A0A087YQY5_POEFO Loading...

Leucine rich repeat and Ig domain containing 1

AlphaFold DB , UniProt , Accession A0A087YQY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 615 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	32.4	Very low	239 Å²	239	153.5 Å²	153.5	100%	1.177	82%	0.816	S	S	*	*				0	115.9	0	-88.8	171.4	167.8	0	0	107.8
2	V	32.5	Very low	32.8	Very low	146 Å²	146	154.8 Å²	154.8	89%	0.885	82%	0.822	S	S	*	*			trans	54.9	133.7	156.2	-166.6	0	0	0	0	118.1
3	A	32	Very low	33.7	Very low	77 Å²	77	154.5 Å²	154.5	64%	0.636	83%	0.829	S	S	*	*			cis	-177.6	163.4	-19.3	0	0	0	0	0	107.6
4	R	31.5	Very low	34.8	Very low	205 Å²	205	150.8 Å²	150.8	77%	0.774	83%	0.831	S	S	*	*			trans	71.7	117.7	150.8	-83.4	-174.4	153.5	146.2	4.3	119.8
5	E	33.2	Very low	35.9	Very low	156 Å²	156	146.9 Å²	146.9	73%	0.729	82%	0.817	S	S	*	*				98.9	149.2	99.3	-88.7	168.5	-172.5	0	0	109.3
6	A	32.1	Very low	36.6	Very low	78 Å²	78	150.6 Å²	150.6	65%	0.645	82%	0.815	S	S	*	*			cis	-166	149.1	-18	0	0	0	0	0	106.1
7	T	32.2	Very low	37.3	Very low	144 Å²	144	151.8 Å²	151.8	88%	0.883	81%	0.814	S	S	*	*			trans	26.8	130.4	149.6	57.5	0	0	0	0	122.1
8	G	28.3	Very low	38	Very low	74 Å²	74	148.2 Å²	148.2	76%	0.763	80%	0.8	S	S	*	*			trans	142.9	107.2	134.5	0	0	0	0	0	119.1
9	R	32.1	Very low	38.9	Very low	248 Å²	248	145.1 Å²	145.1	94%	0.936	78%	0.782	S	S	*	*			trans	80.9	125.3	137.1	-100.2	179.2	-178.8	177.6	0	122.5
10	S	31.7	Very low	39.5	Very low	95 Å²	95	144.1 Å²	144.1	66%	0.664	78%	0.776	S	S	*	*				104.7	94.2	129.2	-59.8	0	0	0	0	118.7
11	Y	39.4	Very low	40.2	Very low	226 Å²	226	143.5 Å²	143.5	89%	0.886	77%	0.771	S	S	*	*			trans	-11.2	120.8	134.4	-58.6	-90.7	0	0	0	114.3
12	L	37.7	Very low	41.2	Very low	170 Å²	170	138.6 Å²	138.6	89%	0.89	75%	0.749	S	S	*	*			trans	179.5	44.8	149.7	-97.4	-178.5	0	0	0	112.5
13	V	44.6	Very low	41.9	Very low	150 Å²	150	137.5 Å²	137.5	91%	0.909	74%	0.736	S	S	*	*	S	Bend	trans	-125.1	7.2	179.6	-169.4	0	0	0	0	114.3
14	A	49.4	Very low	42.6	Very low	103 Å²	103	139.8 Å²	139.8	85%	0.851	74%	0.736	S	S	*	*	S	Bend	trans	-117	50.3	-177.2	0	0	0	0	0	113.9
15	C	50.2	Low	43.1	Very low	93 Å²	93	131.9 Å²	131.9	63%	0.628	72%	0.719	S	S	*	*	S	Bend	trans	-147.3	14.7	176.7	-128.3	0	0	0	0	117.1
16	W	47.3	Very low	43.6	Very low	205 Å²	205	127 Å²	127	78%	0.777	71%	0.705	S	S	*	*	S	Bend	trans	-125.8	1.2	-176.9	-74.1	75.9	0	0	0	115.5
17	Q	48.4	Very low	44	Very low	171 Å²	171	129 Å²	129	80%	0.799	71%	0.709	S	S	*	*	H	α-helix	trans	-79.5	-25.4	173.3	-84.7	179.5	-31.4	0	0	115.9
18	P	51.3	Low	44.5	Very low	88 Å²	88	129.8 Å²	129.8	57%	0.571	71%	0.707	S	S	*	*	H	α-helix	trans	-76.8	-24.9	175.1	-9	24.7	0	0	0	112.8	L22	P18-L22 PolarHBondContact O-N 2.92Å
19	I	54.8	Low	45.2	Very low	88 Å²	88	130.2 Å²	130.2	45%	0.451	70%	0.698	S	S	.	*	H	α-helix	trans	-79.7	-34.3	-174.6	-58.4	173.4	0	0	0	110.8	L22 M23	I19-L22 PolarHBondContact O-N 3.48Å; I19-M23 HydrophobicContact CG2-CG 4.41Å; I19-M23 WeakPolarHBondContact O-CB 3.27Å; I19-M23 VanDerWaalsContact O-CG 3.23Å; I19-M23 WeakPolarHBondContact O-CG 3.23Å; I19-M23 PolarHBondContact O-N 3.24Å
20	L	50.7	Low	45.4	Very low	126 Å²	126	120.8 Å²	120.8	66%	0.66	68%	0.678	S	S	*	*	H	α-helix	trans	-71.6	-30.9	178.1	-143.8	90.7	0	0	0	112.5	M23 L24	L20-M23 PolarHBondContact O-N 3.21Å; L20-L24 PolarHBondContact O-N 2.86Å
21	I	54.3	Low	45.8	Very low	132 Å²	132	121.6 Å²	121.6	68%	0.677	68%	0.684	S	S	*	*	H	α-helix	trans	-77.7	-31.5	175.1	-62.5	174.9	0	0	0	110.9	G25	I21-G25 PolarHBondContact O-N 3.39Å
22	L	51.8	Low	46.2	Very low	135 Å²	135	117.2 Å²	117.2	71%	0.707	68%	0.681	S	S	*	*	H	α-helix	trans	-70.1	-31.8	169.9	-121.2	122.6	0	0	0	112.3	P18 I19 A26	P18-L22 PolarHBondContact O-N 2.92Å; I19-L22 PolarHBondContact O-N 3.48Å; L22-A26 WeakPolarHBondContact O-CB 3.41Å; L22-A26 PolarHBondContact O-N 3.01Å
23	M	47.9	Very low	47.3	Very low	124 Å²	124	115.4 Å²	115.4	61%	0.611	68%	0.677	S	S	*	*	H	α-helix	trans	-79.4	-30.8	175.6	-69.1	-69.6	-80.9	0	0	112.9	I19 L20 V27	I19-M23 HydrophobicContact CG2-CG 4.41Å; I19-M23 WeakPolarHBondContact O-CB 3.27Å; I19-M23 VanDerWaalsContact O-CG 3.23Å; I19-M23 WeakPolarHBondContact O-CG 3.23Å; I19-M23 PolarHBondContact O-N 3.24Å; L20-M23 PolarHBondContact O-N 3.21Å; M23-V27 VanDerWaalsContact O-CG2 3.27Å; M23-V27 WeakPolarHBondContact O-CG2 3.12Å; M23-V27 PolarHBondContact O-N 2.93Å
24	L	45.4	Very low	48.4	Very low	124 Å²	124	110 Å²	110	65%	0.649	65%	0.651	S	S	*	*	H	α-helix	trans	-77.5	-30	170	-119.9	83	0	0	0	112.5	L20	L20-L24 PolarHBondContact O-N 2.86Å
25	G	41.5	Very low	50.1	Low	40 Å²	40	107.8 Å²	107.8	41%	0.412	63%	0.629	S	S	.	*	H	α-helix	trans	-69.2	-33.9	168.7	0	0	0	0	0	112.7	I21 L28 S29	I21-G25 PolarHBondContact O-N 3.39Å; G25-L28 PolarHBondContact O-N 3.05Å; G25-S29 PolarHBondContact O-N 3.38Å; G25-S29 PolarHBondContact O-OG 2.89Å
26	A	43.7	Very low	52	Low	52 Å²	52	103.8 Å²	103.8	43%	0.43	60%	0.602	S	S	.	*	H	α-helix	trans	-77.4	-17	177.1	0	0	0	0	0	114.5	L22 S29	L22-A26 WeakPolarHBondContact O-CB 3.41Å; L22-A26 PolarHBondContact O-N 3.01Å; A26-S29 WeakPolarHBondContact CA-OG 3.43Å
27	V	42	Very low	53.9	Low	122 Å²	122	100.1 Å²	100.1	74%	0.739	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-12.1	172.6	175.6	0	0	0	0	111.7	M23	M23-V27 VanDerWaalsContact O-CG2 3.27Å; M23-V27 WeakPolarHBondContact O-CG2 3.12Å; M23-V27 PolarHBondContact O-N 2.93Å
28	L	42.9	Very low	55.8	Low	160 Å²	160	99.4 Å²	99.4	84%	0.838	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-2.8	169.9	-77.5	163.5	0	0	0	113.9	G25	G25-L28 PolarHBondContact O-N 3.05Å
29	S	42	Very low	57.9	Low	83 Å²	83	96 Å²	96	58%	0.58	58%	0.575	S	S	*	*			trans	-105.3	51.2	160.6	52.5	0	0	0	0	110.7	G25 A26 S31	G25-S29 PolarHBondContact O-N 3.38Å; G25-S29 PolarHBondContact O-OG 2.89Å; A26-S29 WeakPolarHBondContact CA-OG 3.43Å; S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 VanDerWaalsContact O-N 3.14Å
30	G	36.6	Very low	59.7	Low	49 Å²	49	97.7 Å²	97.7	51%	0.505	58%	0.581	S	S	.	*			trans	-54.5	119.6	149.5	0	0	0	0	0	106.8	T32	G30-T32 PolarHBondContact O-N 2.71Å
31	S	40.3	Very low	61.7	Low	113 Å²	113	93.7 Å²	93.7	79%	0.79	56%	0.564	S	S	*	*			trans	-60.7	82.8	176.2	42.8	0	0	0	0	110	S29 T33	S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 VanDerWaalsContact O-N 3.14Å; S31-T33 PolarHBondContact O-N 3.08Å; S31-T33 VanDerWaalsContact O-N 3.08Å
32	T	48.1	Very low	63.5	Low	134 Å²	134	90.3 Å²	90.3	82%	0.822	55%	0.547	S	S	*	.			trans	-80	62	171.2	55.7	0	0	0	0	109.6	G30	G30-T32 PolarHBondContact O-N 2.71Å
33	T	59.3	Low	65.2	Low	132 Å²	132	89.6 Å²	89.6	81%	0.81	55%	0.548	S	S	*	.			trans	-152.9	106.2	172.1	51.4	0	0	0	0	109.6	S31	S31-T33 PolarHBondContact O-N 3.08Å; S31-T33 VanDerWaalsContact O-N 3.08Å
34	G	68.6	Low	67.2	Low	35 Å²	35	89 Å²	89	36%	0.361	55%	0.554	S	S	.	*	S	Bend	trans	170.3	-17.2	170.5	0	0	0	0	0	114.1	G61 P63	G34-G61 CarbonylContact C-O 3.56Å; G34-P63 WeakPolarHBondContact O-CD 3.38Å; G34-P63 WeakPolarHBondContact O-CG 3.01Å
35	C	85	Confident	69.3	Low	57 Å²	57	89.1 Å²	89.1	39%	0.385	55%	0.551	S	S	.	*	S	Bend	trans	-110.4	130.9	171.4	-168.7	0	0	0	0	110	S37 C39 C41	C35-S37 PolarHBondContact O-N 2.87Å; C35-C39 PolarHBondContact SG-O 3.49Å; C35-C41 WeakPolarHBondContact CA-SG 3.48Å; C35-C41 HydrophobicContact CB-CB 3.68Å; C35-C41 WeakPolarHBondContact CB-SG 3.49Å; C35-C41 WeakPolarHBondContact SG-CB 3.29Å; C35-C41 PolarHBondContact SG-N 3.31Å; C35-C41 VanDerWaalsContact SG-N 3.38Å; C35-C41 CovalentContact SG-SG 2.02Å; C35-C41 PolarHBondContact SG-SG 2.94Å
36	P	90.5	Very high	71.8	Confident	10 Å²	10	92.2 Å²	92.2	7%	0.065	55%	0.55	C	S	.	.			trans	-58.4	137.5	174.7	-20.4	30.5	0	0	0	110.7	R38 C39 P59 G61 I62	P36-R38 PolarHBondContact O-N 3.39Å; P36-C39 HydrophobicContact CB-CB 4.08Å; P36-C39 HydrophobicContact CG-CB 4.27Å; P36-C39 PolarHBondContact O-N 2.97Å; P36-P59 HydrophobicContact CB-CB 4.1Å; P36-P59 HydrophobicContact CB-CG 4.36Å; P36-P59 HydrophobicContact CG-CB 4.37Å; P36-P59 HydrophobicContact CG-CG 4.25Å; P36-G61 WeakPolarHBondContact CD-O 3.31Å; P36-I62 HydrophobicContact CG-CG1 3.71Å
37	S	86.6	Confident	74.3	Confident	128 Å²	128	90 Å²	90	90%	0.895	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.6	-171.4	59.8	0	0	0	0	115.3	C35	C35-S37 PolarHBondContact O-N 2.87Å
38	R	89.3	Confident	76.8	Confident	156 Å²	156	84.2 Å²	84.2	59%	0.589	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-8.1	178	-63	-171.7	177.9	-175.2	3.4	113.5	P36 K53	P36-R38 PolarHBondContact O-N 3.39Å; R38-K53 HydrophobicContact CB-CB 4.29Å; R38-K53 HydrophobicContact CB-CG 4.47Å; R38-K53 WeakPolarHBondContact O-CD 3.03Å; R38-K53 WeakPolarHBondContact O-CE 3.37Å; R38-K53 VanDerWaalsContact O-CG 3.26Å; R38-K53 WeakPolarHBondContact O-CG 3.26Å; R38-K53 PolarHBondContact O-NZ 3.45Å
39	C	93.7	Very high	79.4	Confident	15 Å²	15	79.8 Å²	79.8	10%	0.101	47%	0.472	C	S	.	.	S	Bend	trans	-108.7	163.1	-172.7	-57.6	0	0	0	0	111.8	C35 P36 V48 M49 C50	C35-C39 PolarHBondContact SG-O 3.49Å; P36-C39 HydrophobicContact CB-CB 4.08Å; P36-C39 HydrophobicContact CG-CB 4.27Å; P36-C39 PolarHBondContact O-N 2.97Å; C39-V48 HydrophobicContact CB-CG1 4.29Å; C39-M49 WeakPolarHBondContact CA-O 3.28Å; C39-M49 WeakPolarHBondContact CB-O 3.35Å; C39-C50 HydrophobicContact CB-CB 4.1Å; C39-C50 WeakPolarHBondContact CB-SG 3.01Å; C39-C50 WeakPolarHBondContact SG-CB 3.43Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 2.76Å
40	E	93.6	Very high	82	Confident	124 Å²	124	75.8 Å²	75.8	58%	0.579	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.7	177.1	-71.6	155.7	-132.5	0	0	108	M49 K53	E40-M49 HydrophobicContact CB-CB 4.34Å; E40-M49 PolarHBondContact N-O 3.18Å; E40-M49 PolarHBondContact O-N 3.31Å; E40-K53 IonicContact OE1-NZ 2.89Å; E40-K53 PolarHBondContact OE1-NZ 2.88Å
41	C	93.1	Very high	84.7	Confident	43 Å²	43	76.5 Å²	76.5	29%	0.291	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.8	-178.3	-54	0	0	0	0	110.6	C35 S47 V48	C35-C41 WeakPolarHBondContact CA-SG 3.48Å; C35-C41 HydrophobicContact CB-CB 3.68Å; C35-C41 WeakPolarHBondContact CB-SG 3.49Å; C35-C41 WeakPolarHBondContact SG-CB 3.29Å; C35-C41 PolarHBondContact SG-N 3.31Å; C35-C41 VanDerWaalsContact SG-N 3.38Å; C35-C41 CovalentContact SG-SG 2.02Å; C35-C41 PolarHBondContact SG-SG 2.94Å; C41-S47 CarbonylContact C-O 3.53Å; C41-S47 WeakPolarHBondContact CA-O 3.32Å; C41-V48 HydrophobicContact CB-CG2 4.33Å
42	N	92.4	Very high	87.3	Confident	60 Å²	60	78.9 Å²	78.9	32%	0.321	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104.5	174.5	-168	3.2	0	0	0	109.3	P44 E45 R46 S47	N42-P44 WeakPolarHBondContact OD1-CD 3.44Å; N42-P44 WeakPolarHBondContact OD1-CG 2.97Å; N42-E45 HydrophobicContact CB-CB 4.38Å; N42-E45 WeakPolarHBondContact ND2-CG 2.99Å; N42-E45 PolarHBondContact ND2-OE2 3.19Å; N42-R46 WeakPolarHBondContact O-CA 3.47Å; N42-R46 PolarHBondContact O-N 3.32Å; N42-S47 VanDerWaalsContact CB-OG 3.31Å; N42-S47 WeakPolarHBondContact CB-OG 3.44Å; N42-S47 PolarHBondContact N-O 2.96Å; N42-S47 PolarHBondContact O-N 2.8Å
43	V	87.6	Confident	89.6	Confident	120 Å²	120	75.3 Å²	75.3	73%	0.727	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-47.9	-176.8	-175.5	0	0	0	0	113.5	E45 R46	V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 3.39Å; V43-R46 WeakPolarHBondContact O-CG 3.03Å; V43-R46 PolarHBondContact O-N 2.89Å; V43-R46 VanDerWaalsContact O-N 3.13Å
44	P	88.4	Confident	91.3	Very high	113 Å²	113	75.7 Å²	75.7	73%	0.734	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.2	-179.6	21.3	-33.9	0	0	0	113.7	N42 R46	N42-P44 WeakPolarHBondContact OD1-CD 3.44Å; N42-P44 WeakPolarHBondContact OD1-CG 2.97Å; P44-R46 VanDerWaalsContact C-N 3.33Å
45	E	89.6	Confident	92.5	Very high	126 Å²	126	74.8 Å²	74.8	59%	0.589	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.1	176.4	-69	179.7	174.6	0	0	113	N42 V43 S47	N42-E45 HydrophobicContact CB-CB 4.38Å; N42-E45 WeakPolarHBondContact ND2-CG 2.99Å; N42-E45 PolarHBondContact ND2-OE2 3.19Å; V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 3.39Å; E45-S47 PolarHBondContact O-N 3.49Å
