 Å²	30.8	82%	0.818	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	12.1	-175.8	-57.3	-46.7	0	0	0	116.2	L337	L337-D339 PolarHBondContact O-N 3.42Å
340	E	92.6	Very high	95.9	Very high	53 Å²	53	36.6 Å²	36.6	25%	0.248	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.9	173.8	-66.2	-176.6	129.3	0	0	110.6	L337 D338 Y342 R358 K409	L337-E340 PolarHBondContact N-O 3.11Å; L337-E340 PolarHBondContact O-N 3.13Å; D338-E340 PolarHBondContact O-N 2.68Å; D338-E340 VanDerWaalsContact O-N 3.16Å; E340-Y342 HydrophobicContact CB-CD2 4.42Å; E340-Y342 HydrophobicContact CB-CE2 3.57Å; E340-Y342 WeakPolarHBondContact O-CD2 3.32Å; E340-Y342 VanDerWaalsContact O-CE2 3.31Å; E340-Y342 WeakPolarHBondContact O-CE2 3.39Å; E340-Y342 PolarHBondContact OE2-OH 3.3Å; E340-R358 IonicContact OE1-CZ 3.97Å; E340-R358 IonicContact OE1-NH1 2.76Å; E340-R358 PolarHBondContact OE1-NH1 2.79Å; E340-R358 IonicContact OE2-NH1 3.49Å; E340-K409 IonicContact OE2-NZ 3.78Å
341	W	96.1	Very high	95.8	Very high	73 Å²	73	35.8 Å²	35.8	28%	0.277	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.9	175.6	-81.1	99.3	0	0	0	111.3	V286 I288 L336 W359 F364	V286-W341 HydrophobicContact CG1-CD2 4.44Å; V286-W341 HydrophobicContact CG1-CE3 4.09Å; V286-W341 HydrophobicContact CG1-CZ3 4.37Å; I288-W341 HydrophobicContact CD1-CB 3.83Å; I288-W341 HydrophobicContact CD1-CD2 4.47Å; I288-W341 HydrophobicContact CD1-CG 3.79Å; I288-W341 HydrophobicContact CG1-CB 4.48Å; I288-W341 HydrophobicContact CG1-CD2 4.23Å; I288-W341 HydrophobicContact CG1-CG 3.9Å; L336-W341 HydrophobicContact CD1-CD2 3.87Å; L336-W341 HydrophobicContact CD1-CG 3.9Å; L336-W341 HydrophobicContact CD1-CZ2 4.44Å; W341-W359 HydrophobicContact CB-CB 3.73Å; W341-W359 HydrophobicContact CB-CG 4.36Å; W341-W359 VanDerWaalsContact O-CB 3.29Å; W341-W359 WeakPolarHBondContact O-CB 3.26Å; W341-W359 PolarHBondContact O-N 3.24Å; W341-F364 HydrophobicContact CB-CE1 4.38Å
342	Y	97.6	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.1	174.3	-63	-99.9	0	0	0	110.3	T334 F335 L337 E340 I356 Y357 R358 H367	T334-Y342 WeakPolarHBondContact CA-O 3.26Å; F335-Y342 HydrophobicContact CD2-CD2 4.37Å; F335-Y342 HydrophobicContact CD2-CG 4.3Å; F335-Y342 HydrophobicContact CE2-CD2 4.19Å; F335-Y342 AromaticContact CE2-CG 3.8Å; F335-Y342 HydrophobicContact CE2-CG 3.8Å; F335-Y342 PolarHBondContact N-O 3.19Å; F335-Y342 PolarHBondContact O-N 2.79Å; L337-Y342 HydrophobicContact CB-CD2 3.98Å; L337-Y342 HydrophobicContact CB-CE2 3.76Å; L337-Y342 HydrophobicContact CD1-CD2 4.4Å; L337-Y342 HydrophobicContact CG-CD2 4.45Å; E340-Y342 HydrophobicContact CB-CD2 4.42Å; E340-Y342 HydrophobicContact CB-CE2 3.57Å; E340-Y342 WeakPolarHBondContact O-CD2 3.32Å; E340-Y342 VanDerWaalsContact O-CE2 3.31Å; E340-Y342 WeakPolarHBondContact O-CE2 3.39Å; E340-Y342 PolarHBondContact OE2-OH 3.3Å; Y342-I356 HydrophobicContact CD1-CG2 3.86Å; Y342-Y357 CarbonylContact C-O 3.49Å; Y342-Y357 WeakPolarHBondContact CA-O 3.4Å; Y342-R358 HydrophobicContact CD1-CB 3.74Å; Y342-R358 HydrophobicContact CD1-CG 3.95Å; Y342-R358 HydrophobicContact CE1-CB 3.51Å; Y342-R358 HydrophobicContact CE1-CG 3.41Å; Y342-R358 VanDerWaalsContact CE1-CG 3.41Å; Y342-R358 HydrophobicContact CE2-CG 4.37Å; Y342-R358 VanDerWaalsContact OH-CD 3.25Å; Y342-R358 WeakPolarHBondContact OH-CD 3.28Å; Y342-H367 AromaticContact CE1-CD2 3.97Å
343	F	97.6	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.7	159.3	74	-103.8	0	0	0	110.4	V295 I305 I321 V332 D333 T334 V345 I356 Y357 F364	V295-F343 HydrophobicContact CG1-CD2 4.32Å; V295-F343 HydrophobicContact CG1-CE2 4.09Å; V295-F343 HydrophobicContact CG1-CZ 4.25Å; V295-F343 HydrophobicContact CG2-CD1 3.94Å; V295-F343 HydrophobicContact CG2-CE1 3.99Å; V295-F343 HydrophobicContact CG2-CG 4.3Å; V295-F343 HydrophobicContact CG2-CZ 4.45Å; I305-F343 HydrophobicContact CD1-CE1 3.76Å; I305-F343 HydrophobicContact CD1-CZ 3.93Å; I321-F343 HydrophobicContact CD1-CE2 4.31Å; I321-F343 HydrophobicContact CD1-CZ 4.14Å; V332-F343 HydrophobicContact CG1-CD2 4.41Å; D333-F343 CarbonylContact O-C 3.5Å; D333-F343 WeakPolarHBondContact O-CA 3.46Å; D333-F343 WeakPolarHBondContact O-CB 3.48Å; T334-F343 HydrophobicContact CG2-CB 3.71Å; F343-V345 HydrophobicContact CD2-CG2 3.78Å; F343-V345 HydrophobicContact CE2-CG2 3.57Å; F343-I356 CarbonylContact O-C 3.45Å; F343-I356 WeakPolarHBondContact O-CA 3.49Å; F343-Y357 AromaticContact CD2-CD2 3.92Å; F343-Y357 HydrophobicContact CD2-CD2 3.92Å; F343-Y357 HydrophobicContact CD2-CG 4.38Å; F343-Y357 HydrophobicContact CE1-CG 4.13Å; F343-Y357 AromaticContact CE2-CD2 3.21Å; F343-Y357 HydrophobicContact CE2-CD2 3.21Å; F343-Y357 AromaticContact CE2-CE2 3.9Å; F343-Y357 HydrophobicContact CE2-CE2 3.9Å; F343-Y357 AromaticContact CE2-CG 3.62Å; F343-Y357 HydrophobicContact CE2-CG 3.62Å; F343-Y357 HydrophobicContact CZ-CD1 4.1Å; F343-Y357 AromaticContact CZ-CD2 3.59Å; F343-Y357 HydrophobicContact CZ-CD2 3.59Å; F343-Y357 HydrophobicContact CZ-CE2 4.35Å; F343-Y357 AromaticContact CZ-CG 3.46Å; F343-Y357 HydrophobicContact CZ-CG 3.46Å; F343-Y357 VanDerWaalsContact CZ-CG 3.46Å; F343-Y357 PolarHBondContact N-O 2.49Å; F343-Y357 PolarHBondContact O-N 2.84Å; F343-F364 HydrophobicContact CD1-CB 4.16Å; F343-F364 AromaticContact CD1-CD1 3.44Å; F343-F364 HydrophobicContact CD1-CD1 3.44Å; F343-F364 VanDerWaalsContact CD1-CD1 3.44Å; F343-F364 HydrophobicContact CD1-CD2 4.16Å; F343-F364 AromaticContact CD1-CE1 3.68Å; F343-F364 HydrophobicContact CD1-CE1 3.68Å; F343-F364 HydrophobicContact CD1-CE2 4.34Å; F343-F364 AromaticContact CD1-CG 3.69Å; F343-F364 HydrophobicContact CD1-CG 3.69Å; F343-F364 HydrophobicContact CD1-CZ 4.1Å; F343-F364 HydrophobicContact CE1-CB 3.39Å; F343-F364 AromaticContact CE1-CD1 3.61Å; F343-F364 HydrophobicContact CE1-CD1 3.61Å; F343-F364 AromaticContact CE1-CD2 3.84Å; F343-F364 HydrophobicContact CE1-CD2 3.84Å; F343-F364 HydrophobicContact CE1-CE1 4.25Å; F343-F364 HydrophobicContact CE1-CE2 4.43Å; F343-F364 AromaticContact CE1-CG 3.37Å; F343-F364 HydrophobicContact CE1-CG 3.37Å; F343-F364 HydrophobicContact CZ-CB 4.21Å
344	V	98.4	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.5	177.8	58.4	0	0	0	0	109.3	V332 D333 F335 T354 S355 I356 V379	V332-V344 WeakPolarHBondContact CA-O 3.42Å; D333-V344 HydrophobicContact CB-CG1 3.84Å; D333-V344 PolarHBondContact N-O 2.84Å; D333-V344 PolarHBondContact O-N 2.81Å; F335-V344 HydrophobicContact CD1-CG1 4.42Å; F335-V344 HydrophobicContact CE1-CB 4.03Å; F335-V344 HydrophobicContact CE1-CG1 3.69Å; V344-T354 HydrophobicContact CG2-CG2 3.58Å; V344-S355 WeakPolarHBondContact CA-O 3.42Å; V344-I356 HydrophobicContact CB-CG1 4.22Å; V344-I356 HydrophobicContact CG2-CG1 3.96Å; V344-V379 HydrophobicContact CB-CG1 4.47Å; V344-V379 HydrophobicContact CB-CG2 4.48Å; V344-V379 HydrophobicContact CG1-CB 4.24Å; V344-V379 HydrophobicContact CG1-CG1 3.55Å; V344-V379 HydrophobicContact CG1-CG2 3.65Å; V344-V379 HydrophobicContact CG2-CG1 4.21Å; V344-V379 HydrophobicContact CG2-CG2 4.06Å
345	V	98.4	Very high	95.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.9	175.7	-173.1	0	0	0	0	108.4	V326 P329 V332 F343 T354 S355 Y357	V326-V345 HydrophobicContact CG1-CB 4.47Å; V326-V345 HydrophobicContact CG1-CG1 3.75Å; V326-V345 HydrophobicContact CG2-CB 4.34Å; V326-V345 HydrophobicContact CG2-CG1 4.49Å; P329-V345 HydrophobicContact CB-CG1 3.48Å; P329-V345 VanDerWaalsContact CB-CG1 3.48Å; V332-V345 HydrophobicContact CG2-CG1 4.26Å; V332-V345 HydrophobicContact CG2-CG2 4.24Å; F343-V345 HydrophobicContact CD2-CG2 3.78Å; F343-V345 HydrophobicContact CE2-CG2 3.57Å; V345-T354 VanDerWaalsContact O-CA 3.27Å; V345-T354 WeakPolarHBondContact O-CA 3.22Å; V345-S355 PolarHBondContact N-O 2.62Å; V345-S355 PolarHBondContact O-N 2.94Å; V345-S355 VanDerWaalsContact O-N 3.09Å; V345-Y357 HydrophobicContact CG2-CE2 4.44Å
346	A	98.3	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.9	172.9	0	0	0	0	0	109.8	P329 N330 F331 T354 D376 V379	P329-A346 WeakPolarHBondContact CA-O 3.49Å; N330-A346 PolarHBondContact N-O 2.85Å; F331-A346 HydrophobicContact CB-CB 4.2Å; F331-A346 PolarHBondContact O-N 2.87Å; A346-T354 WeakPolarHBondContact CA-OG1 3.29Å; A346-D376 HydrophobicContact CB-CB 4.28Å; A346-V379 HydrophobicContact CB-CB 4.44Å; A346-V379 HydrophobicContact CB-CG1 4.06Å
347	D	98.1	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.2	-179.9	-160.4	-66.6	0	0	0	111.9	V326 R327 K328 S349 T354 D376	V326-D347 WeakPolarHBondContact CA-OD2 3.13Å; R327-D347 PolarHBondContact N-OD2 2.9Å; K328-D347 PolarHBondContact N-OD1 2.94Å; K328-D347 PolarHBondContact N-OD2 3.49Å; D347-S349 VanDerWaalsContact C-N 3.31Å; D347-S349 PolarHBondContact O-N 2.7Å; D347-S349 WeakPolarHBondContact OD1-CA 3.47Å; D347-S349 VanDerWaalsContact OD1-CB 3.25Å; D347-S349 WeakPolarHBondContact OD1-CB 3.36Å; D347-S349 PolarHBondContact OD1-N 3.04Å; D347-S349 PolarHBondContact OD1-OG 2.77Å; D347-T354 PolarHBondContact N-OG1 3.49Å; D347-D376 CarbonylContact C-O 3.58Å; D347-D376 VanDerWaalsContact C-O 3.27Å; D347-D376 PolarHBondContact O-N 2.94Å
348	S	97.3	Very high	96	Very high	37 Å²	37	33 Å²	33	26%	0.259	17%	0.171	S	C	.	.			trans	-85.8	0.3	-177.3	62.6	0	0	0	0	113.9	K328 R375 D376	K328-S348 WeakPolarHBondContact CB-OG 3.38Å; K328-S348 PolarHBondContact O-N 3.45Å; K328-S348 PolarHBondContact O-OG 2.85Å; S348-R375 VanDerWaalsContact O-CB 3.3Å; S348-R375 WeakPolarHBondContact O-CB 3.23Å; S348-R375 WeakPolarHBondContact O-CG 3.48Å; S348-D376 VanDerWaalsContact CA-O 3.32Å; S348-D376 WeakPolarHBondContact CA-O 3.39Å; S348-D376 PolarHBondContact N-O 3.07Å
349	S	96.9	Very high	96.3	Very high	21 Å²	21	31 Å²	31	15%	0.147	16%	0.158	C	C	.	.	S	Bend	trans	-97.8	146	176.6	75.8	0	0	0	0	112.2	D347 A351 G352	D347-S349 VanDerWaalsContact C-N 3.31Å; D347-S349 PolarHBondContact O-N 2.7Å; D347-S349 WeakPolarHBondContact OD1-CA 3.47Å; D347-S349 VanDerWaalsContact OD1-CB 3.25Å; D347-S349 WeakPolarHBondContact OD1-CB 3.36Å; D347-S349 PolarHBondContact OD1-N 3.04Å; D347-S349 PolarHBondContact OD1-OG 2.77Å; S349-A351 VanDerWaalsContact C-N 3.26Å; S349-A351 PolarHBondContact O-N 2.83Å; S349-G352 PolarHBondContact O-N 2.84Å; S349-G352 PolarHBondContact OG-N 3Å
350	K	95.6	Very high	96.5	Very high	123 Å²	123	27.5 Å²	27.5	54%	0.535	14%	0.14	S	C	.	.	S	Bend	trans	-67.2	-26.3	175	-69.3	-168.5	170.2	-171.1	0	113.7	W373 R375	K350-W373 WeakPolarHBondContact O-CA 3.31Å; K350-R375 HydrophobicContact CG-CG 3.96Å
351	A	94.6	Very high	96.1	Very high	53 Å²	53	29.4 Å²	29.4	44%	0.438	16%	0.159	S	C	.	.	S	Bend	trans	-88.3	-20.4	-177.2	0	0	0	0	0	112.6	S349	S349-A351 VanDerWaalsContact C-N 3.26Å; S349-A351 PolarHBondContact O-N 2.83Å
352	G	94.1	Very high	95.7	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	17%	0.172	C	C	.	.	S	Bend	trans	-85.7	177.5	167.1	0	0	0	0	0	111	R325 S349	R325-G352 CarbonylContact O-C 3.51Å; R325-G352 WeakPolarHBondContact O-CA 3.26Å; S349-G352 PolarHBondContact O-N 2.84Å; S349-G352 PolarHBondContact OG-N 3Å
353	S	95.6	Very high	95.5	Very high	18 Å²	18	31 Å²	31	13%	0.126	17%	0.173	C	C	.	.			trans	-143.8	144	172.8	57.1	0	0	0	0	109.5	R325 S355 S369	R325-S353 PolarHBondContact O-N 2.87Å; S353-S355 PolarHBondContact O-N 3.35Å; S353-S355 VanDerWaalsContact O-N 3.13Å; S353-S355 PolarHBondContact O-OG 2.84Å; S353-S369 WeakPolarHBondContact OG-CB 3.4Å; S353-S369 PolarHBondContact OG-OG 3.39Å
354	T	98.1	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	121.4	172.8	-71.5	0	0	0	0	109.1	V344 V345 A346 D347 S369 L370 D376 L392	V344-T354 HydrophobicContact CG2-CG2 3.58Å; V345-T354 VanDerWaalsContact O-CA 3.27Å; V345-T354 WeakPolarHBondContact O-CA 3.22Å; A346-T354 WeakPolarHBondContact CA-OG1 3.29Å; D347-T354 PolarHBondContact N-OG1 3.49Å; T354-S369 CarbonylContact O-C 3.58Å; T354-S369 WeakPolarHBondContact O-CA 3.29Å; T354-L370 HydrophobicContact CG2-CB 4.5Å; T354-L370 PolarHBondContact N-O 3.14Å; T354-L370 PolarHBondContact O-N 2.78Å; T354-D376 VanDerWaalsContact CB-OD2 3.32Å; T354-D376 WeakPolarHBondContact CB-OD2 3.27Å; T354-D376 VanDerWaalsContact OG1-CB 3.23Å; T354-D376 WeakPolarHBondContact OG1-CB 3.28Å; T354-D376 VanDerWaalsContact OG1-CG 3.26Å; T354-D376 PolarHBondContact OG1-OD2 2.8Å; T354-L392 HydrophobicContact CG2-CD1 4.2Å; T354-L392 HydrophobicContact CG2-CD2 3.93Å
355	S	98	Very high	95.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.1	-166.1	-66.7	0	0	0	0	111	V344 V345 S353	V344-S355 WeakPolarHBondContact CA-O 3.42Å; V345-S355 PolarHBondContact N-O 2.62Å; V345-S355 PolarHBondContact O-N 2.94Å; V345-S355 VanDerWaalsContact O-N 3.09Å; S353-S355 PolarHBondContact O-N 3.35Å; S353-S355 VanDerWaalsContact O-N 3.13Å; S353-S355 PolarHBondContact O-OG 2.84Å
356	I	98.1	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.6	175.6	-57.4	174.2	0	0	0	108.5	F335 Y342 F343 V344 H367 Q368 L370 L390 F411	F335-I356 HydrophobicContact CZ-CG2 4.29Å; Y342-I356 HydrophobicContact CD1-CG2 3.86Å; F343-I356 CarbonylContact O-C 3.45Å; F343-I356 WeakPolarHBondContact O-CA 3.49Å; V344-I356 HydrophobicContact CB-CG1 4.22Å; V344-I356 HydrophobicContact CG2-CG1 3.96Å; I356-H367 HydrophobicContact CG2-CB 4.28Å; I356-H367 PolarHBondContact O-N 3.3Å; I356-Q368 HydrophobicContact CB-CB 4.38Å; I356-Q368 HydrophobicContact CD1-CB 4.37Å; I356-Q368 PolarHBondContact N-O 2.88Å; I356-Q368 PolarHBondContact O-N 3.39Å; I356-L370 HydrophobicContact CD1-CD1 3.81Å; I356-L370 HydrophobicContact CD1-CG 4.2Å; I356-L370 HydrophobicContact CG1-CD1 4.4Å; I356-L390 HydrophobicContact CD1-CD1 3.65Å; I356-L390 HydrophobicContact CG1-CD1 4.4Å; I356-F411 HydrophobicContact CD1-CD2 3.48Å; I356-F411 VanDerWaalsContact CD1-CD2 3.48Å; I356-F411 HydrophobicContact CD1-CE2 4.02Å; I356-F411 HydrophobicContact CD1-CG 4.34Å
357	Y	97.5	Very high	94.9	Very high	8 Å²	8	39.9 Å²	39.9	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140	176.2	-63.9	-101.2	0	0	0	109.4	I321 V326 Y342 F343 V345 Y365	I321-Y357 HydrophobicContact CG2-CE1 4.35Å; I321-Y357 HydrophobicContact CG2-CE2 4.3Å; I321-Y357 WeakPolarHBondContact CG2-OH 3.18Å; V326-Y357 HydrophobicContact CG2-CE2 4.36Å; Y342-Y357 CarbonylContact C-O 3.49Å; Y342-Y357 WeakPolarHBondContact CA-O 3.4Å; F343-Y357 AromaticContact CD2-CD2 3.92Å; F343-Y357 HydrophobicContact CD2-CD2 3.92Å; F343-Y357 HydrophobicContact CD2-CG 4.38Å; F343-Y357 HydrophobicContact CE1-CG 4.13Å; F343-Y357 AromaticContact CE2-CD2 3.21Å; F343-Y357 HydrophobicContact CE2-CD2 3.21Å; F343-Y357 AromaticContact CE2-CE2 3.9Å; F343-Y357 HydrophobicContact CE2-CE2 3.9Å; F343-Y357 AromaticContact CE2-CG 3.62Å; F343-Y357 HydrophobicContact CE2-CG 3.62Å; F343-Y357 HydrophobicContact CZ-CD1 4.1Å; F343-Y357 AromaticContact CZ-CD2 3.59Å; F343-Y357 HydrophobicContact CZ-CD2 3.59Å; F343-Y357 HydrophobicContact CZ-CE2 4.35Å; F343-Y357 AromaticContact CZ-CG 3.46Å; F343-Y357 HydrophobicContact CZ-CG 3.46Å; F343-Y357 VanDerWaalsContact CZ-CG 3.46Å; F343-Y357 PolarHBondContact N-O 2.49Å; F343-Y357 PolarHBondContact O-N 2.84Å; V345-Y357 HydrophobicContact CG2-CE2 4.44Å; Y357-Y365 CarbonylContact C-O 3.55Å; Y357-Y365 VanDerWaalsContact CA-O 3.22Å; Y357-Y365 WeakPolarHBondContact CA-O 3.46Å
358	R	96.6	Very high	94.8	Very high	74 Å²	74	41.1 Å²	41.1	28%	0.279	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135	-180	-174.7	180	68.9	164.6	-2.4	110.2	E340 Y342 N360 F364 Y365 H367	E340-R358 IonicContact OE1-CZ 3.97Å; E340-R358 IonicContact OE1-NH1 2.76Å; E340-R358 PolarHBondContact OE1-NH1 2.79Å; E340-R358 IonicContact OE2-NH1 3.49Å; Y342-R358 HydrophobicContact CD1-CB 3.74Å; Y342-R358 HydrophobicContact CD1-CG 3.95Å; Y342-R358 HydrophobicContact CE1-CB 3.51Å; Y342-R358 HydrophobicContact CE1-CG 3.41Å; Y342-R358 VanDerWaalsContact CE1-CG 3.41Å; Y342-R358 HydrophobicContact CE2-CG 4.37Å; Y342-R358 VanDerWaalsContact OH-CD 3.25Å; Y342-R358 WeakPolarHBondContact OH-CD 3.28Å; R358-N360 PolarHBondContact O-N 3.07Å; R358-F364 CarbonylContact O-C 3.49Å; R358-F364 WeakPolarHBondContact O-CA 3.5Å; R358-Y365 PolarHBondContact N-O 2.95Å; R358-Y365 PolarHBondContact O-N 2.84Å; R358-H367 HydrophobicContact CB-CB 4.01Å
359	W	95.3	Very high	94.8	Very high	33 Å²	33	41.7 Å²	41.7	13%	0.125	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.3	170.6	-179.8	-108	0	0	0	110.8	I288 Y293 W341 S361 F364	I288-W359 HydrophobicContact CD1-CB 4.39Å; I288-W359 HydrophobicContact CD1-CD2 3.6Å; I288-W359 HydrophobicContact CD1-CE3 3.7Å; I288-W359 HydrophobicContact CD1-CG 3.91Å; I288-W359 HydrophobicContact CD1-CZ3 4.24Å; I288-W359 HydrophobicContact CG2-CZ2 4.5Å; Y293-W359 HydrophobicContact CD1-CZ3 4.4Å; Y293-W359 AromaticContact CE1-CH2 3.72Å; Y293-W359 HydrophobicContact CE1-CH2 3.72Å; Y293-W359 AromaticContact CE1-CZ3 3.96Å; Y293-W359 HydrophobicContact CE1-CZ3 3.96Å; Y293-W359 AromaticContact CE2-CH2 3.98Å; Y293-W359 HydrophobicContact CE2-CH2 3.98Å; Y293-W359 HydrophobicContact CE2-CZ3 4.38Å; Y293-W359 AromaticContact CZ-CH2 3.39Å; Y293-W359 AromaticContact CZ-CZ3 3.98Å; Y293-W359 VanDerWaalsContact OH-CH2 3.29Å; Y293-W359 WeakPolarHBondContact OH-CH2 3.44Å; W341-W359 HydrophobicContact CB-CB 3.73Å; W341-W359 HydrophobicContact CB-CG 4.36Å; W341-W359 VanDerWaalsContact O-CB 3.29Å; W341-W359 WeakPolarHBondContact O-CB 3.26Å; W341-W359 PolarHBondContact O-N 3.24Å; W359-S361 VanDerWaalsContact CZ2-O 3.28Å; W359-S361 WeakPolarHBondContact CZ2-O 3.21Å; W359-F364 HydrophobicContact CB-CD1 4.05Å; W359-F364 HydrophobicContact CB-CE1 3.79Å; W359-F364 HydrophobicContact CB-CZ 4.36Å; W359-F364 HydrophobicContact CD2-CZ 4.49Å; W359-F364 HydrophobicContact CE3-CD1 4.23Å; W359-F364 AromaticContact CE3-CD2 3.56Å; W359-F364 HydrophobicContact CE3-CD2 3.56Å; W359-F364 HydrophobicContact CE3-CE1 4.1Å; W359-F364 AromaticContact CE3-CE2 3.41Å; W359-F364 HydrophobicContact CE3-CE2 3.41Å; W359-F364 VanDerWaalsContact CE3-CE2 3.41Å; W359-F364 AromaticContact CE3-CG 3.99Å; W359-F364 HydrophobicContact CE3-CG 3.99Å; W359-F364 AromaticContact CE3-CZ 3.72Å; W359-F364 HydrophobicContact CE3-CZ 3.72Å; W359-F364 AromaticContact CZ3-CD2 3.87Å; W359-F364 HydrophobicContact CZ3-CD2 3.87Å; W359-F364 AromaticContact CZ3-CE2 3.76Å; W359-F364 HydrophobicContact CZ3-CE2 3.76Å; W359-F364 HydrophobicContact CZ3-CZ 4.45Å
360	N	91.8	Very high	94.8	Very high	80 Å²	80	40.9 Å²	40.9	43%	0.428	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	100.2	170.5	177	1.8	0	0	0	108	R358 N362 G363 Y365	R358-N360 PolarHBondContact O-N 3.07Å; N360-N362 PolarHBondContact O-N 3.02Å; N360-N362 PolarHBondContact O-OD1 2.8Å; N360-G363 PolarHBondContact N-O 2.88Å; N360-G363 PolarHBondContact O-N 2.99Å; N360-Y365 HydrophobicContact CB-CD2 3.82Å; N360-Y365 HydrophobicContact CB-CE2 4.06Å
361	S	85.3	Confident	94.9	Very high	92 Å²	92	35.8 Å²	35.8	64%	0.643	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	-54.1	171	60.7	0	0	0	0	118.6	W359	W359-S361 VanDerWaalsContact CZ2-O 3.28Å; W359-S361 WeakPolarHBondContact CZ2-O 3.21Å
362	N	87.3	Confident	95	Very high	105 Å²	105	37 Å²	37	56%	0.561	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-11.9	-177.1	64.7	-4	0	0	0	114.5	N360 Y365	N360-N362 PolarHBondContact O-N 3.02Å; N360-N362 PolarHBondContact O-OD1 2.8Å; N362-Y365 WeakPolarHBondContact OD1-CE2 3.39Å; N362-Y365 PolarHBondContact OD1-OH 2.85Å