46	R	94.3	Very high	93	Very high	104 Å²	104	76.3 Å²	76.3	39%	0.392	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	42.8	-171.8	-54.8	179.6	-179.3	-171.4	-2.6	111.1	N42 V43 P44 E65 R67 L68	N42-R46 WeakPolarHBondContact O-CA 3.47Å; N42-R46 PolarHBondContact O-N 3.32Å; V43-R46 WeakPolarHBondContact O-CG 3.03Å; V43-R46 PolarHBondContact O-N 2.89Å; V43-R46 VanDerWaalsContact O-N 3.13Å; P44-R46 VanDerWaalsContact C-N 3.33Å; R46-E65 WeakPolarHBondContact CD-O 3.12Å; R46-R67 HydrophobicContact CB-CB 4.28Å; R46-R67 HydrophobicContact CB-CG 4.21Å; R46-R67 PolarHBondContact O-N 2.87Å; R46-L68 PolarHBondContact O-N 3.38Å
47	S	95.8	Very high	93.2	Very high	5 Å²	5	80.4 Å²	80.4	4%	0.035	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142.2	-178.1	66.2	0	0	0	0	111.2	C41 N42 E45 L68	C41-S47 CarbonylContact C-O 3.53Å; C41-S47 WeakPolarHBondContact CA-O 3.32Å; N42-S47 VanDerWaalsContact CB-OG 3.31Å; N42-S47 WeakPolarHBondContact CB-OG 3.44Å; N42-S47 PolarHBondContact N-O 2.96Å; N42-S47 PolarHBondContact O-N 2.8Å; E45-S47 PolarHBondContact O-N 3.49Å; S47-L68 CarbonylContact C-O 3.26Å; S47-L68 VanDerWaalsContact CA-O 3.3Å; S47-L68 WeakPolarHBondContact CA-O 3.1Å
48	V	96.3	Very high	93.5	Very high	2 Å²	2	75.1 Å²	75.1	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.2	179	178.5	0	0	0	0	108.5	C39 C41 I62 T66 L68 L69 D70	C39-V48 HydrophobicContact CB-CG1 4.29Å; C41-V48 HydrophobicContact CB-CG2 4.33Å; V48-I62 HydrophobicContact CG2-CG2 4.27Å; V48-T66 HydrophobicContact CB-CG2 4.24Å; V48-T66 HydrophobicContact CG2-CG2 3.79Å; V48-L68 PolarHBondContact N-O 2.02Å; V48-L69 HydrophobicContact CB-CD1 3.87Å; V48-L69 HydrophobicContact CG1-CD1 3.86Å; V48-D70 PolarHBondContact O-N 2.81Å
49	M	96.9	Very high	93.6	Very high	66 Å²	66	68.8 Å²	68.8	33%	0.325	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.8	-176.2	-59.7	-62.7	-163.6	0	0	110.2	C39 E40 L68 D70	C39-M49 WeakPolarHBondContact CA-O 3.28Å; C39-M49 WeakPolarHBondContact CB-O 3.35Å; E40-M49 HydrophobicContact CB-CB 4.34Å; E40-M49 PolarHBondContact N-O 3.18Å; E40-M49 PolarHBondContact O-N 3.31Å; M49-L68 HydrophobicContact CE-CD2 3.89Å; M49-L68 HydrophobicContact SD-CD2 3.94Å; M49-D70 HydrophobicContact SD-CB 3.54Å; M49-D70 VanDerWaalsContact SD-CB 3.54Å
50	C	95.7	Very high	93.4	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.381	C	S	.	.			trans	-116	27.9	-180	-64.6	0	0	0	0	111.9	C39 K53 L55 D70 L71 N74	C39-C50 HydrophobicContact CB-CB 4.1Å; C39-C50 WeakPolarHBondContact CB-SG 3.01Å; C39-C50 WeakPolarHBondContact SG-CB 3.43Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 2.76Å; C50-K53 WeakPolarHBondContact O-CG 3.41Å; C50-L55 HydrophobicContact CB-CD1 3.85Å; C50-D70 WeakPolarHBondContact CA-O 3.38Å; C50-D70 VanDerWaalsContact CB-O 3.31Å; C50-D70 WeakPolarHBondContact CB-O 3.35Å; C50-D70 PolarHBondContact N-O 3.1Å; C50-L71 HydrophobicContact CB-CD2 3.64Å; C50-N74 PolarHBondContact O-ND2 2.79Å
51	H	94.6	Very high	93.1	Very high	64 Å²	64	73.3 Å²	73.3	30%	0.296	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	133.1	179.4	147.2	90.9	0	0	0	113.6	K53 S72	H51-K53 VanDerWaalsContact C-N 3.25Å; H51-K53 WeakPolarHBondContact O-CD 3.07Å; H51-K53 VanDerWaalsContact O-CE 3.28Å; H51-K53 WeakPolarHBondContact O-CE 3.26Å; H51-K53 WeakPolarHBondContact O-CG 3.36Å; H51-K53 PolarHBondContact O-N 3.46Å; H51-S72 WeakPolarHBondContact CA-O 3.06Å
52	R	94.9	Very high	93	Very high	162 Å²	162	72 Å²	72	61%	0.611	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	26	173.8	-71.2	-179.5	-174.4	152.4	-5.1	115.6	K54 S72 K73	R52-K54 VanDerWaalsContact C-N 3.34Å; R52-K54 PolarHBondContact O-N 3.26Å; R52-S72 PolarHBondContact N-O 2.03Å; R52-K73 WeakPolarHBondContact CA-O 3.31Å; R52-K73 HydrophobicContact CG-CB 3.62Å; R52-K73 HydrophobicContact CG-CD 3.93Å; R52-K73 HydrophobicContact CG-CG 4.36Å
53	K	95.4	Very high	93	Very high	59 Å²	59	70.5 Å²	70.5	26%	0.257	36%	0.361	S	S	.	.	S	Bend	trans	-91	6.5	-176.8	-52.6	-57.5	-179.4	163.3	0	114.2	R38 E40 C50 H51 L55 N74	R38-K53 HydrophobicContact CB-CB 4.29Å; R38-K53 HydrophobicContact CB-CG 4.47Å; R38-K53 WeakPolarHBondContact O-CD 3.03Å; R38-K53 WeakPolarHBondContact O-CE 3.37Å; R38-K53 VanDerWaalsContact O-CG 3.26Å; R38-K53 WeakPolarHBondContact O-CG 3.26Å; R38-K53 PolarHBondContact O-NZ 3.45Å; E40-K53 IonicContact OE1-NZ 2.89Å; E40-K53 PolarHBondContact OE1-NZ 2.88Å; C50-K53 WeakPolarHBondContact O-CG 3.41Å; H51-K53 VanDerWaalsContact C-N 3.25Å; H51-K53 WeakPolarHBondContact O-CD 3.07Å; H51-K53 VanDerWaalsContact O-CE 3.28Å; H51-K53 WeakPolarHBondContact O-CE 3.26Å; H51-K53 WeakPolarHBondContact O-CG 3.36Å; H51-K53 PolarHBondContact O-N 3.46Å; K53-L55 HydrophobicContact CB-CD1 4.27Å; K53-L55 HydrophobicContact CB-CD2 4.33Å; K53-L55 HydrophobicContact CB-CG 3.95Å; K53-L55 PolarHBondContact O-N 3.07Å; K53-N74 PolarHBondContact N-OD1 3.15Å; K53-N74 VanDerWaalsContact N-OD1 3.1Å
54	K	94.8	Very high	93.2	Very high	140 Å²	140	67.3 Å²	67.3	61%	0.609	35%	0.347	S	S	*	.			trans	56.1	34.1	-179.9	-56.4	175.7	-178.3	172.5	0	112.6	R52 N74	R52-K54 VanDerWaalsContact C-N 3.34Å; R52-K54 PolarHBondContact O-N 3.26Å; K54-N74 PolarHBondContact N-OD1 3.47Å
55	L	94.9	Very high	93.4	Very high	16 Å²	16	66.6 Å²	66.6	8%	0.084	33%	0.334	C	S	.	.			trans	-69.1	138.6	179.3	-58.2	171.7	0	0	0	110.2	C50 K53 P59 L71 N74 R75 I76	C50-L55 HydrophobicContact CB-CD1 3.85Å; K53-L55 HydrophobicContact CB-CD1 4.27Å; K53-L55 HydrophobicContact CB-CD2 4.33Å; K53-L55 HydrophobicContact CB-CG 3.95Å; K53-L55 PolarHBondContact O-N 3.07Å; L55-P59 HydrophobicContact CD1-CG 3.98Å; L55-L71 HydrophobicContact CD1-CD2 4.01Å; L55-N74 HydrophobicContact CB-CB 4.13Å; L55-N74 PolarHBondContact N-OD1 3.25Å; L55-R75 CarbonylContact O-C 3.22Å; L55-R75 VanDerWaalsContact O-CA 3.29Å; L55-R75 WeakPolarHBondContact O-CA 3.48Å; L55-R75 PolarHBondContact O-N 3.22Å; L55-I76 PolarHBondContact O-N 2.87Å
56	M	94.9	Very high	93.6	Very high	90 Å²	90	60.7 Å²	60.7	44%	0.443	31%	0.306	S	S	.	.	S	Bend	trans	-100	-20.5	177.9	-63.1	-65.5	-57.8	0	0	112.4	R75 I76	M56-R75 HydrophobicContact SD-CB 3.51Å; M56-R75 VanDerWaalsContact SD-CB 3.51Å; M56-R75 HydrophobicContact SD-CG 4.48Å; M56-I76 WeakPolarHBondContact O-CA 3.28Å
57	T	93.6	Very high	93.7	Very high	95 Å²	95	61.1 Å²	61.1	58%	0.583	31%	0.308	S	S	*	.	S	Bend	trans	-140.1	169.5	179.8	58.5	0	0	0	0	108.6
58	V	93.2	Very high	93.8	Very high	18 Å²	18	63.2 Å²	63.2	11%	0.109	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-64.5	129.9	170.5	-176.9	0	0	0	0	108.4	I62 L71 E83 F84	V58-I62 HydrophobicContact CG1-CD1 3.94Å; V58-L71 HydrophobicContact CG1-CD1 4.25Å; V58-L71 HydrophobicContact CG2-CD1 4.29Å; V58-E83 HydrophobicContact CB-CG 4.24Å; V58-E83 HydrophobicContact CG2-CG 3.68Å; V58-F84 HydrophobicContact CG1-CE1 4.1Å; V58-F84 HydrophobicContact CG2-CE1 3.88Å; V58-F84 HydrophobicContact CG2-CZ 3.75Å
59	P	91.8	Very high	93.8	Very high	23 Å²	23	63.1 Å²	63.1	15%	0.149	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-75.7	142.5	-176.6	29.7	-32.6	0	0	0	111.2	P36 L55 I62 L71	P36-P59 HydrophobicContact CB-CB 4.1Å; P36-P59 HydrophobicContact CB-CG 4.36Å; P36-P59 HydrophobicContact CG-CB 4.37Å; P36-P59 HydrophobicContact CG-CG 4.25Å; L55-P59 HydrophobicContact CD1-CG 3.98Å; P59-I62 HydrophobicContact CG-CD1 4.09Å; P59-I62 HydrophobicContact CG-CG1 4.39Å; P59-I62 WeakPolarHBondContact O-CD1 3.46Å; P59-L71 HydrophobicContact CG-CD2 4.21Å
60	E	89	Confident	93.9	Very high	185 Å²	185	61.4 Å²	61.4	86%	0.864	31%	0.31	S	S	*	.	S	Bend	trans	-71.4	157.5	171.5	-64.7	-174.8	178.1	0	0	111.6
61	G	87.8	Confident	93.9	Very high	48 Å²	48	61.4 Å²	61.4	50%	0.495	31%	0.31	S	S	.	.			trans	82	25.3	175.7	0	0	0	0	0	114.6	G34 P36	G34-G61 CarbonylContact C-O 3.56Å; P36-G61 WeakPolarHBondContact CD-O 3.31Å
62	I	91.9	Very high	94.1	Very high	17 Å²	17	59 Å²	59	9%	0.087	30%	0.3	C	S	.	.			trans	-77.3	136.9	167	-60.8	168.9	0	0	0	108.9	P36 V48 V58 P59 L69 F87	P36-I62 HydrophobicContact CG-CG1 3.71Å; V48-I62 HydrophobicContact CG2-CG2 4.27Å; V58-I62 HydrophobicContact CG1-CD1 3.94Å; P59-I62 HydrophobicContact CG-CD1 4.09Å; P59-I62 HydrophobicContact CG-CG1 4.39Å; P59-I62 WeakPolarHBondContact O-CD1 3.46Å; I62-L69 HydrophobicContact CD1-CD1 3.98Å; I62-L69 HydrophobicContact CD1-CD2 4.07Å; I62-L69 HydrophobicContact CG2-CD1 4.49Å; I62-F87 HydrophobicContact CB-CE1 3.63Å; I62-F87 HydrophobicContact CB-CZ 3.77Å; I62-F87 HydrophobicContact CD1-CZ 4.07Å; I62-F87 HydrophobicContact CG1-CZ 4.49Å; I62-F87 HydrophobicContact CG2-CD1 4.07Å; I62-F87 HydrophobicContact CG2-CE1 3.48Å; I62-F87 VanDerWaalsContact CG2-CE1 3.48Å; I62-F87 HydrophobicContact CG2-CZ 3.91Å
63	P	92.1	Very high	94.2	Very high	28 Å²	28	54.4 Å²	54.4	18%	0.182	29%	0.285	C	S	.	.			trans	-64.8	141.5	177.2	-14.1	26.8	0	0	0	112.5	G34 E65 T66	G34-P63 WeakPolarHBondContact O-CD 3.38Å; G34-P63 WeakPolarHBondContact O-CG 3.01Å; P63-E65 VanDerWaalsContact C-N 3.26Å; P63-E65 HydrophobicContact CB-CG 4.2Å; P63-E65 WeakPolarHBondContact CB-OE2 3.31Å; P63-E65 PolarHBondContact O-N 3.2Å; P63-T66 WeakPolarHBondContact CD-OG1 3.31Å; P63-T66 VanDerWaalsContact O-CB 3.3Å; P63-T66 WeakPolarHBondContact O-CB 3.36Å; P63-T66 PolarHBondContact O-N 3.46Å; P63-T66 PolarHBondContact O-OG1 3.36Å
64	A	91.1	Very high	94.3	Very high	52 Å²	52	52 Å²	52	43%	0.43	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.7	179.8	0	0	0	0	0	113.1	T66	A64-T66 PolarHBondContact O-N 2.87Å
65	E	91.8	Very high	94.4	Very high	98 Å²	98	51.7 Å²	51.7	46%	0.458	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	0.4	176.8	65.3	-90.3	-149.4	0	0	114.2	R46 P63 R67	R46-E65 WeakPolarHBondContact CD-O 3.12Å; P63-E65 VanDerWaalsContact C-N 3.26Å; P63-E65 HydrophobicContact CB-CG 4.2Å; P63-E65 WeakPolarHBondContact CB-OE2 3.31Å; P63-E65 PolarHBondContact O-N 3.2Å; E65-R67 PolarHBondContact O-N 2.99Å
66	T	94.9	Very high	94.5	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.266	C	S	.	.			trans	-57	131.7	-180	-59.2	0	0	0	0	111.3	V48 P63 A64 L68 L69 N89 L90	V48-T66 HydrophobicContact CB-CG2 4.24Å; V48-T66 HydrophobicContact CG2-CG2 3.79Å; P63-T66 WeakPolarHBondContact CD-OG1 3.31Å; P63-T66 VanDerWaalsContact O-CB 3.3Å; P63-T66 WeakPolarHBondContact O-CB 3.36Å; P63-T66 PolarHBondContact O-N 3.46Å; P63-T66 PolarHBondContact O-OG1 3.36Å; A64-T66 PolarHBondContact O-N 2.87Å; T66-L68 VanDerWaalsContact CG2-O 3.24Å; T66-L68 WeakPolarHBondContact CG2-O 3.39Å; T66-L69 HydrophobicContact CG2-CB 4.29Å; T66-N89 CarbonylContact O-C 3.53Å; T66-L90 HydrophobicContact CG2-CD1 3.98Å; T66-L90 PolarHBondContact O-N 3.05Å
67	R	96.5	Very high	94.5	Very high	113 Å²	113	54 Å²	54	43%	0.426	27%	0.273	S	S	.	.	S	Bend	trans	-104	-33.1	175.2	-71.6	-173.1	172.2	175	-3.6	112.9	R46 E65 E91 H92	R46-R67 HydrophobicContact CB-CB 4.28Å; R46-R67 HydrophobicContact CB-CG 4.21Å; R46-R67 PolarHBondContact O-N 2.87Å; E65-R67 PolarHBondContact O-N 2.99Å; R67-E91 IonicContact CZ-OE1 3.53Å; R67-E91 IonicContact NE-OE1 3.74Å; R67-E91 PolarHBondContact O-N 3.08Å; R67-H92 PolarHBondContact O-N 2.84Å
68	L	97.5	Very high	94.6	Very high	50 Å²	50	52.5 Å²	52.5	26%	0.262	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.6	178.8	-173.8	158	0	0	0	109.2	R46 S47 V48 M49 T66 D70 H92	R46-L68 PolarHBondContact O-N 3.38Å; S47-L68 CarbonylContact C-O 3.26Å; S47-L68 VanDerWaalsContact CA-O 3.3Å; S47-L68 WeakPolarHBondContact CA-O 3.1Å; V48-L68 PolarHBondContact N-O 2.02Å; M49-L68 HydrophobicContact CE-CD2 3.89Å; M49-L68 HydrophobicContact SD-CD2 3.94Å; T66-L68 VanDerWaalsContact CG2-O 3.24Å; T66-L68 WeakPolarHBondContact CG2-O 3.39Å; L68-D70 HydrophobicContact CD2-CB 4.27Å; L68-H92 WeakPolarHBondContact CA-O 3.38Å; L68-H92 HydrophobicContact CB-CB 4.41Å; L68-H92 HydrophobicContact CD1-CB 4.45Å; L68-H92 HydrophobicContact CG-CB 4.09Å
69	L	97.1	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.6	175.4	178.7	59	0	0	0	109.7	V48 I62 T66 L71 F84 L90 H92 L93 E94	V48-L69 HydrophobicContact CB-CD1 3.87Å; V48-L69 HydrophobicContact CG1-CD1 3.86Å; I62-L69 HydrophobicContact CD1-CD1 3.98Å; I62-L69 HydrophobicContact CD1-CD2 4.07Å; I62-L69 HydrophobicContact CG2-CD1 4.49Å; T66-L69 HydrophobicContact CG2-CB 4.29Å; L69-L71 HydrophobicContact CD1-CD1 4.37Å; L69-L71 HydrophobicContact CD1-CD2 4.48Å; L69-L71 HydrophobicContact CD1-CG 4.08Å; L69-L71 HydrophobicContact CD2-CD1 3.86Å; L69-L71 HydrophobicContact CD2-CG 4.43Å; L69-L71 HydrophobicContact CG-CD1 3.98Å; L69-L71 HydrophobicContact CG-CG 4.02Å; L69-F84 HydrophobicContact CD2-CD1 4.21Å; L69-F84 HydrophobicContact CD2-CE1 4Å; L69-L90 HydrophobicContact CB-CD1 3.72Å; L69-L90 HydrophobicContact CB-CD2 4.46Å; L69-H92 PolarHBondContact N-O 2.94Å; L69-L93 HydrophobicContact CB-CD1 4.16Å; L69-L93 HydrophobicContact CD2-CD1 4.01Å; L69-L93 HydrophobicContact CG-CD1 4.12Å; L69-E94 PolarHBondContact O-N 3.45Å