363	G	92.1	Very high	95	Very high	1 Å²	1	46 Å²	46	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-173.1	-176.2	0	0	0	0	0	114	N360	N360-G363 PolarHBondContact N-O 2.88Å; N360-G363 PolarHBondContact O-N 2.99Å
364	F	94.9	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.8	-179.4	-75.5	-88.7	0	0	0	111.3	V286 I288 I305 Q319 W341 F343 R358 W359	V286-F364 HydrophobicContact CG1-CZ 4.3Å; I288-F364 HydrophobicContact CD1-CE1 4.43Å; I288-F364 HydrophobicContact CD1-CE2 4.16Å; I288-F364 HydrophobicContact CD1-CZ 3.62Å; I305-F364 HydrophobicContact CD1-CB 3.74Å; I305-F364 HydrophobicContact CD1-CD2 3.91Å; I305-F364 HydrophobicContact CD1-CG 4.23Å; Q319-F364 PolarHBondContact NE2-O 2.99Å; Q319-F364 PolarHBondContact OE1-O 2.95Å; W341-F364 HydrophobicContact CB-CE1 4.38Å; F343-F364 HydrophobicContact CD1-CB 4.16Å; F343-F364 AromaticContact CD1-CD1 3.44Å; F343-F364 HydrophobicContact CD1-CD1 3.44Å; F343-F364 VanDerWaalsContact CD1-CD1 3.44Å; F343-F364 HydrophobicContact CD1-CD2 4.16Å; F343-F364 AromaticContact CD1-CE1 3.68Å; F343-F364 HydrophobicContact CD1-CE1 3.68Å; F343-F364 HydrophobicContact CD1-CE2 4.34Å; F343-F364 AromaticContact CD1-CG 3.69Å; F343-F364 HydrophobicContact CD1-CG 3.69Å; F343-F364 HydrophobicContact CD1-CZ 4.1Å; F343-F364 HydrophobicContact CE1-CB 3.39Å; F343-F364 AromaticContact CE1-CD1 3.61Å; F343-F364 HydrophobicContact CE1-CD1 3.61Å; F343-F364 AromaticContact CE1-CD2 3.84Å; F343-F364 HydrophobicContact CE1-CD2 3.84Å; F343-F364 HydrophobicContact CE1-CE1 4.25Å; F343-F364 HydrophobicContact CE1-CE2 4.43Å; F343-F364 AromaticContact CE1-CG 3.37Å; F343-F364 HydrophobicContact CE1-CG 3.37Å; F343-F364 HydrophobicContact CZ-CB 4.21Å; R358-F364 CarbonylContact O-C 3.49Å; R358-F364 WeakPolarHBondContact O-CA 3.5Å; W359-F364 HydrophobicContact CB-CD1 4.05Å; W359-F364 HydrophobicContact CB-CE1 3.79Å; W359-F364 HydrophobicContact CB-CZ 4.36Å; W359-F364 HydrophobicContact CD2-CZ 4.49Å; W359-F364 HydrophobicContact CE3-CD1 4.23Å; W359-F364 AromaticContact CE3-CD2 3.56Å; W359-F364 HydrophobicContact CE3-CD2 3.56Å; W359-F364 HydrophobicContact CE3-CE1 4.1Å; W359-F364 AromaticContact CE3-CE2 3.41Å; W359-F364 HydrophobicContact CE3-CE2 3.41Å; W359-F364 VanDerWaalsContact CE3-CE2 3.41Å; W359-F364 AromaticContact CE3-CG 3.99Å; W359-F364 HydrophobicContact CE3-CG 3.99Å; W359-F364 AromaticContact CE3-CZ 3.72Å; W359-F364 HydrophobicContact CE3-CZ 3.72Å; W359-F364 AromaticContact CZ3-CD2 3.87Å; W359-F364 HydrophobicContact CZ3-CD2 3.87Å; W359-F364 AromaticContact CZ3-CE2 3.76Å; W359-F364 HydrophobicContact CZ3-CE2 3.76Å; W359-F364 HydrophobicContact CZ3-CZ 4.45Å
365	Y	94.5	Very high	95.1	Very high	104 Å²	104	54.1 Å²	54.1	41%	0.408	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.8	-175.1	-61.3	-87.8	0	0	0	111	Y357 R358 N360 N362 H367	Y357-Y365 CarbonylContact C-O 3.55Å; Y357-Y365 VanDerWaalsContact CA-O 3.22Å; Y357-Y365 WeakPolarHBondContact CA-O 3.46Å; R358-Y365 PolarHBondContact N-O 2.95Å; R358-Y365 PolarHBondContact O-N 2.84Å; N360-Y365 HydrophobicContact CB-CD2 3.82Å; N360-Y365 HydrophobicContact CB-CE2 4.06Å; N362-Y365 WeakPolarHBondContact OD1-CE2 3.39Å; N362-Y365 PolarHBondContact OD1-OH 2.85Å; Y365-H367 PolarHBondContact O-N 2.94Å
366	S	94.7	Very high	95.1	Very high	45 Å²	45	54.1 Å²	54.1	32%	0.315	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130.7	-178.6	-168.7	0	0	0	0	110.7	R325	R325-S366 PolarHBondContact NH1-OG 3Å
367	H	96.3	Very high	95	Very high	40 Å²	40	55 Å²	55	19%	0.185	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-46.7	-175.6	-177.7	72.4	0	0	0	111.4	Y342 I356 R358 Y365 W404 K409	Y342-H367 AromaticContact CE1-CD2 3.97Å; I356-H367 HydrophobicContact CG2-CB 4.28Å; I356-H367 PolarHBondContact O-N 3.3Å; R358-H367 HydrophobicContact CB-CB 4.01Å; Y365-H367 PolarHBondContact O-N 2.94Å; H367-W404 AromaticContact NE2-CH2 3.76Å; H367-W404 AromaticContact NE2-CZ3 3.99Å; H367-K409 PolarHBondContact CE1-O 3.03Å; H367-K409 PolarHBondContact NE2-O 2.85Å
368	Q	97	Very high	95.1	Very high	26 Å²	26	54.7 Å²	54.7	12%	0.121	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	145.4	-178	-174.5	176.4	11.5	0	0	111.2	I356 L370 F411	I356-Q368 HydrophobicContact CB-CB 4.38Å; I356-Q368 HydrophobicContact CD1-CB 4.37Å; I356-Q368 PolarHBondContact N-O 2.88Å; I356-Q368 PolarHBondContact O-N 3.39Å; Q368-L370 HydrophobicContact CG-CD2 3.93Å; Q368-F411 PolarHBondContact NE2-O 2.94Å
369	S	96.9	Very high	95.2	Very high	50 Å²	50	51.2 Å²	51.2	35%	0.35	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.3	167.1	-67.9	0	0	0	0	109.7	S353 T354	S353-S369 WeakPolarHBondContact OG-CB 3.4Å; S353-S369 PolarHBondContact OG-OG 3.39Å; T354-S369 CarbonylContact O-C 3.58Å; T354-S369 WeakPolarHBondContact O-CA 3.29Å
370	L	97.6	Very high	95.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154.6	-178.1	-60	-176.2	0	0	0	110.4	T354 I356 Q368 L390 L392 Y402 F411	T354-L370 HydrophobicContact CG2-CB 4.5Å; T354-L370 PolarHBondContact N-O 3.14Å; T354-L370 PolarHBondContact O-N 2.78Å; I356-L370 HydrophobicContact CD1-CD1 3.81Å; I356-L370 HydrophobicContact CD1-CG 4.2Å; I356-L370 HydrophobicContact CG1-CD1 4.4Å; Q368-L370 HydrophobicContact CG-CD2 3.93Å; L370-L390 HydrophobicContact CD1-CD1 4.06Å; L370-L392 HydrophobicContact CB-CD1 4.05Å; L370-L392 HydrophobicContact CD1-CD1 4.37Å; L370-Y402 HydrophobicContact CD1-CD1 4.49Å; L370-Y402 HydrophobicContact CD1-CD2 4.35Å; L370-Y402 HydrophobicContact CD1-CG 4.32Å; L370-Y402 HydrophobicContact CD2-CD1 3.92Å; L370-Y402 HydrophobicContact CD2-CE1 3.87Å; L370-F411 HydrophobicContact CD1-CB 4.47Å; L370-F411 HydrophobicContact CD2-CB 4.24Å
371	H	96.6	Very high	95.6	Very high	16 Å²	16	47.9 Å²	47.9	7%	0.074	24%	0.238	C	C	.	.	S	Bend	trans	50.6	54.5	166.8	-147.9	-156.6	0	0	0	115.2	H374 D376 L392 S394 Y402	H371-H374 HydrophobicContact CB-CB 4.44Å; H371-H374 AromaticContact CD2-CD2 3.76Å; H371-H374 AromaticContact CD2-CE1 3.65Å; H371-H374 AromaticContact CD2-CG 3.4Å; H371-H374 AromaticContact CD2-ND1 3.32Å; H371-H374 PolarHBondContact CD2-ND1 3.47Å; H371-H374 VanDerWaalsContact CD2-ND1 3.32Å; H371-H374 AromaticContact CD2-NE2 3.94Å; H371-H374 AromaticContact CE1-CD2 3.47Å; H371-H374 PolarHBondContact CE1-CD2 2.7Å; H371-H374 VanDerWaalsContact CE1-CD2 3.47Å; H371-H374 AromaticContact CE1-CG 3.42Å; H371-H374 VanDerWaalsContact CE1-CG 3.42Å; H371-H374 AromaticContact CG-CG 3.61Å; H371-H374 AromaticContact CG-ND1 3.74Å; H371-H374 WeakPolarHBondContact ND1-CB 3.19Å; H371-H374 AromaticContact ND1-CG 3.61Å; H371-H374 AromaticContact NE2-CD2 3.19Å; H371-H374 PolarHBondContact NE2-CD2 3Å; H371-H374 AromaticContact NE2-CE1 3.74Å; H371-H374 AromaticContact NE2-CG 3.29Å; H371-H374 VanDerWaalsContact NE2-CG 3.29Å; H371-H374 AromaticContact NE2-ND1 3.63Å; H371-H374 AromaticContact NE2-NE2 3.54Å; H371-H374 WeakPolarHBondContact O-CB 3.13Å; H371-H374 PolarHBondContact O-N 3.24Å; H371-H374 PolarHBondContact O-ND1 3Å; H371-D376 IonicContact CE1-OD1 3.57Å; H371-D376 IonicContact CG-OD1 3.76Å; H371-D376 IonicContact ND1-OD1 2.73Å; H371-D376 PolarHBondContact ND1-OD1 3.11Å; H371-D376 IonicContact ND1-OD2 3.67Å; H371-L392 HydrophobicContact CB-CD1 3.75Å; H371-S394 PolarHBondContact CE1-OG 2.95Å; H371-S394 PolarHBondContact ND1-OG 3.36Å; H371-Y402 PolarHBondContact N-OH 3.19Å
372	P	96.1	Very high	96.1	Very high	77 Å²	77	43.8 Å²	43.8	50%	0.5	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	144.4	-177.4	28.5	-36.4	0	0	0	111.4	H374	P372-H374 PolarHBondContact O-CE1 2.85Å; P372-H374 PolarHBondContact O-N 2.76Å; P372-H374 PolarHBondContact O-ND1 2.79Å
373	W	95.9	Very high	96.3	Very high	192 Å²	192	42.2 Å²	42.2	73%	0.727	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	7.1	179.4	-44.1	106.5	0	0	0	116.6	K350	K350-W373 WeakPolarHBondContact O-CA 3.31Å
374	H	96.8	Very high	96.2	Very high	57 Å²	57	43.4 Å²	43.4	26%	0.264	21%	0.207	S	C	.	.			trans	-100.6	162.3	177.3	-62.2	76.7	0	0	0	110.9	H371 P372	H371-H374 HydrophobicContact CB-CB 4.44Å; H371-H374 AromaticContact CD2-CD2 3.76Å; H371-H374 AromaticContact CD2-CE1 3.65Å; H371-H374 AromaticContact CD2-CG 3.4Å; H371-H374 AromaticContact CD2-ND1 3.32Å; H371-H374 PolarHBondContact CD2-ND1 3.47Å; H371-H374 VanDerWaalsContact CD2-ND1 3.32Å; H371-H374 AromaticContact CD2-NE2 3.94Å; H371-H374 AromaticContact CE1-CD2 3.47Å; H371-H374 PolarHBondContact CE1-CD2 2.7Å; H371-H374 VanDerWaalsContact CE1-CD2 3.47Å; H371-H374 AromaticContact CE1-CG 3.42Å; H371-H374 VanDerWaalsContact CE1-CG 3.42Å; H371-H374 AromaticContact CG-CG 3.61Å; H371-H374 AromaticContact CG-ND1 3.74Å; H371-H374 WeakPolarHBondContact ND1-CB 3.19Å; H371-H374 AromaticContact ND1-CG 3.61Å; H371-H374 AromaticContact NE2-CD2 3.19Å; H371-H374 PolarHBondContact NE2-CD2 3Å; H371-H374 AromaticContact NE2-CE1 3.74Å; H371-H374 AromaticContact NE2-CG 3.29Å; H371-H374 VanDerWaalsContact NE2-CG 3.29Å; H371-H374 AromaticContact NE2-ND1 3.63Å; H371-H374 AromaticContact NE2-NE2 3.54Å; H371-H374 WeakPolarHBondContact O-CB 3.13Å; H371-H374 PolarHBondContact O-N 3.24Å; H371-H374 PolarHBondContact O-ND1 3Å; P372-H374 PolarHBondContact O-CE1 2.85Å; P372-H374 PolarHBondContact O-N 2.76Å; P372-H374 PolarHBondContact O-ND1 2.79Å
375	R	97.6	Very high	95.7	Very high	133 Å²	133	47.2 Å²	47.2	50%	0.502	25%	0.247	S	C	.	.			trans	-109	78.7	179.3	-64.8	-172	175.4	175.3	-2.7	108.6	S348 K350 T377 S394 A395	S348-R375 VanDerWaalsContact O-CB 3.3Å; S348-R375 WeakPolarHBondContact O-CB 3.23Å; S348-R375 WeakPolarHBondContact O-CG 3.48Å; K350-R375 HydrophobicContact CG-CG 3.96Å; R375-T377 PolarHBondContact O-N 2.86Å; R375-S394 CarbonylContact O-C 3.53Å; R375-S394 VanDerWaalsContact O-CA 3.23Å; R375-S394 WeakPolarHBondContact O-CA 3.34Å; R375-S394 WeakPolarHBondContact O-CB 3.49Å; R375-A395 HydrophobicContact CB-CB 4.09Å; R375-A395 PolarHBondContact O-N 2.89Å
376	D	98.2	Very high	95.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.6	-175.7	-62.3	-34	0	0	0	110.4	A346 D347 S348 T354 H371 S393 S394	A346-D376 HydrophobicContact CB-CB 4.28Å; D347-D376 CarbonylContact C-O 3.58Å; D347-D376 VanDerWaalsContact C-O 3.27Å; D347-D376 PolarHBondContact O-N 2.94Å; S348-D376 VanDerWaalsContact CA-O 3.32Å; S348-D376 WeakPolarHBondContact CA-O 3.39Å; S348-D376 PolarHBondContact N-O 3.07Å; T354-D376 VanDerWaalsContact CB-OD2 3.32Å; T354-D376 WeakPolarHBondContact CB-OD2 3.27Å; T354-D376 VanDerWaalsContact OG1-CB 3.23Å; T354-D376 WeakPolarHBondContact OG1-CB 3.28Å; T354-D376 VanDerWaalsContact OG1-CG 3.26Å; T354-D376 PolarHBondContact OG1-OD2 2.8Å; H371-D376 IonicContact CE1-OD1 3.57Å; H371-D376 IonicContact CG-OD1 3.76Å; H371-D376 IonicContact ND1-OD1 2.73Å; H371-D376 PolarHBondContact ND1-OD1 3.11Å; H371-D376 IonicContact ND1-OD2 3.67Å; D376-S393 CarbonylContact C-O 3.6Å; D376-S393 WeakPolarHBondContact CA-O 3.41Å; D376-S394 WeakPolarHBondContact OD1-CB 3.49Å; D376-S394 PolarHBondContact OD1-OG 2.78Å
377	T	97.1	Very high	95.4	Very high	17 Å²	17	47.8 Å²	47.8	10%	0.104	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-34.5	-178.1	55.4	0	0	0	0	111.3	N330 R375 S393 Q424	N330-T377 PolarHBondContact ND2-O 2.9Å; R375-T377 PolarHBondContact O-N 2.86Å; T377-S393 PolarHBondContact N-O 2.89Å; T377-S393 PolarHBondContact OG1-O 2.84Å; T377-Q424 WeakPolarHBondContact CB-O 3.25Å; T377-Q424 PolarHBondContact OG1-O 3.21Å
378	H	98.3	Very high	95.3	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151.3	-176.6	-174.8	-91.7	0	0	0	110.9	F331 E380 S393 M425 V426 K427	F331-H378 AromaticContact CD1-CD2 3.73Å; F331-H378 AromaticContact CD1-NE2 3.87Å; F331-H378 AromaticContact CD2-CD2 3.57Å; F331-H378 AromaticContact CE1-CD2 3.82Å; F331-H378 AromaticContact CE1-NE2 3.47Å; F331-H378 WeakPolarHBondContact CE1-NE2 3.4Å; F331-H378 AromaticContact CE2-CD2 3.67Å; F331-H378 AromaticContact CE2-NE2 3.65Å; F331-H378 AromaticContact CG-CD2 3.61Å; F331-H378 AromaticContact CZ-CD2 3.82Å; F331-H378 AromaticContact CZ-NE2 3.37Å; F331-H378 WeakPolarHBondContact CZ-NE2 3.43Å; H378-E380 IonicContact CE1-OE2 2.8Å; H378-E380 PolarHBondContact CE1-OE2 3.22Å; H378-S393 PolarHBondContact N-O 3.23Å; H378-S393 PolarHBondContact O-N 2.94Å; H378-M425 HydrophobicContact CB-CB 4.24Å; H378-M425 HydrophobicContact CB-CG 4.23Å; H378-M425 PolarHBondContact CD2-SD 2.86Å; H378-M425 PolarHBondContact NE2-SD 3.36Å; H378-V426 PolarHBondContact CE1-O 3.22Å; H378-V426 PolarHBondContact ND1-O 2.67Å; H378-K427 PolarHBondContact CE1-NZ 2.81Å; H378-K427 VanDerWaalsContact NE2-CE 3.29Å; H378-K427 WeakPolarHBondContact NE2-CE 3.47Å; H378-K427 PolarHBondContact NE2-NZ 2.89Å; H378-K427 VanDerWaalsContact NE2-NZ 3.14Å
379	V	98.3	Very high	95.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.7	172.5	52.9	0	0	0	0	108.9	F331 D333 V344 A346 L390 I391 L392	F331-V379 HydrophobicContact CD1-CG1 3.93Å; D333-V379 HydrophobicContact CB-CG1 4.18Å; V344-V379 HydrophobicContact CB-CG1 4.47Å; V344-V379 HydrophobicContact CB-CG2 4.48Å; V344-V379 HydrophobicContact CG1-CB 4.24Å; V344-V379 HydrophobicContact CG1-CG1 3.55Å; V344-V379 HydrophobicContact CG1-CG2 3.65Å; V344-V379 HydrophobicContact CG2-CG1 4.21Å; V344-V379 HydrophobicContact CG2-CG2 4.06Å; A346-V379 HydrophobicContact CB-CB 4.44Å; A346-V379 HydrophobicContact CB-CG1 4.06Å; V379-L390 HydrophobicContact CG2-CD2 3.83Å; V379-I391 WeakPolarHBondContact CA-O 3.39Å; V379-L392 HydrophobicContact CB-CD2 3.55Å; V379-L392 HydrophobicContact CG2-CD2 3.49Å; V379-L392 VanDerWaalsContact CG2-CD2 3.49Å
380	E	98	Very high	95.4	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.7	177.7	-176.3	75.7	166	0	0	109.5	H378 I382 L390 I391 V426 K427 H428	H378-E380 IonicContact CE1-OE2 2.8Å; H378-E380 PolarHBondContact CE1-OE2 3.22Å; E380-I382 HydrophobicContact CG-CG2 4.18Å; E380-L390 WeakPolarHBondContact O-CA 3.48Å; E380-I391 HydrophobicContact CB-CB 4.33Å; E380-I391 PolarHBondContact N-O 2.98Å; E380-I391 PolarHBondContact O-N 2.87Å; E380-V426 WeakPolarHBondContact CB-O 3.41Å; E380-K427 WeakPolarHBondContact OE2-CD 3.37Å; E380-K427 IonicContact OE2-NZ 3.21Å; E380-K427 PolarHBondContact OE2-NZ 2.83Å; E380-H428 IonicContact OE1-CE1 2.79Å; E380-H428 IonicContact OE1-CG 3.23Å; E380-H428 PolarHBondContact OE1-N 3.46Å; E380-H428 IonicContact OE1-ND1 3.82Å; E380-H428 PolarHBondContact OE1-ND1 3.24Å
381	F	97.7	Very high	95.4	Very high	35 Å²	35	43.2 Å²	43.2	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.6	170.6	178	-97.4	0	0	0	111.8	D333 F335 L337 P388 L390 F411	D333-F381 PolarHBondContact OD2-N 2.89Å; F335-F381 HydrophobicContact CB-CB 4.17Å; F335-F381 HydrophobicContact CB-CD1 3.56Å; F335-F381 HydrophobicContact CB-CD2 3.77Å; F335-F381 HydrophobicContact CB-CE1 3.79Å; F335-F381 HydrophobicContact CB-CE2 3.99Å; F335-F381 HydrophobicContact CB-CG 3.54Å; F335-F381 HydrophobicContact CB-CZ 3.99Å; F335-F381 HydrophobicContact CD1-CB 3.87Å; F335-F381 AromaticContact CD1-CD2 3.79Å; F335-F381 HydrophobicContact CD1-CD2 3.79Å; F335-F381 AromaticContact CD1-CG 3.88Å; F335-F381 HydrophobicContact CD1-CG 3.88Å; F335-F381 AromaticContact CD2-CD2 3.93Å; F335-F381 HydrophobicContact CD2-CD2 3.93Å; F335-F381 AromaticContact CD2-CE2 3.89Å; F335-F381 HydrophobicContact CD2-CE2 3.89Å; F335-F381 HydrophobicContact CD2-CZ 4.48Å; F335-F381 HydrophobicContact CE1-CD2 4.35Å; F335-F381 HydrophobicContact CE2-CD2 4.46Å; F335-F381 HydrophobicContact CG-CB 4.24Å; F335-F381 HydrophobicContact CG-CD1 4.28Å; F335-F381 AromaticContact CG-CD2 3.55Å; F335-F381 HydrophobicContact CG-CD2 3.55Å; F335-F381 AromaticContact CG-CE2 3.9Å; F335-F381 HydrophobicContact CG-CE2 3.9Å; F335-F381 AromaticContact CG-CG 3.75Å; F335-F381 HydrophobicContact CG-CG 3.75Å; F335-F381 HydrophobicContact CG-CZ 4.39Å; L337-F381 HydrophobicContact CD1-CE2 4.3Å; L337-F381 HydrophobicContact CD2-CE2 3.85Å; L337-F381 HydrophobicContact CD2-CZ 3.71Å; L337-F381 HydrophobicContact CG-CE2 4.23Å; L337-F381 HydrophobicContact CG-CZ 4.34Å; F381-P388 HydrophobicContact CE2-CB 3.8Å; F381-P388 HydrophobicContact CZ-CB 3.99Å; F381-L390 HydrophobicContact CB-CD2 3.89Å; F381-L390 HydrophobicContact CD2-CD2 3.87Å; F381-L390 HydrophobicContact CD2-CG 4.48Å; F381-L390 HydrophobicContact CG-CD2 4.4Å; F381-F411 HydrophobicContact CE2-CZ 4.44Å
382	I	95.6	Very high	95.5	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.5	172.6	63.1	174.8	0	0	0	110.8	E380 V384 P388 H389 I391 H428 L435	E380-I382 HydrophobicContact CG-CG2 4.18Å; I382-V384 HydrophobicContact CD1-CG2 3.91Å; I382-V384 HydrophobicContact CG1-CG2 4.23Å; I382-P388 CarbonylContact O-C 3.04Å; I382-H389 HydrophobicContact CD1-CB 4.35Å; I382-H389 HydrophobicContact CG1-CB 3.82Å; I382-H389 PolarHBondContact N-O 2.87Å; I382-H389 PolarHBondContact O-N 2.91Å; I382-I391 HydrophobicContact CD1-CD1 3.76Å; I382-I391 HydrophobicContact CD1-CG1 4.43Å; I382-I391 HydrophobicContact CG1-CD1 4.43Å; I382-H428 HydrophobicContact CG2-CB 3.74Å; I382-H428 VanDerWaalsContact CG2-CG 3.49Å; I382-L435 HydrophobicContact CD1-CD2 4.36Å
383	D	92.6	Very high	95.6	Very high	71 Å²	71	38.8 Å²	38.8	38%	0.38	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118	166.3	-169	-25.3	0	0	0	109.6	G386 K387	D383-G386 VanDerWaalsContact OD1-C 3.28Å; D383-G386 WeakPolarHBondContact OD1-CA 3.15Å; D383-G386 PolarHBondContact OD1-N 2.02Å; D383-K387 PolarHBondContact OD1-N 2.99Å
384	V	89.3	Confident	95.7	Very high	26 Å²	26	29.7 Å²	29.7	16%	0.158	17%	0.167	C	C	.	.	S	Bend	trans	-114.7	95.8	-179.2	-170.6	0	0	0	0	109.1	I382 K387 L435	I382-V384 HydrophobicContact CD1-CG2 3.91Å; I382-V384 HydrophobicContact CG1-CG2 4.23Å; V384-K387 PolarHBondContact N-O 3.25Å; V384-K387 VanDerWaalsContact N-O 3.09Å; V384-K387 WeakPolarHBondContact O-CB 3.31Å; V384-K387 PolarHBondContact O-N 2.93Å; V384-L435 HydrophobicContact CG1-CD2 4.42Å; V384-L435 HydrophobicContact CG2-CD2 3.52Å
385	G	85.4	Confident	95.6	Very high	81 Å²	81	28.7 Å²	28.7	84%	0.835	17%	0.169	S	C	*	.	S	Bend	trans	67.7	39.9	177.2	0	0	0	0	0	113.7	K387	G385-K387 VanDerWaalsContact C-N 3.27Å; G385-K387 PolarHBondContact O-N 2.97Å
386	G	88.8	Confident	95.4	Very high	34 Å²	34	26 Å²	26	35%	0.351	17%	0.17	S	C	.	.	S	Bend	trans	77.4	14.8	-179.4	0	0	0	0	0	113.6	D383 P388 R406	D383-G386 VanDerWaalsContact OD1-C 3.28Å; D383-G386 WeakPolarHBondContact OD1-CA 3.15Å; D383-G386 PolarHBondContact OD1-N 2.02Å; G386-P388 WeakPolarHBondContact O-CD 3.29Å; G386-R406 PolarHBondContact O-NH2 3.03Å
387	K	92.6	Very high	95.2	Very high	127 Å²	127	29.7 Å²	29.7	55%	0.552	19%	0.188	S	C	*	.			trans	-114.3	100.7	175.4	-65.7	179.9	178.9	179.7	0	107.4	D383 V384 G385 H389	D383-K387 PolarHBondContact OD1-N 2.99Å; V384-K387 PolarHBondContact N-O 3.25Å; V384-K387 VanDerWaalsContact N-O 3.09Å; V384-K387 WeakPolarHBondContact O-CB 3.31Å; V384-K387 PolarHBondContact O-N 2.93Å; G385-K387 VanDerWaalsContact C-N 3.27Å; G385-K387 PolarHBondContact O-N 2.97Å; K387-H389 PolarHBondContact O-CE1 3.21Å; K387-H389 PolarHBondContact O-ND1 2.85Å
388	P	96.1	Very high	95.2	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.8	177.1	-14.1	26.4	0	0	0	112	L337 F381 I382 G386 W404	L337-P388 HydrophobicContact CD2-CB 3.45Å; L337-P388 VanDerWaalsContact CD2-CB 3.45Å; L337-P388 HydrophobicContact CD2-CG 3.33Å; F381-P388 HydrophobicContact CE2-CB 3.8Å; F381-P388 HydrophobicContact CZ-CB 3.99Å; I382-P388 CarbonylContact O-C 3.04Å; G386-P388 WeakPolarHBondContact O-CD 3.29Å; P388-W404 HydrophobicContact CB-CB 3.86Å; P388-W404 HydrophobicContact CG-CB 4Å; P388-W404 HydrophobicContact CG-CG 4.32Å; P388-W404 PolarHBondContact O-N 3.15Å
389	H	96.6	Very high	95.2	Very high	19 Å²	19	30 Å²	30	9%	0.088	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.8	176.1	-55.3	78.7	0	0	0	111.1	I382 K387 V401 Y402 Q403	I382-H389 HydrophobicContact CD1-CB 4.35Å; I382-H389 HydrophobicContact CG1-CB 3.82Å; I382-H389 PolarHBondContact N-O 2.87Å; I382-H389 PolarHBondContact O-N 2.91Å; K387-H389 PolarHBondContact O-CE1 3.21Å; K387-H389 PolarHBondContact O-ND1 2.85Å; H389-V401 HydrophobicContact CB-CG1 4.06Å; H389-Y402 CarbonylContact C-O 3.3Å; H389-Y402 WeakPolarHBondContact CA-O 3.38Å; H389-Y402 VanDerWaalsContact CB-O 3.29Å; H389-Y402 WeakPolarHBondContact CB-O 3.17Å; H389-Q403 PolarHBondContact NE2-NE2 2.93Å
390	L	98.1	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.2	166.6	-72.8	172.3	0	0	0	109	F335 I356 L370 V379 E380 F381 V401 Y402 F411	F335-L390 HydrophobicContact CD1-CD2 4.28Å; F335-L390 HydrophobicContact CE1-CD1 4.41Å; F335-L390 HydrophobicContact CE1-CD2 3.76Å; F335-L390 HydrophobicContact CZ-CD1 4.18Å; F335-L390 HydrophobicContact CZ-CD2 4.24Å; I356-L390 HydrophobicContact CD1-CD1 3.65Å; I356-L390 HydrophobicContact CG1-CD1 4.4Å; L370-L390 HydrophobicContact CD1-CD1 4.06Å; V379-L390 HydrophobicContact CG2-CD2 3.83Å; E380-L390 WeakPolarHBondContact O-CA 3.48Å; F381-L390 HydrophobicContact CB-CD2 3.89Å; F381-L390 HydrophobicContact CD2-CD2 3.87Å; F381-L390 HydrophobicContact CD2-CG 4.48Å; F381-L390 HydrophobicContact CG-CD2 4.4Å; L390-V401 WeakPolarHBondContact O-CA 2.94Å; L390-Y402 PolarHBondContact N-O 2.89Å; L390-Y402 PolarHBondContact O-N 3.28Å; L390-F411 HydrophobicContact CB-CD1 4.34Å; L390-F411 HydrophobicContact CB-CE1 4.29Å; L390-F411 HydrophobicContact CD1-CD1 4.02Å; L390-F411 HydrophobicContact CD1-CD2 3.65Å; L390-F411 HydrophobicContact CD1-CE1 3.96Å; L390-F411 HydrophobicContact CD1-CE2 3.56Å; L390-F411 HydrophobicContact CD1-CG 3.87Å; L390-F411 HydrophobicContact CD1-CZ 3.71Å; L390-F411 HydrophobicContact CG-CD1 4.08Å; L390-F411 HydrophobicContact CG-CD2 4.46Å; L390-F411 HydrophobicContact CG-CE1 3.7Å; L390-F411 HydrophobicContact CG-CE2 4.1Å; L390-F411 HydrophobicContact CG-CG 4.43Å; L390-F411 HydrophobicContact CG-CZ 3.7Å
391	I	98.3	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.7	173.7	-57.9	168.8	0	0	0	108	V379 E380 I382 P399 V400 V401 I417 V426 L437	V379-I391 WeakPolarHBondContact CA-O 3.39Å; E380-I391 HydrophobicContact CB-CB 4.33Å; E380-I391 PolarHBondContact N-O 2.98Å; E380-I391 PolarHBondContact O-N 2.87Å; I382-I391 HydrophobicContact CD1-CD1 3.76Å; I382-I391 HydrophobicContact CD1-CG1 4.43Å; I382-I391 HydrophobicContact CG1-CD1 4.43Å; I391-P399 HydrophobicContact CG2-CB 4.24Å; I391-V400 CarbonylContact C-O 3.57Å; I391-V400 WeakPolarHBondContact CA-O 3.15Å; I391-V401 HydrophobicContact CG1-CG2 4.36Å; I391-I417 HydrophobicContact CB-CD1 4.4Å; I391-I417 HydrophobicContact CD1-CD1 3.78Å; I391-I417 HydrophobicContact CG1-CD1 4.06Å; I391-I417 HydrophobicContact CG2-CD1 3.48Å; I391-I417 VanDerWaalsContact CG2-CD1 3.48Å; I391-V426 HydrophobicContact CD1-CG1 4.1Å; I391-V426 HydrophobicContact CG2-CB 4.1Å; I391-V426 HydrophobicContact CG2-CG1 4.13Å; I391-V426 HydrophobicContact CG2-CG2 4.01Å; I391-L437 HydrophobicContact CD1-CD1 3.93Å; I391-L437 HydrophobicContact CD1-CD2 4.12Å
392	L	98.4	Very high	95.1	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.7	173.3	-56.4	-177	0	0	0	110.2	T354 L370 H371 V379 P399 V400 Y402	T354-L392 HydrophobicContact CG2-CD1 4.2Å; T354-L392 HydrophobicContact CG2-CD2 3.93Å; L370-L392 HydrophobicContact CB-CD1 4.05Å; L370-L392 HydrophobicContact CD1-CD1 4.37Å; H371-L392 HydrophobicContact CB-CD1 3.75Å; V379-L392 HydrophobicContact CB-CD2 3.55Å; V379-L392 HydrophobicContact CG2-CD2 3.49Å; V379-L392 VanDerWaalsContact CG2-CD2 3.49Å; L392-P399 VanDerWaalsContact O-CA 3.27Å; L392-P399 WeakPolarHBondContact O-CA 3.36Å; L392-V400 HydrophobicContact CB-CG2 3.76Å; L392-V400 HydrophobicContact CG-CG2 4.42Å; L392-V400 PolarHBondContact N-O 2.88Å; L392-V400 PolarHBondContact O-N 2.9Å; L392-Y402 HydrophobicContact CD1-CD2 4.27Å; L392-Y402 HydrophobicContact CD1-CE2 3.7Å; L392-Y402 HydrophobicContact CG-CD2 4.36Å; L392-Y402 HydrophobicContact CG-CE2 4.17Å
393	S	98.1	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.1	168.5	-56	0	0	0	0	108.8	D376 T377 H378 V423 V426	D376-S393 CarbonylContact C-O 3.6Å; D376-S393 WeakPolarHBondContact CA-O 3.41Å; T377-S393 PolarHBondContact N-O 2.89Å; T377-S393 PolarHBondContact OG1-O 2.84Å; H378-S393 PolarHBondContact N-O 3.23Å; H378-S393 PolarHBondContact O-N 2.94Å; S393-V423 WeakPolarHBondContact CB-O 3.32Å; S393-V426 WeakPolarHBondContact OG-CG2 3.27Å
394	S	96.9	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.5	-175.5	-31.5	0	0	0	0	111.4	H371 R375 D376 S396 Q397	H371-S394 PolarHBondContact CE1-OG 2.95Å; H371-S394 PolarHBondContact ND1-OG 3.36Å; R375-S394 CarbonylContact O-C 3.53Å; R375-S394 VanDerWaalsContact O-CA 3.23Å; R375-S394 WeakPolarHBondContact O-CA 3.34Å; R375-S394 WeakPolarHBondContact O-CB 3.49Å; D376-S394 WeakPolarHBondContact OD1-CB 3.49Å; D376-S394 PolarHBondContact OD1-OG 2.78Å; S394-S396 PolarHBondContact O-N 3.35Å; S394-Q397 PolarHBondContact O-N 2.92Å
395	A	95.4	Very high	95.7	Very high	36 Å²	36	30.7 Å²	30.7	30%	0.298	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	130.6	179.2	0	0	0	0	0	111.4	R375 Q397	R375-A395 HydrophobicContact CB-CB 4.09Å; R375-A395 PolarHBondContact O-N 2.89Å; A395-Q397 PolarHBondContact O-N 3.15Å
396	S	93.1	Very high	96	Very high	77 Å²	77	33.6 Å²	33.6	54%	0.538	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	26.2	178.5	-49.2	0	0	0	0	115	S394 D422	S394-S396 PolarHBondContact O-N 3.35Å; S396-D422 WeakPolarHBondContact CA-OD1 3.44Å; S396-D422 PolarHBondContact N-OD1 2.96Å; S396-D422 PolarHBondContact OG-OD1 2.57Å
397	Q	95.2	Very high	96.2	Very high	78 Å²	78	39.4 Å²	39.4	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-137.1	155.6	179.8	-62.6	-67.3	-56.4	0	0	111.2	S394 A395 D422	S394-Q397 PolarHBondContact O-N 2.92Å; A395-Q397 PolarHBondContact O-N 3.15Å; Q397-D422 PolarHBondContact O-N 2.61Å
398	P	96.4	Very high	96.3	Very high	27 Å²	27	39.1 Å²	39.1	18%	0.175	20%	0.201	C	C	.	.			trans	-71.4	150.6	171.8	28.9	-33.4	0	0	0	111.7	V400 I416 T418	P398-V400 PolarHBondContact O-N 2.94Å; P398-I416 HydrophobicContact CG-CG2 4.44Å; P398-T418 WeakPolarHBondContact CB-O 3.38Å
399	P	97.4	Very high	96.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.			trans	-61.2	127.7	172.6	-22.6	32.4	0	0	0	112.1	I391 L392 I416 I417 L420 V423 V426 L439	I391-P399 HydrophobicContact CG2-CB 4.24Å; L392-P399 VanDerWaalsContact O-CA 3.27Å; L392-P399 WeakPolarHBondContact O-CA 3.36Å; P399-I416 WeakPolarHBondContact O-CA 3.22Å; P399-I417 HydrophobicContact CB-CB 4.34Å; P399-I417 HydrophobicContact CB-CD1 4.05Å; P399-I417 HydrophobicContact CB-CG1 4.29Å; P399-I417 PolarHBondContact O-N 3.01Å; P399-L420 WeakPolarHBondContact CD-O 3.03Å; P399-V423 HydrophobicContact CG-CB 3.66Å; P399-V423 HydrophobicContact CG-CG1 3.87Å; P399-V423 HydrophobicContact CG-CG2 3.65Å; P399-V426 HydrophobicContact CB-CG2 4.36Å; P399-V426 HydrophobicContact CG-CG2 4.4Å; P399-L439 HydrophobicContact CG-CD2 4.31Å
400	V	97.4	Very high	96.2	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142	-179.1	-61.8	0	0	0	0	111	I391 L392 P398 Y402 F413 I416	I391-V400 CarbonylContact C-O 3.57Å; I391-V400 WeakPolarHBondContact CA-O 3.15Å; L392-V400 HydrophobicContact CB-CG2 3.76Å; L392-V400 HydrophobicContact CG-CG2 4.42Å; L392-V400 PolarHBondContact N-O 2.88Å; L392-V400 PolarHBondContact O-N 2.9Å; P398-V400 PolarHBondContact O-N 2.94Å; V400-Y402 HydrophobicContact CB-CE2 4.43Å; V400-Y402 HydrophobicContact CG2-CD2 4.34Å; V400-Y402 HydrophobicContact CG2-CE2 3.64Å; V400-F413 HydrophobicContact CB-CE2 4.31Å; V400-F413 HydrophobicContact CG1-CE2 4.32Å; V400-I416 HydrophobicContact CG1-CG2 4.04Å
401	V	97.3	Very high	96.2	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.3	179.1	-171.4	0	0	0	0	109	H389 L390 I391 H414 S415 I417	H389-V401 HydrophobicContact CB-CG1 4.06Å; L390-V401 WeakPolarHBondContact O-CA 2.94Å; I391-V401 HydrophobicContact CG1-CG2 4.36Å; V401-H414 WeakPolarHBondContact O-CB 3.37Å; V401-H414 PolarHBondContact O-N 3.35Å; V401-S415 PolarHBondContact N-O 2.93Å; V401-S415 PolarHBondContact O-N 2.93Å; V401-I417 HydrophobicContact CG2-CD1 3.98Å; V401-I417 HydrophobicContact CG2-CG1 3.39Å
402	Y	98.1	Very high	96.1	Very high	22 Å²	22	48.6 Å²	48.6	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.7	167	-66	-101.1	0	0	0	109.6	L370 H371 H389 L390 L392 V400 F411 A412 F413	L370-Y402 HydrophobicContact CD1-CD1 4.49Å; L370-Y402 HydrophobicContact CD1-CD2 4.35Å; L370-Y402 HydrophobicContact CD1-CG 4.32Å; L370-Y402 HydrophobicContact CD2-CD1 3.92Å; L370-Y402 HydrophobicContact CD2-CE1 3.87Å; H371-Y402 PolarHBondContact N-OH 3.19Å; H389-Y402 CarbonylContact C-O 3.3Å; H389-Y402 WeakPolarHBondContact CA-O 3.38Å; H389-Y402 VanDerWaalsContact CB-O 3.29Å; H389-Y402 WeakPolarHBondContact CB-O 3.17Å; L390-Y402 PolarHBondContact N-O 2.89Å; L390-Y402 PolarHBondContact O-N 3.28Å; L392-Y402 HydrophobicContact CD1-CD2 4.27Å; L392-Y402 HydrophobicContact CD1-CE2 3.7Å; L392-Y402 HydrophobicContact CG-CD2 4.36Å; L392-Y402 HydrophobicContact CG-CE2 4.17Å; V400-Y402 HydrophobicContact CB-CE2 4.43Å; V400-Y402 HydrophobicContact CG2-CD2 4.34Å; V400-Y402 HydrophobicContact CG2-CE2 3.64Å; Y402-F411 HydrophobicContact CD1-CB 4.48Å; Y402-A412 CarbonylContact C-O 3.43Å; Y402-A412 VanDerWaalsContact CA-O 3.23Å; Y402-A412 WeakPolarHBondContact CA-O 3.43Å; Y402-F413 HydrophobicContact CD1-CB 4.39Å; Y402-F413 HydrophobicContact CE1-CB 4.18Å
403	Q	96.8	Very high	96.1	Very high	53 Å²	53	54.6 Å²	54.6	25%	0.248	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.3	176.9	-178	171.7	58.5	0	0	110.2	H389 N405 F411 A412 H414	H389-Q403 PolarHBondContact NE2-NE2 2.93Å; Q403-N405 PolarHBondContact O-N 3.21Å; Q403-F411 WeakPolarHBondContact O-CA 3.36Å; Q403-A412 PolarHBondContact N-O 2.95Å; Q403-A412 PolarHBondContact O-N 2.82Å; Q403-H414 HydrophobicContact CB-CB 3.85Å; Q403-H414 PolarHBondContact OE1-ND1 2.88Å
404	W	97.2	Very high	96	Very high	14 Å²	14	59.2 Å²	59.2	5%	0.053	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	119.5	177.1	-178.4	-116.6	0	0	0	111.4	L337 D338 H367 P388 K409 F411	L337-W404 HydrophobicContact CD1-CD2 4.21Å; L337-W404 HydrophobicContact CD1-CE3 4.23Å; L337-W404 HydrophobicContact CD1-CZ3 4.43Å; D338-W404 PolarHBondContact OD2-NE1 3.42Å; H367-W404 AromaticContact NE2-CH2 3.76Å; H367-W404 AromaticContact NE2-CZ3 3.99Å; P388-W404 HydrophobicContact CB-CB 3.86Å; P388-W404 HydrophobicContact CG-CB 4Å; P388-W404 HydrophobicContact CG-CG 4.32Å; P388-W404 PolarHBondContact O-N 3.15Å; W404-K409 HydrophobicContact CH2-CB 3.88Å; W404-K409 WeakPolarHBondContact CH2-O 3.13Å; W404-K409 VanDerWaalsContact CZ2-CA 3.48Å; W404-K409 HydrophobicContact CZ2-CB 3.78Å; W404-K409 HydrophobicContact CZ2-CG 4.27Å; W404-K409 VanDerWaalsContact CZ3-O 3.31Å; W404-K409 WeakPolarHBondContact CZ3-O 2.99Å; W404-F411 HydrophobicContact CB-CD1 4.22Å; W404-F411 HydrophobicContact CB-CE1 3.84Å; W404-F411 HydrophobicContact CB-CZ 4.21Å; W404-F411 HydrophobicContact CD2-CE2 4.46Å; W404-F411 HydrophobicContact CE3-CD1 4.41Å; W404-F411 AromaticContact CE3-CD2 3.53Å; W404-F411 HydrophobicContact CE3-CD2 3.53Å; W404-F411 HydrophobicContact CE3-CE1 4.35Å; W404-F411 AromaticContact CE3-CE2 3.47Å; W404-F411 HydrophobicContact CE3-CE2 3.47Å; W404-F411 VanDerWaalsContact CE3-CE2 3.47Å; W404-F411 HydrophobicContact CE3-CG 4.03Å; W404-F411 AromaticContact CE3-CZ 3.91Å; W404-F411 HydrophobicContact CE3-CZ 3.91Å; W404-F411 AromaticContact CZ3-CD2 3.82Å; W404-F411 HydrophobicContact CZ3-CD2 3.82Å; W404-F411 AromaticContact CZ3-CE2 3.82Å; W404-F411 HydrophobicContact CZ3-CE2 3.82Å
405	N	95.8	Very high	95.9	Very high	50 Å²	50	61.3 Å²	61.3	27%	0.267	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	105.3	169.8	-175.9	-19.9	0	0	0	109.3	Q403 N407 Q408 K409 Q410	Q403-N405 PolarHBondContact O-N 3.21Å; N405-N407 PolarHBondContact O-N 3.43Å; N405-N407 WeakPolarHBondContact OD1-CB 3.12Å; N405-N407 PolarHBondContact OD1-N 3.5Å; N405-Q408 HydrophobicContact CB-CB 4.36Å; N405-Q408 PolarHBondContact ND2-OE1 3Å; N405-Q408 PolarHBondContact O-N 2.88Å; N405-Q408 PolarHBondContact OD1-N 2.81Å; N405-K409 VanDerWaalsContact O-CA 3.3Å; N405-K409 WeakPolarHBondContact O-CA 3.25Å; N405-K409 PolarHBondContact O-N 2.81Å; N405-Q410 WeakPolarHBondContact CB-O 3.31Å; N405-Q410 PolarHBondContact N-O 2.71Å; N405-Q410 PolarHBondContact O-N 3.37Å
406	R	92.1	Very high	95.9	Very high	141 Å²	141	62.5 Å²	62.5	53%	0.532	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.9	-179.5	-65.9	-175.5	-176.9	-136.6	4	113.6	D338 G386	D338-R406 IonicContact OD1-NH1 3.82Å; G386-R406 PolarHBondContact O-NH2 3.03Å
407	N	93	Very high	95.8	Very high	157 Å²	157	59.9 Å²	59.9	84%	0.84	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-42.4	-179.5	-64.1	-21.4	0	0	0	111.5	N405	N405-N407 PolarHBondContact O-N 3.43Å; N405-N407 WeakPolarHBondContact OD1-CB 3.12Å; N405-N407 PolarHBondContact OD1-N 3.5Å
408	Q	94.1	Very high	95.6	Very high	121 Å²	121	57.9 Å²	57.9	57%	0.565	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-11.4	179.4	-68	177.8	-35	0	0	112.5	N405 Q410	N405-Q408 HydrophobicContact CB-CB 4.36Å; N405-Q408 PolarHBondContact ND2-OE1 3Å; N405-Q408 PolarHBondContact O-N 2.88Å; N405-Q408 PolarHBondContact OD1-N 2.81Å; Q408-Q410 HydrophobicContact CB-CB 4.26Å; Q408-Q410 PolarHBondContact O-N 3.47Å
409	K	93.9	Very high	95.4	Very high	90 Å²	90	64 Å²	64	39%	0.391	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	45.9	-166.6	-63.4	-169.6	169.6	-159.4	0	111.3	E340 H367 W404 N405	E340-K409 IonicContact OE2-NZ 3.78Å; H367-K409 PolarHBondContact CE1-O 3.03Å; H367-K409 PolarHBondContact NE2-O 2.85Å; W404-K409 HydrophobicContact CH2-CB 3.88Å; W404-K409 WeakPolarHBondContact CH2-O 3.13Å; W404-K409 VanDerWaalsContact CZ2-CA 3.48Å; W404-K409 HydrophobicContact CZ2-CB 3.78Å; W404-K409 HydrophobicContact CZ2-CG 4.27Å; W404-K409 VanDerWaalsContact CZ3-O 3.31Å; W404-K409 WeakPolarHBondContact CZ3-O 2.99Å; N405-K409 VanDerWaalsContact O-CA 3.3Å; N405-K409 WeakPolarHBondContact O-CA 3.25Å; N405-K409 PolarHBondContact O-N 2.81Å
410	Q	96.6	Very high	95.1	Very high	85 Å²	85	65.2 Å²	65.2	40%	0.397	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.7	-177.8	-75.3	-179.2	1.1	0	0	110.4	N405 Q408	N405-Q410 WeakPolarHBondContact CB-O 3.31Å; N405-Q410 PolarHBondContact N-O 2.71Å; N405-Q410 PolarHBondContact O-N 3.37Å; Q408-Q410 HydrophobicContact CB-CB 4.26Å; Q408-Q410 PolarHBondContact O-N 3.47Å
411	F	97.9	Very high	94.9	Very high	3 Å²	3	66.3 Å²	66.3	1%	0.013	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.6	171.5	-79.9	-79.4	0	0	0	110.5	F335 L337 I356 Q368 L370 F381 L390 Y402 Q403 W404	F335-F411 HydrophobicContact CE2-CE2 4.12Å; F335-F411 HydrophobicContact CE2-CZ 4.39Å; F335-F411 HydrophobicContact CZ-CE2 4.17Å; L337-F411 HydrophobicContact CD1-CE2 3.92Å; L337-F411 HydrophobicContact CD1-CZ 3.77Å; I356-F411 HydrophobicContact CD1-CD2 3.48Å; I356-F411 VanDerWaalsContact CD1-CD2 3.48Å; I356-F411 HydrophobicContact CD1-CE2 4.02Å; I356-F411 HydrophobicContact CD1-CG 4.34Å; Q368-F411 PolarHBondContact NE2-O 2.94Å; L370-F411 HydrophobicContact CD1-CB 4.47Å; L370-F411 HydrophobicContact CD2-CB 4.24Å; F381-F411 HydrophobicContact CE2-CZ 4.44Å; L390-F411 HydrophobicContact CB-CD1 4.34Å; L390-F411 HydrophobicContact CB-CE1 4.29Å; L390-F411 HydrophobicContact CD1-CD1 4.02Å; L390-F411 HydrophobicContact CD1-CD2 3.65Å; L390-F411 HydrophobicContact CD1-CE1 3.96Å; L390-F411 HydrophobicContact CD1-CE2 3.56Å; L390-F411 HydrophobicContact CD1-CG 3.87Å; L390-F411 HydrophobicContact CD1-CZ 3.71Å; L390-F411 HydrophobicContact CG-CD1 4.08Å; L390-F411 HydrophobicContact CG-CD2 4.46Å; L390-F411 HydrophobicContact CG-CE1 3.7Å; L390-F411 HydrophobicContact CG-CE2 4.1Å; L390-F411 HydrophobicContact CG-CG 4.43Å; L390-F411 HydrophobicContact CG-CZ 3.7Å; Y402-F411 HydrophobicContact CD1-CB 4.48Å; Q403-F411 WeakPolarHBondContact O-CA 3.36Å; W404-F411 HydrophobicContact CB-CD1 4.22Å; W404-F411 HydrophobicContact CB-CE1 3.84Å; W404-F411 HydrophobicContact CB-CZ 4.21Å; W404-F411 HydrophobicContact CD2-CE2 4.46Å; W404-F411 HydrophobicContact CE3-CD1 4.41Å; W404-F411 AromaticContact CE3-CD2 3.53Å; W404-F411 HydrophobicContact CE3-CD2 3.53Å; W404-F411 HydrophobicContact CE3-CE1 4.35Å; W404-F411 AromaticContact CE3-CE2 3.47Å; W404-F411 HydrophobicContact CE3-CE2 3.47Å; W404-F411 VanDerWaalsContact CE3-CE2 3.47Å; W404-F411 HydrophobicContact CE3-CG 4.03Å; W404-F411 AromaticContact CE3-CZ 3.91Å; W404-F411 HydrophobicContact CE3-CZ 3.91Å; W404-F411 AromaticContact CZ3-CD2 3.82Å; W404-F411 HydrophobicContact CZ3-CD2 3.82Å; W404-F411 AromaticContact CZ3-CE2 3.82Å; W404-F411 HydrophobicContact CZ3-CE2 3.82Å
412	A	97.7	Very high	94.7	Very high	44 Å²	44	68.7 Å²	68.7	36%	0.364	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.4	174.2	0	0	0	0	0	109.9	Y402 Q403 H414	Y402-A412 CarbonylContact C-O 3.43Å; Y402-A412 VanDerWaalsContact CA-O 3.23Å; Y402-A412 WeakPolarHBondContact CA-O 3.43Å; Q403-A412 PolarHBondContact N-O 2.95Å; Q403-A412 PolarHBondContact O-N 2.82Å; A412-H414 PolarHBondContact O-N 2.75Å
413	F	97.3	Very high	94.6	Very high	126 Å²	126	67.6 Å²	67.6	55%	0.553	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	130.8	172.8	173.9	-95.3	0	0	0	109.6	V400 Y402 I416	V400-F413 HydrophobicContact CB-CE2 4.31Å; V400-F413 HydrophobicContact CG1-CE2 4.32Å; Y402-F413 HydrophobicContact CD1-CB 4.39Å; Y402-F413 HydrophobicContact CE1-CB 4.18Å; F413-I416 HydrophobicContact CE2-CG2 4.41Å; F413-I416 HydrophobicContact CZ-CG2 4.34Å
414	H	95.3	Very high	94.5	Very high	97 Å²	97	67 Å²	67	45%	0.449	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-55.8	-177.7	-178.3	70.8	0	0	0	111.5	V401 Q403 A412	V401-H414 WeakPolarHBondContact O-CB 3.37Å; V401-H414 PolarHBondContact O-N 3.35Å; Q403-H414 HydrophobicContact CB-CB 3.85Å; Q403-H414 PolarHBondContact OE1-ND1 2.88Å; A412-H414 PolarHBondContact O-N 2.75Å
415	S	95	Very high	94.5	Very high	44 Å²	44	67.3 Å²	67.3	31%	0.308	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	179.8	-176.6	66.9	0	0	0	0	111.8	V401	V401-S415 PolarHBondContact N-O 2.93Å; V401-S415 PolarHBondContact O-N 2.93Å
416	I	95.3	Very high	94.6	Very high	61 Å²	61	64.9 Å²	64.9	31%	0.313	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.5	162.8	59.9	173.4	0	0	0	109.3	P398 P399 V400 F413 E419	P398-I416 HydrophobicContact CG-CG2 4.44Å; P399-I416 WeakPolarHBondContact O-CA 3.22Å; V400-I416 HydrophobicContact CG1-CG2 4.04Å; F413-I416 HydrophobicContact CE2-CG2 4.41Å; F413-I416 HydrophobicContact CZ-CG2 4.34Å; I416-E419 WeakPolarHBondContact CD1-OE1 3.47Å