70	D	97.7	Very high	94.9	Very high	30 Å²	30	54 Å²	54	16%	0.16	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.2	175	-178.8	-6.9	0	0	0	110	V48 M49 C50 L68 S72 E94	V48-D70 PolarHBondContact O-N 2.81Å; M49-D70 HydrophobicContact SD-CB 3.54Å; M49-D70 VanDerWaalsContact SD-CB 3.54Å; C50-D70 WeakPolarHBondContact CA-O 3.38Å; C50-D70 VanDerWaalsContact CB-O 3.31Å; C50-D70 WeakPolarHBondContact CB-O 3.35Å; C50-D70 PolarHBondContact N-O 3.1Å; L68-D70 HydrophobicContact CD2-CB 4.27Å; D70-S72 WeakPolarHBondContact OD1-CA 3.49Å; D70-S72 WeakPolarHBondContact OD1-CB 3.06Å; D70-S72 PolarHBondContact OD1-N 2.91Å; D70-S72 PolarHBondContact OD1-OG 3.05Å; D70-S72 PolarHBondContact OD2-OG 2.78Å; D70-E94 HydrophobicContact CB-CB 4.44Å
71	L	97.1	Very high	95.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.			trans	-110.1	21.1	174	-70.6	165.6	0	0	0	111.4	C50 L55 V58 P59 L69 N74 I76 F84 E94 L95 N98	C50-L71 HydrophobicContact CB-CD2 3.64Å; L55-L71 HydrophobicContact CD1-CD2 4.01Å; V58-L71 HydrophobicContact CG1-CD1 4.25Å; V58-L71 HydrophobicContact CG2-CD1 4.29Å; P59-L71 HydrophobicContact CG-CD2 4.21Å; L69-L71 HydrophobicContact CD1-CD1 4.37Å; L69-L71 HydrophobicContact CD1-CD2 4.48Å; L69-L71 HydrophobicContact CD1-CG 4.08Å; L69-L71 HydrophobicContact CD2-CD1 3.86Å; L69-L71 HydrophobicContact CD2-CG 4.43Å; L69-L71 HydrophobicContact CG-CD1 3.98Å; L69-L71 HydrophobicContact CG-CG 4.02Å; L71-N74 PolarHBondContact O-ND2 2.89Å; L71-I76 HydrophobicContact CB-CD1 4.22Å; L71-I76 HydrophobicContact CD1-CD1 4.43Å; L71-F84 HydrophobicContact CD1-CE1 4.07Å; L71-F84 HydrophobicContact CD1-CZ 4.4Å; L71-E94 CarbonylContact C-O 3.56Å; L71-E94 WeakPolarHBondContact CA-O 3.32Å; L71-E94 PolarHBondContact N-O 3.1Å; L71-L95 HydrophobicContact CB-CD2 3.88Å; L71-L95 HydrophobicContact CD1-CD2 3.96Å; L71-N98 PolarHBondContact O-ND2 2.84Å
72	S	97.6	Very high	95.6	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.084	24%	0.243	C	C	.	.			trans	-63.6	157.6	-177.7	67.2	0	0	0	0	113.5	H51 R52 D70 N74 S96	H51-S72 WeakPolarHBondContact CA-O 3.06Å; R52-S72 PolarHBondContact N-O 2.03Å; D70-S72 WeakPolarHBondContact OD1-CA 3.49Å; D70-S72 WeakPolarHBondContact OD1-CB 3.06Å; D70-S72 PolarHBondContact OD1-N 2.91Å; D70-S72 PolarHBondContact OD1-OG 3.05Å; D70-S72 PolarHBondContact OD2-OG 2.78Å; S72-N74 VanDerWaalsContact C-N 3.26Å; S72-N74 PolarHBondContact O-N 3.5Å; S72-N74 PolarHBondContact O-ND2 2.64Å; S72-N74 VanDerWaalsContact O-ND2 3.15Å; S72-S96 CarbonylContact C-O 2.99Å; S72-S96 WeakPolarHBondContact CA-O 3.46Å; S72-S96 WeakPolarHBondContact CB-O 3.42Å
73	K	97.5	Very high	95.7	Very high	67 Å²	67	51.5 Å²	51.5	29%	0.291	25%	0.252	S	S	.	.	S	Bend	trans	58.7	36.7	174	-63.8	172.7	175.1	157.1	0	113	R52 S96 E97	R52-K73 WeakPolarHBondContact CA-O 3.31Å; R52-K73 HydrophobicContact CG-CB 3.62Å; R52-K73 HydrophobicContact CG-CD 3.93Å; R52-K73 HydrophobicContact CG-CG 4.36Å; K73-S96 PolarHBondContact N-O 3.16Å; K73-E97 VanDerWaalsContact CA-O 3.24Å; K73-E97 WeakPolarHBondContact CA-O 3.45Å; K73-E97 WeakPolarHBondContact CE-OE1 3.24Å; K73-E97 WeakPolarHBondContact CE-OE2 3.44Å; K73-E97 HydrophobicContact CG-CB 3.77Å; K73-E97 HydrophobicContact CG-CG 4.34Å; K73-E97 WeakPolarHBondContact CG-OE2 3.14Å; K73-E97 PolarHBondContact N-O 3.36Å; K73-E97 IonicContact NZ-OE1 3.45Å; K73-E97 PolarHBondContact NZ-OE1 3.45Å
74	N	97.5	Very high	95.8	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.043	24%	0.244	C	C	.	.	S	Bend	trans	-109.5	-161	175.8	-77.4	-62.4	0	0	0	110.8	C50 K53 K54 L55 L71 S72 I76 N98	C50-N74 PolarHBondContact O-ND2 2.79Å; K53-N74 PolarHBondContact N-OD1 3.15Å; K53-N74 VanDerWaalsContact N-OD1 3.1Å; K54-N74 PolarHBondContact N-OD1 3.47Å; L55-N74 HydrophobicContact CB-CB 4.13Å; L55-N74 PolarHBondContact N-OD1 3.25Å; L71-N74 PolarHBondContact O-ND2 2.89Å; S72-N74 VanDerWaalsContact C-N 3.26Å; S72-N74 PolarHBondContact O-N 3.5Å; S72-N74 PolarHBondContact O-ND2 2.64Å; S72-N74 VanDerWaalsContact O-ND2 3.15Å; N74-I76 HydrophobicContact CB-CG1 4.36Å; N74-N98 VanDerWaalsContact CA-OD1 3.26Å; N74-N98 WeakPolarHBondContact CA-OD1 3.3Å; N74-N98 WeakPolarHBondContact CB-OD1 2.96Å; N74-N98 PolarHBondContact N-OD1 2.61Å; N74-N98 PolarHBondContact O-OD1 2.77Å
75	R	97.1	Very high	95.9	Very high	134 Å²	134	48.3 Å²	48.3	51%	0.506	23%	0.228	S	C	.	.			trans	-129.7	30.7	-177.2	-61.9	179.4	178.9	-175.9	-4	110.8	L55 M56 N98 T99	L55-R75 CarbonylContact O-C 3.22Å; L55-R75 VanDerWaalsContact O-CA 3.29Å; L55-R75 WeakPolarHBondContact O-CA 3.48Å; L55-R75 PolarHBondContact O-N 3.22Å; M56-R75 HydrophobicContact SD-CB 3.51Å; M56-R75 VanDerWaalsContact SD-CB 3.51Å; M56-R75 HydrophobicContact SD-CG 4.48Å; R75-N98 PolarHBondContact N-OD1 3.42Å; R75-T99 VanDerWaalsContact C-OG1 3.32Å; R75-T99 PolarHBondContact O-OG1 2.99Å
76	I	96.9	Very high	95.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.24	C	C	.	.			trans	-64.7	136	176.4	-57.5	173	0	0	0	107.9	L55 M56 L71 N74 L95 N98 T99 I100	L55-I76 PolarHBondContact O-N 2.87Å; M56-I76 WeakPolarHBondContact O-CA 3.28Å; L71-I76 HydrophobicContact CB-CD1 4.22Å; L71-I76 HydrophobicContact CD1-CD1 4.43Å; N74-I76 HydrophobicContact CB-CG1 4.36Å; I76-L95 HydrophobicContact CD1-CD2 4.32Å; I76-N98 HydrophobicContact CB-CB 4.49Å; I76-N98 WeakPolarHBondContact CB-OD1 3.33Å; I76-N98 PolarHBondContact N-OD1 3.26Å; I76-N98 VanDerWaalsContact N-OD1 3.07Å; I76-T99 CarbonylContact O-C 3.14Å; I76-T99 VanDerWaalsContact O-CA 3.28Å; I76-T99 WeakPolarHBondContact O-CA 3.44Å; I76-T99 PolarHBondContact O-N 3.44Å; I76-T99 PolarHBondContact O-OG1 3Å; I76-I100 HydrophobicContact CB-CG1 4.31Å; I76-I100 HydrophobicContact CG2-CG1 4.16Å; I76-I100 PolarHBondContact O-N 3.33Å; I76-I100 VanDerWaalsContact O-N 3.08Å
77	R	95.7	Very high	95.8	Very high	154 Å²	154	50.6 Å²	50.6	58%	0.581	24%	0.243	S	C	*	.			trans	-111.4	-35.8	-174.5	-69.4	-175.8	179.4	-175.6	0.1	113.9	I100 S101	R77-I100 CarbonylContact O-C 3.14Å; R77-I100 VanDerWaalsContact O-CA 3.31Å; R77-I100 WeakPolarHBondContact O-CA 3.4Å; R77-S101 PolarHBondContact O-N 3.44Å; R77-S101 PolarHBondContact O-OG 3.45Å
78	T	95.4	Very high	95.6	Very high	63 Å²	63	51.1 Å²	51.1	39%	0.387	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.9	-176.5	60.1	0	0	0	0	109	T102	T78-T102 WeakPolarHBondContact CA-O 3.4Å; T78-T102 VanDerWaalsContact CG2-OG1 3.31Å; T78-T102 WeakPolarHBondContact CG2-OG1 3.14Å
79	I	96.3	Very high	95.4	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.6	169.1	-53.2	-179.4	0	0	0	106.7	E83 F84 L95 I100 T102 I103 E104 A107 F108	I79-E83 HydrophobicContact CG2-CB 4.07Å; I79-E83 HydrophobicContact CG2-CG 4.35Å; I79-F84 HydrophobicContact CD1-CE2 4.41Å; I79-F84 HydrophobicContact CG2-CD2 4.28Å; I79-F84 HydrophobicContact CG2-CE2 3.66Å; I79-L95 HydrophobicContact CD1-CD1 3.65Å; I79-I100 HydrophobicContact CD1-CD1 3.99Å; I79-I100 HydrophobicContact CG1-CD1 4.38Å; I79-I100 HydrophobicContact CG1-CG2 4.31Å; I79-T102 PolarHBondContact N-O 2.82Å; I79-I103 HydrophobicContact CB-CG2 4.35Å; I79-I103 HydrophobicContact CD1-CG1 4.26Å; I79-E104 PolarHBondContact O-N 2.89Å; I79-E104 VanDerWaalsContact O-N 3.1Å; I79-A107 HydrophobicContact CB-CB 4.31Å; I79-A107 HydrophobicContact CG2-CB 3.67Å; I79-F108 HydrophobicContact CD1-CE1 4.31Å; I79-F108 HydrophobicContact CD1-CZ 4.15Å
80	N	94.9	Very high	95.4	Very high	69 Å²	69	52.8 Å²	52.8	37%	0.369	26%	0.259	S	S	.	.			trans	-86.3	166.8	-175.8	-48.1	-53.3	0	0	0	110.4	E83 A107	N80-E83 WeakPolarHBondContact CB-OE2 3.42Å; N80-E83 PolarHBondContact ND2-OE2 3.47Å; N80-E83 WeakPolarHBondContact O-CB 3.39Å; N80-E83 PolarHBondContact O-N 3.48Å; N80-A107 VanDerWaalsContact O-CA 3.31Å; N80-A107 WeakPolarHBondContact O-CA 2.84Å
81	P	95.9	Very high	95.4	Very high	57 Å²	57	54.7 Å²	54.7	37%	0.37	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	141	174.3	-22.8	35.4	0	0	0	111.2	E83 E104	P81-E83 PolarHBondContact O-N 3.37Å; P81-E104 WeakPolarHBondContact CD-OE2 3.43Å; P81-E104 HydrophobicContact CG-CB 3.95Å; P81-E104 WeakPolarHBondContact CG-OE2 3.01Å
82	D	94.4	Very high	95.5	Very high	84 Å²	84	57.3 Å²	57.3	45%	0.449	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	13.5	177.6	-53.6	-47	0	0	0	115.8	F84 A85 G106 N109	D82-F84 PolarHBondContact O-N 2.85Å; D82-A85 HydrophobicContact CB-CB 3.83Å; D82-A85 VanDerWaalsContact O-CB 3.28Å; D82-A85 WeakPolarHBondContact O-CB 3.24Å; D82-A85 PolarHBondContact O-N 3.04Å; D82-G106 PolarHBondContact N-O 2.97Å; D82-N109 WeakPolarHBondContact OD1-CB 3.47Å; D82-N109 PolarHBondContact OD1-ND2 3.01Å
83	E	94.4	Very high	95.5	Very high	58 Å²	58	56.8 Å²	56.8	27%	0.271	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32	-178.7	-169.3	85.1	-159.1	0	0	112.5	V58 I79 N80 P81	V58-E83 HydrophobicContact CB-CG 4.24Å; V58-E83 HydrophobicContact CG2-CG 3.68Å; I79-E83 HydrophobicContact CG2-CB 4.07Å; I79-E83 HydrophobicContact CG2-CG 4.35Å; N80-E83 WeakPolarHBondContact CB-OE2 3.42Å; N80-E83 PolarHBondContact ND2-OE2 3.47Å; N80-E83 WeakPolarHBondContact O-CB 3.39Å; N80-E83 PolarHBondContact O-N 3.48Å; P81-E83 PolarHBondContact O-N 3.37Å
84	F	95.4	Very high	95.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	8.7	179.6	-59.3	-76	0	0	0	114.1	V58 L69 L71 I79 D82 N86 F87 L93 L95 F108 L111	V58-F84 HydrophobicContact CG1-CE1 4.1Å; V58-F84 HydrophobicContact CG2-CE1 3.88Å; V58-F84 HydrophobicContact CG2-CZ 3.75Å; L69-F84 HydrophobicContact CD2-CD1 4.21Å; L69-F84 HydrophobicContact CD2-CE1 4Å; L71-F84 HydrophobicContact CD1-CE1 4.07Å; L71-F84 HydrophobicContact CD1-CZ 4.4Å; I79-F84 HydrophobicContact CD1-CE2 4.41Å; I79-F84 HydrophobicContact CG2-CD2 4.28Å; I79-F84 HydrophobicContact CG2-CE2 3.66Å; D82-F84 PolarHBondContact O-N 2.85Å; F84-N86 PolarHBondContact O-N 3.03Å; F84-F87 HydrophobicContact CB-CD2 3.95Å; F84-F87 AromaticContact CD1-CD2 3.93Å; F84-F87 HydrophobicContact CD1-CD2 3.93Å; F84-F87 AromaticContact CD1-CE2 4Å; F84-F87 HydrophobicContact CD1-CE2 4Å; F84-F87 HydrophobicContact CG-CD2 4.45Å; F84-F87 WeakPolarHBondContact O-CD2 3.32Å; F84-F87 PolarHBondContact O-N 2.97Å; F84-L93 HydrophobicContact CD1-CD2 4.43Å; F84-L93 HydrophobicContact CD2-CD2 4.18Å; F84-L93 HydrophobicContact CE1-CD1 4.05Å; F84-L93 HydrophobicContact CE1-CD2 4.33Å; F84-L93 HydrophobicContact CE2-CD2 4.06Å; F84-L93 HydrophobicContact CG-CD2 4.36Å; F84-L93 HydrophobicContact CZ-CD1 4.29Å; F84-L93 HydrophobicContact CZ-CD2 4.15Å; F84-L95 HydrophobicContact CE2-CD1 4.42Å; F84-L95 HydrophobicContact CZ-CD1 4.27Å; F84-L95 HydrophobicContact CZ-CD2 4.28Å; F84-F108 HydrophobicContact CD2-CD1 4.07Å; F84-F108 HydrophobicContact CD2-CE1 4.24Å; F84-F108 HydrophobicContact CE2-CD1 4.39Å; F84-F108 HydrophobicContact CE2-CE1 4.1Å; F84-L111 HydrophobicContact CB-CD1 3.81Å; F84-L111 HydrophobicContact CB-CD2 4.09Å; F84-L111 HydrophobicContact CB-CG 4.24Å; F84-L111 HydrophobicContact CG-CD1 4.45Å; F84-L111 WeakPolarHBondContact O-CD2 3.47Å
85	A	92.9	Very high	95.5	Very high	13 Å²	13	55.2 Å²	55.2	11%	0.107	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.8	-169.8	0	0	0	0	0	114.4	D82 F87 N110	D82-A85 HydrophobicContact CB-CB 3.83Å; D82-A85 VanDerWaalsContact O-CB 3.28Å; D82-A85 WeakPolarHBondContact O-CB 3.24Å; D82-A85 PolarHBondContact O-N 3.04Å; A85-F87 VanDerWaalsContact C-N 3.31Å; A85-N110 HydrophobicContact CB-CB 4.44Å
86	N	90.2	Very high	95.6	Very high	130 Å²	130	49.3 Å²	49.3	70%	0.695	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.5	178.1	-67.8	-22.3	0	0	0	113.5	F84 Q88	F84-N86 PolarHBondContact O-N 3.03Å; N86-Q88 PolarHBondContact O-N 3.28Å
87	F	92.8	Very high	95.6	Very high	18 Å²	18	53.8 Å²	53.8	8%	0.079	27%	0.269	C	S	.	.			trans	-103.1	58.1	-174.3	-44.7	-62.1	0	0	0	111.9	I62 F84 A85 N89 L90 L111	I62-F87 HydrophobicContact CB-CE1 3.63Å; I62-F87 HydrophobicContact CB-CZ 3.77Å; I62-F87 HydrophobicContact CD1-CZ 4.07Å; I62-F87 HydrophobicContact CG1-CZ 4.49Å; I62-F87 HydrophobicContact CG2-CD1 4.07Å; I62-F87 HydrophobicContact CG2-CE1 3.48Å; I62-F87 VanDerWaalsContact CG2-CE1 3.48Å; I62-F87 HydrophobicContact CG2-CZ 3.91Å; F84-F87 HydrophobicContact CB-CD2 3.95Å; F84-F87 AromaticContact CD1-CD2 3.93Å; F84-F87 HydrophobicContact CD1-CD2 3.93Å; F84-F87 AromaticContact CD1-CE2 4Å; F84-F87 HydrophobicContact CD1-CE2 4Å; F84-F87 HydrophobicContact CG-CD2 4.45Å; F84-F87 WeakPolarHBondContact O-CD2 3.32Å; F84-F87 PolarHBondContact O-N 2.97Å; A85-F87 VanDerWaalsContact C-N 3.31Å; F87-N89 PolarHBondContact O-N 2.98Å; F87-N89 VanDerWaalsContact O-N 3.08Å; F87-L90 HydrophobicContact CB-CB 4.16Å; F87-L90 WeakPolarHBondContact O-CB 3.08Å; F87-L90 PolarHBondContact O-N 3.05Å; F87-L111 HydrophobicContact CB-CD2 4.47Å; F87-L111 VanDerWaalsContact O-CD2 3.28Å; F87-L111 WeakPolarHBondContact O-CD2 3.28Å
88	Q	92.6	Very high	95.7	Very high	124 Å²	124	46.8 Å²	46.8	58%	0.579	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.9	-173.4	-61.9	176.6	9.7	0	0	114.3	N86 L90	N86-Q88 PolarHBondContact O-N 3.28Å; Q88-L90 VanDerWaalsContact C-N 3.35Å
89	N	94.2	Very high	95.8	Very high	84 Å²	84	46.2 Å²	46.2	45%	0.449	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	5	178.8	-64.6	-53.9	0	0	0	113.4	T66 F87 E91	T66-N89 CarbonylContact O-C 3.53Å; F87-N89 PolarHBondContact O-N 2.98Å; F87-N89 VanDerWaalsContact O-N 3.08Å; N89-E91 PolarHBondContact O-N 3.36Å
90	L	96.8	Very high	95.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.			trans	-68.2	125.4	-176.1	-158.6	71.9	0	0	0	110.4	T66 L69 F87 Q88 L93 L111 G113 L114	T66-L90 HydrophobicContact CG2-CD1 3.98Å; T66-L90 PolarHBondContact O-N 3.05Å; L69-L90 HydrophobicContact CB-CD1 3.72Å; L69-L90 HydrophobicContact CB-CD2 4.46Å; F87-L90 HydrophobicContact CB-CB 4.16Å; F87-L90 WeakPolarHBondContact O-CB 3.08Å; F87-L90 PolarHBondContact O-N 3.05Å; Q88-L90 VanDerWaalsContact C-N 3.35Å; L90-L93 HydrophobicContact CD2-CB 3.85Å; L90-L93 HydrophobicContact CD2-CD1 4.16Å; L90-L93 HydrophobicContact CD2-CD2 4.24Å; L90-L93 HydrophobicContact CD2-CG 4.3Å; L90-L111 HydrophobicContact CB-CD2 4.2Å; L90-L111 HydrophobicContact CD2-CD1 4.43Å; L90-L111 HydrophobicContact CD2-CD2 4.43Å; L90-G113 CarbonylContact O-C 3.58Å; L90-G113 VanDerWaalsContact O-C 3.26Å; L90-L114 HydrophobicContact CB-CD1 4.29Å; L90-L114 HydrophobicContact CD2-CD1 4.05Å; L90-L114 HydrophobicContact CG-CD1 4.02Å; L90-L114 VanDerWaalsContact O-CA 3.29Å; L90-L114 WeakPolarHBondContact O-CA 3.12Å; L90-L114 PolarHBondContact O-N 3.44Å
91	E	97.6	Very high	95.9	Very high	70 Å²	70	45.3 Å²	45.3	33%	0.327	24%	0.239	S	C	.	.			trans	-108.5	-32	178.9	-63.9	-175.6	-149.4	0	0	111.1	R67 N89 R115 T116	R67-E91 IonicContact CZ-OE1 3.53Å; R67-E91 IonicContact NE-OE1 3.74Å; R67-E91 PolarHBondContact O-N 3.08Å; N89-E91 PolarHBondContact O-N 3.36Å; E91-R115 WeakPolarHBondContact O-CA 3.39Å; E91-R115 WeakPolarHBondContact O-CB 3.35Å; E91-R115 PolarHBondContact O-N 2.82Å; E91-R115 IonicContact OE2-NE 2.65Å; E91-T116 PolarHBondContact O-N 2.84Å
92	H	98.3	Very high	95.9	Very high	56 Å²	56	45.9 Å²	45.9	26%	0.259	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.5	-179.1	-175.5	90.8	0	0	0	110.7	R67 L68 L69 T116	R67-H92 PolarHBondContact O-N 2.84Å; L68-H92 WeakPolarHBondContact CA-O 3.38Å; L68-H92 HydrophobicContact CB-CB 4.41Å; L68-H92 HydrophobicContact CD1-CB 4.45Å; L68-H92 HydrophobicContact CG-CB 4.09Å; L69-H92 PolarHBondContact N-O 2.94Å; H92-T116 VanDerWaalsContact ND1-CB 3.32Å; H92-T116 WeakPolarHBondContact ND1-CB 3.28Å; H92-T116 WeakPolarHBondContact ND1-CG2 3.31Å
93	L	98.1	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.2	176.1	178.2	55.7	0	0	0	109.7	L69 F84 L90 L95 F108 L111 L114 T116 L117 G118	L69-L93 HydrophobicContact CB-CD1 4.16Å; L69-L93 HydrophobicContact CD2-CD1 4.01Å; L69-L93 HydrophobicContact CG-CD1 4.12Å; F84-L93 HydrophobicContact CD1-CD2 4.43Å; F84-L93 HydrophobicContact CD2-CD2 4.18Å; F84-L93 HydrophobicContact CE1-CD1 4.05Å; F84-L93 HydrophobicContact CE1-CD2 4.33Å; F84-L93 HydrophobicContact CE2-CD2 4.06Å; F84-L93 HydrophobicContact CG-CD2 4.36Å; F84-L93 HydrophobicContact CZ-CD1 4.29Å; F84-L93 HydrophobicContact CZ-CD2 4.15Å; L90-L93 HydrophobicContact CD2-CB 3.85Å; L90-L93 HydrophobicContact CD2-CD1 4.16Å; L90-L93 HydrophobicContact CD2-CD2 4.24Å; L90-L93 HydrophobicContact CD2-CG 4.3Å; L93-L95 HydrophobicContact CD1-CD1 4.23Å; L93-L95 HydrophobicContact CD1-CG 4.1Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CG-CD1 3.88Å; L93-L95 HydrophobicContact CG-CG 4.12Å; L93-F108 HydrophobicContact CD2-CD1 4.15Å; L93-F108 HydrophobicContact CD2-CE1 3.95Å; L93-L111 HydrophobicContact CD2-CD1 4.36Å; L93-L114 HydrophobicContact CB-CD1 3.82Å; L93-L114 HydrophobicContact CB-CD2 4.45Å; L93-T116 PolarHBondContact N-O 3.19Å; L93-L117 HydrophobicContact CB-CD1 4.13Å; L93-L117 HydrophobicContact CD2-CD1 3.94Å; L93-L117 HydrophobicContact CG-CD1 4.01Å; L93-L117 WeakPolarHBondContact O-CA 3.4Å; L93-G118 PolarHBondContact O-N 3.28Å
94	E	98.2	Very high	96	Very high	42 Å²	42	44.2 Å²	44.2	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.1	-179.9	-177.9	56.4	-89.8	0	0	110.6	L69 D70 L71 S96 G118	L69-E94 PolarHBondContact O-N 3.45Å; D70-E94 HydrophobicContact CB-CB 4.44Å; L71-E94 CarbonylContact C-O 3.56Å; L71-E94 WeakPolarHBondContact CA-O 3.32Å; L71-E94 PolarHBondContact N-O 3.1Å; E94-S96 WeakPolarHBondContact OE1-CA 3.04Å; E94-S96 WeakPolarHBondContact OE1-CB 3.12Å; E94-S96 PolarHBondContact OE1-N 3.02Å; E94-S96 PolarHBondContact OE1-OG 2.83Å; E94-G118 WeakPolarHBondContact OE1-CA 3.28Å
95	L	97.8	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.			trans	-123.8	13.8	-178.4	-70.2	161.1	0	0	0	111.6	L71 I76 I79 F84 L93 N98 I100 F108 L117 G118 L119 N122	L71-L95 HydrophobicContact CB-CD2 3.88Å; L71-L95 HydrophobicContact CD1-CD2 3.96Å; I76-L95 HydrophobicContact CD1-CD2 4.32Å; I79-L95 HydrophobicContact CD1-CD1 3.65Å; F84-L95 HydrophobicContact CE2-CD1 4.42Å; F84-L95 HydrophobicContact CZ-CD1 4.27Å; F84-L95 HydrophobicContact CZ-CD2 4.28Å; L93-L95 HydrophobicContact CD1-CD1 4.23Å; L93-L95 HydrophobicContact CD1-CG 4.1Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CG-CD1 3.88Å; L93-L95 HydrophobicContact CG-CG 4.12Å; L95-N98 PolarHBondContact O-ND2 2.81Å; L95-I100 HydrophobicContact CB-CD1 4.03Å; L95-I100 HydrophobicContact CD2-CD1 4.46Å; L95-F108 HydrophobicContact CD1-CE1 4.28Å; L95-L117 HydrophobicContact CD1-CD1 4.38Å; L95-G118 CarbonylContact C-O 3.6Å; L95-G118 WeakPolarHBondContact CA-O 3.16Å; L95-G118 WeakPolarHBondContact CB-O 3.31Å; L95-G118 PolarHBondContact N-O 3.3Å; L95-L119 HydrophobicContact CB-CD2 4Å; L95-L119 HydrophobicContact CD1-CD2 4.07Å; L95-N122 PolarHBondContact O-ND2 2.87Å
96	S	97.9	Very high	96	Very high	11 Å²	11	46.7 Å²	46.7	8%	0.077	25%	0.248	C	C	.	.			trans	-65.9	156.3	-177.8	-61.3	0	0	0	0	113.6	S72 K73 E94 N98 R120	S72-S96 CarbonylContact C-O 2.99Å; S72-S96 WeakPolarHBondContact CA-O 3.46Å; S72-S96 WeakPolarHBondContact CB-O 3.42Å; K73-S96 PolarHBondContact N-O 3.16Å; E94-S96 WeakPolarHBondContact OE1-CA 3.04Å; E94-S96 WeakPolarHBondContact OE1-CB 3.12Å; E94-S96 PolarHBondContact OE1-N 3.02Å; E94-S96 PolarHBondContact OE1-OG 2.83Å; S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 2.88Å; S96-N98 PolarHBondContact O-ND2 3.13Å; S96-R120 CarbonylContact C-O 3.6Å; S96-R120 WeakPolarHBondContact CA-O 3.33Å; S96-R120 WeakPolarHBondContact CB-O 3.18Å; S96-R120 WeakPolarHBondContact OG-CB 3.43Å; S96-R120 PolarHBondContact OG-N 2.78Å; S96-R120 VanDerWaalsContact OG-N 3.13Å
97	E	97.6	Very high	96.3	Very high	95 Å²	95	40.5 Å²	40.5	44%	0.444	22%	0.215	S	C	.	.	S	Bend	trans	56.2	39.8	-179.3	-60.3	-179	-123	0	0	112.9	K73 R120 S121	K73-E97 VanDerWaalsContact CA-O 3.24Å; K73-E97 WeakPolarHBondContact CA-O 3.45Å; K73-E97 WeakPolarHBondContact CE-OE1 3.24Å; K73-E97 WeakPolarHBondContact CE-OE2 3.44Å; K73-E97 HydrophobicContact CG-CB 3.77Å; K73-E97 HydrophobicContact CG-CG 4.34Å; K73-E97 WeakPolarHBondContact CG-OE2 3.14Å; K73-E97 PolarHBondContact N-O 3.36Å; K73-E97 IonicContact NZ-OE1 3.45Å; K73-E97 PolarHBondContact NZ-OE1 3.45Å; E97-R120 PolarHBondContact N-O 3.4Å; E97-S121 WeakPolarHBondContact CA-O 3.46Å
98	N	97.9	Very high	96.5	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.211	C	C	.	.	S	Bend	trans	-103.7	-166.3	170.9	-88.1	-79.7	0	0	0	111	L71 N74 R75 I76 L95 S96 I100 N122	L71-N98 PolarHBondContact O-ND2 2.84Å; N74-N98 VanDerWaalsContact CA-OD1 3.26Å; N74-N98 WeakPolarHBondContact CA-OD1 3.3Å; N74-N98 WeakPolarHBondContact CB-OD1 2.96Å; N74-N98 PolarHBondContact N-OD1 2.61Å; N74-N98 PolarHBondContact O-OD1 2.77Å; R75-N98 PolarHBondContact N-OD1 3.42Å; I76-N98 HydrophobicContact CB-CB 4.49Å; I76-N98 WeakPolarHBondContact CB-OD1 3.33Å; I76-N98 PolarHBondContact N-OD1 3.26Å; I76-N98 VanDerWaalsContact N-OD1 3.07Å; L95-N98 PolarHBondContact O-ND2 2.81Å; S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 2.88Å; S96-N98 PolarHBondContact O-ND2 3.13Å; N98-I100 HydrophobicContact CB-CD1 4Å; N98-I100 HydrophobicContact CB-CG1 3.95Å; N98-N122 VanDerWaalsContact CA-OD1 3.32Å; N98-N122 WeakPolarHBondContact CA-OD1 3.49Å; N98-N122 WeakPolarHBondContact CB-OD1 3.3Å; N98-N122 PolarHBondContact N-OD1 3.29Å; N98-N122 PolarHBondContact O-OD1 3.28Å
99	T	97.3	Very high	96.5	Very high	51 Å²	51	36.4 Å²	36.4	31%	0.313	20%	0.197	S	C	.	.			trans	-116.4	30	175.2	55	0	0	0	0	111.8	R75 I76 S101 N122	R75-T99 VanDerWaalsContact C-OG1 3.32Å; R75-T99 PolarHBondContact O-OG1 2.99Å; I76-T99 CarbonylContact O-C 3.14Å; I76-T99 VanDerWaalsContact O-CA 3.28Å; I76-T99 WeakPolarHBondContact O-CA 3.44Å; I76-T99 PolarHBondContact O-N 3.44Å; I76-T99 PolarHBondContact O-OG1 3Å; T99-S101 PolarHBondContact O-N 2.92Å; T99-N122 PolarHBondContact N-OD1 2.93Å
100	I	97.6	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.			trans	-67.9	117.5	-172.4	-59	159.4	0	0	0	109	I76 R77 I79 L95 N98 I103 L119 N122 K123 L124	I76-I100 HydrophobicContact CB-CG1 4.31Å; I76-I100 HydrophobicContact CG2-CG1 4.16Å; I76-I100 PolarHBondContact O-N 3.33Å; I76-I100 VanDerWaalsContact O-N 3.08Å; R77-I100 CarbonylContact O-C 3.14Å; R77-I100 VanDerWaalsContact O-CA 3.31Å; R77-I100 WeakPolarHBondContact O-CA 3.4Å; I79-I100 HydrophobicContact CD1-CD1 3.99Å; I79-I100 HydrophobicContact CG1-CD1 4.38Å; I79-I100 HydrophobicContact CG1-CG2 4.31Å; L95-I100 HydrophobicContact CB-CD1 4.03Å; L95-I100 HydrophobicContact CD2-CD1 4.46Å; N98-I100 HydrophobicContact CB-CD1 4Å; N98-I100 HydrophobicContact CB-CG1 3.95Å; I100-I103 HydrophobicContact CG2-CG1 3.91Å; I100-L119 HydrophobicContact CD1-CD2 4.39Å; I100-N122 HydrophobicContact CB-CB 4.28Å; I100-N122 WeakPolarHBondContact CB-OD1 3.07Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.49Å; I100-N122 PolarHBondContact N-OD1 3.35Å; I100-K123 CarbonylContact O-C 3.57Å; I100-K123 VanDerWaalsContact O-CA 3.28Å; I100-K123 WeakPolarHBondContact O-CA 3.4Å; I100-K123 PolarHBondContact O-N 3.19Å; I100-L124 HydrophobicContact CG2-CD2 3.84Å; I100-L124 PolarHBondContact O-N 2.81Å
101	S	95.8	Very high	96.4	Very high	52 Å²	52	35.1 Å²	35.1	36%	0.364	19%	0.191	S	C	.	.			trans	-102.5	-27.1	178.5	52.8	0	0	0	0	113.4	R77 T99	R77-S101 PolarHBondContact O-N 3.44Å; R77-S101 PolarHBondContact O-OG 3.45Å; T99-S101 PolarHBondContact O-N 2.92Å
102	T	95.2	Very high	96.1	Very high	69 Å²	69	37.9 Å²	37.9	42%	0.423	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.7	-176.8	53.6	0	0	0	0	110.5	T78 I79	T78-T102 WeakPolarHBondContact CA-O 3.4Å; T78-T102 VanDerWaalsContact CG2-OG1 3.31Å; T78-T102 WeakPolarHBondContact CG2-OG1 3.14Å; I79-T102 PolarHBondContact N-O 2.82Å
103	I	96.6	Very high	95.9	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.7	170.5	-57.8	170.9	0	0	0	105.5	I79 I100 A107 F108 L119 L124 V131	I79-I103 HydrophobicContact CB-CG2 4.35Å; I79-I103 HydrophobicContact CD1-CG1 4.26Å; I100-I103 HydrophobicContact CG2-CG1 3.91Å; I103-A107 HydrophobicContact CG2-CB 3.54Å; I103-F108 HydrophobicContact CD1-CE2 4.48Å; I103-F108 HydrophobicContact CD1-CZ 4.41Å; I103-F108 HydrophobicContact CG2-CE2 3.86Å; I103-F108 HydrophobicContact CG2-CZ 4.2Å; I103-L119 HydrophobicContact CD1-CD1 3.91Å; I103-L119 HydrophobicContact CD1-CD2 4.06Å; I103-L124 HydrophobicContact CD1-CD1 3.97Å; I103-L124 HydrophobicContact CD1-CD2 3.84Å; I103-L124 HydrophobicContact CG1-CD2 3.83Å; I103-V131 HydrophobicContact CB-CG1 4.15Å; I103-V131 HydrophobicContact CB-CG2 4.39Å; I103-V131 HydrophobicContact CG2-CB 4.5Å; I103-V131 HydrophobicContact CG2-CG1 3.51Å; I103-V131 HydrophobicContact CG2-CG2 4.2Å; I103-V131 WeakPolarHBondContact O-CG2 3.47Å