417	I	92	Very high	94.9	Very high	23 Å²	23	59.8 Å²	59.8	12%	0.118	31%	0.306	C	S	.	.	S	Bend	trans	-77.6	-44.4	-179.9	-60.1	-177.6	0	0	0	110.9	I391 P399 V401 L437 L439 L449 F456	I391-I417 HydrophobicContact CB-CD1 4.4Å; I391-I417 HydrophobicContact CD1-CD1 3.78Å; I391-I417 HydrophobicContact CG1-CD1 4.06Å; I391-I417 HydrophobicContact CG2-CD1 3.48Å; I391-I417 VanDerWaalsContact CG2-CD1 3.48Å; P399-I417 HydrophobicContact CB-CB 4.34Å; P399-I417 HydrophobicContact CB-CD1 4.05Å; P399-I417 HydrophobicContact CB-CG1 4.29Å; P399-I417 PolarHBondContact O-N 3.01Å; V401-I417 HydrophobicContact CG2-CD1 3.98Å; V401-I417 HydrophobicContact CG2-CG1 3.39Å; I417-L437 HydrophobicContact CD1-CD1 3.79Å; I417-L437 HydrophobicContact CG2-CD1 4.43Å; I417-L439 HydrophobicContact CG2-CD2 4.34Å; I417-L449 HydrophobicContact CG2-CD2 4.34Å; I417-F456 HydrophobicContact CG2-CB 4.29Å; I417-F456 HydrophobicContact CG2-CD2 4.22Å; I417-F456 HydrophobicContact CG2-CG 4.45Å
418	T	91.4	Very high	95.1	Very high	35 Å²	35	54.9 Å²	54.9	22%	0.215	28%	0.278	C	S	.	.			trans	-160.3	155.5	-175.2	178.7	0	0	0	0	108.7	P398 L420 L439	P398-T418 WeakPolarHBondContact CB-O 3.38Å; T418-L420 HydrophobicContact CG2-CB 3.59Å; T418-L420 PolarHBondContact O-N 3.29Å; T418-L420 VanDerWaalsContact O-N 3.17Å; T418-L420 PolarHBondContact OG1-N 2.85Å; T418-L439 HydrophobicContact CG2-CD2 3.53Å
419	E	92.4	Very high	95.3	Very high	155 Å²	155	49.6 Å²	49.6	72%	0.724	25%	0.253	S	S	*	.	S	Bend	trans	-72.7	2.7	173	-59.1	-62.2	165	0	0	113.1	I416 A421	I416-E419 WeakPolarHBondContact CD1-OE1 3.47Å; E419-A421 PolarHBondContact O-N 3.15Å; E419-A421 VanDerWaalsContact O-N 3.12Å
420	L	91.1	Very high	95.4	Very high	26 Å²	26	50.4 Å²	50.4	14%	0.136	25%	0.254	C	S	.	.			trans	-68.8	108.6	178.6	-170.6	64.6	0	0	0	110.9	P399 T418 V423 K447	P399-L420 WeakPolarHBondContact CD-O 3.03Å; T418-L420 HydrophobicContact CG2-CB 3.59Å; T418-L420 PolarHBondContact O-N 3.29Å; T418-L420 VanDerWaalsContact O-N 3.17Å; T418-L420 PolarHBondContact OG1-N 2.85Å; L420-V423 HydrophobicContact CB-CG2 4.44Å; L420-V423 HydrophobicContact CD2-CG2 4.1Å; L420-V423 HydrophobicContact CG-CG2 4.17Å; L420-K447 HydrophobicContact CD2-CD 3.66Å; L420-K447 HydrophobicContact CD2-CG 4.04Å
421	A	92.1	Very high	95.4	Very high	35 Å²	35	47.1 Å²	47.1	29%	0.289	24%	0.239	S	C	.	.			trans	-76.4	164.9	172.3	0	0	0	0	0	112.8	E419 V423 R441	E419-A421 PolarHBondContact O-N 3.15Å; E419-A421 VanDerWaalsContact O-N 3.12Å; A421-V423 PolarHBondContact O-N 3.43Å; A421-R441 PolarHBondContact O-NE 3.32Å
422	D	93.3	Very high	95	Very high	60 Å²	60	55.4 Å²	55.4	32%	0.321	27%	0.271	S	S	.	.			trans	61.1	28.8	175.8	-62.1	-53.3	0	0	0	114.5	S396 Q397 Q424	S396-D422 WeakPolarHBondContact CA-OD1 3.44Å; S396-D422 PolarHBondContact N-OD1 2.96Å; S396-D422 PolarHBondContact OG-OD1 2.57Å; Q397-D422 PolarHBondContact O-N 2.61Å; D422-Q424 PolarHBondContact O-N 3.4Å
423	V	96.6	Very high	94.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	117.7	163.7	177.5	0	0	0	0	107.5	S393 P399 L420 A421 M425 V426 L439 T440 R441	S393-V423 WeakPolarHBondContact CB-O 3.32Å; P399-V423 HydrophobicContact CG-CB 3.66Å; P399-V423 HydrophobicContact CG-CG1 3.87Å; P399-V423 HydrophobicContact CG-CG2 3.65Å; L420-V423 HydrophobicContact CB-CG2 4.44Å; L420-V423 HydrophobicContact CD2-CG2 4.1Å; L420-V423 HydrophobicContact CG-CG2 4.17Å; A421-V423 PolarHBondContact O-N 3.43Å; V423-M425 WeakPolarHBondContact CG1-O 3.31Å; V423-V426 HydrophobicContact CG1-CG2 3.84Å; V423-L439 HydrophobicContact CG1-CB 4.04Å; V423-L439 HydrophobicContact CG1-CG 4.06Å; V423-L439 HydrophobicContact CG2-CB 4.32Å; V423-L439 HydrophobicContact CG2-CD2 4.2Å; V423-L439 HydrophobicContact CG2-CG 4.39Å; V423-T440 CarbonylContact C-O 3.27Å; V423-T440 WeakPolarHBondContact CA-O 3.2Å; V423-R441 HydrophobicContact CG2-CG 4.46Å
424	Q	95	Very high	94.6	Very high	41 Å²	41	59 Å²	59	19%	0.192	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-39.2	-179.4	-66.3	-59.5	-52.7	0	0	111.5	T377 D422 T440 F442	T377-Q424 WeakPolarHBondContact CB-O 3.25Å; T377-Q424 PolarHBondContact OG1-O 3.21Å; D422-Q424 PolarHBondContact O-N 3.4Å; Q424-T440 PolarHBondContact N-O 3.17Å; Q424-F442 HydrophobicContact CG-CB 4.18Å
425	M	96.9	Very high	94.7	Very high	19 Å²	19	54.4 Å²	54.4	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	146.3	-175.1	179.7	155.9	74.9	0	0	110.7	H378 V423 K427 T440 V470	H378-M425 HydrophobicContact CB-CB 4.24Å; H378-M425 HydrophobicContact CB-CG 4.23Å; H378-M425 PolarHBondContact CD2-SD 2.86Å; H378-M425 PolarHBondContact NE2-SD 3.36Å; V423-M425 WeakPolarHBondContact CG1-O 3.31Å; M425-K427 HydrophobicContact CE-CG 4.28Å; M425-K427 HydrophobicContact CG-CG 4.19Å; M425-K427 HydrophobicContact SD-CG 4.29Å; M425-T440 PolarHBondContact O-N 2.77Å; M425-V470 HydrophobicContact CE-CB 4.17Å; M425-V470 HydrophobicContact CE-CG1 3.55Å; M425-V470 WeakPolarHBondContact CE-O 3.39Å
426	V	97.9	Very high	94.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.2	168.8	175.8	0	0	0	0	108	H378 E380 I391 S393 P399 V423 L437 C438 L439	H378-V426 PolarHBondContact CE1-O 3.22Å; H378-V426 PolarHBondContact ND1-O 2.67Å; E380-V426 WeakPolarHBondContact CB-O 3.41Å; I391-V426 HydrophobicContact CD1-CG1 4.1Å; I391-V426 HydrophobicContact CG2-CB 4.1Å; I391-V426 HydrophobicContact CG2-CG1 4.13Å; I391-V426 HydrophobicContact CG2-CG2 4.01Å; S393-V426 WeakPolarHBondContact OG-CG2 3.27Å; P399-V426 HydrophobicContact CB-CG2 4.36Å; P399-V426 HydrophobicContact CG-CG2 4.4Å; V423-V426 HydrophobicContact CG1-CG2 3.84Å; V426-L437 HydrophobicContact CG1-CB 4.4Å; V426-L437 HydrophobicContact CG1-CD1 4.3Å; V426-L437 HydrophobicContact CG1-CD2 4.06Å; V426-L437 HydrophobicContact CG1-CG 4.5Å; V426-C438 WeakPolarHBondContact CA-O 3.34Å; V426-L439 HydrophobicContact CG1-CD1 4.14Å; V426-L439 HydrophobicContact CG2-CD1 3.99Å; V426-L439 HydrophobicContact CG2-CG 3.94Å
427	K	98.3	Very high	94.9	Very high	33 Å²	33	49.5 Å²	49.5	14%	0.143	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.5	170.2	-75.5	-74.2	164.4	-152.6	0	110	H378 E380 M425 L437 C438 V470 P472	H378-K427 PolarHBondContact CE1-NZ 2.81Å; H378-K427 VanDerWaalsContact NE2-CE 3.29Å; H378-K427 WeakPolarHBondContact NE2-CE 3.47Å; H378-K427 PolarHBondContact NE2-NZ 2.89Å; H378-K427 VanDerWaalsContact NE2-NZ 3.14Å; E380-K427 WeakPolarHBondContact OE2-CD 3.37Å; E380-K427 IonicContact OE2-NZ 3.21Å; E380-K427 PolarHBondContact OE2-NZ 2.83Å; M425-K427 HydrophobicContact CE-CG 4.28Å; M425-K427 HydrophobicContact CG-CG 4.19Å; M425-K427 HydrophobicContact SD-CG 4.29Å; K427-L437 CarbonylContact O-C 3.59Å; K427-L437 WeakPolarHBondContact O-CA 3.46Å; K427-C438 PolarHBondContact N-O 2.85Å; K427-C438 PolarHBondContact O-N 2.8Å; K427-V470 HydrophobicContact CB-CG1 4.22Å; K427-V470 HydrophobicContact CG-CG1 4.05Å; K427-P472 HydrophobicContact CB-CG 4.04Å
428	H	98	Very high	95.2	Very high	55 Å²	55	48.4 Å²	48.4	26%	0.255	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	156.8	176.5	80.9	-78.5	0	0	0	112.4	E380 I382 W430 L435 Y436 L437 P472	E380-H428 IonicContact OE1-CE1 2.79Å; E380-H428 IonicContact OE1-CG 3.23Å; E380-H428 PolarHBondContact OE1-N 3.46Å; E380-H428 IonicContact OE1-ND1 3.82Å; E380-H428 PolarHBondContact OE1-ND1 3.24Å; I382-H428 HydrophobicContact CG2-CB 3.74Å; I382-H428 VanDerWaalsContact CG2-CG 3.49Å; H428-W430 AromaticContact CD2-CD1 3.88Å; H428-W430 AromaticContact CD2-NE1 3.4Å; H428-W430 PolarHBondContact CD2-NE1 2.79Å; H428-W430 AromaticContact NE2-NE1 3.67Å; H428-L435 HydrophobicContact CB-CD1 3.98Å; H428-Y436 WeakPolarHBondContact CA-O 3.19Å; H428-L437 HydrophobicContact CB-CD2 3.55Å; H428-P472 WeakPolarHBondContact O-CG 3.44Å
429	F	97.6	Very high	95.6	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	162.1	169.5	66.3	-80.3	0	0	0	111.1	V431 Y436 I448 P472 Q479 W495 F502	F429-V431 HydrophobicContact CD2-CG2 3.85Å; F429-V431 HydrophobicContact CE2-CG2 3.83Å; F429-Y436 HydrophobicContact CD2-CD2 4.32Å; F429-Y436 HydrophobicContact CD2-CG 4.47Å; F429-Y436 HydrophobicContact CE1-CG 4.3Å; F429-Y436 AromaticContact CE2-CD2 3.86Å; F429-Y436 HydrophobicContact CE2-CD2 3.86Å; F429-Y436 AromaticContact CE2-CG 3.78Å; F429-Y436 HydrophobicContact CE2-CG 3.78Å; F429-Y436 HydrophobicContact CZ-CD1 4.22Å; F429-Y436 HydrophobicContact CZ-CD2 4.25Å; F429-Y436 AromaticContact CZ-CG 3.67Å; F429-Y436 HydrophobicContact CZ-CG 3.67Å; F429-Y436 PolarHBondContact N-O 2.87Å; F429-Y436 PolarHBondContact O-N 2.79Å; F429-I448 HydrophobicContact CE1-CG2 4.32Å; F429-I448 HydrophobicContact CZ-CG2 4.08Å; F429-P472 HydrophobicContact CB-CB 3.58Å; F429-P472 HydrophobicContact CB-CG 3.81Å; F429-P472 HydrophobicContact CD1-CB 3.84Å; F429-P472 HydrophobicContact CD1-CG 4.12Å; F429-P472 HydrophobicContact CG-CB 3.83Å; F429-P472 HydrophobicContact CG-CG 4.32Å; F429-Q479 HydrophobicContact CD2-CG 4.26Å; F429-W495 HydrophobicContact CE2-CE3 4.27Å; F429-W495 HydrophobicContact CE2-CZ3 4.1Å; F429-W495 HydrophobicContact CZ-CZ3 4.11Å; F429-F502 HydrophobicContact CE1-CE2 4.01Å; F429-F502 AromaticContact CE2-CE2 3.89Å; F429-F502 HydrophobicContact CE2-CE2 3.89Å; F429-F502 AromaticContact CE2-CZ 3.92Å; F429-F502 HydrophobicContact CE2-CZ 3.92Å; F429-F502 AromaticContact CZ-CE2 3.44Å; F429-F502 HydrophobicContact CZ-CE2 3.44Å; F429-F502 VanDerWaalsContact CZ-CE2 3.44Å; F429-F502 AromaticContact CZ-CZ 3.94Å; F429-F502 HydrophobicContact CZ-CZ 3.94Å
430	W	96.1	Very high	95.8	Very high	107 Å²	107	39.4 Å²	39.4	41%	0.405	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.5	-177.2	-64	89.3	0	0	0	110.3	H428 K433 V434 L435	H428-W430 AromaticContact CD2-CD1 3.88Å; H428-W430 AromaticContact CD2-NE1 3.4Å; H428-W430 PolarHBondContact CD2-NE1 2.79Å; H428-W430 AromaticContact NE2-NE1 3.67Å; W430-K433 WeakPolarHBondContact CZ3-O 3.25Å; W430-V434 WeakPolarHBondContact CA-O 3.28Å; W430-L435 HydrophobicContact CD2-CB 4.34Å; W430-L435 HydrophobicContact CD2-CD1 4.19Å; W430-L435 HydrophobicContact CE3-CB 3.9Å; W430-L435 HydrophobicContact CH2-CB 3.74Å; W430-L435 HydrophobicContact CH2-CD1 4.25Å; W430-L435 HydrophobicContact CH2-CD2 4.42Å; W430-L435 HydrophobicContact CH2-CG 4.36Å; W430-L435 HydrophobicContact CZ2-CB 4.16Å; W430-L435 HydrophobicContact CZ2-CD1 3.79Å; W430-L435 HydrophobicContact CZ2-CD2 4.49Å; W430-L435 HydrophobicContact CZ2-CG 4.37Å; W430-L435 HydrophobicContact CZ3-CB 3.59Å
431	V	95.3	Very high	96.1	Very high	15 Å²	15	41 Å²	41	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124	169.4	-178.7	0	0	0	0	108.3	F429 K433 V434 Y436 Q479 W495	F429-V431 HydrophobicContact CD2-CG2 3.85Å; F429-V431 HydrophobicContact CE2-CG2 3.83Å; V431-K433 PolarHBondContact O-N 3.33Å; V431-K433 VanDerWaalsContact O-N 3.14Å; V431-V434 PolarHBondContact N-O 3.29Å; V431-V434 WeakPolarHBondContact O-CB 3.48Å; V431-V434 PolarHBondContact O-N 2.82Å; V431-Y436 HydrophobicContact CB-CD2 4.44Å; V431-Y436 HydrophobicContact CB-CE2 3.94Å; V431-Y436 HydrophobicContact CG2-CE2 4.4Å; V431-Q479 HydrophobicContact CG2-CB 4.33Å; V431-Q479 HydrophobicContact CG2-CG 3.91Å; V431-W495 HydrophobicContact CG2-CD2 4.27Å; V431-W495 HydrophobicContact CG2-CG 4.46Å; V431-W495 HydrophobicContact CG2-CZ2 4.46Å
432	R	91.3	Very high	96.3	Very high	178 Å²	178	42.5 Å²	42.5	67%	0.672	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	41.7	-179.2	-59.8	176.4	-177.7	-162.4	-4.2	112.8	V434 D497	R432-V434 PolarHBondContact O-N 3.3Å; R432-D497 IonicContact CZ-OD1 3.98Å; R432-D497 IonicContact CZ-OD2 3.99Å; R432-D497 IonicContact NE-OD1 3.36Å; R432-D497 PolarHBondContact NE-OD1 3.28Å; R432-D497 IonicContact NE-OD2 3.72Å; R432-D497 IonicContact NH2-OD1 2.78Å; R432-D497 IonicContact NH2-OD2 3.39Å; R432-D497 PolarHBondContact NH2-OD2 3.04Å
433	K	91.1	Very high	96.4	Very high	192 Å²	192	44.6 Å²	44.6	84%	0.835	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	10.2	-176.9	-51.4	179.5	179.2	-179.2	0	115.6	W430 V431	W430-K433 WeakPolarHBondContact CZ3-O 3.25Å; V431-K433 PolarHBondContact O-N 3.33Å; V431-K433 VanDerWaalsContact O-N 3.14Å
434	V	94.7	Very high	96.2	Very high	52 Å²	52	46.1 Å²	46.1	32%	0.315	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	170.9	-178.4	0	0	0	0	108.7	W430 V431 R432 Y436 R450	W430-V434 WeakPolarHBondContact CA-O 3.28Å; V431-V434 PolarHBondContact N-O 3.29Å; V431-V434 WeakPolarHBondContact O-CB 3.48Å; V431-V434 PolarHBondContact O-N 2.82Å; R432-V434 PolarHBondContact O-N 3.3Å; V434-Y436 HydrophobicContact CB-CE2 3.71Å; V434-Y436 HydrophobicContact CG1-CD2 4.33Å; V434-Y436 HydrophobicContact CG1-CE2 3.63Å; V434-Y436 VanDerWaalsContact O-CD2 3.26Å; V434-Y436 WeakPolarHBondContact O-CD2 3.41Å; V434-Y436 WeakPolarHBondContact O-CE2 3.37Å; V434-R450 HydrophobicContact CG1-CG 3.8Å
435	L	96.8	Very high	96.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.9	177.8	175.6	64.5	0	0	0	110.6	I382 V384 H428 W430 W451 F456	I382-L435 HydrophobicContact CD1-CD2 4.36Å; V384-L435 HydrophobicContact CG1-CD2 4.42Å; V384-L435 HydrophobicContact CG2-CD2 3.52Å; H428-L435 HydrophobicContact CB-CD1 3.98Å; W430-L435 HydrophobicContact CD2-CB 4.34Å; W430-L435 HydrophobicContact CD2-CD1 4.19Å; W430-L435 HydrophobicContact CE3-CB 3.9Å; W430-L435 HydrophobicContact CH2-CB 3.74Å; W430-L435 HydrophobicContact CH2-CD1 4.25Å; W430-L435 HydrophobicContact CH2-CD2 4.42Å; W430-L435 HydrophobicContact CH2-CG 4.36Å; W430-L435 HydrophobicContact CZ2-CB 4.16Å; W430-L435 HydrophobicContact CZ2-CD1 3.79Å; W430-L435 HydrophobicContact CZ2-CD2 4.49Å; W430-L435 HydrophobicContact CZ2-CG 4.37Å; W430-L435 HydrophobicContact CZ3-CB 3.59Å; L435-W451 HydrophobicContact CB-CB 3.79Å; L435-W451 HydrophobicContact CB-CG 4.4Å; L435-W451 HydrophobicContact CD2-CB 4.28Å; L435-W451 HydrophobicContact CD2-CG 4.42Å; L435-W451 HydrophobicContact CG-CB 4.24Å; L435-W451 WeakPolarHBondContact O-CB 3.4Å; L435-W451 PolarHBondContact O-N 3.39Å; L435-F456 HydrophobicContact CD2-CE1 4.12Å; L435-F456 HydrophobicContact CD2-CZ 3.82Å; L435-F456 HydrophobicContact CG-CE1 4.21Å; L435-F456 HydrophobicContact CG-CZ 4.37Å
436	Y	98.1	Very high	96.3	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155	171.9	-61.9	-97.4	0	0	0	110.6	H428 F429 V431 V434 I448 L449 R450 I459 W495	H428-Y436 WeakPolarHBondContact CA-O 3.19Å; F429-Y436 HydrophobicContact CD2-CD2 4.32Å; F429-Y436 HydrophobicContact CD2-CG 4.47Å; F429-Y436 HydrophobicContact CE1-CG 4.3Å; F429-Y436 AromaticContact CE2-CD2 3.86Å; F429-Y436 HydrophobicContact CE2-CD2 3.86Å; F429-Y436 AromaticContact CE2-CG 3.78Å; F429-Y436 HydrophobicContact CE2-CG 3.78Å; F429-Y436 HydrophobicContact CZ-CD1 4.22Å; F429-Y436 HydrophobicContact CZ-CD2 4.25Å; F429-Y436 AromaticContact CZ-CG 3.67Å; F429-Y436 HydrophobicContact CZ-CG 3.67Å; F429-Y436 PolarHBondContact N-O 2.87Å; F429-Y436 PolarHBondContact O-N 2.79Å; V431-Y436 HydrophobicContact CB-CD2 4.44Å; V431-Y436 HydrophobicContact CB-CE2 3.94Å; V431-Y436 HydrophobicContact CG2-CE2 4.4Å; V434-Y436 HydrophobicContact CB-CE2 3.71Å; V434-Y436 HydrophobicContact CG1-CD2 4.33Å; V434-Y436 HydrophobicContact CG1-CE2 3.63Å; V434-Y436 VanDerWaalsContact O-CD2 3.26Å; V434-Y436 WeakPolarHBondContact O-CD2 3.41Å; V434-Y436 WeakPolarHBondContact O-CE2 3.37Å; Y436-I448 HydrophobicContact CD1-CG2 4.43Å; Y436-L449 CarbonylContact C-O 3.29Å; Y436-L449 WeakPolarHBondContact CA-O 3.14Å; Y436-L449 WeakPolarHBondContact CB-O 3.14Å; Y436-R450 HydrophobicContact CD1-CB 3.76Å; Y436-R450 HydrophobicContact CD1-CG 4.03Å; Y436-R450 HydrophobicContact CE1-CB 3.61Å; Y436-R450 HydrophobicContact CE1-CG 3.53Å; Y436-I459 HydrophobicContact CD1-CD1 3.92Å; Y436-I459 HydrophobicContact CE1-CD1 3.72Å; Y436-W495 HydrophobicContact CD1-CH2 4.11Å; Y436-W495 AromaticContact CE1-CH2 3.62Å; Y436-W495 HydrophobicContact CE1-CH2 3.62Å; Y436-W495 HydrophobicContact CE1-CZ2 4.19Å; Y436-W495 HydrophobicContact CE2-CH2 4.41Å; Y436-W495 HydrophobicContact CE2-CZ2 4.42Å; Y436-W495 AromaticContact CZ-CH2 3.8Å; Y436-W495 AromaticContact CZ-CZ2 3.9Å
437	L	98.1	Very high	96.3	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	-122.2	139.9	171.8	-62.5	-179	0	0	0	110.1	I391 I417 V426 K427 H428 L439 I448 L449 F456	I391-L437 HydrophobicContact CD1-CD1 3.93Å; I391-L437 HydrophobicContact CD1-CD2 4.12Å; I417-L437 HydrophobicContact CD1-CD1 3.79Å; I417-L437 HydrophobicContact CG2-CD1 4.43Å; V426-L437 HydrophobicContact CG1-CB 4.4Å; V426-L437 HydrophobicContact CG1-CD1 4.3Å; V426-L437 HydrophobicContact CG1-CD2 4.06Å; V426-L437 HydrophobicContact CG1-CG 4.5Å; K427-L437 CarbonylContact O-C 3.59Å; K427-L437 WeakPolarHBondContact O-CA 3.46Å; H428-L437 HydrophobicContact CB-CD2 3.55Å; L437-L439 HydrophobicContact CB-CD1 3.77Å; L437-L439 HydrophobicContact CD1-CD1 4.47Å; L437-I448 CarbonylContact O-C 3.59Å; L437-I448 WeakPolarHBondContact O-CA 3.45Å; L437-L449 PolarHBondContact N-O 2.89Å; L437-L449 PolarHBondContact O-N 3.25Å; L437-F456 HydrophobicContact CB-CE1 4.47Å; L437-F456 HydrophobicContact CD1-CD1 3.9Å; L437-F456 HydrophobicContact CD1-CD2 3.91Å; L437-F456 HydrophobicContact CD1-CE1 3.57Å; L437-F456 HydrophobicContact CD1-CE2 3.56Å; L437-F456 HydrophobicContact CD1-CG 4.07Å; L437-F456 HydrophobicContact CD1-CZ 3.38Å; L437-F456 HydrophobicContact CD2-CE1 4.45Å; L437-F456 HydrophobicContact CD2-CZ 4.35Å; L437-F456 HydrophobicContact CG-CD1 4.03Å; L437-F456 HydrophobicContact CG-CE1 3.49Å; L437-F456 VanDerWaalsContact CG-CE1 3.49Å; L437-F456 HydrophobicContact CG-CE2 4.37Å; L437-F456 HydrophobicContact CG-CZ 3.68Å
438	C	98.1	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.6	164.3	-170.9	0	0	0	0	109.2	V426 K427 K447 I448 V470 L481	V426-C438 WeakPolarHBondContact CA-O 3.34Å; K427-C438 PolarHBondContact N-O 2.85Å; K427-C438 PolarHBondContact O-N 2.8Å; C438-K447 CarbonylContact C-O 3.14Å; C438-K447 WeakPolarHBondContact CA-O 3.42Å; C438-I448 HydrophobicContact CB-CD1 3.81Å; C438-I448 VanDerWaalsContact SG-CD1 3.53Å; C438-V470 HydrophobicContact CB-CG2 4.44Å; C438-L481 HydrophobicContact CB-CD1 4.27Å
439	L	98.1	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.1	176	-84.2	56.1	0	0	0	108.2	P399 I417 T418 V423 V426 L437 S446 K447 L449	P399-L439 HydrophobicContact CG-CD2 4.31Å; I417-L439 HydrophobicContact CG2-CD2 4.34Å; T418-L439 HydrophobicContact CG2-CD2 3.53Å; V423-L439 HydrophobicContact CG1-CB 4.04Å; V423-L439 HydrophobicContact CG1-CG 4.06Å; V423-L439 HydrophobicContact CG2-CB 4.32Å; V423-L439 HydrophobicContact CG2-CD2 4.2Å; V423-L439 HydrophobicContact CG2-CG 4.39Å; V426-L439 HydrophobicContact CG1-CD1 4.14Å; V426-L439 HydrophobicContact CG2-CD1 3.99Å; V426-L439 HydrophobicContact CG2-CG 3.94Å; L437-L439 HydrophobicContact CB-CD1 3.77Å; L437-L439 HydrophobicContact CD1-CD1 4.47Å; L439-S446 CarbonylContact O-C 3.54Å; L439-S446 WeakPolarHBondContact O-CA 3.42Å; L439-S446 VanDerWaalsContact O-CB 3.25Å; L439-S446 WeakPolarHBondContact O-CB 3.35Å; L439-K447 HydrophobicContact CB-CB 4.39Å; L439-K447 PolarHBondContact N-O 3.35Å; L439-K447 PolarHBondContact O-N 3Å; L439-L449 HydrophobicContact CB-CD1 4.39Å; L439-L449 HydrophobicContact CD1-CD1 3.41Å; L439-L449 VanDerWaalsContact CD1-CD1 3.41Å; L439-L449 HydrophobicContact CD2-CD1 3.65Å; L439-L449 HydrophobicContact CG-CD1 3.98Å