104	E	94.8	Very high	95.9	Very high	94 Å²	94	36.5 Å²	36.5	44%	0.439	20%	0.199	S	C	.	.			trans	-79	150.7	179.8	-61.9	-155.2	154.2	0	0	111.3	I79 P81 G106 A107	I79-E104 PolarHBondContact O-N 2.89Å; I79-E104 VanDerWaalsContact O-N 3.1Å; P81-E104 WeakPolarHBondContact CD-OE2 3.43Å; P81-E104 HydrophobicContact CG-CB 3.95Å; P81-E104 WeakPolarHBondContact CG-OE2 3.01Å; E104-G106 PolarHBondContact O-N 3.5Å; E104-A107 WeakPolarHBondContact O-CB 3.46Å; E104-A107 PolarHBondContact O-N 2.9Å; E104-A107 VanDerWaalsContact O-N 3.1Å
105	P	95.3	Very high	95.9	Very high	58 Å²	58	40.8 Å²	40.8	38%	0.377	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	136.6	173.1	-24.4	35.1	0	0	0	111.1	A107 Q128	P105-A107 VanDerWaalsContact C-N 3.32Å; P105-Q128 HydrophobicContact CG-CB 4.45Å
106	G	94.4	Very high	95.9	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	6.3	-175.3	0	0	0	0	0	115.5	D82 E104 F108 N109 G130	D82-G106 PolarHBondContact N-O 2.97Å; E104-G106 PolarHBondContact O-N 3.5Å; G106-F108 PolarHBondContact O-N 2.51Å; G106-N109 WeakPolarHBondContact CA-OD1 3.28Å; G106-N109 WeakPolarHBondContact O-CB 3.2Å; G106-N109 PolarHBondContact O-N 2.79Å; G106-N109 VanDerWaalsContact O-N 3.16Å; G106-N109 PolarHBondContact O-ND2 3.08Å; G106-G130 PolarHBondContact N-O 3.02Å
107	A	95.9	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.2	174.4	0	0	0	0	0	114.2	I79 N80 I103 E104 P105	I79-A107 HydrophobicContact CB-CB 4.31Å; I79-A107 HydrophobicContact CG2-CB 3.67Å; N80-A107 VanDerWaalsContact O-CA 3.31Å; N80-A107 WeakPolarHBondContact O-CA 2.84Å; I103-A107 HydrophobicContact CG2-CB 3.54Å; E104-A107 WeakPolarHBondContact O-CB 3.46Å; E104-A107 PolarHBondContact O-N 2.9Å; E104-A107 VanDerWaalsContact O-N 3.1Å; P105-A107 VanDerWaalsContact C-N 3.32Å
108	F	96.3	Very high	96	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	24.6	-178.7	-53.1	-63.5	0	0	0	113	I79 F84 L93 L95 I103 G106 L111 L117 V131 L135	I79-F108 HydrophobicContact CD1-CE1 4.31Å; I79-F108 HydrophobicContact CD1-CZ 4.15Å; F84-F108 HydrophobicContact CD2-CD1 4.07Å; F84-F108 HydrophobicContact CD2-CE1 4.24Å; F84-F108 HydrophobicContact CE2-CD1 4.39Å; F84-F108 HydrophobicContact CE2-CE1 4.1Å; L93-F108 HydrophobicContact CD2-CD1 4.15Å; L93-F108 HydrophobicContact CD2-CE1 3.95Å; L95-F108 HydrophobicContact CD1-CE1 4.28Å; I103-F108 HydrophobicContact CD1-CE2 4.48Å; I103-F108 HydrophobicContact CD1-CZ 4.41Å; I103-F108 HydrophobicContact CG2-CE2 3.86Å; I103-F108 HydrophobicContact CG2-CZ 4.2Å; G106-F108 PolarHBondContact O-N 2.51Å; F108-L111 HydrophobicContact CB-CD1 4.1Å; F108-L111 HydrophobicContact CD1-CD1 4.13Å; F108-L111 WeakPolarHBondContact O-CB 3.19Å; F108-L111 PolarHBondContact O-N 3.18Å; F108-L117 HydrophobicContact CD2-CD2 4.39Å; F108-L117 HydrophobicContact CE1-CD1 4.16Å; F108-L117 HydrophobicContact CE1-CD2 4.45Å; F108-L117 HydrophobicContact CE2-CD2 4Å; F108-L117 HydrophobicContact CZ-CD1 4.26Å; F108-L117 HydrophobicContact CZ-CD2 4.04Å; F108-V131 HydrophobicContact CD2-CG1 4.13Å; F108-V131 WeakPolarHBondContact CD2-O 3.44Å; F108-V131 HydrophobicContact CE2-CG1 3.85Å; F108-L135 HydrophobicContact CB-CD1 3.99Å; F108-L135 HydrophobicContact CB-CD2 3.98Å; F108-L135 HydrophobicContact CB-CG 4.24Å; F108-L135 HydrophobicContact CD2-CD1 4.14Å; F108-L135 HydrophobicContact CG-CD1 4.26Å
109	N	93.8	Very high	96	Very high	54 Å²	54	36.9 Å²	36.9	29%	0.289	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	149.7	176.1	-81.3	-13	0	0	0	111.9	D82 G106 L111	D82-N109 WeakPolarHBondContact OD1-CB 3.47Å; D82-N109 PolarHBondContact OD1-ND2 3.01Å; G106-N109 WeakPolarHBondContact CA-OD1 3.28Å; G106-N109 WeakPolarHBondContact O-CB 3.2Å; G106-N109 PolarHBondContact O-N 2.79Å; G106-N109 VanDerWaalsContact O-N 3.16Å; G106-N109 PolarHBondContact O-ND2 3.08Å; N109-L111 PolarHBondContact O-N 2.61Å; N109-L111 VanDerWaalsContact O-N 3.09Å
110	N	92.1	Very high	95.9	Very high	56 Å²	56	39.6 Å²	39.6	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	6.9	-178.5	-63.4	-30.8	0	0	0	116.2	A85 Y112	A85-N110 HydrophobicContact CB-CB 4.44Å; N110-Y112 VanDerWaalsContact C-N 3.25Å; N110-Y112 HydrophobicContact CB-CE2 4.19Å; N110-Y112 PolarHBondContact O-N 2.96Å; N110-Y112 PolarHBondContact OD1-OH 2.98Å
111	L	95.5	Very high	95.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.21	C	C	.	.			trans	-88.7	49.6	174.4	-59.1	-172.1	0	0	0	112.5	F84 F87 L90 L93 F108 N109 G113 L114 L135	F84-L111 HydrophobicContact CB-CD1 3.81Å; F84-L111 HydrophobicContact CB-CD2 4.09Å; F84-L111 HydrophobicContact CB-CG 4.24Å; F84-L111 HydrophobicContact CG-CD1 4.45Å; F84-L111 WeakPolarHBondContact O-CD2 3.47Å; F87-L111 HydrophobicContact CB-CD2 4.47Å; F87-L111 VanDerWaalsContact O-CD2 3.28Å; F87-L111 WeakPolarHBondContact O-CD2 3.28Å; L90-L111 HydrophobicContact CB-CD2 4.2Å; L90-L111 HydrophobicContact CD2-CD1 4.43Å; L90-L111 HydrophobicContact CD2-CD2 4.43Å; L93-L111 HydrophobicContact CD2-CD1 4.36Å; F108-L111 HydrophobicContact CB-CD1 4.1Å; F108-L111 HydrophobicContact CD1-CD1 4.13Å; F108-L111 WeakPolarHBondContact O-CB 3.19Å; F108-L111 PolarHBondContact O-N 3.18Å; N109-L111 PolarHBondContact O-N 2.61Å; N109-L111 VanDerWaalsContact O-N 3.09Å; L111-G113 PolarHBondContact O-N 3.02Å; L111-G113 VanDerWaalsContact O-N 3.16Å; L111-L114 HydrophobicContact CB-CB 4.16Å; L111-L114 HydrophobicContact CD1-CD2 4.17Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 3.38Å; L111-L114 VanDerWaalsContact O-N 3.14Å; L111-L135 HydrophobicContact CB-CD2 3.97Å
112	Y	92.2	Very high	96	Very high	128 Å²	128	38.3 Å²	38.3	50%	0.502	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.5	-176.2	-49.2	-64.9	0	0	0	113.6	N110 N137	N110-Y112 VanDerWaalsContact C-N 3.25Å; N110-Y112 HydrophobicContact CB-CE2 4.19Å; N110-Y112 PolarHBondContact O-N 2.96Å; N110-Y112 PolarHBondContact OD1-OH 2.98Å; Y112-N137 WeakPolarHBondContact O-CB 3.32Å; Y112-N137 PolarHBondContact O-ND2 3.39Å
113	G	94.6	Very high	96.1	Very high	26 Å²	26	40.2 Å²	40.2	27%	0.268	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.6	178.5	0	0	0	0	0	114.7	L90 L111 R115	L90-G113 CarbonylContact O-C 3.58Å; L90-G113 VanDerWaalsContact O-C 3.26Å; L111-G113 PolarHBondContact O-N 3.02Å; L111-G113 VanDerWaalsContact O-N 3.16Å; G113-R115 PolarHBondContact O-N 3.47Å
114	L	97.6	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.			trans	-67.7	128.9	-170.7	-161.6	71.6	0	0	0	111.1	L90 L93 L111 L117 L135 N137 L138	L90-L114 HydrophobicContact CB-CD1 4.29Å; L90-L114 HydrophobicContact CD2-CD1 4.05Å; L90-L114 HydrophobicContact CG-CD1 4.02Å; L90-L114 VanDerWaalsContact O-CA 3.29Å; L90-L114 WeakPolarHBondContact O-CA 3.12Å; L90-L114 PolarHBondContact O-N 3.44Å; L93-L114 HydrophobicContact CB-CD1 3.82Å; L93-L114 HydrophobicContact CB-CD2 4.45Å; L111-L114 HydrophobicContact CB-CB 4.16Å; L111-L114 HydrophobicContact CD1-CD2 4.17Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 3.38Å; L111-L114 VanDerWaalsContact O-N 3.14Å; L114-L117 HydrophobicContact CD2-CB 4.21Å; L114-L117 HydrophobicContact CD2-CD1 4.49Å; L114-L135 HydrophobicContact CB-CD2 4.25Å; L114-L135 HydrophobicContact CD2-CD2 4.06Å; L114-N137 CarbonylContact O-C 3.48Å; L114-L138 HydrophobicContact CB-CD1 4.33Å; L114-L138 HydrophobicContact CD2-CD1 3.98Å; L114-L138 HydrophobicContact CG-CD1 3.94Å; L114-L138 VanDerWaalsContact O-CA 3.24Å; L114-L138 WeakPolarHBondContact O-CA 3.46Å; L114-L138 PolarHBondContact O-N 3.13Å; L114-L138 VanDerWaalsContact O-N 3.12Å
115	R	97.9	Very high	95.9	Very high	133 Å²	133	42.4 Å²	42.4	50%	0.502	20%	0.202	S	C	.	.			trans	-109.8	-38.8	-178.5	-64.7	178.1	179.4	-98.9	-1.6	112.1	E91 G113 T139 E140	E91-R115 WeakPolarHBondContact O-CA 3.39Å; E91-R115 WeakPolarHBondContact O-CB 3.35Å; E91-R115 PolarHBondContact O-N 2.82Å; E91-R115 IonicContact OE2-NE 2.65Å; G113-R115 PolarHBondContact O-N 3.47Å; R115-T139 PolarHBondContact O-N 3.01Å; R115-T139 PolarHBondContact O-OG1 2.79Å; R115-E140 PolarHBondContact O-N 3.21Å
116	T	98.4	Very high	95.8	Very high	27 Å²	27	43.2 Å²	43.2	17%	0.166	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129	-178.2	-55.3	0	0	0	0	110	E91 H92 L93 E140	E91-T116 PolarHBondContact O-N 2.84Å; H92-T116 VanDerWaalsContact ND1-CB 3.32Å; H92-T116 WeakPolarHBondContact ND1-CB 3.28Å; H92-T116 WeakPolarHBondContact ND1-CG2 3.31Å; L93-T116 PolarHBondContact N-O 3.19Å; T116-E140 WeakPolarHBondContact CA-O 3.23Å; T116-E140 HydrophobicContact CG2-CB 4.09Å; T116-E140 PolarHBondContact OG1-OE2 3.14Å
117	L	98.3	Very high	95.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.3	174.8	177.6	59	0	0	0	109.7	L93 L95 F108 L114 L119 F132 L135 L138 E140 L141 D142	L93-L117 HydrophobicContact CB-CD1 4.13Å; L93-L117 HydrophobicContact CD2-CD1 3.94Å; L93-L117 HydrophobicContact CG-CD1 4.01Å; L93-L117 WeakPolarHBondContact O-CA 3.4Å; L95-L117 HydrophobicContact CD1-CD1 4.38Å; F108-L117 HydrophobicContact CD2-CD2 4.39Å; F108-L117 HydrophobicContact CE1-CD1 4.16Å; F108-L117 HydrophobicContact CE1-CD2 4.45Å; F108-L117 HydrophobicContact CE2-CD2 4Å; F108-L117 HydrophobicContact CZ-CD1 4.26Å; F108-L117 HydrophobicContact CZ-CD2 4.04Å; L114-L117 HydrophobicContact CD2-CB 4.21Å; L114-L117 HydrophobicContact CD2-CD1 4.49Å; L117-L119 HydrophobicContact CD1-CG 4.36Å; L117-L119 HydrophobicContact CD2-CD1 4.13Å; L117-L119 HydrophobicContact CG-CD1 4.21Å; L117-L119 HydrophobicContact CG-CG 4.22Å; L117-F132 HydrophobicContact CD2-CE1 4.08Å; L117-L135 HydrophobicContact CD2-CD1 4.25Å; L117-L138 HydrophobicContact CB-CD1 3.83Å; L117-L138 HydrophobicContact CB-CD2 4.25Å; L117-E140 PolarHBondContact N-O 3.09Å; L117-L141 HydrophobicContact CB-CD1 4.12Å; L117-L141 HydrophobicContact CD2-CD1 4.02Å; L117-L141 HydrophobicContact CG-CD1 4.06Å; L117-D142 PolarHBondContact O-N 3.16Å
118	G	98.1	Very high	95.4	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.4	176.3	0	0	0	0	0	111.6	L93 E94 L95	L93-G118 PolarHBondContact O-N 3.28Å; E94-G118 WeakPolarHBondContact OE1-CA 3.28Å; L95-G118 CarbonylContact C-O 3.6Å; L95-G118 WeakPolarHBondContact CA-O 3.16Å; L95-G118 WeakPolarHBondContact CB-O 3.31Å; L95-G118 PolarHBondContact N-O 3.3Å
119	L	97.4	Very high	95	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.257	C	S	.	.			trans	-127.2	17.7	176.9	-71.3	168.7	0	0	0	111.8	L95 I100 I103 L117 N122 L124 L141 D142 I143 N146	L95-L119 HydrophobicContact CB-CD2 4Å; L95-L119 HydrophobicContact CD1-CD2 4.07Å; I100-L119 HydrophobicContact CD1-CD2 4.39Å; I103-L119 HydrophobicContact CD1-CD1 3.91Å; I103-L119 HydrophobicContact CD1-CD2 4.06Å; L117-L119 HydrophobicContact CD1-CG 4.36Å; L117-L119 HydrophobicContact CD2-CD1 4.13Å; L117-L119 HydrophobicContact CG-CD1 4.21Å; L117-L119 HydrophobicContact CG-CG 4.22Å; L119-N122 PolarHBondContact O-ND2 3.22Å; L119-L124 HydrophobicContact CB-CD1 4.45Å; L119-L124 HydrophobicContact CD1-CD1 4.46Å; L119-L141 HydrophobicContact CD1-CD1 4.49Å; L119-D142 CarbonylContact C-O 3.13Å; L119-D142 WeakPolarHBondContact CA-O 3.4Å; L119-D142 WeakPolarHBondContact CB-O 3.35Å; L119-D142 PolarHBondContact N-O 3.39Å; L119-I143 HydrophobicContact CB-CG2 4.33Å; L119-I143 HydrophobicContact CD1-CG2 4.28Å; L119-N146 PolarHBondContact O-ND2 2.99Å
120	R	97.2	Very high	94.7	Very high	107 Å²	107	52.6 Å²	52.6	40%	0.404	25%	0.251	S	S	.	.			trans	-63	150	-175.7	177	172.6	172.7	-144.7	1.1	112.5	S96 E97 N122 D142 S144 E145	S96-R120 CarbonylContact C-O 3.6Å; S96-R120 WeakPolarHBondContact CA-O 3.33Å; S96-R120 WeakPolarHBondContact CB-O 3.18Å; S96-R120 WeakPolarHBondContact OG-CB 3.43Å; S96-R120 PolarHBondContact OG-N 2.78Å; S96-R120 VanDerWaalsContact OG-N 3.13Å; E97-R120 PolarHBondContact N-O 3.4Å; R120-N122 PolarHBondContact O-N 3.03Å; R120-N122 PolarHBondContact O-ND2 3.48Å; R120-D142 WeakPolarHBondContact CB-OD2 3.3Å; R120-D142 WeakPolarHBondContact CD-OD2 3.46Å; R120-D142 PolarHBondContact N-O 3.05Å; R120-S144 CarbonylContact C-O 3.53Å; R120-S144 VanDerWaalsContact CA-O 3.23Å; R120-S144 WeakPolarHBondContact CA-O 3.43Å; R120-S144 VanDerWaalsContact CD-OG 3.27Å; R120-S144 WeakPolarHBondContact CD-OG 3.27Å; R120-S144 VanDerWaalsContact CG-OG 3.28Å; R120-S144 WeakPolarHBondContact CG-OG 3.02Å; R120-E145 HydrophobicContact CG-CB 4.22Å; R120-E145 IonicContact CZ-OE1 2.62Å; R120-E145 IonicContact NE-OE1 2.74Å; R120-E145 PolarHBondContact NE-OE1 2.93Å; R120-E145 IonicContact NH2-OE1 3.84Å; R120-E145 PolarHBondContact NH2-OE1 2.68Å
121	S	97.1	Very high	94.9	Very high	25 Å²	25	50 Å²	50	18%	0.175	24%	0.237	C	C	.	.	S	Bend	trans	58	46.4	173.8	-48.4	0	0	0	0	113.1	E97 S144 E145	E97-S121 WeakPolarHBondContact CA-O 3.46Å; S121-S144 PolarHBondContact N-O 3.2Å; S121-E145 CarbonylContact C-O 3.55Å; S121-E145 WeakPolarHBondContact CA-O 3.26Å; S121-E145 PolarHBondContact OG-OE2 2.79Å
122	N	97.6	Very high	94.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-111.8	-162.4	175.6	-86.8	-71.2	0	0	0	111.1	L95 N98 T99 I100 L119 R120 L124 E145 N146	L95-N122 PolarHBondContact O-ND2 2.87Å; N98-N122 VanDerWaalsContact CA-OD1 3.32Å; N98-N122 WeakPolarHBondContact CA-OD1 3.49Å; N98-N122 WeakPolarHBondContact CB-OD1 3.3Å; N98-N122 PolarHBondContact N-OD1 3.29Å; N98-N122 PolarHBondContact O-OD1 3.28Å; T99-N122 PolarHBondContact N-OD1 2.93Å; I100-N122 HydrophobicContact CB-CB 4.28Å; I100-N122 WeakPolarHBondContact CB-OD1 3.07Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.49Å; I100-N122 PolarHBondContact N-OD1 3.35Å; L119-N122 PolarHBondContact O-ND2 3.22Å; R120-N122 PolarHBondContact O-N 3.03Å; R120-N122 PolarHBondContact O-ND2 3.48Å; N122-L124 HydrophobicContact CB-CG 4.42Å; N122-E145 PolarHBondContact N-O 3.19Å; N122-N146 VanDerWaalsContact CA-OD1 3.31Å; N122-N146 WeakPolarHBondContact CA-OD1 3.35Å; N122-N146 WeakPolarHBondContact CB-OD1 3.35Å
123	K	96.8	Very high	94.9	Very high	108 Å²	108	46.6 Å²	46.6	47%	0.47	23%	0.23	S	C	.	.			trans	-121.7	24.2	-178.2	-57.8	-62.6	173.5	-157	0	112.2	I100 K125 N146	I100-K123 CarbonylContact O-C 3.57Å; I100-K123 VanDerWaalsContact O-CA 3.28Å; I100-K123 WeakPolarHBondContact O-CA 3.4Å; I100-K123 PolarHBondContact O-N 3.19Å; K123-K125 PolarHBondContact O-N 3.1Å; K123-N146 PolarHBondContact N-OD1 3.16Å
124	L	95.8	Very high	94.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.235	C	C	.	.			trans	-65.2	121.7	-177.8	-61.1	173.3	0	0	0	110.3	I100 I103 L119 N122 N146 K147 I148	I100-L124 HydrophobicContact CG2-CD2 3.84Å; I100-L124 PolarHBondContact O-N 2.81Å; I103-L124 HydrophobicContact CD1-CD1 3.97Å; I103-L124 HydrophobicContact CD1-CD2 3.84Å; I103-L124 HydrophobicContact CG1-CD2 3.83Å; L119-L124 HydrophobicContact CB-CD1 4.45Å; L119-L124 HydrophobicContact CD1-CD1 4.46Å; N122-L124 HydrophobicContact CB-CG 4.42Å; L124-N146 HydrophobicContact CB-CB 4.21Å; L124-N146 VanDerWaalsContact CB-OD1 3.3Å; L124-N146 WeakPolarHBondContact CB-OD1 3.49Å; L124-N146 WeakPolarHBondContact CG-OD1 2.8Å; L124-N146 PolarHBondContact N-OD1 3.28Å; L124-K147 CarbonylContact O-C 3.15Å; L124-K147 WeakPolarHBondContact O-CA 3.29Å; L124-K147 WeakPolarHBondContact O-CB 3.12Å; L124-K147 PolarHBondContact O-N 3.4Å; L124-I148 HydrophobicContact CB-CG1 4.43Å; L124-I148 WeakPolarHBondContact O-CG1 3.18Å; L124-I148 PolarHBondContact O-N 2.89Å
125	K	92.6	Very high	94.5	Very high	151 Å²	151	47.1 Å²	47.1	66%	0.657	24%	0.235	S	C	*	.	S	Bend	trans	-94.4	-31.7	175.7	-68.6	-176.7	179.2	-179	0	113.5	K123 K147 I148	K123-K125 PolarHBondContact O-N 3.1Å; K125-K147 WeakPolarHBondContact CA-O 3.37Å; K125-K147 HydrophobicContact CG-CB 4.06Å; K125-I148 WeakPolarHBondContact O-CA 3.29Å
126	L	91.9	Very high	94.3	Very high	76 Å²	76	42 Å²	42	40%	0.398	22%	0.22	S	C	.	.			trans	-149.4	143.1	-178.7	-176.9	72.7	0	0	0	107.6	Q128 L152	L126-Q128 HydrophobicContact CD2-CG 4.48Å; L126-L152 HydrophobicContact CD1-CD1 3.92Å; L126-L152 HydrophobicContact CD1-CG 4.49Å
127	I	91.9	Very high	94.2	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	23%	0.232	C	C	.	.			trans	-107.2	117.5	167	-58.5	173	0	0	0	106.3	V131 F132 I143 I148 M155	I127-V131 HydrophobicContact CG2-CB 3.91Å; I127-V131 HydrophobicContact CG2-CG1 4.12Å; I127-V131 HydrophobicContact CG2-CG2 4.16Å; I127-F132 HydrophobicContact CD1-CE2 4.16Å; I127-F132 HydrophobicContact CD1-CZ 4.05Å; I127-F132 HydrophobicContact CG2-CD2 4.32Å; I127-F132 HydrophobicContact CG2-CE2 3.71Å; I127-F132 HydrophobicContact CG2-CZ 4.05Å; I127-I143 HydrophobicContact CD1-CD1 4.22Å; I127-I143 HydrophobicContact CD1-CG2 4.15Å; I127-I148 HydrophobicContact CD1-CD1 3.95Å; I127-I148 HydrophobicContact CG1-CD1 4.39Å; I127-M155 HydrophobicContact CB-CE 4.39Å; I127-M155 HydrophobicContact CB-SD 4.49Å
128	Q	89.6	Confident	94.2	Very high	105 Å²	105	44.5 Å²	44.5	49%	0.491	23%	0.232	S	C	.	.			trans	-72.1	151.9	-179.3	-67.8	-178	-14	0	0	110.8	P105 L126 G130 V131	P105-Q128 HydrophobicContact CG-CB 4.45Å; L126-Q128 HydrophobicContact CD2-CG 4.48Å; Q128-G130 PolarHBondContact O-N 3.3Å; Q128-V131 HydrophobicContact CB-CG2 4.27Å; Q128-V131 WeakPolarHBondContact O-CG2 3.48Å; Q128-V131 PolarHBondContact O-N 3.24Å
129	L	88.6	Confident	94.2	Very high	132 Å²	132	45.8 Å²	45.8	69%	0.691	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	135.1	169.3	-167.3	76.3	0	0	0	108.7
130	G	87.9	Confident	94.2	Very high	17 Å²	17	50.4 Å²	50.4	18%	0.175	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-6.3	-176.5	0	0	0	0	0	115.5	G106 Q128 T133	G106-G130 PolarHBondContact N-O 3.02Å; Q128-G130 PolarHBondContact O-N 3.3Å; G130-T133 PolarHBondContact O-OG1 2.84Å
131	V	95.1	Very high	94.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.243	C	C	.	.	S	Bend	trans	-68.9	-40.3	175.3	169.7	0	0	0	0	111.3	I103 F108 I127 Q128	I103-V131 HydrophobicContact CB-CG1 4.15Å; I103-V131 HydrophobicContact CB-CG2 4.39Å; I103-V131 HydrophobicContact CG2-CB 4.5Å; I103-V131 HydrophobicContact CG2-CG1 3.51Å; I103-V131 HydrophobicContact CG2-CG2 4.2Å; I103-V131 WeakPolarHBondContact O-CG2 3.47Å; F108-V131 HydrophobicContact CD2-CG1 4.13Å; F108-V131 WeakPolarHBondContact CD2-O 3.44Å; F108-V131 HydrophobicContact CE2-CG1 3.85Å; I127-V131 HydrophobicContact CG2-CB 3.91Å; I127-V131 HydrophobicContact CG2-CG1 4.12Å; I127-V131 HydrophobicContact CG2-CG2 4.16Å; Q128-V131 HydrophobicContact CB-CG2 4.27Å; Q128-V131 WeakPolarHBondContact O-CG2 3.48Å; Q128-V131 PolarHBondContact O-N 3.24Å
132	F	95.3	Very high	94.3	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	-97.5	8.3	-176.6	-60.4	-48.8	0	0	0	114.3	L117 I127 G134 L135 L141 F156 L159	L117-F132 HydrophobicContact CD2-CE1 4.08Å; I127-F132 HydrophobicContact CD1-CE2 4.16Å; I127-F132 HydrophobicContact CD1-CZ 4.05Å; I127-F132 HydrophobicContact CG2-CD2 4.32Å; I127-F132 HydrophobicContact CG2-CE2 3.71Å; I127-F132 HydrophobicContact CG2-CZ 4.05Å; F132-G134 PolarHBondContact O-N 3.05Å; F132-L135 HydrophobicContact CD1-CD1 4.01Å; F132-L135 PolarHBondContact O-N 2.84Å; F132-L141 HydrophobicContact CE1-CD1 4.24Å; F132-L141 HydrophobicContact CE1-CD2 4.23Å; F132-L141 HydrophobicContact CE2-CD2 4.09Å; F132-L141 HydrophobicContact CZ-CD1 4.3Å; F132-L141 HydrophobicContact CZ-CD2 3.81Å; F132-F156 HydrophobicContact CD2-CD1 4.25Å; F132-F156 HydrophobicContact CE2-CD1 4.08Å; F132-F156 AromaticContact CE2-CE1 3.94Å; F132-F156 HydrophobicContact CE2-CE1 3.94Å; F132-L159 HydrophobicContact CB-CD1 4.27Å; F132-L159 HydrophobicContact CB-CD2 3.95Å; F132-L159 HydrophobicContact CB-CG 4.11Å; F132-L159 HydrophobicContact CD2-CD1 4.11Å; F132-L159 HydrophobicContact CG-CD1 4.13Å
133	T	92.6	Very high	94.3	Very high	52 Å²	52	45.8 Å²	45.8	32%	0.319	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	134.3	179.7	46.5	0	0	0	0	110.8	G130 L135 D158	G130-T133 PolarHBondContact O-OG1 2.84Å; T133-L135 VanDerWaalsContact C-N 3.28Å; T133-L135 PolarHBondContact O-N 3.22Å; T133-D158 VanDerWaalsContact CG2-OD2 3.22Å; T133-D158 WeakPolarHBondContact CG2-OD2 3.36Å
134	G	89.6	Confident	94.2	Very high	37 Å²	37	41 Å²	41	38%	0.381	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-8.1	178.3	0	0	0	0	0	115.1	F132 S136	F132-G134 PolarHBondContact O-N 3.05Å; G134-S136 PolarHBondContact O-N 3.32Å
135	L	95.6	Very high	94.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.			trans	-80.6	48.7	175	-62.8	-177	0	0	0	112.3	F108 L111 L114 L117 F132 T133 N137 L138 L159	F108-L135 HydrophobicContact CB-CD1 3.99Å; F108-L135 HydrophobicContact CB-CD2 3.98Å; F108-L135 HydrophobicContact CB-CG 4.24Å; F108-L135 HydrophobicContact CD2-CD1 4.14Å; F108-L135 HydrophobicContact CG-CD1 4.26Å; L111-L135 HydrophobicContact CB-CD2 3.97Å; L114-L135 HydrophobicContact CB-CD2 4.25Å; L114-L135 HydrophobicContact CD2-CD2 4.06Å; L117-L135 HydrophobicContact CD2-CD1 4.25Å; F132-L135 HydrophobicContact CD1-CD1 4.01Å; F132-L135 PolarHBondContact O-N 2.84Å; T133-L135 VanDerWaalsContact C-N 3.28Å; T133-L135 PolarHBondContact O-N 3.22Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 3.43Å; L135-L138 HydrophobicContact CB-CB 4.25Å; L135-L138 HydrophobicContact CD1-CD2 4.41Å; L135-L138 WeakPolarHBondContact O-CB 3.47Å; L135-L138 PolarHBondContact O-N 3.28Å; L135-L159 HydrophobicContact CB-CD2 3.83Å; L135-L159 WeakPolarHBondContact O-CD2 3.39Å
136	S	93.1	Very high	94.3	Very high	26 Å²	26	36.7 Å²	36.7	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-26.3	-174.3	49.7	0	0	0	0	113.9	G134 Y160 N161	G134-S136 PolarHBondContact O-N 3.32Å; S136-Y160 VanDerWaalsContact CB-CZ 3.45Å; S136-Y160 WeakPolarHBondContact CB-OH 3.4Å; S136-N161 VanDerWaalsContact O-CB 3.23Å; S136-N161 WeakPolarHBondContact O-CB 3.24Å; S136-N161 PolarHBondContact O-ND2 3.31Å
137	N	96.3	Very high	94.5	Very high	79 Å²	79	36.5 Å²	36.5	42%	0.422	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.9	179.6	-74.1	-21.2	0	0	0	113.8	Y112 L114 L135 T139	Y112-N137 WeakPolarHBondContact O-CB 3.32Å; Y112-N137 PolarHBondContact O-ND2 3.39Å; L114-N137 CarbonylContact O-C 3.48Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 3.43Å; N137-T139 PolarHBondContact O-N 3.07Å
138	L	97.9	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.			trans	-65.6	126.3	-179	-160.7	74.6	0	0	0	109.7	L114 L117 L135 L141 L159 N161 L162	L114-L138 HydrophobicContact CB-CD1 4.33Å; L114-L138 HydrophobicContact CD2-CD1 3.98Å; L114-L138 HydrophobicContact CG-CD1 3.94Å; L114-L138 VanDerWaalsContact O-CA 3.24Å; L114-L138 WeakPolarHBondContact O-CA 3.46Å; L114-L138 PolarHBondContact O-N 3.13Å; L114-L138 VanDerWaalsContact O-N 3.12Å; L117-L138 HydrophobicContact CB-CD1 3.83Å; L117-L138 HydrophobicContact CB-CD2 4.25Å; L135-L138 HydrophobicContact CB-CB 4.25Å; L135-L138 HydrophobicContact CD1-CD2 4.41Å; L135-L138 WeakPolarHBondContact O-CB 3.47Å; L135-L138 PolarHBondContact O-N 3.28Å; L138-L141 HydrophobicContact CD2-CB 4.13Å; L138-L141 HydrophobicContact CD2-CD1 4.47Å; L138-L159 HydrophobicContact CB-CD2 4.19Å; L138-L159 HydrophobicContact CD2-CD1 4.39Å; L138-L159 HydrophobicContact CD2-CD2 3.9Å; L138-N161 CarbonylContact O-C 3.55Å; L138-N161 VanDerWaalsContact O-C 3.31Å; L138-L162 HydrophobicContact CB-CD1 4.36Å; L138-L162 HydrophobicContact CD2-CD1 4.03Å; L138-L162 HydrophobicContact CG-CD1 4.04Å; L138-L162 WeakPolarHBondContact O-CA 3.35Å; L138-L162 PolarHBondContact O-N 3.35Å
139	T	98.2	Very high	94.7	Very high	30 Å²	30	34.4 Å²	34.4	18%	0.184	20%	0.195	C	C	.	.			trans	-107.4	-28.9	179.9	50.5	0	0	0	0	112.4	R115 N137 R163 S164	R115-T139 PolarHBondContact O-N 3.01Å; R115-T139 PolarHBondContact O-OG1 2.79Å; N137-T139 PolarHBondContact O-N 3.07Å; T139-R163 PolarHBondContact O-N 2.79Å; T139-S164 PolarHBondContact O-N 2.79Å
140	E	98.5	Very high	94.9	Very high	97 Å²	97	31.1 Å²	31.1	45%	0.453	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.1	-176.1	-62.9	-179.2	171.2	0	0	110.7	R115 T116 L117	R115-E140 PolarHBondContact O-N 3.21Å; T116-E140 WeakPolarHBondContact CA-O 3.23Å; T116-E140 HydrophobicContact CG2-CB 4.09Å; T116-E140 PolarHBondContact OG1-OE2 3.14Å; L117-E140 PolarHBondContact N-O 3.09Å