440	T	97.7	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.9	-177	-62.1	0	0	0	0	112.1	V423 Q424 M425 S446 S467 V470 L483	V423-T440 CarbonylContact C-O 3.27Å; V423-T440 WeakPolarHBondContact CA-O 3.2Å; Q424-T440 PolarHBondContact N-O 3.17Å; M425-T440 PolarHBondContact O-N 2.77Å; T440-S446 VanDerWaalsContact CA-OG 3.3Å; T440-S446 WeakPolarHBondContact CA-OG 3.21Å; T440-S467 WeakPolarHBondContact CG2-OG 3.34Å; T440-V470 HydrophobicContact CG2-CB 4.49Å; T440-V470 WeakPolarHBondContact OG1-CB 3.18Å; T440-V470 WeakPolarHBondContact OG1-CG1 3.3Å; T440-L483 HydrophobicContact CG2-CD1 4.02Å
441	R	96.7	Very high	96.1	Very high	59 Å²	59	46.4 Å²	46.4	22%	0.223	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.6	174.3	-66.3	-178.6	71.2	-158.8	4.7	110.6	A421 V423 D445 S446 S464 S467	A421-R441 PolarHBondContact O-NE 3.32Å; V423-R441 HydrophobicContact CG2-CG 4.46Å; R441-D445 WeakPolarHBondContact CD-O 3.37Å; R441-S446 PolarHBondContact N-OG 2.91Å; R441-S446 VanDerWaalsContact N-OG 3.15Å; R441-S464 WeakPolarHBondContact O-CB 3.35Å; R441-S464 PolarHBondContact O-OG 2.89Å; R441-S467 WeakPolarHBondContact O-CB 3.46Å
442	F	96.6	Very high	96	Very high	67 Å²	67	50.2 Å²	50.2	29%	0.294	23%	0.23	S	C	.	.	S	Bend	trans	-63.8	-50.8	177.2	-175.1	-111.4	0	0	0	111.7	Q424 G466 S467 M468 F487	Q424-F442 HydrophobicContact CG-CB 4.18Å; F442-G466 VanDerWaalsContact CE2-CA 3.42Å; F442-G466 CarbonylContact O-C 3.58Å; F442-G466 WeakPolarHBondContact O-CA 3.33Å; F442-G466 PolarHBondContact O-N 3.07Å; F442-S467 WeakPolarHBondContact CA-O 3.46Å; F442-S467 PolarHBondContact O-N 3.49Å; F442-M468 HydrophobicContact CD2-CG 3.92Å; F442-M468 HydrophobicContact CD2-SD 3.46Å; F442-M468 WeakPolarHBondContact CD2-SD 3.25Å; F442-M468 HydrophobicContact CE2-CG 4.02Å; F442-M468 HydrophobicContact CE2-SD 3.94Å; F442-M468 HydrophobicContact CG-SD 4.42Å; F442-F487 HydrophobicContact CE1-CE2 4.18Å; F442-F487 AromaticContact CE1-CZ 3.99Å; F442-F487 HydrophobicContact CE1-CZ 3.99Å; F442-F487 HydrophobicContact CZ-CE2 4.1Å; F442-F487 AromaticContact CZ-CZ 3.66Å; F442-F487 HydrophobicContact CZ-CZ 3.66Å
443	I	94.8	Very high	95.7	Very high	105 Å²	105	44.1 Å²	44.1	54%	0.538	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.6	177	-65.7	164.9	0	0	0	108.7	F487	I443-F487 HydrophobicContact CD1-CE2 4.32Å; I443-F487 HydrophobicContact CG1-CE2 4.3Å
444	G	94.2	Very high	95.3	Very high	31 Å²	31	43.7 Å²	43.7	32%	0.32	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	96.8	-139.9	-176.6	0	0	0	0	0	109.8	S464	G444-S464 WeakPolarHBondContact O-CA 3.3Å; G444-S464 WeakPolarHBondContact O-CB 3.04Å; G444-S464 PolarHBondContact O-N 3.35Å
445	D	95.4	Very high	95	Very high	77 Å²	77	49.4 Å²	49.4	41%	0.412	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.1	-177.1	-57.7	-41.5	0	0	0	111.2	R441	R441-D445 WeakPolarHBondContact CD-O 3.37Å
446	S	97.4	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	154.4	162	-69.2	0	0	0	0	108.9	L439 T440 R441 T461 L462 S464	L439-S446 CarbonylContact O-C 3.54Å; L439-S446 WeakPolarHBondContact O-CA 3.42Å; L439-S446 VanDerWaalsContact O-CB 3.25Å; L439-S446 WeakPolarHBondContact O-CB 3.35Å; T440-S446 VanDerWaalsContact CA-OG 3.3Å; T440-S446 WeakPolarHBondContact CA-OG 3.21Å; R441-S446 PolarHBondContact N-OG 2.91Å; R441-S446 VanDerWaalsContact N-OG 3.15Å; S446-T461 CarbonylContact O-C 3.59Å; S446-T461 WeakPolarHBondContact O-CA 3.47Å; S446-L462 PolarHBondContact N-O 3.12Å; S446-L462 PolarHBondContact O-N 3.49Å; S446-S464 WeakPolarHBondContact CB-OG 3.31Å; S446-S464 PolarHBondContact N-OG 2.76Å; S446-S464 PolarHBondContact OG-OG 2.85Å
447	K	97.9	Very high	94.7	Very high	39 Å²	39	52.7 Å²	52.7	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.3	-172.8	-59.5	-165.4	173	-162.6	0	112	L420 C438 L439 L449 E458	L420-K447 HydrophobicContact CD2-CD 3.66Å; L420-K447 HydrophobicContact CD2-CG 4.04Å; C438-K447 CarbonylContact C-O 3.14Å; C438-K447 WeakPolarHBondContact CA-O 3.42Å; L439-K447 HydrophobicContact CB-CB 4.39Å; L439-K447 PolarHBondContact N-O 3.35Å; L439-K447 PolarHBondContact O-N 3Å; K447-L449 HydrophobicContact CB-CD1 4.18Å; K447-E458 HydrophobicContact CD-CG 4.31Å; K447-E458 VanDerWaalsContact CD-OE2 3.27Å; K447-E458 WeakPolarHBondContact CD-OE2 3.41Å; K447-E458 WeakPolarHBondContact CE-OE2 3.46Å; K447-E458 IonicContact NZ-OE1 2.67Å; K447-E458 IonicContact NZ-OE2 3.79Å; K447-E458 PolarHBondContact NZ-OE2 2.84Å
448	I	98.3	Very high	94.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.9	167	-51.4	-62.3	0	0	0	107.9	F429 Y436 L437 C438 I459 Q460 L462 L481 F502	F429-I448 HydrophobicContact CE1-CG2 4.32Å; F429-I448 HydrophobicContact CZ-CG2 4.08Å; Y436-I448 HydrophobicContact CD1-CG2 4.43Å; L437-I448 CarbonylContact O-C 3.59Å; L437-I448 WeakPolarHBondContact O-CA 3.45Å; C438-I448 HydrophobicContact CB-CD1 3.81Å; C438-I448 VanDerWaalsContact SG-CD1 3.53Å; I448-I459 HydrophobicContact CB-CD1 4.48Å; I448-I459 HydrophobicContact CB-CG1 4.07Å; I448-I459 HydrophobicContact CG2-CD1 3.78Å; I448-I459 HydrophobicContact CG2-CG1 3.8Å; I448-I459 WeakPolarHBondContact O-CG1 3.34Å; I448-I459 PolarHBondContact O-N 3.34Å; I448-Q460 HydrophobicContact CB-CB 4.14Å; I448-Q460 HydrophobicContact CG1-CB 4.27Å; I448-Q460 PolarHBondContact N-O 3.35Å; I448-L462 HydrophobicContact CD1-CD1 3.93Å; I448-L462 HydrophobicContact CG1-CD1 4.06Å; I448-L462 HydrophobicContact CG1-CG 4.4Å; I448-L481 HydrophobicContact CD1-CD2 3.9Å; I448-F502 HydrophobicContact CD1-CD2 4.17Å; I448-F502 HydrophobicContact CD1-CE2 4.34Å; I448-F502 HydrophobicContact CG1-CD2 4.25Å
449	L	97.6	Very high	94.6	Very high	7 Å²	7	58 Å²	58	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.1	174.9	-58.1	97.7	0	0	0	110.9	I417 Y436 L437 L439 K447 F456 V457	I417-L449 HydrophobicContact CG2-CD2 4.34Å; Y436-L449 CarbonylContact C-O 3.29Å; Y436-L449 WeakPolarHBondContact CA-O 3.14Å; Y436-L449 WeakPolarHBondContact CB-O 3.14Å; L437-L449 PolarHBondContact N-O 2.89Å; L437-L449 PolarHBondContact O-N 3.25Å; L439-L449 HydrophobicContact CB-CD1 4.39Å; L439-L449 HydrophobicContact CD1-CD1 3.41Å; L439-L449 VanDerWaalsContact CD1-CD1 3.41Å; L439-L449 HydrophobicContact CD2-CD1 3.65Å; L439-L449 HydrophobicContact CG-CD1 3.98Å; K447-L449 HydrophobicContact CB-CD1 4.18Å; L449-F456 HydrophobicContact CB-CB 3.92Å; L449-F456 HydrophobicContact CB-CD1 4.11Å; L449-F456 HydrophobicContact CB-CG 4.39Å; L449-F456 HydrophobicContact CD2-CB 3.79Å; L449-F456 HydrophobicContact CG-CB 4.48Å; L449-V457 CarbonylContact C-O 3.51Å; L449-V457 WeakPolarHBondContact CA-O 3.22Å
450	R	96.9	Very high	94.6	Very high	71 Å²	71	59.5 Å²	59.5	27%	0.268	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.2	174.5	-177.8	175.3	68.7	-173.1	1.7	109.8	V434 Y436 E452 F456 V457 I459	V434-R450 HydrophobicContact CG1-CG 3.8Å; Y436-R450 HydrophobicContact CD1-CB 3.76Å; Y436-R450 HydrophobicContact CD1-CG 4.03Å; Y436-R450 HydrophobicContact CE1-CB 3.61Å; Y436-R450 HydrophobicContact CE1-CG 3.53Å; R450-E452 IonicContact CZ-OE1 3.41Å; R450-E452 IonicContact NE-OE1 3.01Å; R450-E452 PolarHBondContact NE-OE1 3.24Å; R450-E452 IonicContact NH2-OE1 3.62Å; R450-E452 PolarHBondContact NH2-OE1 2.65Å; R450-F456 CarbonylContact O-C 3.57Å; R450-F456 WeakPolarHBondContact O-CA 3.39Å; R450-V457 PolarHBondContact N-O 3.5Å; R450-V457 PolarHBondContact O-N 3.07Å; R450-I459 HydrophobicContact CB-CG2 3.79Å
451	W	93.8	Very high	94.6	Very high	78 Å²	78	62.8 Å²	62.8	30%	0.295	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.5	171.2	-177.5	-111.8	0	0	0	111.1	L435 G453 F456	L435-W451 HydrophobicContact CB-CB 3.79Å; L435-W451 HydrophobicContact CB-CG 4.4Å; L435-W451 HydrophobicContact CD2-CB 4.28Å; L435-W451 HydrophobicContact CD2-CG 4.42Å; L435-W451 HydrophobicContact CG-CB 4.24Å; L435-W451 WeakPolarHBondContact O-CB 3.4Å; L435-W451 PolarHBondContact O-N 3.39Å; W451-G453 VanDerWaalsContact CZ2-C 3.41Å; W451-G453 WeakPolarHBondContact CZ2-O 3.31Å; W451-G453 VanDerWaalsContact NE1-CA 3.34Å; W451-F456 HydrophobicContact CB-CD1 4.2Å; W451-F456 HydrophobicContact CB-CE1 3.77Å; W451-F456 HydrophobicContact CB-CZ 4.4Å; W451-F456 HydrophobicContact CD2-CE1 4.4Å; W451-F456 HydrophobicContact CD2-CZ 4.27Å; W451-F456 HydrophobicContact CE3-CD1 4.04Å; W451-F456 AromaticContact CE3-CD2 3.72Å; W451-F456 HydrophobicContact CE3-CD2 3.72Å; W451-F456 AromaticContact CE3-CE1 3.79Å; W451-F456 HydrophobicContact CE3-CE1 3.79Å; W451-F456 AromaticContact CE3-CE2 3.47Å; W451-F456 HydrophobicContact CE3-CE2 3.47Å; W451-F456 VanDerWaalsContact CE3-CE2 3.47Å; W451-F456 AromaticContact CE3-CG 4Å; W451-F456 HydrophobicContact CE3-CG 4Å; W451-F456 AromaticContact CE3-CZ 3.5Å; W451-F456 HydrophobicContact CE3-CZ 3.5Å; W451-F456 HydrophobicContact CG-CE1 4.46Å; W451-F456 AromaticContact CZ3-CD2 3.88Å; W451-F456 HydrophobicContact CZ3-CD2 3.88Å; W451-F456 AromaticContact CZ3-CE2 3.66Å; W451-F456 HydrophobicContact CZ3-CE2 3.66Å; W451-F456 HydrophobicContact CZ3-CZ 4.14Å
452	E	91.9	Very high	94.6	Very high	94 Å²	94	60.1 Å²	60.1	44%	0.439	30%	0.3	S	S	.	.			trans	-114.9	34.5	176.8	-62.6	-167.3	165.4	0	0	112.1	R450 Q454 R455 V457	R450-E452 IonicContact CZ-OE1 3.41Å; R450-E452 IonicContact NE-OE1 3.01Å; R450-E452 PolarHBondContact NE-OE1 3.24Å; R450-E452 IonicContact NH2-OE1 3.62Å; R450-E452 PolarHBondContact NH2-OE1 2.65Å; E452-Q454 VanDerWaalsContact C-N 3.28Å; E452-Q454 PolarHBondContact O-N 3.4Å; E452-Q454 VanDerWaalsContact O-N 3.13Å; E452-R455 PolarHBondContact N-O 3.35Å; E452-V457 HydrophobicContact CB-CG2 4.5Å; E452-V457 HydrophobicContact CG-CB 4.4Å; E452-V457 HydrophobicContact CG-CG2 4.02Å; E452-V457 WeakPolarHBondContact OE2-CG2 3.25Å
453	G	84.9	Confident	94.6	Very high	50 Å²	50	59.4 Å²	59.4	52%	0.515	30%	0.302	S	S	.	.	S	Bend	trans	87.4	-38	173.8	0	0	0	0	0	115.1	W451	W451-G453 VanDerWaalsContact CZ2-C 3.41Å; W451-G453 WeakPolarHBondContact CZ2-O 3.31Å; W451-G453 VanDerWaalsContact NE1-CA 3.34Å
454	Q	83.9	Confident	94.7	Very high	184 Å²	184	54.5 Å²	54.5	86%	0.86	28%	0.277	S	S	*	.	S	Bend	trans	-118.5	-27.7	177	-67.3	-173.8	-4.3	0	0	113.9	E452	E452-Q454 VanDerWaalsContact C-N 3.28Å; E452-Q454 PolarHBondContact O-N 3.4Å; E452-Q454 VanDerWaalsContact O-N 3.13Å
455	R	88.5	Confident	94.8	Very high	172 Å²	172	60.5 Å²	60.5	65%	0.649	29%	0.29	S	S	*	.	S	Bend	trans	-147.1	162.6	-176.3	66.9	178.5	-175.9	167.8	1.1	111.3	E452 V457	E452-R455 PolarHBondContact N-O 3.35Å; R455-V457 HydrophobicContact CG-CG2 4.26Å
456	F	93.2	Very high	94.8	Very high	33 Å²	33	56.9 Å²	56.9	15%	0.145	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.6	168.1	-75.3	-74.5	0	0	0	110.6	I417 L435 L437 L449 R450 W451	I417-F456 HydrophobicContact CG2-CB 4.29Å; I417-F456 HydrophobicContact CG2-CD2 4.22Å; I417-F456 HydrophobicContact CG2-CG 4.45Å; L435-F456 HydrophobicContact CD2-CE1 4.12Å; L435-F456 HydrophobicContact CD2-CZ 3.82Å; L435-F456 HydrophobicContact CG-CE1 4.21Å; L435-F456 HydrophobicContact CG-CZ 4.37Å; L437-F456 HydrophobicContact CB-CE1 4.47Å; L437-F456 HydrophobicContact CD1-CD1 3.9Å; L437-F456 HydrophobicContact CD1-CD2 3.91Å; L437-F456 HydrophobicContact CD1-CE1 3.57Å; L437-F456 HydrophobicContact CD1-CE2 3.56Å; L437-F456 HydrophobicContact CD1-CG 4.07Å; L437-F456 HydrophobicContact CD1-CZ 3.38Å; L437-F456 HydrophobicContact CD2-CE1 4.45Å; L437-F456 HydrophobicContact CD2-CZ 4.35Å; L437-F456 HydrophobicContact CG-CD1 4.03Å; L437-F456 HydrophobicContact CG-CE1 3.49Å; L437-F456 VanDerWaalsContact CG-CE1 3.49Å; L437-F456 HydrophobicContact CG-CE2 4.37Å; L437-F456 HydrophobicContact CG-CZ 3.68Å; L449-F456 HydrophobicContact CB-CB 3.92Å; L449-F456 HydrophobicContact CB-CD1 4.11Å; L449-F456 HydrophobicContact CB-CG 4.39Å; L449-F456 HydrophobicContact CD2-CB 3.79Å; L449-F456 HydrophobicContact CG-CB 4.48Å; R450-F456 CarbonylContact O-C 3.57Å; R450-F456 WeakPolarHBondContact O-CA 3.39Å; W451-F456 HydrophobicContact CB-CD1 4.2Å; W451-F456 HydrophobicContact CB-CE1 3.77Å; W451-F456 HydrophobicContact CB-CZ 4.4Å; W451-F456 HydrophobicContact CD2-CE1 4.4Å; W451-F456 HydrophobicContact CD2-CZ 4.27Å; W451-F456 HydrophobicContact CE3-CD1 4.04Å; W451-F456 AromaticContact CE3-CD2 3.72Å; W451-F456 HydrophobicContact CE3-CD2 3.72Å; W451-F456 AromaticContact CE3-CE1 3.79Å; W451-F456 HydrophobicContact CE3-CE1 3.79Å; W451-F456 AromaticContact CE3-CE2 3.47Å; W451-F456 HydrophobicContact CE3-CE2 3.47Å; W451-F456 VanDerWaalsContact CE3-CE2 3.47Å; W451-F456 AromaticContact CE3-CG 4Å; W451-F456 HydrophobicContact CE3-CG 4Å; W451-F456 AromaticContact CE3-CZ 3.5Å; W451-F456 HydrophobicContact CE3-CZ 3.5Å; W451-F456 HydrophobicContact CG-CE1 4.46Å; W451-F456 AromaticContact CZ3-CD2 3.88Å; W451-F456 HydrophobicContact CZ3-CD2 3.88Å; W451-F456 AromaticContact CZ3-CE2 3.66Å; W451-F456 HydrophobicContact CZ3-CE2 3.66Å; W451-F456 HydrophobicContact CZ3-CZ 4.14Å
457	V	95.3	Very high	94.8	Very high	40 Å²	40	56.9 Å²	56.9	24%	0.242	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.5	176.6	179.2	0	0	0	0	109	L449 R450 E452 R455 I459	L449-V457 CarbonylContact C-O 3.51Å; L449-V457 WeakPolarHBondContact CA-O 3.22Å; R450-V457 PolarHBondContact N-O 3.5Å; R450-V457 PolarHBondContact O-N 3.07Å; E452-V457 HydrophobicContact CB-CG2 4.5Å; E452-V457 HydrophobicContact CG-CB 4.4Å; E452-V457 HydrophobicContact CG-CG2 4.02Å; E452-V457 WeakPolarHBondContact OE2-CG2 3.25Å; R455-V457 HydrophobicContact CG-CG2 4.26Å; V457-I459 PolarHBondContact O-N 3.31Å
458	E	96.4	Very high	94.8	Very high	88 Å²	88	58 Å²	58	41%	0.411	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128	176.2	-177.4	-179.7	152.7	0	0	110.8	K447 T461	K447-E458 HydrophobicContact CD-CG 4.31Å; K447-E458 VanDerWaalsContact CD-OE2 3.27Å; K447-E458 WeakPolarHBondContact CD-OE2 3.41Å; K447-E458 WeakPolarHBondContact CE-OE2 3.46Å; K447-E458 IonicContact NZ-OE1 2.67Å; K447-E458 IonicContact NZ-OE2 3.79Å; K447-E458 PolarHBondContact NZ-OE2 2.84Å; E458-T461 WeakPolarHBondContact OE1-CG2 3.43Å
459	I	96.9	Very high	94.7	Very high	24 Å²	24	58 Å²	58	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-21.7	-179.5	57.9	155.2	0	0	0	113.3	Y436 I448 R450 V457 W495 Q500 R501	Y436-I459 HydrophobicContact CD1-CD1 3.92Å; Y436-I459 HydrophobicContact CE1-CD1 3.72Å; I448-I459 HydrophobicContact CB-CD1 4.48Å; I448-I459 HydrophobicContact CB-CG1 4.07Å; I448-I459 HydrophobicContact CG2-CD1 3.78Å; I448-I459 HydrophobicContact CG2-CG1 3.8Å; I448-I459 WeakPolarHBondContact O-CG1 3.34Å; I448-I459 PolarHBondContact O-N 3.34Å; R450-I459 HydrophobicContact CB-CG2 3.79Å; V457-I459 PolarHBondContact O-N 3.31Å; I459-W495 HydrophobicContact CD1-CH2 4.02Å; I459-W495 HydrophobicContact CD1-CZ3 4.43Å; I459-Q500 WeakPolarHBondContact CD1-O 3.45Å; I459-R501 PolarHBondContact O-NE 3.45Å; I459-R501 PolarHBondContact O-NH2 2.95Å
460	Q	97.8	Very high	94.7	Very high	30 Å²	30	57.8 Å²	57.8	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	146.4	-175	179.1	172.5	33.7	0	0	111.5	I448 L462 R501 F502	I448-Q460 HydrophobicContact CB-CB 4.14Å; I448-Q460 HydrophobicContact CG1-CB 4.27Å; I448-Q460 PolarHBondContact N-O 3.35Å; Q460-L462 HydrophobicContact CG-CD2 4.11Å; Q460-R501 HydrophobicContact CB-CG 4.48Å; Q460-F502 PolarHBondContact NE2-O 3.26Å
461	T	97.4	Very high	94.8	Very high	69 Å²	69	57.2 Å²	57.2	42%	0.423	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.7	169.1	54.6	0	0	0	0	110.7	S446 E458	S446-T461 CarbonylContact O-C 3.59Å; S446-T461 WeakPolarHBondContact O-CA 3.47Å; E458-T461 WeakPolarHBondContact OE1-CG2 3.43Å
462	L	97.3	Very high	95	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.7	178.6	-58.9	177.7	0	0	0	109.5	S446 I448 Q460 S464 L481 L483 Y493	S446-L462 PolarHBondContact N-O 3.12Å; S446-L462 PolarHBondContact O-N 3.49Å; I448-L462 HydrophobicContact CD1-CD1 3.93Å; I448-L462 HydrophobicContact CG1-CD1 4.06Å; I448-L462 HydrophobicContact CG1-CG 4.4Å; Q460-L462 HydrophobicContact CG-CD2 4.11Å; L462-S464 PolarHBondContact O-N 3.09Å; L462-S464 PolarHBondContact O-OG 3.01Å; L462-L481 HydrophobicContact CD1-CD2 3.42Å; L462-L481 VanDerWaalsContact CD1-CD2 3.42Å; L462-L483 HydrophobicContact CB-CD2 4.17Å; L462-Y493 HydrophobicContact CD2-CD1 4.19Å; L462-Y493 HydrophobicContact CD2-CE1 3.79Å
463	P	96.4	Very high	95.3	Very high	53 Å²	53	50 Å²	50	34%	0.344	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.5	-174.9	27.1	-34.4	0	0	0	111.2
464	S	97.2	Very high	95.8	Very high	2 Å²	2	51 Å²	51	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.7	-177.7	-54.4	0	0	0	0	111.4	R441 G444 S446 L462	R441-S464 WeakPolarHBondContact O-CB 3.35Å; R441-S464 PolarHBondContact O-OG 2.89Å; G444-S464 WeakPolarHBondContact O-CA 3.3Å; G444-S464 WeakPolarHBondContact O-CB 3.04Å; G444-S464 PolarHBondContact O-N 3.35Å; S446-S464 WeakPolarHBondContact CB-OG 3.31Å; S446-S464 PolarHBondContact N-OG 2.76Å; S446-S464 PolarHBondContact OG-OG 2.85Å; L462-S464 PolarHBondContact O-N 3.09Å; L462-S464 PolarHBondContact O-OG 3.01Å
465	R	95.8	Very high	96.4	Very high	157 Å²	157	42.6 Å²	42.6	59%	0.592	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	67.2	-175.1	-60.5	-63.3	-174.7	178.4	-1.1	110	S485 D486 F487	R465-S485 PolarHBondContact O-OG 2.91Å; R465-D486 PolarHBondContact O-N 2.73Å; R465-F487 VanDerWaalsContact C-CD2 3.43Å; R465-F487 HydrophobicContact CB-CB 4.3Å; R465-F487 WeakPolarHBondContact O-CB 3.47Å; R465-F487 WeakPolarHBondContact O-CD2 3.43Å; R465-F487 PolarHBondContact O-N 2.77Å
466	G	96.9	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	76.4	45.5	-171.3	0	0	0	0	0	111.7	F442 D486	F442-G466 VanDerWaalsContact CE2-CA 3.42Å; F442-G466 CarbonylContact O-C 3.58Å; F442-G466 WeakPolarHBondContact O-CA 3.33Å; F442-G466 PolarHBondContact O-N 3.07Å; G466-D486 WeakPolarHBondContact O-CB 3.38Å; G466-D486 PolarHBondContact O-N 2.93Å
467	S	97.4	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.			trans	-83.5	119.6	-175.6	-163	0	0	0	0	112	T440 R441 F442 L483 G484	T440-S467 WeakPolarHBondContact CG2-OG 3.34Å; R441-S467 WeakPolarHBondContact O-CB 3.46Å; F442-S467 WeakPolarHBondContact CA-O 3.46Å; F442-S467 PolarHBondContact O-N 3.49Å; S467-L483 WeakPolarHBondContact OG-CD1 3.45Å; S467-G484 VanDerWaalsContact CA-O 3.31Å; S467-G484 WeakPolarHBondContact CA-O 3.39Å; S467-G484 VanDerWaalsContact CB-O 3.22Å; S467-G484 WeakPolarHBondContact CB-O 3.31Å; S467-G484 PolarHBondContact OG-O 2.84Å
468	M	96.1	Very high	96.2	Very high	62 Å²	62	42.9 Å²	42.9	31%	0.305	24%	0.235	S	C	.	.			trans	-114.7	-10.2	179.1	-68	-64.3	-63.8	0	0	113.1	F442	F442-M468 HydrophobicContact CD2-CG 3.92Å; F442-M468 HydrophobicContact CD2-SD 3.46Å; F442-M468 WeakPolarHBondContact CD2-SD 3.25Å; F442-M468 HydrophobicContact CE2-CG 4.02Å; F442-M468 HydrophobicContact CE2-SD 3.94Å; F442-M468 HydrophobicContact CG-SD 4.42Å
469	A	96.4	Very high	96.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	22%	0.219	C	C	.	.			trans	-143.8	137.3	-174.6	0	0	0	0	0	110.3	G484 F516	A469-G484 PolarHBondContact O-N 3.09Å; A469-F516 HydrophobicContact CB-CD2 3.97Å; A469-F516 HydrophobicContact CB-CE2 3.58Å; A469-F516 HydrophobicContact CB-CZ 4.48Å
470	V	97.9	Very high	96.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.9	171.2	71.8	0	0	0	0	108.6	M425 K427 C438 T440 L481 I482 L483	M425-V470 HydrophobicContact CE-CB 4.17Å; M425-V470 HydrophobicContact CE-CG1 3.55Å; M425-V470 WeakPolarHBondContact CE-O 3.39Å; K427-V470 HydrophobicContact CB-CG1 4.22Å; K427-V470 HydrophobicContact CG-CG1 4.05Å; C438-V470 HydrophobicContact CB-CG2 4.44Å; T440-V470 HydrophobicContact CG2-CB 4.49Å; T440-V470 WeakPolarHBondContact OG1-CB 3.18Å; T440-V470 WeakPolarHBondContact OG1-CG1 3.3Å; V470-L481 HydrophobicContact CG2-CD1 3.55Å; V470-L481 HydrophobicContact CG2-CG 4.07Å; V470-I482 VanDerWaalsContact CA-O 3.28Å; V470-I482 WeakPolarHBondContact CA-O 3.3Å; V470-I482 WeakPolarHBondContact CG2-O 3.39Å; V470-L483 HydrophobicContact CB-CD1 4.06Å; V470-L483 HydrophobicContact CG2-CD1 3.94Å
471	Y	98.4	Very high	96.3	Very high	58 Å²	58	36.8 Å²	36.8	23%	0.227	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	111.2	176.5	-173.1	-116.3	0	0	0	109.6	F473 I482 F516 L518 L527	Y471-F473 HydrophobicContact CD1-CB 3.86Å; Y471-F473 AromaticContact CD1-CD1 3.81Å; Y471-F473 HydrophobicContact CD1-CD1 3.81Å; Y471-F473 HydrophobicContact CD1-CG 4.12Å; Y471-F473 HydrophobicContact CE1-CB 3.59Å; Y471-F473 HydrophobicContact CE1-CD1 4.35Å; Y471-F473 HydrophobicContact CE1-CG 4.19Å; Y471-F473 WeakPolarHBondContact O-CD1 3.08Å; Y471-I482 PolarHBondContact N-O 2.97Å; Y471-I482 WeakPolarHBondContact O-CG2 3.41Å; Y471-I482 PolarHBondContact O-N 3.28Å; Y471-F516 HydrophobicContact CD1-CB 3.87Å; Y471-F516 HydrophobicContact CG-CB 3.82Å; Y471-L518 HydrophobicContact CE1-CB 3.99Å; Y471-L518 PolarHBondContact OH-N 3.47Å; Y471-L527 HydrophobicContact CD1-CD1 4.13Å; Y471-L527 HydrophobicContact CE1-CD1 4.37Å
472	P	98.4	Very high	96.4	Very high	13 Å²	13	33.5 Å²	33.5	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.4	165.5	31.5	-31.1	0	0	0	109.2	K427 H428 F429 Y480 L481	K427-P472 HydrophobicContact CB-CG 4.04Å; H428-P472 WeakPolarHBondContact O-CG 3.44Å; F429-P472 HydrophobicContact CB-CB 3.58Å; F429-P472 HydrophobicContact CB-CG 3.81Å; F429-P472 HydrophobicContact CD1-CB 3.84Å; F429-P472 HydrophobicContact CD1-CG 4.12Å; F429-P472 HydrophobicContact CG-CB 3.83Å; F429-P472 HydrophobicContact CG-CG 4.32Å; P472-Y480 WeakPolarHBondContact CA-O 3.36Å; P472-L481 HydrophobicContact CB-CD1 3.81Å; P472-L481 HydrophobicContact CG-CD1 4.45Å
473	F	97.9	Very high	96.4	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	160.4	-178.6	64.2	-81.6	0	0	0	111.2	F223 Y471 V475 Q479 Y480 I482 L518 L527	F223-F473 AromaticContact CE1-CE2 3.66Å; F223-F473 HydrophobicContact CE1-CE2 3.66Å; F223-F473 AromaticContact CE1-CZ 3.84Å; F223-F473 HydrophobicContact CE1-CZ 3.84Å; F223-F473 HydrophobicContact CE2-CZ 4.37Å; F223-F473 AromaticContact CZ-CE2 3.47Å; F223-F473 HydrophobicContact CZ-CE2 3.47Å; F223-F473 VanDerWaalsContact CZ-CE2 3.47Å; F223-F473 AromaticContact CZ-CZ 3.52Å; F223-F473 HydrophobicContact CZ-CZ 3.52Å; Y471-F473 HydrophobicContact CD1-CB 3.86Å; Y471-F473 AromaticContact CD1-CD1 3.81Å; Y471-F473 HydrophobicContact CD1-CD1 3.81Å; Y471-F473 HydrophobicContact CD1-CG 4.12Å; Y471-F473 HydrophobicContact CE1-CB 3.59Å; Y471-F473 HydrophobicContact CE1-CD1 4.35Å; Y471-F473 HydrophobicContact CE1-CG 4.19Å; Y471-F473 WeakPolarHBondContact O-CD1 3.08Å; F473-V475 HydrophobicContact CD2-CG2 4.03Å; F473-V475 HydrophobicContact CE2-CG2 4.1Å; F473-Q479 PolarHBondContact O-NE2 2.79Å; F473-Q479 VanDerWaalsContact O-NE2 3.14Å; F473-Y480 HydrophobicContact CD2-CD2 4.43Å; F473-Y480 AromaticContact CE2-CD2 3.95Å; F473-Y480 HydrophobicContact CE2-CD2 3.95Å; F473-Y480 HydrophobicContact CE2-CG 4.02Å; F473-Y480 VanDerWaalsContact CZ-CB 3.41Å; F473-Y480 HydrophobicContact CZ-CD2 4.42Å; F473-Y480 HydrophobicContact CZ-CG 4.02Å; F473-Y480 PolarHBondContact N-O 3.48Å; F473-Y480 PolarHBondContact O-N 3.36Å; F473-I482 HydrophobicContact CD1-CG2 4.3Å; F473-I482 HydrophobicContact CE1-CB 4.04Å; F473-I482 HydrophobicContact CE1-CG2 3.87Å; F473-L518 HydrophobicContact CB-CD2 4.3Å; F473-L518 HydrophobicContact CD2-CD1 4.24Å; F473-L518 HydrophobicContact CD2-CD2 4.2Å; F473-L527 HydrophobicContact CD1-CD1 4.49Å; F473-L527 HydrophobicContact CE1-CD1 4.37Å; F473-L527 HydrophobicContact CE1-CD2 4.24Å; F473-L527 HydrophobicContact CZ-CD1 4.45Å; F473-L527 HydrophobicContact CZ-CD2 3.97Å
474	T	96.9	Very high	96.5	Very high	72 Å²	72	31.3 Å²	31.3	44%	0.442	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.8	-176.9	-42.8	0	0	0	0	109	G476 R478 Q479 L518	T474-G476 WeakPolarHBondContact CG2-O 3.27Å; T474-R478 WeakPolarHBondContact CA-O 3.17Å; T474-R478 WeakPolarHBondContact CG2-O 3.29Å; T474-Q479 PolarHBondContact OG1-OE1 3.06Å; T474-L518 VanDerWaalsContact O-CD2 3.3Å; T474-L518 WeakPolarHBondContact O-CD2 3.45Å
475	V	95.4	Very high	96.5	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.7	171	177.6	0	0	0	0	108.2	F473 R478 Y480 L518 D525 H541	F473-V475 HydrophobicContact CD2-CG2 4.03Å; F473-V475 HydrophobicContact CE2-CG2 4.1Å; V475-R478 PolarHBondContact N-O 2.71Å; V475-R478 PolarHBondContact O-N 2.9Å; V475-Y480 HydrophobicContact CB-CD2 4.47Å; V475-Y480 HydrophobicContact CB-CE2 4.16Å; V475-L518 HydrophobicContact CG2-CD1 4.2Å; V475-L518 HydrophobicContact CG2-CD2 4.15Å; V475-D525 HydrophobicContact CG1-CB 3.8Å; V475-D525 VanDerWaalsContact CG1-OD2 3.26Å; V475-D525 WeakPolarHBondContact CG1-OD2 3.32Å; V475-D525 HydrophobicContact CG2-CB 4.06Å; V475-H541 HydrophobicContact CG1-CB 4.32Å; V475-H541 WeakPolarHBondContact CG1-ND1 3.42Å
476	G	90.3	Very high	96.6	Very high	64 Å²	64	26.3 Å²	26.3	66%	0.66	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	-124.9	-169.6	0	0	0	0	0	111.4	T474 R478	T474-G476 WeakPolarHBondContact CG2-O 3.27Å; G476-R478 VanDerWaalsContact C-N 3.34Å
477	P	89.7	Confident	96.6	Very high	129 Å²	129	32.8 Å²	32.8	84%	0.838	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.1	178.2	35	-35.2	0	0	0	114
478	R	93.1	Very high	96.5	Very high	58 Å²	58	35.3 Å²	35.3	22%	0.219	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.2	-170.5	-64.9	-178.7	-178.7	179.1	-2.3	111	I219 T220 A221 T474 V475 G476 Y480 L494	I219-R478 PolarHBondContact O-NH2 2.8Å; T220-R478 PolarHBondContact O-NH1 2.97Å; A221-R478 VanDerWaalsContact N-NH1 3.17Å; T474-R478 WeakPolarHBondContact CA-O 3.17Å; T474-R478 WeakPolarHBondContact CG2-O 3.29Å; V475-R478 PolarHBondContact N-O 2.71Å; V475-R478 PolarHBondContact O-N 2.9Å; G476-R478 VanDerWaalsContact C-N 3.34Å; R478-Y480 HydrophobicContact CB-CD2 4.18Å; R478-Y480 HydrophobicContact CB-CE2 3.44Å; R478-Y480 VanDerWaalsContact CB-CE2 3.44Å; R478-Y480 WeakPolarHBondContact CD-OH 3.15Å; R478-L494 HydrophobicContact CB-CD1 3.98Å; R478-L494 HydrophobicContact CG-CD1 4.36Å
479	Q	97.4	Very high	96.5	Very high	15 Å²	15	37.2 Å²	37.2	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.8	172.1	178.3	65	37.3	0	0	109.9	F429 V431 F473 T474 W495 F502	F429-Q479 HydrophobicContact CD2-CG 4.26Å; V431-Q479 HydrophobicContact CG2-CB 4.33Å; V431-Q479 HydrophobicContact CG2-CG 3.91Å; F473-Q479 PolarHBondContact O-NE2 2.79Å; F473-Q479 VanDerWaalsContact O-NE2 3.14Å; T474-Q479 PolarHBondContact OG1-OE1 3.06Å; Q479-W495 HydrophobicContact CB-CB 3.68Å; Q479-W495 HydrophobicContact CB-CG 4.26Å; Q479-W495 HydrophobicContact CG-CB 3.99Å; Q479-W495 HydrophobicContact CG-CG 4.44Å; Q479-W495 VanDerWaalsContact O-CB 3.29Å; Q479-W495 WeakPolarHBondContact O-CB 3.4Å; Q479-W495 PolarHBondContact O-N 3.23Å; Q479-F502 HydrophobicContact CG-CE1 4.2Å; Q479-F502 HydrophobicContact CG-CZ 4.07Å
480	Y	98.4	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	164.1	177.2	-65	-83.2	0	0	0	111.4	F223 P472 F473 V475 R478 V492 Y493 L494 F505 H541	F223-Y480 HydrophobicContact CE2-CD1 4.07Å; F223-Y480 AromaticContact CE2-CE1 3.94Å; F223-Y480 HydrophobicContact CE2-CE1 3.94Å; F223-Y480 HydrophobicContact CE2-CG 4.46Å; F223-Y480 HydrophobicContact CZ-CD1 4.3Å; F223-Y480 HydrophobicContact CZ-CD2 4.23Å; F223-Y480 HydrophobicContact CZ-CE1 4.35Å; F223-Y480 HydrophobicContact CZ-CE2 4.29Å; F223-Y480 HydrophobicContact CZ-CG 4.23Å; P472-Y480 WeakPolarHBondContact CA-O 3.36Å; F473-Y480 HydrophobicContact CD2-CD2 4.43Å; F473-Y480 AromaticContact CE2-CD2 3.95Å; F473-Y480 HydrophobicContact CE2-CD2 3.95Å; F473-Y480 HydrophobicContact CE2-CG 4.02Å; F473-Y480 VanDerWaalsContact CZ-CB 3.41Å; F473-Y480 HydrophobicContact CZ-CD2 4.42Å; F473-Y480 HydrophobicContact CZ-CG 4.02Å; F473-Y480 PolarHBondContact N-O 3.48Å; F473-Y480 PolarHBondContact O-N 3.36Å; V475-Y480 HydrophobicContact CB-CD2 4.47Å; V475-Y480 HydrophobicContact CB-CE2 4.16Å; R478-Y480 HydrophobicContact CB-CD2 4.18Å; R478-Y480 HydrophobicContact CB-CE2 3.44Å; R478-Y480 VanDerWaalsContact CB-CE2 3.44Å; R478-Y480 WeakPolarHBondContact CD-OH 3.15Å; Y480-V492 HydrophobicContact CD1-CG1 3.87Å; Y480-Y493 CarbonylContact C-O 3.11Å; Y480-Y493 VanDerWaalsContact CA-O 3.24Å; Y480-Y493 WeakPolarHBondContact CA-O 3.4Å; Y480-L494 HydrophobicContact CD1-CB 4.27Å; Y480-L494 HydrophobicContact CD1-CD1 3.94Å; Y480-L494 HydrophobicContact CE1-CB 4.19Å; Y480-L494 HydrophobicContact CE1-CD1 3.56Å; Y480-L494 HydrophobicContact CE1-CG 4.38Å; Y480-L494 HydrophobicContact CE2-CD1 4.47Å; Y480-F505 HydrophobicContact CD1-CD1 4.35Å; Y480-F505 AromaticContact CE1-CD1 3.86Å; Y480-F505 HydrophobicContact CE1-CD1 3.86Å; Y480-F505 AromaticContact CE1-CE1 3.76Å; Y480-F505 HydrophobicContact CE1-CE1 3.76Å; Y480-F505 HydrophobicContact CE1-CE2 4.46Å; Y480-F505 HydrophobicContact CE1-CG 4.25Å; Y480-F505 HydrophobicContact CE1-CZ 4.06Å; Y480-H541 AromaticContact CE2-NE2 3.7Å; Y480-H541 AromaticContact CZ-NE2 3.66Å; Y480-H541 PolarHBondContact OH-NE2 2.8Å; Y480-H541 VanDerWaalsContact OH-NE2 3.11Å
481	L	98.6	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.1	168.5	-179.7	79.1	0	0	0	108	C438 I448 L462 V470 P472 V492 Y493 F502	C438-L481 HydrophobicContact CB-CD1 4.27Å; I448-L481 HydrophobicContact CD1-CD2 3.9Å; L462-L481 HydrophobicContact CD1-CD2 3.42Å; L462-L481 VanDerWaalsContact CD1-CD2 3.42Å; V470-L481 HydrophobicContact CG2-CD1 3.55Å; V470-L481 HydrophobicContact CG2-CG 4.07Å; P472-L481 HydrophobicContact CB-CD1 3.81Å; P472-L481 HydrophobicContact CG-CD1 4.45Å; L481-V492 CarbonylContact O-C 3.54Å; L481-V492 WeakPolarHBondContact O-CA 3.46Å; L481-Y493 PolarHBondContact N-O 3.06Å; L481-Y493 PolarHBondContact O-N 2.73Å; L481-F502 HydrophobicContact CB-CD1 3.89Å; L481-F502 HydrophobicContact CB-CD2 4.2Å; L481-F502 HydrophobicContact CB-CE1 3.58Å; L481-F502 HydrophobicContact CB-CE2 3.88Å; L481-F502 HydrophobicContact CB-CG 4.21Å; L481-F502 HydrophobicContact CB-CZ 3.58Å; L481-F502 HydrophobicContact CD2-CD2 3.86Å; L481-F502 HydrophobicContact CD2-CE2 3.96Å; L481-F502 HydrophobicContact CD2-CG 4.31Å; L481-F502 HydrophobicContact CG-CE2 4.37Å; L481-F502 HydrophobicContact CG-CZ 4.49Å
482	I	98.6	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127	169.2	-175.3	165.1	0	0	0	109.8	V470 Y471 F473 R491 V492 L508 M510 F516 L527	V470-I482 VanDerWaalsContact CA-O 3.28Å; V470-I482 WeakPolarHBondContact CA-O 3.3Å; V470-I482 WeakPolarHBondContact CG2-O 3.39Å; Y471-I482 PolarHBondContact N-O 2.97Å; Y471-I482 WeakPolarHBondContact O-CG2 3.41Å; Y471-I482 PolarHBondContact O-N 3.28Å; F473-I482 HydrophobicContact CD1-CG2 4.3Å; F473-I482 HydrophobicContact CE1-CB 4.04Å; F473-I482 HydrophobicContact CE1-CG2 3.87Å; I482-R491 WeakPolarHBondContact CA-O 3.4Å; I482-V492 HydrophobicContact CB-CG2 4.38Å; I482-V492 HydrophobicContact CD1-CG2 4.1Å; I482-V492 HydrophobicContact CG1-CG2 4.2Å; I482-L508 HydrophobicContact CD1-CD1 3.75Å; I482-M510 HydrophobicContact CD1-CE 3.78Å; I482-F516 HydrophobicContact CD1-CD1 3.94Å; I482-F516 HydrophobicContact CD1-CE1 3.46Å; I482-F516 VanDerWaalsContact CD1-CE1 3.46Å; I482-F516 HydrophobicContact CD1-CE2 4.42Å; I482-F516 HydrophobicContact CD1-CZ 3.72Å; I482-F516 HydrophobicContact CG1-CE1 4.08Å; I482-F516 HydrophobicContact CG1-CE2 4.15Å; I482-F516 HydrophobicContact CG1-CZ 3.84Å; I482-F516 HydrophobicContact CG2-CB 4.24Å; I482-F516 HydrophobicContact CG2-CD1 4.12Å; I482-F516 HydrophobicContact CG2-CD2 3.69Å; I482-F516 HydrophobicContact CG2-CE1 4.41Å; I482-F516 HydrophobicContact CG2-CE2 3.99Å; I482-F516 HydrophobicContact CG2-CG 3.76Å; I482-F516 HydrophobicContact CG2-CZ 4.34Å; I482-L527 HydrophobicContact CD1-CD2 3.82Å; I482-L527 HydrophobicContact CG2-CD2 4.44Å
483	L	98.3	Very high	96.5	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113	174.3	-171.8	68	0	0	0	108.8	T440 L462 S467 V470 S490 R491 Y493	T440-L483 HydrophobicContact CG2-CD1 4.02Å; L462-L483 HydrophobicContact CB-CD2 4.17Å; S467-L483 WeakPolarHBondContact OG-CD1 3.45Å; V470-L483 HydrophobicContact CB-CD1 4.06Å; V470-L483 HydrophobicContact CG2-CD1 3.94Å; L483-S490 WeakPolarHBondContact O-CA 3.22Å; L483-R491 PolarHBondContact N-O 3.21Å; L483-R491 PolarHBondContact O-N 3.42Å; L483-Y493 HydrophobicContact CB-CE2 4.1Å
484	G	97.9	Very high	96.5	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	22%	0.222	C	C	.	.			trans	-69.8	151.5	178	0	0	0	0	0	112.4	S467 A469 S490 P513	S467-G484 VanDerWaalsContact CA-O 3.31Å; S467-G484 WeakPolarHBondContact CA-O 3.39Å; S467-G484 VanDerWaalsContact CB-O 3.22Å; S467-G484 WeakPolarHBondContact CB-O 3.31Å; S467-G484 PolarHBondContact OG-O 2.84Å; A469-G484 PolarHBondContact O-N 3.09Å; G484-S490 WeakPolarHBondContact CA-OG 3.27Å; G484-P513 VanDerWaalsContact CA-CG 3.47Å
485	S	97.4	Very high	96.5	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	20%	0.204	C	C	.	.			trans	-142.5	130.5	178.3	-175.9	0	0	0	0	111.5	R465 S488 F489 S490 P513	R465-S485 PolarHBondContact O-OG 2.91Å; S485-S488 WeakPolarHBondContact CB-O 3.32Å; S485-S488 WeakPolarHBondContact CB-OG 3.37Å; S485-S488 PolarHBondContact OG-N 2.82Å; S485-S488 PolarHBondContact OG-O 2.79Å; S485-S488 PolarHBondContact OG-OG 3.34Å; S485-F489 WeakPolarHBondContact CB-O 3.41Å; S485-S490 PolarHBondContact N-OG 2.92Å; S485-S490 VanDerWaalsContact N-OG 3.07Å; S485-P513 WeakPolarHBondContact O-CD 3.11Å
486	D	97.6	Very high	96.3	Very high	48 Å²	48	39.3 Å²	39.3	26%	0.257	21%	0.213	S	C	.	.	S	Bend	trans	-86.7	-23.2	173.4	-77.5	24.7	0	0	0	112	R465 G466 A512 R514	R465-D486 PolarHBondContact O-N 2.73Å; G466-D486 WeakPolarHBondContact O-CB 3.38Å; G466-D486 PolarHBondContact O-N 2.93Å; D486-A512 VanDerWaalsContact OD1-CA 3.25Å; D486-A512 WeakPolarHBondContact OD1-CA 3.42Å; D486-R514 IonicContact OD1-CZ 3.21Å; D486-R514 IonicContact OD1-NH1 3.68Å; D486-R514 PolarHBondContact OD1-NH1 2.79Å; D486-R514 IonicContact OD1-NH2 3.57Å; D486-R514 IonicContact OD2-CZ 2.7Å; D486-R514 IonicContact OD2-NH1 2.74Å; D486-R514 PolarHBondContact OD2-NH1 3.24Å; D486-R514 IonicContact OD2-NH2 3.55Å; D486-R514 PolarHBondContact OD2-NH2 2.8Å
487	F	96.1	Very high	96.3	Very high	136 Å²	136	39.7 Å²	39.7	60%	0.596	20%	0.2	S	C	*	.	S	Bend	trans	-109	-6.8	-173.9	-51.6	-34.7	0	0	0	114.3	F442 I443 R465	F442-F487 HydrophobicContact CE1-CE2 4.18Å; F442-F487 AromaticContact CE1-CZ 3.99Å; F442-F487 HydrophobicContact CE1-CZ 3.99Å; F442-F487 HydrophobicContact CZ-CE2 4.1Å; F442-F487 AromaticContact CZ-CZ 3.66Å; F442-F487 HydrophobicContact CZ-CZ 3.66Å; I443-F487 HydrophobicContact CD1-CE2 4.32Å; I443-F487 HydrophobicContact CG1-CE2 4.3Å; R465-F487 VanDerWaalsContact C-CD2 3.43Å; R465-F487 HydrophobicContact CB-CB 4.3Å; R465-F487 WeakPolarHBondContact O-CB 3.47Å; R465-F487 WeakPolarHBondContact O-CD2 3.43Å; R465-F487 PolarHBondContact O-N 2.77Å
488	S	95	Very high	96.1	Very high	54 Å²	54	41.2 Å²	41.2	38%	0.378	20%	0.2	S	C	.	.	S	Bend	trans	-147.1	-173.5	178	72	0	0	0	0	110.9	S485	S485-S488 WeakPolarHBondContact CB-O 3.32Å; S485-S488 WeakPolarHBondContact CB-OG 3.37Å; S485-S488 PolarHBondContact OG-N 2.82Å; S485-S488 PolarHBondContact OG-O 2.79Å; S485-S488 PolarHBondContact OG-OG 3.34Å
489	F	96.5	Very high	96	Very high	102 Å²	102	41.9 Å²	41.9	45%	0.447	21%	0.211	S	C	.	.			trans	-59.7	144.6	164.8	-57.7	-63.1	0	0	0	111	S485 E507 N509	S485-F489 WeakPolarHBondContact CB-O 3.41Å; F489-E507 HydrophobicContact CB-CB 3.92Å; F489-E507 HydrophobicContact CB-CG 4.49Å; F489-E507 WeakPolarHBondContact CD2-OE2 3.42Å; F489-E507 HydrophobicContact CG-CB 4.38Å; F489-N509 HydrophobicContact CD1-CB 4.05Å; F489-N509 HydrophobicContact CE1-CB 4.11Å
490	S	97.8	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	142	168.6	-63.6	0	0	0	0	108.5	L483 G484 S485 E507 L508 M510	L483-S490 WeakPolarHBondContact O-CA 3.22Å; G484-S490 WeakPolarHBondContact CA-OG 3.27Å; S485-S490 PolarHBondContact N-OG 2.92Å; S485-S490 VanDerWaalsContact N-OG 3.07Å; S490-E507 CarbonylContact O-C 3.6Å; S490-E507 WeakPolarHBondContact O-CA 3.42Å; S490-L508 PolarHBondContact N-O 3.02Å; S490-L508 PolarHBondContact O-N 2.93Å; S490-M510 WeakPolarHBondContact OG-CG 3.23Å
491	R	97.7	Very high	95.8	Very high	89 Å²	89	50.6 Å²	50.6	34%	0.336	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	-171.3	-72.3	-175.4	174.6	164.6	-0.5	111.1	I482 L483 Y493 E507	I482-R491 WeakPolarHBondContact CA-O 3.4Å; L483-R491 PolarHBondContact N-O 3.21Å; L483-R491 PolarHBondContact O-N 3.42Å; R491-Y493 HydrophobicContact CB-CD2 4.24Å; R491-Y493 HydrophobicContact CB-CE2 3.53Å; R491-Y493 WeakPolarHBondContact CD-OH 3.46Å; R491-E507 HydrophobicContact CG-CG 4.28Å; R491-E507 IonicContact CZ-OE1 3.09Å; R491-E507 IonicContact NE-OE1 3.04Å; R491-E507 PolarHBondContact NE-OE1 2.71Å; R491-E507 IonicContact NH2-OE1 3.07Å; R491-E507 PolarHBondContact NH2-OE1 3.16Å
492	V	98.3	Very high	95.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.2	164.7	-176	0	0	0	0	107.6	F223 Y480 L481 I482 F505 Q506 L508	F223-V492 HydrophobicContact CD2-CG1 4.26Å; F223-V492 HydrophobicContact CD2-CG2 4.47Å; F223-V492 HydrophobicContact CE2-CG1 3.83Å; Y480-V492 HydrophobicContact CD1-CG1 3.87Å; L481-V492 CarbonylContact O-C 3.54Å; L481-V492 WeakPolarHBondContact O-CA 3.46Å; I482-V492 HydrophobicContact CB-CG2 4.38Å; I482-V492 HydrophobicContact CD1-CG2 4.1Å; I482-V492 HydrophobicContact CG1-CG2 4.2Å; V492-F505 HydrophobicContact CB-CD1 4.4Å; V492-F505 HydrophobicContact CG1-CD1 3.94Å; V492-F505 WeakPolarHBondContact O-CA 3.34Å; V492-F505 WeakPolarHBondContact O-CB 3.06Å; V492-F505 PolarHBondContact O-N 2.74Å; V492-Q506 HydrophobicContact CB-CB 4.32Å; V492-Q506 PolarHBondContact N-O 3.26Å; V492-Q506 PolarHBondContact O-N 3.18Å; V492-Q506 VanDerWaalsContact O-N 3.14Å; V492-L508 HydrophobicContact CG2-CD1 3.6Å; V492-L508 HydrophobicContact CG2-CG 3.86Å
493	Y	98.1	Very high	95.6	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.1	173.6	-60.9	-99.6	0	0	0	109.8	L462 Y480 L481 L483 R491 F502 Q503 P504	L462-Y493 HydrophobicContact CD2-CD1 4.19Å; L462-Y493 HydrophobicContact CD2-CE1 3.79Å; Y480-Y493 CarbonylContact C-O 3.11Å; Y480-Y493 VanDerWaalsContact CA-O 3.24Å; Y480-Y493 WeakPolarHBondContact CA-O 3.4Å; L481-Y493 PolarHBondContact N-O 3.06Å; L481-Y493 PolarHBondContact O-N 2.73Å; L483-Y493 HydrophobicContact CB-CE2 4.1Å; R491-Y493 HydrophobicContact CB-CD2 4.24Å; R491-Y493 HydrophobicContact CB-CE2 3.53Å; R491-Y493 WeakPolarHBondContact CD-OH 3.46Å; Y493-F502 HydrophobicContact CD1-CB 4.29Å; Y493-F502 HydrophobicContact CG-CB 4.26Å; Y493-Q503 CarbonylContact C-O 3.58Å; Y493-Q503 WeakPolarHBondContact CA-O 3.46Å; Y493-Q503 WeakPolarHBondContact CB-O 3.43Å; Y493-P504 HydrophobicContact CD1-CG 4.38Å; Y493-P504 HydrophobicContact CE1-CB 4.48Å; Y493-P504 HydrophobicContact CE1-CG 4.13Å