141	L	98.2	Very high	95.3	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123	176.6	176.6	61.6	0	0	0	109.5	L117 L119 F132 L138 I143 F156 L159 L162 S164 L165 E166	L117-L141 HydrophobicContact CB-CD1 4.12Å; L117-L141 HydrophobicContact CD2-CD1 4.02Å; L117-L141 HydrophobicContact CG-CD1 4.06Å; L119-L141 HydrophobicContact CD1-CD1 4.49Å; F132-L141 HydrophobicContact CE1-CD1 4.24Å; F132-L141 HydrophobicContact CE1-CD2 4.23Å; F132-L141 HydrophobicContact CE2-CD2 4.09Å; F132-L141 HydrophobicContact CZ-CD1 4.3Å; F132-L141 HydrophobicContact CZ-CD2 3.81Å; L138-L141 HydrophobicContact CD2-CB 4.13Å; L138-L141 HydrophobicContact CD2-CD1 4.47Å; L141-I143 HydrophobicContact CD1-CG2 3.92Å; L141-I143 HydrophobicContact CD2-CG2 4.37Å; L141-I143 HydrophobicContact CG-CG2 4.04Å; L141-F156 HydrophobicContact CD2-CD1 4.28Å; L141-F156 HydrophobicContact CD2-CE1 4.07Å; L141-L159 HydrophobicContact CD2-CD1 3.71Å; L141-L162 HydrophobicContact CB-CD1 3.82Å; L141-L162 HydrophobicContact CB-CD2 4.21Å; L141-S164 PolarHBondContact N-O 3.06Å; L141-S164 VanDerWaalsContact N-O 3.1Å; L141-L165 HydrophobicContact CB-CD1 4.13Å; L141-L165 HydrophobicContact CD2-CD1 3.98Å; L141-L165 HydrophobicContact CG-CD1 4.06Å; L141-L165 WeakPolarHBondContact O-CA 3.2Å; L141-E166 PolarHBondContact O-N 3.1Å
142	D	97.7	Very high	95.2	Very high	32 Å²	32	34 Å²	34	17%	0.171	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.9	173.3	-174.5	-3.6	0	0	0	110	L117 L119 R120 S144 E166	L117-D142 PolarHBondContact O-N 3.16Å; L119-D142 CarbonylContact C-O 3.13Å; L119-D142 WeakPolarHBondContact CA-O 3.4Å; L119-D142 WeakPolarHBondContact CB-O 3.35Å; L119-D142 PolarHBondContact N-O 3.39Å; R120-D142 WeakPolarHBondContact CB-OD2 3.3Å; R120-D142 WeakPolarHBondContact CD-OD2 3.46Å; R120-D142 PolarHBondContact N-O 3.05Å; D142-S144 WeakPolarHBondContact OD1-CB 3.29Å; D142-S144 PolarHBondContact OD1-N 2.65Å; D142-S144 PolarHBondContact OD1-OG 2.59Å; D142-S144 PolarHBondContact OD2-OG 2.85Å; D142-E166 HydrophobicContact CB-CB 4.42Å
143	I	96.1	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.			trans	-116.7	20.5	175.2	57.3	171	0	0	0	111.6	L119 I127 L141 N146 I148 F156 L165 E166 V167 N170	L119-I143 HydrophobicContact CB-CG2 4.33Å; L119-I143 HydrophobicContact CD1-CG2 4.28Å; I127-I143 HydrophobicContact CD1-CD1 4.22Å; I127-I143 HydrophobicContact CD1-CG2 4.15Å; L141-I143 HydrophobicContact CD1-CG2 3.92Å; L141-I143 HydrophobicContact CD2-CG2 4.37Å; L141-I143 HydrophobicContact CG-CG2 4.04Å; I143-N146 PolarHBondContact O-ND2 3.02Å; I143-I148 HydrophobicContact CB-CD1 4.38Å; I143-I148 HydrophobicContact CD1-CD1 4.06Å; I143-F156 HydrophobicContact CD1-CE1 4.12Å; I143-F156 HydrophobicContact CD1-CZ 3.81Å; I143-L165 HydrophobicContact CG1-CD1 4.5Å; I143-E166 WeakPolarHBondContact CG1-O 3.47Å; I143-E166 PolarHBondContact N-O 2.92Å; I143-V167 HydrophobicContact CD1-CG1 4.31Å; I143-V167 HydrophobicContact CD1-CG2 3.99Å; I143-V167 HydrophobicContact CG1-CG1 4.45Å; I143-V167 HydrophobicContact CG1-CG2 4.05Å; I143-N170 PolarHBondContact O-ND2 3.49Å
144	S	95.6	Very high	95.4	Very high	8 Å²	8	38.2 Å²	38.2	6%	0.056	20%	0.204	C	C	.	.			trans	-69	164.4	179.1	67.6	0	0	0	0	112.9	R120 S121 D142 N146 G168	R120-S144 CarbonylContact C-O 3.53Å; R120-S144 VanDerWaalsContact CA-O 3.23Å; R120-S144 WeakPolarHBondContact CA-O 3.43Å; R120-S144 VanDerWaalsContact CD-OG 3.27Å; R120-S144 WeakPolarHBondContact CD-OG 3.27Å; R120-S144 VanDerWaalsContact CG-OG 3.28Å; R120-S144 WeakPolarHBondContact CG-OG 3.02Å; S121-S144 PolarHBondContact N-O 3.2Å; D142-S144 WeakPolarHBondContact OD1-CB 3.29Å; D142-S144 PolarHBondContact OD1-N 2.65Å; D142-S144 PolarHBondContact OD1-OG 2.59Å; D142-S144 PolarHBondContact OD2-OG 2.85Å; S144-N146 VanDerWaalsContact C-N 3.28Å; S144-N146 PolarHBondContact O-N 2.74Å; S144-N146 PolarHBondContact O-ND2 3.05Å; S144-G168 CarbonylContact C-O 3.46Å; S144-G168 WeakPolarHBondContact CA-O 3.5Å
145	E	95.1	Very high	95.6	Very high	61 Å²	61	37.2 Å²	37.2	29%	0.285	19%	0.19	S	C	.	.	S	Bend	trans	54.8	38.2	180	-66.2	179.9	-142.3	0	0	114.8	R120 S121 N122 G168 D169	R120-E145 HydrophobicContact CG-CB 4.22Å; R120-E145 IonicContact CZ-OE1 2.62Å; R120-E145 IonicContact NE-OE1 2.74Å; R120-E145 PolarHBondContact NE-OE1 2.93Å; R120-E145 IonicContact NH2-OE1 3.84Å; R120-E145 PolarHBondContact NH2-OE1 2.68Å; S121-E145 CarbonylContact C-O 3.55Å; S121-E145 WeakPolarHBondContact CA-O 3.26Å; S121-E145 PolarHBondContact OG-OE2 2.79Å; N122-E145 PolarHBondContact N-O 3.19Å; E145-G168 PolarHBondContact N-O 3.17Å; E145-D169 VanDerWaalsContact CA-CB 3.49Å; E145-D169 WeakPolarHBondContact CA-O 3.34Å; E145-D169 HydrophobicContact CB-CB 3.95Å; E145-D169 HydrophobicContact CG-CB 3.31Å
146	N	95.7	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-106.5	-158.7	176.2	-87.8	-78.4	0	0	0	111.5	L119 N122 K123 L124 I143 S144 I148 N170	L119-N146 PolarHBondContact O-ND2 2.99Å; N122-N146 VanDerWaalsContact CA-OD1 3.31Å; N122-N146 WeakPolarHBondContact CA-OD1 3.35Å; N122-N146 WeakPolarHBondContact CB-OD1 3.35Å; K123-N146 PolarHBondContact N-OD1 3.16Å; L124-N146 HydrophobicContact CB-CB 4.21Å; L124-N146 VanDerWaalsContact CB-OD1 3.3Å; L124-N146 WeakPolarHBondContact CB-OD1 3.49Å; L124-N146 WeakPolarHBondContact CG-OD1 2.8Å; L124-N146 PolarHBondContact N-OD1 3.28Å; I143-N146 PolarHBondContact O-ND2 3.02Å; S144-N146 VanDerWaalsContact C-N 3.28Å; S144-N146 PolarHBondContact O-N 2.74Å; S144-N146 PolarHBondContact O-ND2 3.05Å; N146-I148 HydrophobicContact CB-CD1 4.31Å; N146-I148 HydrophobicContact CB-CG1 4.16Å; N146-N170 VanDerWaalsContact CA-OD1 3.26Å; N146-N170 WeakPolarHBondContact CA-OD1 3.18Å; N146-N170 WeakPolarHBondContact CB-OD1 3.5Å; N146-N170 PolarHBondContact N-OD1 2.83Å
147	K	95.1	Very high	95.6	Very high	72 Å²	72	40.3 Å²	40.3	31%	0.313	20%	0.201	S	C	.	.			trans	-123.8	26.5	179.6	-63	-68.9	156.4	-147.5	0	111.9	L124 K125 V149 N170 D171	L124-K147 CarbonylContact O-C 3.15Å; L124-K147 WeakPolarHBondContact O-CA 3.29Å; L124-K147 WeakPolarHBondContact O-CB 3.12Å; L124-K147 PolarHBondContact O-N 3.4Å; K125-K147 WeakPolarHBondContact CA-O 3.37Å; K125-K147 HydrophobicContact CG-CB 4.06Å; K147-V149 PolarHBondContact O-N 3.29Å; K147-N170 PolarHBondContact N-OD1 3.43Å; K147-D171 WeakPolarHBondContact CD-OD2 3.19Å; K147-D171 IonicContact NZ-OD1 3.8Å; K147-D171 PolarHBondContact NZ-OD1 2.94Å; K147-D171 IonicContact NZ-OD2 3.24Å
148	I	94.5	Very high	95.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.198	C	C	.	.			trans	-70.3	123.5	-176.5	-58.2	169.6	0	0	0	108.8	L124 K125 I127 I143 N146 I150 L151 N170 D171 L172	L124-I148 HydrophobicContact CB-CG1 4.43Å; L124-I148 WeakPolarHBondContact O-CG1 3.18Å; L124-I148 PolarHBondContact O-N 2.89Å; K125-I148 WeakPolarHBondContact O-CA 3.29Å; I127-I148 HydrophobicContact CD1-CD1 3.95Å; I127-I148 HydrophobicContact CG1-CD1 4.39Å; I143-I148 HydrophobicContact CB-CD1 4.38Å; I143-I148 HydrophobicContact CD1-CD1 4.06Å; N146-I148 HydrophobicContact CB-CD1 4.31Å; N146-I148 HydrophobicContact CB-CG1 4.16Å; I148-I150 WeakPolarHBondContact CG2-O 3.47Å; I148-L151 HydrophobicContact CG2-CD2 4.09Å; I148-N170 HydrophobicContact CB-CB 4.26Å; I148-N170 WeakPolarHBondContact CB-OD1 3.06Å; I148-N170 VanDerWaalsContact CG1-OD1 3.29Å; I148-N170 WeakPolarHBondContact CG1-OD1 3.39Å; I148-N170 PolarHBondContact N-OD1 3.32Å; I148-D171 CarbonylContact O-C 3.14Å; I148-D171 PolarHBondContact O-N 3.29Å; I148-L172 HydrophobicContact CG2-CD1 4.49Å; I148-L172 WeakPolarHBondContact O-CA 3.28Å; I148-L172 PolarHBondContact O-N 3.39Å; I148-L172 VanDerWaalsContact O-N 3.12Å
149	V	93	Very high	95.4	Very high	67 Å²	67	39.6 Å²	39.6	41%	0.406	20%	0.198	S	C	.	.			trans	-92.8	-34.1	-177.5	-175.2	0	0	0	0	112.1	K147 D171 L172 V173	K147-V149 PolarHBondContact O-N 3.29Å; V149-D171 WeakPolarHBondContact CA-O 3.18Å; V149-D171 HydrophobicContact CG2-CB 4.42Å; V149-L172 WeakPolarHBondContact O-CA 3.13Å; V149-V173 HydrophobicContact CG1-CG2 4.48Å; V149-V173 PolarHBondContact O-N 3.15Å
150	I	92.9	Very high	95.3	Very high	62 Å²	62	43.1 Å²	43.1	32%	0.318	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.8	-176.2	62.2	-178.8	0	0	0	111.2	I148 L152 F174	I148-I150 WeakPolarHBondContact CG2-O 3.47Å; I150-L152 HydrophobicContact CD1-CD2 3.56Å; I150-L152 HydrophobicContact CD1-CG 4.29Å; I150-L152 HydrophobicContact CG1-CD2 4.1Å; I150-L152 HydrophobicContact CG1-CG 4.39Å; I150-F174 WeakPolarHBondContact CA-O 3.38Å; I150-F174 HydrophobicContact CG2-CB 4.19Å
151	L	94.7	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.9	162.8	-60.1	-178.3	0	0	0	108.7	I148 M155 F156 V167 L172 F174 I175 A176 A179 F180	I148-L151 HydrophobicContact CG2-CD2 4.09Å; L151-M155 HydrophobicContact CD2-CE 4.44Å; L151-M155 HydrophobicContact CD2-SD 3.71Å; L151-F156 HydrophobicContact CD1-CE2 4.42Å; L151-F156 HydrophobicContact CD2-CE2 4.41Å; L151-F156 HydrophobicContact CD2-CZ 4.33Å; L151-V167 HydrophobicContact CD1-CG1 4.36Å; L151-L172 HydrophobicContact CD1-CD2 4.42Å; L151-L172 HydrophobicContact CD2-CD1 4.5Å; L151-L172 HydrophobicContact CG-CD1 3.89Å; L151-L172 HydrophobicContact CG-CD2 4.44Å; L151-F174 PolarHBondContact N-O 2.9Å; L151-F174 VanDerWaalsContact N-O 3.17Å; L151-I175 HydrophobicContact CB-CG2 4.34Å; L151-I175 HydrophobicContact CD1-CD1 4.35Å; L151-I175 HydrophobicContact CD1-CG1 4.1Å; L151-I175 HydrophobicContact CD1-CG2 4.31Å; L151-I175 HydrophobicContact CG-CG1 4.42Å; L151-A176 VanDerWaalsContact O-CB 3.22Å; L151-A176 WeakPolarHBondContact O-CB 3.22Å; L151-A176 PolarHBondContact O-N 3.45Å; L151-A179 HydrophobicContact CB-CB 3.91Å; L151-F180 HydrophobicContact CD1-CE1 3.99Å; L151-F180 HydrophobicContact CD1-CZ 3.97Å
152	L	94.5	Very high	95.2	Very high	78 Å²	78	41 Å²	41	41%	0.408	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-82.8	159.4	-178.4	-64.2	175.8	0	0	0	111.7	L126 I150 M155 A179	L126-L152 HydrophobicContact CD1-CD1 3.92Å; L126-L152 HydrophobicContact CD1-CG 4.49Å; I150-L152 HydrophobicContact CD1-CD2 3.56Å; I150-L152 HydrophobicContact CD1-CG 4.29Å; I150-L152 HydrophobicContact CG1-CD2 4.1Å; I150-L152 HydrophobicContact CG1-CG 4.39Å; L152-M155 HydrophobicContact CB-CE 4.18Å; L152-M155 HydrophobicContact CG-CE 4.38Å; L152-M155 WeakPolarHBondContact O-CB 3.48Å; L152-M155 PolarHBondContact O-N 3.31Å; L152-A179 VanDerWaalsContact O-CA 3.3Å; L152-A179 WeakPolarHBondContact O-CA 3.48Å
153	D	95.7	Very high	95.2	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	138.6	174.2	-74.4	-23	0	0	0	111.3	M155 A176 H177 R178	D153-M155 PolarHBondContact O-N 2.95Å; D153-M155 VanDerWaalsContact O-N 3.12Å; D153-A176 WeakPolarHBondContact OD1-CB 3.49Å; D153-H177 PolarHBondContact OD1-N 3.15Å; D153-R178 HydrophobicContact CB-CB 4.09Å; D153-R178 WeakPolarHBondContact OD1-CA 3.18Å; D153-R178 WeakPolarHBondContact OD1-CB 3.29Å; D153-R178 PolarHBondContact OD1-N 3.08Å
154	Y	95	Very high	95.3	Very high	76 Å²	76	47 Å²	47	30%	0.298	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	13.1	177.2	-43.4	-70.8	0	0	0	116.1	F156 Q157 R178 H181	Y154-F156 PolarHBondContact O-N 3.12Å; Y154-F156 VanDerWaalsContact O-N 3.08Å; Y154-Q157 WeakPolarHBondContact O-CB 3.37Å; Y154-Q157 PolarHBondContact O-N 2.85Å; Y154-Q157 VanDerWaalsContact O-N 3.08Å; Y154-R178 HydrophobicContact CD1-CB 4.48Å; Y154-R178 HydrophobicContact CE1-CB 4.1Å; Y154-R178 PolarHBondContact N-O 3.21Å; Y154-R178 WeakPolarHBondContact OH-CD 3.45Å; Y154-R178 PolarHBondContact OH-NH1 2.91Å; Y154-H181 HydrophobicContact CD1-CB 3.98Å; Y154-H181 AromaticContact CD1-CG 3.92Å; Y154-H181 AromaticContact CD1-ND1 3.65Å; Y154-H181 HydrophobicContact CE1-CB 4.26Å; Y154-H181 AromaticContact CE1-CG 3.94Å; Y154-H181 AromaticContact CE1-ND1 3.86Å
155	M	94.1	Very high	95.5	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.079	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-33.6	-179	177.1	177.7	-78.4	0	0	113.5	I127 L151 L152 D153	I127-M155 HydrophobicContact CB-CE 4.39Å; I127-M155 HydrophobicContact CB-SD 4.49Å; L151-M155 HydrophobicContact CD2-CE 4.44Å; L151-M155 HydrophobicContact CD2-SD 3.71Å; L152-M155 HydrophobicContact CB-CE 4.18Å; L152-M155 HydrophobicContact CG-CE 4.38Å; L152-M155 WeakPolarHBondContact O-CB 3.48Å; L152-M155 PolarHBondContact O-N 3.31Å; D153-M155 PolarHBondContact O-N 2.95Å; D153-M155 VanDerWaalsContact O-N 3.12Å