494	L	96.8	Very high	95.5	Very high	46 Å²	46	59.1 Å²	59.1	24%	0.241	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.5	174.5	175.7	65.2	0	0	0	109	R478 Y480 D496 Q503 F505	R478-L494 HydrophobicContact CB-CD1 3.98Å; R478-L494 HydrophobicContact CG-CD1 4.36Å; Y480-L494 HydrophobicContact CD1-CB 4.27Å; Y480-L494 HydrophobicContact CD1-CD1 3.94Å; Y480-L494 HydrophobicContact CE1-CB 4.19Å; Y480-L494 HydrophobicContact CE1-CD1 3.56Å; Y480-L494 HydrophobicContact CE1-CG 4.38Å; Y480-L494 HydrophobicContact CE2-CD1 4.47Å; L494-D496 PolarHBondContact O-N 3.3Å; L494-Q503 PolarHBondContact N-O 2.9Å; L494-Q503 PolarHBondContact O-N 3.02Å; L494-F505 HydrophobicContact CB-CB 3.85Å; L494-F505 HydrophobicContact CB-CD2 3.88Å; L494-F505 HydrophobicContact CB-CG 4Å; L494-F505 HydrophobicContact CD2-CD2 3.95Å; L494-F505 HydrophobicContact CD2-CE2 4.17Å
495	W	96.8	Very high	95.3	Very high	18 Å²	18	61.5 Å²	61.5	7%	0.068	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.9	176	-175.3	-98.2	0	0	0	110.9	F429 V431 Y436 I459 Q479 D497 Q500 F502	F429-W495 HydrophobicContact CE2-CE3 4.27Å; F429-W495 HydrophobicContact CE2-CZ3 4.1Å; F429-W495 HydrophobicContact CZ-CZ3 4.11Å; V431-W495 HydrophobicContact CG2-CD2 4.27Å; V431-W495 HydrophobicContact CG2-CG 4.46Å; V431-W495 HydrophobicContact CG2-CZ2 4.46Å; Y436-W495 HydrophobicContact CD1-CH2 4.11Å; Y436-W495 AromaticContact CE1-CH2 3.62Å; Y436-W495 HydrophobicContact CE1-CH2 3.62Å; Y436-W495 HydrophobicContact CE1-CZ2 4.19Å; Y436-W495 HydrophobicContact CE2-CH2 4.41Å; Y436-W495 HydrophobicContact CE2-CZ2 4.42Å; Y436-W495 AromaticContact CZ-CH2 3.8Å; Y436-W495 AromaticContact CZ-CZ2 3.9Å; I459-W495 HydrophobicContact CD1-CH2 4.02Å; I459-W495 HydrophobicContact CD1-CZ3 4.43Å; Q479-W495 HydrophobicContact CB-CB 3.68Å; Q479-W495 HydrophobicContact CB-CG 4.26Å; Q479-W495 HydrophobicContact CG-CB 3.99Å; Q479-W495 HydrophobicContact CG-CG 4.44Å; Q479-W495 VanDerWaalsContact O-CB 3.29Å; Q479-W495 WeakPolarHBondContact O-CB 3.4Å; Q479-W495 PolarHBondContact O-N 3.23Å; W495-D497 PolarHBondContact NE1-OD1 2.86Å; W495-Q500 HydrophobicContact CH2-CB 4.26Å; W495-Q500 WeakPolarHBondContact CH2-O 3.49Å; W495-Q500 VanDerWaalsContact CZ2-C 3.4Å; W495-Q500 VanDerWaalsContact CZ2-CA 3.45Å; W495-Q500 HydrophobicContact CZ2-CB 3.78Å; W495-Q500 HydrophobicContact CZ2-CG 4.47Å; W495-F502 HydrophobicContact CB-CD1 4.12Å; W495-F502 HydrophobicContact CB-CE1 3.79Å; W495-F502 HydrophobicContact CB-CZ 4.47Å; W495-F502 HydrophobicContact CE3-CD1 4.08Å; W495-F502 AromaticContact CE3-CD2 3.77Å; W495-F502 HydrophobicContact CE3-CD2 3.77Å; W495-F502 AromaticContact CE3-CE1 3.95Å; W495-F502 HydrophobicContact CE3-CE1 3.95Å; W495-F502 AromaticContact CE3-CE2 3.65Å; W495-F502 HydrophobicContact CE3-CE2 3.65Å; W495-F502 AromaticContact CE3-CG 3.98Å; W495-F502 HydrophobicContact CE3-CG 3.98Å; W495-F502 AromaticContact CE3-CZ 3.72Å; W495-F502 HydrophobicContact CE3-CZ 3.72Å; W495-F502 AromaticContact CZ3-CD2 3.99Å; W495-F502 HydrophobicContact CZ3-CD2 3.99Å; W495-F502 AromaticContact CZ3-CE2 3.93Å; W495-F502 HydrophobicContact CZ3-CE2 3.93Å; W495-F502 HydrophobicContact CZ3-CZ 4.41Å
496	D	93.1	Very high	95.2	Very high	45 Å²	45	63 Å²	63	24%	0.241	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.6	169.6	172.8	20.2	0	0	0	110	L494 L498 T499 Q500 R501 Q503	L494-D496 PolarHBondContact O-N 3.3Å; D496-L498 VanDerWaalsContact C-N 3.27Å; D496-L498 PolarHBondContact O-N 3.34Å; D496-L498 WeakPolarHBondContact OD1-CB 3.35Å; D496-L498 PolarHBondContact OD1-N 3.17Å; D496-T499 WeakPolarHBondContact CB-OG1 3.47Å; D496-T499 VanDerWaalsContact CG-OG1 3.3Å; D496-T499 VanDerWaalsContact OD2-CB 3.32Å; D496-T499 WeakPolarHBondContact OD2-CB 3.1Å; D496-T499 WeakPolarHBondContact OD2-CG2 3.44Å; D496-T499 PolarHBondContact OD2-N 3.4Å; D496-T499 PolarHBondContact OD2-OG1 2.67Å; D496-Q500 WeakPolarHBondContact O-CA 3.27Å; D496-Q500 PolarHBondContact O-N 3.04Å; D496-R501 PolarHBondContact N-O 3.02Å; D496-R501 PolarHBondContact O-N 2.78Å; D496-Q503 HydrophobicContact CB-CG 3.99Å
497	D	88.8	Confident	95.2	Very high	71 Å²	71	65.6 Å²	65.6	38%	0.38	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.7	179.8	-89.6	-24	0	0	0	113.8	R432 W495	R432-D497 IonicContact CZ-OD1 3.98Å; R432-D497 IonicContact CZ-OD2 3.99Å; R432-D497 IonicContact NE-OD1 3.36Å; R432-D497 PolarHBondContact NE-OD1 3.28Å; R432-D497 IonicContact NE-OD2 3.72Å; R432-D497 IonicContact NH2-OD1 2.78Å; R432-D497 IonicContact NH2-OD2 3.39Å; R432-D497 PolarHBondContact NH2-OD2 3.04Å; W495-D497 PolarHBondContact NE1-OD1 2.86Å
498	L	86.9	Confident	95.2	Very high	162 Å²	162	59.3 Å²	59.3	85%	0.848	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-49.8	179.8	-66.7	173.3	0	0	0	110.7	D496	D496-L498 VanDerWaalsContact C-N 3.27Å; D496-L498 PolarHBondContact O-N 3.34Å; D496-L498 WeakPolarHBondContact OD1-CB 3.35Å; D496-L498 PolarHBondContact OD1-N 3.17Å
499	T	90.6	Very high	95.2	Very high	71 Å²	71	62.3 Å²	62.3	44%	0.436	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.6	-179.8	60.9	0	0	0	0	113.5	D496 R501	D496-T499 WeakPolarHBondContact CB-OG1 3.47Å; D496-T499 VanDerWaalsContact CG-OG1 3.3Å; D496-T499 VanDerWaalsContact OD2-CB 3.32Å; D496-T499 WeakPolarHBondContact OD2-CB 3.1Å; D496-T499 WeakPolarHBondContact OD2-CG2 3.44Å; D496-T499 PolarHBondContact OD2-N 3.4Å; D496-T499 PolarHBondContact OD2-OG1 2.67Å; T499-R501 VanDerWaalsContact C-N 3.25Å; T499-R501 PolarHBondContact O-N 3.47Å
500	Q	94.6	Very high	95.1	Very high	74 Å²	74	58 Å²	58	35%	0.346	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	43.2	-171.1	-59.4	-170.6	-16.8	0	0	112.2	I459 W495 D496	I459-Q500 WeakPolarHBondContact CD1-O 3.45Å; W495-Q500 HydrophobicContact CH2-CB 4.26Å; W495-Q500 WeakPolarHBondContact CH2-O 3.49Å; W495-Q500 VanDerWaalsContact CZ2-C 3.4Å; W495-Q500 VanDerWaalsContact CZ2-CA 3.45Å; W495-Q500 HydrophobicContact CZ2-CB 3.78Å; W495-Q500 HydrophobicContact CZ2-CG 4.47Å; D496-Q500 WeakPolarHBondContact O-CA 3.27Å; D496-Q500 PolarHBondContact O-N 3.04Å
501	R	96.7	Very high	95	Very high	125 Å²	125	66.6 Å²	66.6	47%	0.472	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.4	-177.1	-70.9	179.5	177	-167.5	-2.4	111	I459 Q460 D496 T499	I459-R501 PolarHBondContact O-NE 3.45Å; I459-R501 PolarHBondContact O-NH2 2.95Å; Q460-R501 HydrophobicContact CB-CG 4.48Å; D496-R501 PolarHBondContact N-O 3.02Å; D496-R501 PolarHBondContact O-N 2.78Å; T499-R501 VanDerWaalsContact C-N 3.25Å; T499-R501 PolarHBondContact O-N 3.47Å
502	F	97.8	Very high	95	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.5	172.7	-82.9	-63.9	0	0	0	111.5	F429 I448 Q460 Q479 L481 Y493 W495	F429-F502 HydrophobicContact CE1-CE2 4.01Å; F429-F502 AromaticContact CE2-CE2 3.89Å; F429-F502 HydrophobicContact CE2-CE2 3.89Å; F429-F502 AromaticContact CE2-CZ 3.92Å; F429-F502 HydrophobicContact CE2-CZ 3.92Å; F429-F502 AromaticContact CZ-CE2 3.44Å; F429-F502 HydrophobicContact CZ-CE2 3.44Å; F429-F502 VanDerWaalsContact CZ-CE2 3.44Å; F429-F502 AromaticContact CZ-CZ 3.94Å; F429-F502 HydrophobicContact CZ-CZ 3.94Å; I448-F502 HydrophobicContact CD1-CD2 4.17Å; I448-F502 HydrophobicContact CD1-CE2 4.34Å; I448-F502 HydrophobicContact CG1-CD2 4.25Å; Q460-F502 PolarHBondContact NE2-O 3.26Å; Q479-F502 HydrophobicContact CG-CE1 4.2Å; Q479-F502 HydrophobicContact CG-CZ 4.07Å; L481-F502 HydrophobicContact CB-CD1 3.89Å; L481-F502 HydrophobicContact CB-CD2 4.2Å; L481-F502 HydrophobicContact CB-CE1 3.58Å; L481-F502 HydrophobicContact CB-CE2 3.88Å; L481-F502 HydrophobicContact CB-CG 4.21Å; L481-F502 HydrophobicContact CB-CZ 3.58Å; L481-F502 HydrophobicContact CD2-CD2 3.86Å; L481-F502 HydrophobicContact CD2-CE2 3.96Å; L481-F502 HydrophobicContact CD2-CG 4.31Å; L481-F502 HydrophobicContact CG-CE2 4.37Å; L481-F502 HydrophobicContact CG-CZ 4.49Å; Y493-F502 HydrophobicContact CD1-CB 4.29Å; Y493-F502 HydrophobicContact CG-CB 4.26Å; W495-F502 HydrophobicContact CB-CD1 4.12Å; W495-F502 HydrophobicContact CB-CE1 3.79Å; W495-F502 HydrophobicContact CB-CZ 4.47Å; W495-F502 HydrophobicContact CE3-CD1 4.08Å; W495-F502 AromaticContact CE3-CD2 3.77Å; W495-F502 HydrophobicContact CE3-CD2 3.77Å; W495-F502 AromaticContact CE3-CE1 3.95Å; W495-F502 HydrophobicContact CE3-CE1 3.95Å; W495-F502 AromaticContact CE3-CE2 3.65Å; W495-F502 HydrophobicContact CE3-CE2 3.65Å; W495-F502 AromaticContact CE3-CG 3.98Å; W495-F502 HydrophobicContact CE3-CG 3.98Å; W495-F502 AromaticContact CE3-CZ 3.72Å; W495-F502 HydrophobicContact CE3-CZ 3.72Å; W495-F502 AromaticContact CZ3-CD2 3.99Å; W495-F502 HydrophobicContact CZ3-CD2 3.99Å; W495-F502 AromaticContact CZ3-CE2 3.93Å; W495-F502 HydrophobicContact CZ3-CE2 3.93Å; W495-F502 HydrophobicContact CZ3-CZ 4.41Å
503	Q	95.3	Very high	95	Very high	86 Å²	86	62.9 Å²	62.9	40%	0.402	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.3	173.4	-59.2	-58.1	-29.5	0	0	110.3	Y493 L494 D496 F505	Y493-Q503 CarbonylContact C-O 3.58Å; Y493-Q503 WeakPolarHBondContact CA-O 3.46Å; Y493-Q503 WeakPolarHBondContact CB-O 3.43Å; L494-Q503 PolarHBondContact N-O 2.9Å; L494-Q503 PolarHBondContact O-N 3.02Å; D496-Q503 HydrophobicContact CB-CG 3.99Å; Q503-F505 PolarHBondContact O-N 3.47Å
504	P	95.1	Very high	94.9	Very high	98 Å²	98	65.2 Å²	65.2	64%	0.636	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	131.2	173.3	-22.7	32.9	0	0	0	110.6	Y493	Y493-P504 HydrophobicContact CD1-CG 4.38Å; Y493-P504 HydrophobicContact CE1-CB 4.48Å; Y493-P504 HydrophobicContact CE1-CG 4.13Å
505	F	94.3	Very high	94.9	Very high	52 Å²	52	63.7 Å²	63.7	23%	0.228	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-54.7	-174.7	177.6	-105.2	0	0	0	112.4	A221 F223 Y480 V492 L494 Q503	A221-F505 HydrophobicContact CB-CZ 3.98Å; A221-F505 WeakPolarHBondContact O-CZ 3.41Å; F223-F505 HydrophobicContact CD2-CE1 4.08Å; F223-F505 HydrophobicContact CE2-CD1 4.34Å; F223-F505 AromaticContact CE2-CE1 3.95Å; F223-F505 HydrophobicContact CE2-CE1 3.95Å; Y480-F505 HydrophobicContact CD1-CD1 4.35Å; Y480-F505 AromaticContact CE1-CD1 3.86Å; Y480-F505 HydrophobicContact CE1-CD1 3.86Å; Y480-F505 AromaticContact CE1-CE1 3.76Å; Y480-F505 HydrophobicContact CE1-CE1 3.76Å; Y480-F505 HydrophobicContact CE1-CE2 4.46Å; Y480-F505 HydrophobicContact CE1-CG 4.25Å; Y480-F505 HydrophobicContact CE1-CZ 4.06Å; V492-F505 HydrophobicContact CB-CD1 4.4Å; V492-F505 HydrophobicContact CG1-CD1 3.94Å; V492-F505 WeakPolarHBondContact O-CA 3.34Å; V492-F505 WeakPolarHBondContact O-CB 3.06Å; V492-F505 PolarHBondContact O-N 2.74Å; L494-F505 HydrophobicContact CB-CB 3.85Å; L494-F505 HydrophobicContact CB-CD2 3.88Å; L494-F505 HydrophobicContact CB-CG 4Å; L494-F505 HydrophobicContact CD2-CD2 3.95Å; L494-F505 HydrophobicContact CD2-CE2 4.17Å; Q503-F505 PolarHBondContact O-N 3.47Å
506	Q	95.3	Very high	95	Very high	39 Å²	39	63.5 Å²	63.5	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.2	-178.6	-164.6	-169.8	-0.9	0	0	110.3	D222 F223 V492 L508	D222-Q506 PolarHBondContact OD1-NE2 3.26Å; F223-Q506 VanDerWaalsContact CB-OE1 3.24Å; F223-Q506 VanDerWaalsContact CD2-OE1 3.3Å; F223-Q506 PolarHBondContact O-NE2 3.49Å; V492-Q506 HydrophobicContact CB-CB 4.32Å; V492-Q506 PolarHBondContact N-O 3.26Å; V492-Q506 PolarHBondContact O-N 3.18Å; V492-Q506 VanDerWaalsContact O-N 3.14Å; Q506-L508 HydrophobicContact CG-CD2 4.26Å
507	E	97.1	Very high	95.2	Very high	101 Å²	101	61.7 Å²	61.7	47%	0.472	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.3	170.8	-61.1	-161.7	139.9	0	0	109.8	F489 S490 R491	F489-E507 HydrophobicContact CB-CB 3.92Å; F489-E507 HydrophobicContact CB-CG 4.49Å; F489-E507 WeakPolarHBondContact CD2-OE2 3.42Å; F489-E507 HydrophobicContact CG-CB 4.38Å; S490-E507 CarbonylContact O-C 3.6Å; S490-E507 WeakPolarHBondContact O-CA 3.42Å; R491-E507 HydrophobicContact CG-CG 4.28Å; R491-E507 IonicContact CZ-OE1 3.09Å; R491-E507 IonicContact NE-OE1 3.04Å; R491-E507 PolarHBondContact NE-OE1 2.71Å; R491-E507 IonicContact NH2-OE1 3.07Å; R491-E507 PolarHBondContact NH2-OE1 3.16Å
508	L	96.9	Very high	95.7	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.3	178.8	-59.4	-175.8	0	0	0	110	F223 I482 S490 V492 Q506 M510 Y539	F223-L508 HydrophobicContact CB-CD2 4.16Å; I482-L508 HydrophobicContact CD1-CD1 3.75Å; S490-L508 PolarHBondContact N-O 3.02Å; S490-L508 PolarHBondContact O-N 2.93Å; V492-L508 HydrophobicContact CG2-CD1 3.6Å; V492-L508 HydrophobicContact CG2-CG 3.86Å; Q506-L508 HydrophobicContact CG-CD2 4.26Å; L508-M510 HydrophobicContact CB-CE 3.45Å; L508-M510 VanDerWaalsContact CB-CE 3.45Å; L508-M510 HydrophobicContact CD1-CE 3.74Å; L508-M510 HydrophobicContact CG-CE 4.25Å; L508-M510 PolarHBondContact O-N 2.88Å; L508-Y539 HydrophobicContact CB-CE1 4.46Å; L508-Y539 HydrophobicContact CD1-CD1 4.36Å; L508-Y539 HydrophobicContact CD1-CD2 4.37Å; L508-Y539 HydrophobicContact CD1-CE1 4.27Å; L508-Y539 HydrophobicContact CD1-CE2 4.28Å; L508-Y539 HydrophobicContact CD1-CG 4.41Å; L508-Y539 HydrophobicContact CD2-CD1 4.14Å; L508-Y539 HydrophobicContact CD2-CE1 3.94Å; L508-Y539 HydrophobicContact CG-CE1 4.45Å
509	N	94.9	Very high	96.2	Very high	117 Å²	117	52.1 Å²	52.1	63%	0.626	25%	0.252	S	S	*	.			trans	-87.4	100.4	176.9	-171.6	6.5	0	0	0	110.3	F489 Y539	F489-N509 HydrophobicContact CD1-CB 4.05Å; F489-N509 HydrophobicContact CE1-CB 4.11Å; N509-Y539 PolarHBondContact O-OH 3.01Å
510	M	94.1	Very high	96.5	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.059	25%	0.252	C	S	.	.			trans	-138.5	145.1	176.4	62.3	-175	81.5	0	0	109.4	I482 S490 L508 P513 F516 A529 L537 Y539	I482-M510 HydrophobicContact CD1-CE 3.78Å; S490-M510 WeakPolarHBondContact OG-CG 3.23Å; L508-M510 HydrophobicContact CB-CE 3.45Å; L508-M510 VanDerWaalsContact CB-CE 3.45Å; L508-M510 HydrophobicContact CD1-CE 3.74Å; L508-M510 HydrophobicContact CG-CE 4.25Å; L508-M510 PolarHBondContact O-N 2.88Å; M510-P513 HydrophobicContact CG-CB 4.15Å; M510-P513 HydrophobicContact CG-CG 4.11Å; M510-P513 HydrophobicContact SD-CB 3.57Å; M510-P513 VanDerWaalsContact SD-CB 3.57Å; M510-P513 HydrophobicContact SD-CG 3.94Å; M510-F516 HydrophobicContact CE-CE1 4Å; M510-F516 HydrophobicContact CE-CZ 4.44Å; M510-F516 HydrophobicContact SD-CE1 3.57Å; M510-F516 VanDerWaalsContact SD-CE1 3.57Å; M510-F516 HydrophobicContact SD-CZ 3.76Å; M510-A529 HydrophobicContact SD-CB 4.3Å; M510-L537 HydrophobicContact CB-CD1 4.43Å; M510-Y539 HydrophobicContact CE-CE2 4.06Å
511	R	96	Very high	96.6	Very high	180 Å²	180	48.5 Å²	48.5	68%	0.679	24%	0.237	S	C	*	.	S	Bend	trans	-94.9	122.2	-178.3	-66.4	-175.2	178.3	-177.2	0	110.2	S531	R511-S531 PolarHBondContact O-OG 3.29Å
512	A	97.1	Very high	96.5	Very high	9 Å²	9	45.6 Å²	45.6	7%	0.074	23%	0.231	C	C	.	.	S	Bend	trans	47.1	62.2	172.8	0	0	0	0	0	114.5	D486 R514 F532 K533	D486-A512 VanDerWaalsContact OD1-CA 3.25Å; D486-A512 WeakPolarHBondContact OD1-CA 3.42Å; A512-R514 VanDerWaalsContact C-NH1 3.35Å; A512-R514 PolarHBondContact O-NH1 2.84Å; A512-F532 HydrophobicContact CB-CB 4.13Å; A512-F532 WeakPolarHBondContact O-CB 3.43Å; A512-F532 PolarHBondContact O-N 3.32Å; A512-K533 HydrophobicContact CB-CB 4.16Å; A512-K533 HydrophobicContact CB-CG 4.27Å
513	P	97.8	Very high	96.2	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.9	-179.2	28.7	-35.2	0	0	0	112.2	G484 S485 M510 F516 A530	G484-P513 VanDerWaalsContact CA-CG 3.47Å; S485-P513 WeakPolarHBondContact O-CD 3.11Å; M510-P513 HydrophobicContact CG-CB 4.15Å; M510-P513 HydrophobicContact CG-CG 4.11Å; M510-P513 HydrophobicContact SD-CB 3.57Å; M510-P513 VanDerWaalsContact SD-CB 3.57Å; M510-P513 HydrophobicContact SD-CG 3.94Å; P513-F516 HydrophobicContact CB-CE1 4.27Å; P513-F516 HydrophobicContact CB-CE2 4.45Å; P513-F516 HydrophobicContact CB-CZ 3.72Å; P513-F516 HydrophobicContact CG-CZ 4.35Å; P513-A530 CarbonylContact C-O 3.41Å; P513-A530 VanDerWaalsContact CA-O 3.28Å; P513-A530 WeakPolarHBondContact CA-O 3.42Å
514	R	97.4	Very high	96.2	Very high	57 Å²	57	51.8 Å²	51.8	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-21.1	-178	-65.4	-64.3	175.2	-96.8	7.3	115.2	V234 D486 A512 A530 F532	V234-R514 WeakPolarHBondContact O-CB 3.4Å; D486-R514 IonicContact OD1-CZ 3.21Å; D486-R514 IonicContact OD1-NH1 3.68Å; D486-R514 PolarHBondContact OD1-NH1 2.79Å; D486-R514 IonicContact OD1-NH2 3.57Å; D486-R514 IonicContact OD2-CZ 2.7Å; D486-R514 IonicContact OD2-NH1 2.74Å; D486-R514 PolarHBondContact OD2-NH1 3.24Å; D486-R514 IonicContact OD2-NH2 3.55Å; D486-R514 PolarHBondContact OD2-NH2 2.8Å; A512-R514 VanDerWaalsContact C-NH1 3.35Å; A512-R514 PolarHBondContact O-NH1 2.84Å; R514-A530 PolarHBondContact N-O 3.13Å; R514-F532 HydrophobicContact CG-CB 3.7Å; R514-F532 HydrophobicContact CG-CG 4.46Å
515	G	96.9	Very high	96.4	Very high	14 Å²	14	49 Å²	49	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	153.8	178	0	0	0	0	0	110.7	A530	G515-A530 PolarHBondContact O-N 3.47Å
516	F	98.3	Very high	96.6	Very high	14 Å²	14	46.5 Å²	46.5	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.2	175.6	-57	-77	0	0	0	109.5	A469 Y471 I482 M510 P513 L527 L528 A529	A469-F516 HydrophobicContact CB-CD2 3.97Å; A469-F516 HydrophobicContact CB-CE2 3.58Å; A469-F516 HydrophobicContact CB-CZ 4.48Å; Y471-F516 HydrophobicContact CD1-CB 3.87Å; Y471-F516 HydrophobicContact CG-CB 3.82Å; I482-F516 HydrophobicContact CD1-CD1 3.94Å; I482-F516 HydrophobicContact CD1-CE1 3.46Å; I482-F516 VanDerWaalsContact CD1-CE1 3.46Å; I482-F516 HydrophobicContact CD1-CE2 4.42Å; I482-F516 HydrophobicContact CD1-CZ 3.72Å; I482-F516 HydrophobicContact CG1-CE1 4.08Å; I482-F516 HydrophobicContact CG1-CE2 4.15Å; I482-F516 HydrophobicContact CG1-CZ 3.84Å; I482-F516 HydrophobicContact CG2-CB 4.24Å; I482-F516 HydrophobicContact CG2-CD1 4.12Å; I482-F516 HydrophobicContact CG2-CD2 3.69Å; I482-F516 HydrophobicContact CG2-CE1 4.41Å; I482-F516 HydrophobicContact CG2-CE2 3.99Å; I482-F516 HydrophobicContact CG2-CG 3.76Å; I482-F516 HydrophobicContact CG2-CZ 4.34Å; M510-F516 HydrophobicContact CE-CE1 4Å; M510-F516 HydrophobicContact CE-CZ 4.44Å; M510-F516 HydrophobicContact SD-CE1 3.57Å; M510-F516 VanDerWaalsContact SD-CE1 3.57Å; M510-F516 HydrophobicContact SD-CZ 3.76Å; P513-F516 HydrophobicContact CB-CE1 4.27Å; P513-F516 HydrophobicContact CB-CE2 4.45Å; P513-F516 HydrophobicContact CB-CZ 3.72Å; P513-F516 HydrophobicContact CG-CZ 4.35Å; F516-L527 HydrophobicContact CB-CD1 4.27Å; F516-L528 VanDerWaalsContact CA-O 3.22Å; F516-L528 WeakPolarHBondContact CA-O 3.32Å; F516-A529 HydrophobicContact CD1-CB 3.72Å; F516-A529 HydrophobicContact CE1-CB 3.68Å
517	S	98.2	Very high	96.7	Very high	7 Å²	7	44.6 Å²	44.6	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	134.3	176	-175	0	0	0	0	109.1	S238 L528	S238-S517 WeakPolarHBondContact CB-OG 3.36Å; S238-S517 PolarHBondContact N-OG 3.13Å; S238-S517 PolarHBondContact OG-OG 3.29Å; S517-L528 PolarHBondContact N-O 3.19Å; S517-L528 VanDerWaalsContact N-O 3.11Å; S517-L528 WeakPolarHBondContact O-CB 3.45Å; S517-L528 PolarHBondContact O-N 3.36Å
518	L	98.2	Very high	96.8	Very high	26 Å²	26	39.8 Å²	39.8	14%	0.136	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.9	174.8	-175	72.2	0	0	0	109.4	S238 Y471 F473 T474 V475 D525	S238-L518 PolarHBondContact OG-O 2.9Å; Y471-L518 HydrophobicContact CE1-CB 3.99Å; Y471-L518 PolarHBondContact OH-N 3.47Å; F473-L518 HydrophobicContact CB-CD2 4.3Å; F473-L518 HydrophobicContact CD2-CD1 4.24Å; F473-L518 HydrophobicContact CD2-CD2 4.2Å; T474-L518 VanDerWaalsContact O-CD2 3.3Å; T474-L518 WeakPolarHBondContact O-CD2 3.45Å; V475-L518 HydrophobicContact CG2-CD1 4.2Å; V475-L518 HydrophobicContact CG2-CD2 4.15Å; L518-D525 HydrophobicContact CD1-CB 4.44Å
519	V	97.6	Very high	96.9	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.6	168.1	59.6	0	0	0	0	109.2	H245 F269 V521 I526 L528	H245-V519 HydrophobicContact CB-CG2 4.28Å; F269-V519 HydrophobicContact CE2-CG1 4.02Å; F269-V519 HydrophobicContact CZ-CG1 3.68Å; F269-V519 HydrophobicContact CZ-CG2 4.28Å; V519-V521 HydrophobicContact CG2-CB 4.48Å; V519-V521 HydrophobicContact CG2-CG1 4.28Å; V519-I526 HydrophobicContact CG1-CB 3.77Å; V519-I526 HydrophobicContact CG1-CG2 4.31Å; V519-I526 WeakPolarHBondContact CG1-O 3.43Å; V519-I526 PolarHBondContact N-O 2.96Å; V519-I526 PolarHBondContact O-N 3.47Å; V519-L528 HydrophobicContact CG1-CD1 4.08Å; V519-L528 HydrophobicContact CG1-CG 4.49Å
520	S	96.6	Very high	97	Very high	63 Å²	63	34.1 Å²	34.1	44%	0.441	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111.1	176.6	-59	0	0	0	0	108.1	K524 D525	S520-K524 CarbonylContact C-O 3.48Å; S520-K524 VanDerWaalsContact CA-O 3.3Å; S520-K524 WeakPolarHBondContact CA-O 3.34Å; S520-D525 VanDerWaalsContact CB-OD1 3.29Å; S520-D525 WeakPolarHBondContact CB-OD1 3.43Å; S520-D525 PolarHBondContact OG-OD1 2.79Å
521	V	96.5	Very high	97.2	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	138.2	-174.4	59.9	0	0	0	0	110.6	H245 W262 V519 N523 K524 I526	H245-V521 HydrophobicContact CB-CG2 4.41Å; H245-V521 WeakPolarHBondContact CD2-CG2 3.5Å; W262-V521 HydrophobicContact CB-CG2 4.49Å; W262-V521 HydrophobicContact CD2-CG1 3.71Å; W262-V521 HydrophobicContact CD2-CG2 4.02Å; W262-V521 HydrophobicContact CE3-CG1 3.95Å; W262-V521 HydrophobicContact CG-CG1 4.18Å; W262-V521 HydrophobicContact CG-CG2 3.73Å; W262-V521 HydrophobicContact CH2-CG1 4.21Å; W262-V521 HydrophobicContact CZ2-CG1 4Å; W262-V521 HydrophobicContact CZ3-CG1 4.2Å; V519-V521 HydrophobicContact CG2-CB 4.48Å; V519-V521 HydrophobicContact CG2-CG1 4.28Å; V521-N523 VanDerWaalsContact C-N 3.28Å; V521-N523 PolarHBondContact O-N 2.76Å; V521-N523 VanDerWaalsContact O-N 3.17Å; V521-K524 PolarHBondContact N-O 3.34Å; V521-K524 WeakPolarHBondContact O-CA 3.34Å; V521-K524 VanDerWaalsContact O-CB 3.3Å; V521-K524 WeakPolarHBondContact O-CB 3.36Å; V521-K524 PolarHBondContact O-N 2.55Å; V521-I526 HydrophobicContact CG1-CD1 4.45Å
522	D	94.6	Very high	97.2	Very high	64 Å²	64	28.9 Å²	28.9	34%	0.342	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	45.8	179.4	-66.4	-26.2	0	0	0	114.5	W262 H264 M267 K524	W262-D522 HydrophobicContact CZ2-CB 4.44Å; W262-D522 PolarHBondContact NE1-OD2 3.37Å; H264-D522 IonicContact CE1-OD1 2.8Å; H264-D522 IonicContact CE1-OD2 2.71Å; H264-D522 IonicContact CG-OD2 2.95Å; H264-D522 IonicContact ND1-OD1 3.34Å; H264-D522 PolarHBondContact ND1-OD1 3.08Å; H264-D522 IonicContact ND1-OD2 2.84Å; H264-D522 PolarHBondContact ND1-OD2 3.39Å; M267-D522 HydrophobicContact CE-CB 4.39Å; M267-D522 HydrophobicContact SD-CB 3.95Å; D522-K524 PolarHBondContact O-N 2.73Å
523	N	92.2	Very high	97.1	Very high	177 Å²	177	35.6 Å²	35.6	95%	0.947	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	23.9	-175.5	-58.3	-44.3	0	0	0	114.6	V521	V521-N523 VanDerWaalsContact C-N 3.28Å; V521-N523 PolarHBondContact O-N 2.76Å; V521-N523 VanDerWaalsContact O-N 3.17Å
524	K	95.7	Very high	97	Very high	40 Å²	40	36 Å²	36	17%	0.174	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.4	172.4	-62.9	168.1	171.1	-83.1	0	109.2	Y226 W262 S520 V521 D522 I526	Y226-K524 WeakPolarHBondContact OH-CE 3.48Å; Y226-K524 PolarHBondContact OH-NZ 2.53Å; Y226-K524 VanDerWaalsContact OH-NZ 3.14Å; W262-K524 HydrophobicContact CH2-CD 3.81Å; W262-K524 HydrophobicContact CZ2-CD 4.04Å; S520-K524 CarbonylContact C-O 3.48Å; S520-K524 VanDerWaalsContact CA-O 3.3Å; S520-K524 WeakPolarHBondContact CA-O 3.34Å; V521-K524 PolarHBondContact N-O 3.34Å; V521-K524 WeakPolarHBondContact O-CA 3.34Å; V521-K524 VanDerWaalsContact O-CB 3.3Å; V521-K524 WeakPolarHBondContact O-CB 3.36Å; V521-K524 PolarHBondContact O-N 2.55Å; D522-K524 PolarHBondContact O-N 2.73Å; K524-I526 HydrophobicContact CB-CD1 4.25Å; K524-I526 HydrophobicContact CB-CG1 4.12Å
525	D	97.9	Very high	97	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115	167.5	-62.6	-69.3	0	0	0	108.4	V475 L518 S520 H541	V475-D525 HydrophobicContact CG1-CB 3.8Å; V475-D525 VanDerWaalsContact CG1-OD2 3.26Å; V475-D525 WeakPolarHBondContact CG1-OD2 3.32Å; V475-D525 HydrophobicContact CG2-CB 4.06Å; L518-D525 HydrophobicContact CD1-CB 4.44Å; S520-D525 VanDerWaalsContact CB-OD1 3.29Å; S520-D525 WeakPolarHBondContact CB-OD1 3.43Å; S520-D525 PolarHBondContact OG-OD1 2.79Å; D525-H541 HydrophobicContact CB-CB 4.03Å; D525-H541 PolarHBondContact O-N 3.35Å
526	I	98.4	Very high	97	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.8	-173.4	-57.1	171.5	0	0	0	109	Y226 W262 F269 V519 V521 K524 A538 Y539	Y226-I526 HydrophobicContact CD1-CD1 4.01Å; Y226-I526 HydrophobicContact CE1-CD1 3.9Å; W262-I526 HydrophobicContact CH2-CD1 3.81Å; W262-I526 HydrophobicContact CZ3-CD1 3.58Å; F269-I526 HydrophobicContact CE2-CD1 4.05Å; F269-I526 HydrophobicContact CE2-CG2 4.48Å; V519-I526 HydrophobicContact CG1-CB 3.77Å; V519-I526 HydrophobicContact CG1-CG2 4.31Å; V519-I526 WeakPolarHBondContact CG1-O 3.43Å; V519-I526 PolarHBondContact N-O 2.96Å; V519-I526 PolarHBondContact O-N 3.47Å; V521-I526 HydrophobicContact CG1-CD1 4.45Å; K524-I526 HydrophobicContact CB-CD1 4.25Å; K524-I526 HydrophobicContact CB-CG1 4.12Å; I526-A538 HydrophobicContact CG2-CB 3.72Å; I526-Y539 CarbonylContact C-O 3.58Å; I526-Y539 VanDerWaalsContact CA-O 3.32Å; I526-Y539 WeakPolarHBondContact CA-O 3.46Å
527	L	98.6	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.4	174.2	180	67.9	0	0	0	109.7	F223 Y471 F473 I482 F516 A538 Y539	F223-L527 HydrophobicContact CD1-CB 4.39Å; F223-L527 HydrophobicContact CD1-CD2 4.38Å; F223-L527 HydrophobicContact CE1-CB 4.44Å; F223-L527 HydrophobicContact CE1-CD2 4.41Å; Y471-L527 HydrophobicContact CD1-CD1 4.13Å; Y471-L527 HydrophobicContact CE1-CD1 4.37Å; F473-L527 HydrophobicContact CD1-CD1 4.49Å; F473-L527 HydrophobicContact CE1-CD1 4.37Å; F473-L527 HydrophobicContact CE1-CD2 4.24Å; F473-L527 HydrophobicContact CZ-CD1 4.45Å; F473-L527 HydrophobicContact CZ-CD2 3.97Å; I482-L527 HydrophobicContact CD1-CD2 3.82Å; I482-L527 HydrophobicContact CG2-CD2 4.44Å; F516-L527 HydrophobicContact CB-CD1 4.27Å; L527-A538 CarbonylContact O-C 3.56Å; L527-A538 WeakPolarHBondContact O-CA 3.27Å; L527-Y539 PolarHBondContact N-O 2.91Å; L527-Y539 PolarHBondContact O-N 2.89Å
528	L	98.6	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.7	175.1	-59.5	154.8	0	0	0	109.9	F229 V236 V247 F249 F516 S517 V519 A538	F229-L528 HydrophobicContact CE2-CD2 4.17Å; V236-L528 HydrophobicContact CG1-CB 4.38Å; V236-L528 HydrophobicContact CG2-CB 3.81Å; V236-L528 HydrophobicContact CG2-CD1 4.04Å; V236-L528 HydrophobicContact CG2-CG 4.47Å; V247-L528 HydrophobicContact CB-CD1 4.29Å; V247-L528 HydrophobicContact CG1-CD1 3.66Å; V247-L528 HydrophobicContact CG1-CD2 4.48Å; V247-L528 HydrophobicContact CG2-CD1 3.57Å; F249-L528 HydrophobicContact CZ-CD2 4.31Å; F516-L528 VanDerWaalsContact CA-O 3.22Å; F516-L528 WeakPolarHBondContact CA-O 3.32Å; S517-L528 PolarHBondContact N-O 3.19Å; S517-L528 VanDerWaalsContact N-O 3.11Å; S517-L528 WeakPolarHBondContact O-CB 3.45Å; S517-L528 PolarHBondContact O-N 3.36Å; V519-L528 HydrophobicContact CG1-CD1 4.08Å; V519-L528 HydrophobicContact CG1-CG 4.49Å; L528-A538 HydrophobicContact CD2-CB 3.96Å
529	A	98.4	Very high	97	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	108.6	-177.9	0	0	0	0	0	110.9	M510 F516 T536 L537 Y539	M510-A529 HydrophobicContact SD-CB 4.3Å; F516-A529 HydrophobicContact CD1-CB 3.72Å; F516-A529 HydrophobicContact CE1-CB 3.68Å; A529-T536 WeakPolarHBondContact O-CG2 3.29Å; A529-L537 PolarHBondContact N-O 3.34Å; A529-L537 PolarHBondContact O-N 2.66Å; A529-Y539 HydrophobicContact CB-CE2 4.16Å
530	A	98.3	Very high	97.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.4	174.8	0	0	0	0	0	110.9	S233 V236 P513 R514 G515	S233-A530 VanDerWaalsContact OG-CA 3.27Å; S233-A530 WeakPolarHBondContact OG-CA 3.38Å; S233-A530 VanDerWaalsContact OG-CB 3.26Å; S233-A530 WeakPolarHBondContact OG-CB 3.23Å; V236-A530 HydrophobicContact CB-CB 4.2Å; V236-A530 HydrophobicContact CG1-CB 3.96Å; P513-A530 CarbonylContact C-O 3.41Å; P513-A530 VanDerWaalsContact CA-O 3.28Å; P513-A530 WeakPolarHBondContact CA-O 3.42Å; R514-A530 PolarHBondContact N-O 3.13Å; G515-A530 PolarHBondContact O-N 3.47Å
531	S	97.9	Very high	97.1	Very high	4 Å²	4	35 Å²	35	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.9	-177.6	178.5	0	0	0	0	111.6	H232 S233 R511 G534 N535	H232-S531 CarbonylContact C-O 3.59Å; H232-S531 VanDerWaalsContact CA-O 3.31Å; H232-S531 WeakPolarHBondContact CA-O 3.37Å; S233-S531 PolarHBondContact N-O 2.83Å; S233-S531 CarbonylContact O-C 3.5Å; S233-S531 PolarHBondContact O-N 3.47Å; R511-S531 PolarHBondContact O-OG 3.29Å; S531-G534 WeakPolarHBondContact CB-O 3.36Å; S531-G534 VanDerWaalsContact OG-C 3.27Å; S531-G534 VanDerWaalsContact OG-CA 3.27Å; S531-G534 WeakPolarHBondContact OG-CA 3.23Å; S531-G534 PolarHBondContact OG-N 3.31Å; S531-G534 PolarHBondContact OG-O 3.34Å; S531-N535 VanDerWaalsContact CB-O 3.22Å; S531-N535 WeakPolarHBondContact CB-O 3.37Å
532	F	96.9	Very high	97	Very high	78 Å²	78	37.7 Å²	37.7	34%	0.342	19%	0.19	S	C	.	.	S	Bend	trans	-78.8	-27	-178.6	-175.6	-119.5	0	0	0	114.1	V234 A512 R514	V234-F532 HydrophobicContact CG1-CD2 3.53Å; V234-F532 HydrophobicContact CG1-CE2 3.97Å; A512-F532 HydrophobicContact CB-CB 4.13Å; A512-F532 WeakPolarHBondContact O-CB 3.43Å; A512-F532 PolarHBondContact O-N 3.32Å; R514-F532 HydrophobicContact CG-CB 3.7Å; R514-F532 HydrophobicContact CG-CG 4.46Å
533	K	94.9	Very high	96.7	Very high	149 Å²	149	39.5 Å²	39.5	65%	0.648	20%	0.203	S	C	*	.	S	Bend	trans	-126.2	-9	-174.8	-74.3	-167.3	174.8	-176.4	0	114.6	A512	A512-K533 HydrophobicContact CB-CB 4.16Å; A512-K533 HydrophobicContact CB-CG 4.27Å
534	G	94.6	Very high	96.3	Very high	11 Å²	11	32.7 Å²	32.7	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	-126.5	-171.8	178.5	0	0	0	0	0	110.6	H232 S531	H232-G534 PolarHBondContact CD2-O 3.47Å; S531-G534 WeakPolarHBondContact CB-O 3.36Å; S531-G534 VanDerWaalsContact OG-C 3.27Å; S531-G534 VanDerWaalsContact OG-CA 3.27Å; S531-G534 WeakPolarHBondContact OG-CA 3.23Å; S531-G534 PolarHBondContact OG-N 3.31Å; S531-G534 PolarHBondContact OG-O 3.34Å
535	N	97.1	Very high	95.7	Very high	80 Å²	80	34.1 Å²	34.1	43%	0.428	18%	0.177	S	C	.	.			trans	-65.5	139.5	173.3	-65.8	-17.5	0	0	0	109.8	T228 F229 S531 L537	T228-N535 HydrophobicContact CG2-CB 3.72Å; F229-N535 WeakPolarHBondContact O-CB 3.16Å; S531-N535 VanDerWaalsContact CB-O 3.22Å; S531-N535 WeakPolarHBondContact CB-O 3.37Å; N535-L537 HydrophobicContact CB-CD2 4.46Å
536	T	98.1	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.7	166.7	-61.3	0	0	0	0	108.3	F229 F231 S233 F249 A529	F229-T536 HydrophobicContact CB-CG2 4.32Å; F229-T536 WeakPolarHBondContact CB-O 3.25Å; F229-T536 HydrophobicContact CD2-CG2 3.98Å; F229-T536 HydrophobicContact CG-CG2 4.5Å; F229-T536 PolarHBondContact N-O 3.43Å; F229-T536 PolarHBondContact O-N 3.47Å; F231-T536 HydrophobicContact CE2-CG2 4.11Å; F231-T536 PolarHBondContact O-N 3.41Å; F231-T536 PolarHBondContact O-OG1 3.12Å; S233-T536 PolarHBondContact N-OG1 2.97Å; S233-T536 WeakPolarHBondContact OG-CG2 3.14Å; S233-T536 PolarHBondContact OG-OG1 2.89Å; F249-T536 HydrophobicContact CD1-CG2 3.9Å; F249-T536 HydrophobicContact CE1-CG2 3.44Å; F249-T536 VanDerWaalsContact CE1-CG2 3.44Å; F249-T536 HydrophobicContact CZ-CG2 4.17Å; A529-T536 WeakPolarHBondContact O-CG2 3.29Å
537	L	98.3	Very high	93.7	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.12	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.4	-170.9	-62	174.6	0	0	0	111.4	T228 M510 A529 N535 Y539	T228-L537 HydrophobicContact CG2-CD2 3.89Å; M510-L537 HydrophobicContact CB-CD1 4.43Å; A529-L537 PolarHBondContact N-O 3.34Å; A529-L537 PolarHBondContact O-N 2.66Å; N535-L537 HydrophobicContact CB-CD2 4.46Å; L537-Y539 HydrophobicContact CB-CD2 4.43Å; L537-Y539 HydrophobicContact CB-CE2 3.81Å; L537-Y539 HydrophobicContact CD1-CE2 4.18Å; L537-Y539 WeakPolarHBondContact CD1-OH 3.4Å
538	A	98.3	Very high	92.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.3	163.4	0	0	0	0	0	109	Y226 E227 F229 I526 L527 L528	Y226-A538 PolarHBondContact N-O 2.85Å; E227-A538 HydrophobicContact CB-CB 4.06Å; E227-A538 PolarHBondContact N-O 2.79Å; E227-A538 PolarHBondContact O-N 3.08Å; F229-A538 HydrophobicContact CE2-CB 4.04Å; I526-A538 HydrophobicContact CG2-CB 3.72Å; L527-A538 CarbonylContact O-C 3.56Å; L527-A538 WeakPolarHBondContact O-CA 3.27Å; L528-A538 HydrophobicContact CD2-CB 3.96Å
539	Y	98.4	Very high	90	Very high	6 Å²	6	48.4 Å²	48.4	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.8	175.9	-63.2	-95.4	0	0	0	110	A224 V225 L508 N509 M510 I526 L527 A529 L537	A224-Y539 CarbonylContact O-C 3.48Å; A224-Y539 WeakPolarHBondContact O-CA 3.48Å; V225-Y539 HydrophobicContact CG2-CD1 3.96Å; V225-Y539 HydrophobicContact CG2-CE1 3.53Å; L508-Y539 HydrophobicContact CB-CE1 4.46Å; L508-Y539 HydrophobicContact CD1-CD1 4.36Å; L508-Y539 HydrophobicContact CD1-CD2 4.37Å; L508-Y539 HydrophobicContact CD1-CE1 4.27Å; L508-Y539 HydrophobicContact CD1-CE2 4.28Å; L508-Y539 HydrophobicContact CD1-CG 4.41Å; L508-Y539 HydrophobicContact CD2-CD1 4.14Å; L508-Y539 HydrophobicContact CD2-CE1 3.94Å; L508-Y539 HydrophobicContact CG-CE1 4.45Å; N509-Y539 PolarHBondContact O-OH 3.01Å; M510-Y539 HydrophobicContact CE-CE2 4.06Å; I526-Y539 CarbonylContact C-O 3.58Å; I526-Y539 VanDerWaalsContact CA-O 3.32Å; I526-Y539 WeakPolarHBondContact CA-O 3.46Å; L527-Y539 PolarHBondContact N-O 2.91Å; L527-Y539 PolarHBondContact O-N 2.89Å; A529-Y539 HydrophobicContact CB-CE2 4.16Å; L537-Y539 HydrophobicContact CB-CD2 4.43Å; L537-Y539 HydrophobicContact CB-CE2 3.81Å; L537-Y539 HydrophobicContact CD1-CE2 4.18Å; L537-Y539 WeakPolarHBondContact CD1-OH 3.4Å
540	Q	97.8	Very high	89.6	Confident	37 Å²	37	50.8 Å²	50.8	17%	0.173	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.8	172.9	-174	-176.5	0.4	0	0	109.5	F223 A224 Y226 L542	F223-Q540 WeakPolarHBondContact CA-O 3.13Å; A224-Q540 PolarHBondContact N-O 2.59Å; A224-Q540 PolarHBondContact O-N 3.45Å; Y226-Q540 HydrophobicContact CD2-CB 3.75Å; Y226-Q540 HydrophobicContact CD2-CG 4.35Å; Y226-Q540 VanDerWaalsContact CD2-OE1 3.25Å; Y226-Q540 VanDerWaalsContact CE2-OE1 3.31Å; Y226-Q540 HydrophobicContact CG-CB 4Å; Q540-L542 VanDerWaalsContact CD-CD2 3.5Å; Q540-L542 HydrophobicContact CG-CD2 3.88Å; Q540-L542 HydrophobicContact CG-CG 4.42Å
541	H	97.3	Very high	89.1	Confident	19 Å²	19	53.4 Å²	53.4	9%	0.088	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.5	166.9	-176.3	-91.4	0	0	0	109.9	A221 D222 F223 V475 Y480 D525	A221-H541 WeakPolarHBondContact CB-NE2 3.21Å; D222-H541 WeakPolarHBondContact O-CA 3.25Å; F223-H541 HydrophobicContact CD1-CB 4.3Å; F223-H541 HydrophobicContact CE1-CB 4.04Å; F223-H541 AromaticContact CE1-CD2 3.76Å; F223-H541 AromaticContact CE2-CD2 3.95Å; F223-H541 AromaticContact CZ-CD2 3.5Å; V475-H541 HydrophobicContact CG1-CB 4.32Å; V475-H541 WeakPolarHBondContact CG1-ND1 3.42Å; Y480-H541 AromaticContact CE2-NE2 3.7Å; Y480-H541 AromaticContact CZ-NE2 3.66Å; Y480-H541 PolarHBondContact OH-NE2 2.8Å; Y480-H541 VanDerWaalsContact OH-NE2 3.11Å; D525-H541 HydrophobicContact CB-CB 4.03Å; D525-H541 PolarHBondContact O-N 3.35Å
542	L	94.3	Very high	88.6	Confident	62 Å²	62	56.1 Å²	56.1	33%	0.325	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131	-179.5	-61.4	176.6	0	0	0	109.3	A221 D222 A224 Q540	A221-L542 CarbonylContact C-O 3.57Å; A221-L542 WeakPolarHBondContact CA-O 3.3Å; A221-L542 WeakPolarHBondContact CB-O 3.42Å; D222-L542 PolarHBondContact N-O 3.37Å; D222-L542 PolarHBondContact O-N 3.33Å; A224-L542 HydrophobicContact CB-CD1 3.7Å; Q540-L542 VanDerWaalsContact CD-CD2 3.5Å; Q540-L542 HydrophobicContact CG-CD2 3.88Å; Q540-L542 HydrophobicContact CG-CG 4.42Å
543	V	88.6	Confident	88.2	Confident	102 Å²	102	54.8 Å²	54.8	62%	0.618	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.1	169.9	179.9	0	0	0	0	108.6	I219	I219-V543 HydrophobicContact CG2-CG1 3.36Å
544	V	84.6	Confident	87.7	Confident	34 Å²	34	48.9 Å²	48.9	21%	0.206	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.3	-176.2	-177.3	0	0	0	0	109.7	I219 T220 D222 L546	I219-V544 CarbonylContact C-O 3.48Å; I219-V544 WeakPolarHBondContact CA-O 3.06Å; T220-V544 HydrophobicContact CG2-CB 3.91Å; T220-V544 HydrophobicContact CG2-CG1 4.43Å; T220-V544 PolarHBondContact N-O 3.35Å; T220-V544 PolarHBondContact O-N 3.29Å; D222-V544 HydrophobicContact CB-CG2 3.95Å; V544-L546 HydrophobicContact CG1-CD2 4.12Å
545	D	82.4	Confident	87.3	Confident	70 Å²	70	51.5 Å²	51.5	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.2	170.5	-174.5	-3.1	0	0	0	110.4	S547 A548	D545-S547 VanDerWaalsContact CG-OG 3.24Å; D545-S547 PolarHBondContact O-N 2.74Å; D545-S547 WeakPolarHBondContact OD1-CB 3.47Å; D545-S547 PolarHBondContact OD1-N 3.35Å; D545-S547 PolarHBondContact OD1-OG 2.74Å; D545-S547 PolarHBondContact OD2-OG 3.26Å; D545-A548 HydrophobicContact CB-CB 4.45Å; D545-A548 PolarHBondContact O-N 3.43Å
546	L	80.5	Confident	86.6	Confident	69 Å²	69	49.4 Å²	49.4	36%	0.361	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.9	179	-61.5	177.6	0	0	0	113.4	C176 C218 T220 V544 A548	C176-L546 HydrophobicContact CB-CB 3.71Å; C218-L546 HydrophobicContact CB-CB 4.35Å; C218-L546 WeakPolarHBondContact O-CB 3.44Å; C218-L546 PolarHBondContact O-N 3.01Å; T220-L546 HydrophobicContact CG2-CD1 3.96Å; T220-L546 HydrophobicContact CG2-CD2 4.08Å; T220-L546 HydrophobicContact CG2-CG 3.91Å; V544-L546 HydrophobicContact CG1-CD2 4.12Å; L546-A548 VanDerWaalsContact C-N 3.32Å
547	S	73.8	Confident	85.7	Confident	19 Å²	19	53.2 Å²	53.2	13%	0.133	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.9	175.3	73.5	0	0	0	0	113.6	R153 D545	R153-S547 PolarHBondContact NH1-O 2.91Å; R153-S547 VanDerWaalsContact NH1-O 3.11Å; D545-S547 VanDerWaalsContact CG-OG 3.24Å; D545-S547 PolarHBondContact O-N 2.74Å; D545-S547 WeakPolarHBondContact OD1-CB 3.47Å; D545-S547 PolarHBondContact OD1-N 3.35Å; D545-S547 PolarHBondContact OD1-OG 2.74Å; D545-S547 PolarHBondContact OD2-OG 3.26Å
548	A	64.7	Low	84.6	Confident	64 Å²	64	55.8 Å²	55.8	53%	0.529	30%	0.304	S	S	.	.			trans	-93.2	-11.6	-179	0	0	0	0	0	114.2	D545 L546	D545-A548 HydrophobicContact CB-CB 4.45Å; D545-A548 PolarHBondContact O-N 3.43Å; L546-A548 VanDerWaalsContact C-N 3.32Å
549	K	55.2	Low	83.4	Confident	187 Å²	187	60.8 Å²	60.8	81%	0.813	33%	0.331	S	S	*	.			trans	-97.9	0	175.2	-73.5	-175.8	178	178.7	0	110.3

Retrieved 549 of 549 residues in 294.9 ms (Link to these results)

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