156	F	95.4	Very high	95.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	19.4	-178.1	-52.7	-70.8	0	0	0	113.6	F132 L141 I143 L151 Y154 D158 L159 L165 A179 F180 L183	F132-F156 HydrophobicContact CD2-CD1 4.25Å; F132-F156 HydrophobicContact CE2-CD1 4.08Å; F132-F156 AromaticContact CE2-CE1 3.94Å; F132-F156 HydrophobicContact CE2-CE1 3.94Å; L141-F156 HydrophobicContact CD2-CD1 4.28Å; L141-F156 HydrophobicContact CD2-CE1 4.07Å; I143-F156 HydrophobicContact CD1-CE1 4.12Å; I143-F156 HydrophobicContact CD1-CZ 3.81Å; L151-F156 HydrophobicContact CD1-CE2 4.42Å; L151-F156 HydrophobicContact CD2-CE2 4.41Å; L151-F156 HydrophobicContact CD2-CZ 4.33Å; Y154-F156 PolarHBondContact O-N 3.12Å; Y154-F156 VanDerWaalsContact O-N 3.08Å; F156-D158 VanDerWaalsContact C-N 3.25Å; F156-D158 PolarHBondContact O-N 2.72Å; F156-L159 HydrophobicContact CB-CD1 4.37Å; F156-L159 HydrophobicContact CD1-CD1 3.93Å; F156-L159 PolarHBondContact O-N 2.94Å; F156-L159 VanDerWaalsContact O-N 3.08Å; F156-L165 HydrophobicContact CD2-CD2 4.4Å; F156-L165 HydrophobicContact CE1-CD1 4.43Å; F156-L165 HydrophobicContact CE2-CD2 4.19Å; F156-L165 HydrophobicContact CZ-CD2 4.3Å; F156-A179 WeakPolarHBondContact CD2-O 3.36Å; F156-F180 HydrophobicContact CD2-CD1 4.23Å; F156-F180 HydrophobicContact CE2-CD1 4.34Å; F156-F180 HydrophobicContact CE2-CE1 4.29Å; F156-L183 HydrophobicContact CB-CD1 3.93Å; F156-L183 HydrophobicContact CB-CD2 3.7Å; F156-L183 HydrophobicContact CB-CG 3.82Å; F156-L183 HydrophobicContact CD2-CD1 4.19Å; F156-L183 HydrophobicContact CG-CD1 4.26Å
157	Q	94.4	Very high	95.4	Very high	91 Å²	91	47.5 Å²	47.5	43%	0.425	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.6	-171	175.9	173	-25.2	0	0	113.9	Y154 L159 H181	Y154-Q157 WeakPolarHBondContact O-CB 3.37Å; Y154-Q157 PolarHBondContact O-N 2.85Å; Y154-Q157 VanDerWaalsContact O-N 3.08Å; Q157-L159 VanDerWaalsContact C-N 3.31Å; Q157-H181 WeakPolarHBondContact CA-O 3.36Å
158	D	92.6	Very high	94.8	Very high	64 Å²	64	44.3 Å²	44.3	34%	0.342	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.1	-178.2	-61.9	-47.8	0	0	0	113.5	T133 F156 Y160	T133-D158 VanDerWaalsContact CG2-OD2 3.22Å; T133-D158 WeakPolarHBondContact CG2-OD2 3.36Å; F156-D158 VanDerWaalsContact C-N 3.25Å; F156-D158 PolarHBondContact O-N 2.72Å; D158-Y160 VanDerWaalsContact C-N 3.27Å; D158-Y160 WeakPolarHBondContact O-CD1 3.21Å; D158-Y160 WeakPolarHBondContact O-CE1 3.21Å; D158-Y160 PolarHBondContact O-N 3.31Å; D158-Y160 VanDerWaalsContact O-N 3.15Å
159	L	96.3	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.			trans	-90.5	48.6	-175.9	-59	-176.9	0	0	0	111.9	F132 L135 L138 L141 F156 Q157 N161 L162 L183	F132-L159 HydrophobicContact CB-CD1 4.27Å; F132-L159 HydrophobicContact CB-CD2 3.95Å; F132-L159 HydrophobicContact CB-CG 4.11Å; F132-L159 HydrophobicContact CD2-CD1 4.11Å; F132-L159 HydrophobicContact CG-CD1 4.13Å; L135-L159 HydrophobicContact CB-CD2 3.83Å; L135-L159 WeakPolarHBondContact O-CD2 3.39Å; L138-L159 HydrophobicContact CB-CD2 4.19Å; L138-L159 HydrophobicContact CD2-CD1 4.39Å; L138-L159 HydrophobicContact CD2-CD2 3.9Å; L141-L159 HydrophobicContact CD2-CD1 3.71Å; F156-L159 HydrophobicContact CB-CD1 4.37Å; F156-L159 HydrophobicContact CD1-CD1 3.93Å; F156-L159 PolarHBondContact O-N 2.94Å; F156-L159 VanDerWaalsContact O-N 3.08Å; Q157-L159 VanDerWaalsContact C-N 3.31Å; L159-N161 VanDerWaalsContact C-N 3.28Å; L159-N161 PolarHBondContact O-N 2.78Å; L159-L162 HydrophobicContact CB-CB 4.03Å; L159-L162 HydrophobicContact CB-CD2 4.38Å; L159-L162 HydrophobicContact CD1-CD2 4.16Å; L159-L162 WeakPolarHBondContact O-CB 3.33Å; L159-L162 PolarHBondContact O-N 3.4Å; L159-L162 VanDerWaalsContact O-N 3.08Å; L159-L183 HydrophobicContact CB-CD2 3.95Å; L159-L183 WeakPolarHBondContact O-CD2 3.3Å
160	Y	95.5	Very high	93.9	Very high	105 Å²	105	43.6 Å²	43.6	41%	0.412	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.2	-170.9	52.5	-96.2	0	0	0	115.2	S136 D158 G182 S185	S136-Y160 VanDerWaalsContact CB-CZ 3.45Å; S136-Y160 WeakPolarHBondContact CB-OH 3.4Å; D158-Y160 VanDerWaalsContact C-N 3.27Å; D158-Y160 WeakPolarHBondContact O-CD1 3.21Å; D158-Y160 WeakPolarHBondContact O-CE1 3.21Å; D158-Y160 PolarHBondContact O-N 3.31Å; D158-Y160 VanDerWaalsContact O-N 3.15Å; Y160-G182 WeakPolarHBondContact CA-O 3.49Å; Y160-S185 VanDerWaalsContact O-CB 3.24Å; Y160-S185 WeakPolarHBondContact O-CB 3.48Å; Y160-S185 PolarHBondContact O-N 2.96Å; Y160-S185 PolarHBondContact O-OG 2.74Å
161	N	97.2	Very high	93.8	Very high	56 Å²	56	44.3 Å²	44.3	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.2	172.7	-67.5	-41.2	0	0	0	113.7	S136 L138 L159 R163	S136-N161 VanDerWaalsContact O-CB 3.23Å; S136-N161 WeakPolarHBondContact O-CB 3.24Å; S136-N161 PolarHBondContact O-ND2 3.31Å; L138-N161 CarbonylContact O-C 3.55Å; L138-N161 VanDerWaalsContact O-C 3.31Å; L159-N161 VanDerWaalsContact C-N 3.28Å; L159-N161 PolarHBondContact O-N 2.78Å; N161-R163 PolarHBondContact O-N 2.94Å
162	L	98.2	Very high	93.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.			trans	-62.7	130	179.8	-163.1	75.7	0	0	0	110	L138 L141 L159 L165 L183 S185 L186	L138-L162 HydrophobicContact CB-CD1 4.36Å; L138-L162 HydrophobicContact CD2-CD1 4.03Å; L138-L162 HydrophobicContact CG-CD1 4.04Å; L138-L162 WeakPolarHBondContact O-CA 3.35Å; L138-L162 PolarHBondContact O-N 3.35Å; L141-L162 HydrophobicContact CB-CD1 3.82Å; L141-L162 HydrophobicContact CB-CD2 4.21Å; L159-L162 HydrophobicContact CB-CB 4.03Å; L159-L162 HydrophobicContact CB-CD2 4.38Å; L159-L162 HydrophobicContact CD1-CD2 4.16Å; L159-L162 WeakPolarHBondContact O-CB 3.33Å; L159-L162 PolarHBondContact O-N 3.4Å; L159-L162 VanDerWaalsContact O-N 3.08Å; L162-L165 HydrophobicContact CD2-CB 3.98Å; L162-L165 HydrophobicContact CD2-CD1 4.25Å; L162-L165 HydrophobicContact CD2-CG 4.49Å; L162-L183 HydrophobicContact CB-CD2 4.01Å; L162-L183 HydrophobicContact CD2-CD2 3.8Å; L162-S185 CarbonylContact O-C 3.57Å; L162-L186 HydrophobicContact CB-CD1 4.36Å; L162-L186 HydrophobicContact CD2-CD1 3.99Å; L162-L186 HydrophobicContact CG-CD1 4.08Å; L162-L186 WeakPolarHBondContact O-CA 3.49Å; L162-L186 PolarHBondContact O-N 3.12Å
163	R	98.3	Very high	93.5	Very high	134 Å²	134	44.3 Å²	44.3	51%	0.506	21%	0.214	S	C	.	.			trans	-108	-35.7	-178.3	-62.3	-170.2	-178.2	-162.9	-0.6	112.3	T139 N161 E187 H188	T139-R163 PolarHBondContact O-N 2.79Å; N161-R163 PolarHBondContact O-N 2.94Å; R163-E187 PolarHBondContact O-N 3.13Å; R163-H188 PolarHBondContact O-N 3.11Å
164	S	98.6	Very high	93.4	Very high	25 Å²	25	46.3 Å²	46.3	18%	0.175	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.2	179.4	-164.6	0	0	0	0	110.9	T139 L141 H188	T139-S164 PolarHBondContact O-N 2.79Å; L141-S164 PolarHBondContact N-O 3.06Å; L141-S164 VanDerWaalsContact N-O 3.1Å; S164-H188 WeakPolarHBondContact CA-O 3.47Å
165	L	98.2	Very high	93.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.6	174.5	178.2	61.3	0	0	0	109.8	L141 I143 F156 L162 V167 F180 L183 L186 H188 L189 S190	L141-L165 HydrophobicContact CB-CD1 4.13Å; L141-L165 HydrophobicContact CD2-CD1 3.98Å; L141-L165 HydrophobicContact CG-CD1 4.06Å; L141-L165 WeakPolarHBondContact O-CA 3.2Å; I143-L165 HydrophobicContact CG1-CD1 4.5Å; F156-L165 HydrophobicContact CD2-CD2 4.4Å; F156-L165 HydrophobicContact CE1-CD1 4.43Å; F156-L165 HydrophobicContact CE2-CD2 4.19Å; F156-L165 HydrophobicContact CZ-CD2 4.3Å; L162-L165 HydrophobicContact CD2-CB 3.98Å; L162-L165 HydrophobicContact CD2-CD1 4.25Å; L162-L165 HydrophobicContact CD2-CG 4.49Å; L165-V167 HydrophobicContact CD1-CG2 4.02Å; L165-V167 HydrophobicContact CD2-CG2 4.03Å; L165-V167 HydrophobicContact CG-CG2 3.76Å; L165-F180 HydrophobicContact CD2-CD1 4.32Å; L165-F180 HydrophobicContact CD2-CE1 4.11Å; L165-L183 HydrophobicContact CD2-CD1 3.93Å; L165-L186 HydrophobicContact CB-CD1 3.74Å; L165-L186 HydrophobicContact CB-CD2 4.33Å; L165-H188 PolarHBondContact N-O 3.05Å; L165-L189 HydrophobicContact CB-CD1 4.17Å; L165-L189 HydrophobicContact CD2-CD1 4.08Å; L165-L189 HydrophobicContact CG-CD1 4.13Å; L165-L189 WeakPolarHBondContact O-CA 3.18Å; L165-S190 PolarHBondContact O-N 2.85Å; L165-S190 VanDerWaalsContact O-N 3.09Å
166	E	96.8	Very high	93.5	Very high	78 Å²	78	42.9 Å²	42.9	36%	0.364	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.2	173.3	-61.2	-163	-177.3	0	0	110.4	L141 D142 I143	L141-E166 PolarHBondContact O-N 3.1Å; D142-E166 HydrophobicContact CB-CB 4.42Å; I143-E166 WeakPolarHBondContact CG1-O 3.47Å; I143-E166 PolarHBondContact N-O 2.92Å
167	V	92.4	Very high	93.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	92.7	175.5	-168.1	0	0	0	0	107.9	I143 L151 L165 L172 S190 L191 E192	I143-V167 HydrophobicContact CD1-CG1 4.31Å; I143-V167 HydrophobicContact CD1-CG2 3.99Å; I143-V167 HydrophobicContact CG1-CG1 4.45Å; I143-V167 HydrophobicContact CG1-CG2 4.05Å; L151-V167 HydrophobicContact CD1-CG1 4.36Å; L165-V167 HydrophobicContact CD1-CG2 4.02Å; L165-V167 HydrophobicContact CD2-CG2 4.03Å; L165-V167 HydrophobicContact CG-CG2 3.76Å; V167-L172 HydrophobicContact CG1-CD2 4.38Å; V167-S190 CarbonylContact C-O 3.52Å; V167-S190 PolarHBondContact N-O 2.82Å; V167-L191 HydrophobicContact CB-CD2 3.75Å; V167-L191 HydrophobicContact CG1-CD2 4.45Å; V167-L191 HydrophobicContact CG2-CD2 4.28Å; V167-L191 VanDerWaalsContact O-CA 3.26Å; V167-L191 WeakPolarHBondContact O-CA 3.32Å; V167-E192 PolarHBondContact O-N 3.35Å; V167-E192 VanDerWaalsContact O-N 3.13Å
168	G	82.9	Confident	93.7	Very high	4 Å²	4	49.9 Å²	49.9	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164.6	-175.8	0	0	0	0	0	113.7	S144 E145 N170 E192	S144-G168 CarbonylContact C-O 3.46Å; S144-G168 WeakPolarHBondContact CA-O 3.5Å; E145-G168 PolarHBondContact N-O 3.17Å; G168-N170 PolarHBondContact O-N 3.23Å; G168-N170 PolarHBondContact O-ND2 3.3Å; G168-E192 CarbonylContact C-O 3.56Å; G168-E192 VanDerWaalsContact C-O 3.31Å; G168-E192 WeakPolarHBondContact CA-O 3.23Å
169	D	82.8	Confident	93.8	Very high	47 Å²	47	46.8 Å²	46.8	25%	0.251	22%	0.219	S	C	.	.	S	Bend	trans	50.9	34.5	169.6	-90.6	-63.9	0	0	0	114.2	E145 E192 K193	E145-D169 VanDerWaalsContact CA-CB 3.49Å; E145-D169 WeakPolarHBondContact CA-O 3.34Å; E145-D169 HydrophobicContact CB-CB 3.95Å; E145-D169 HydrophobicContact CG-CB 3.31Å; D169-E192 PolarHBondContact N-O 2.94Å; D169-K193 HydrophobicContact CB-CD 4.43Å; D169-K193 WeakPolarHBondContact OD1-CD 3.26Å; D169-K193 WeakPolarHBondContact OD1-CE 3.2Å; D169-K193 IonicContact OD1-NZ 3.72Å; D169-K193 PolarHBondContact OD1-NZ 3.21Å; D169-K193 VanDerWaalsContact OD2-CD 3.29Å; D169-K193 WeakPolarHBondContact OD2-CD 3.25Å; D169-K193 WeakPolarHBondContact OD2-CE 3.26Å; D169-K193 IonicContact OD2-NZ 3.96Å; D169-K193 PolarHBondContact OD2-NZ 3.42Å
170	N	86.4	Confident	93.9	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.032	22%	0.219	C	C	.	.	S	Bend	trans	-102	163.8	176.8	-86.6	-79.1	0	0	0	109.7	I143 N146 K147 I148 G168 L172	I143-N170 PolarHBondContact O-ND2 3.49Å; N146-N170 VanDerWaalsContact CA-OD1 3.26Å; N146-N170 WeakPolarHBondContact CA-OD1 3.18Å; N146-N170 WeakPolarHBondContact CB-OD1 3.5Å; N146-N170 PolarHBondContact N-OD1 2.83Å; K147-N170 PolarHBondContact N-OD1 3.43Å; I148-N170 HydrophobicContact CB-CB 4.26Å; I148-N170 WeakPolarHBondContact CB-OD1 3.06Å; I148-N170 VanDerWaalsContact CG1-OD1 3.29Å; I148-N170 WeakPolarHBondContact CG1-OD1 3.39Å; I148-N170 PolarHBondContact N-OD1 3.32Å; G168-N170 PolarHBondContact O-N 3.23Å; G168-N170 PolarHBondContact O-ND2 3.3Å; N170-L172 HydrophobicContact CB-CB 4.06Å; N170-L172 PolarHBondContact O-N 2.89Å
171	D	90.4	Very high	93.9	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	22%	0.215	S	C	.	.			trans	-78.3	34.4	171.4	-57.5	-28.7	0	0	0	110.5	K147 I148 V149 V173	K147-D171 WeakPolarHBondContact CD-OD2 3.19Å; K147-D171 IonicContact NZ-OD1 3.8Å; K147-D171 PolarHBondContact NZ-OD1 2.94Å; K147-D171 IonicContact NZ-OD2 3.24Å; I148-D171 CarbonylContact O-C 3.14Å; I148-D171 PolarHBondContact O-N 3.29Å; V149-D171 WeakPolarHBondContact CA-O 3.18Å; V149-D171 HydrophobicContact CG2-CB 4.42Å; D171-V173 WeakPolarHBondContact O-CG2 3.47Å; D171-V173 PolarHBondContact O-N 3.13Å
172	L	91.4	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.			trans	-74.3	115.5	-166.4	-173.6	70.5	0	0	0	110.3	I148 V149 L151 V167 N170 F174 I175 C194 N195	I148-L172 HydrophobicContact CG2-CD1 4.49Å; I148-L172 WeakPolarHBondContact O-CA 3.28Å; I148-L172 PolarHBondContact O-N 3.39Å; I148-L172 VanDerWaalsContact O-N 3.12Å; V149-L172 WeakPolarHBondContact O-CA 3.13Å; L151-L172 HydrophobicContact CD1-CD2 4.42Å; L151-L172 HydrophobicContact CD2-CD1 4.5Å; L151-L172 HydrophobicContact CG-CD1 3.89Å; L151-L172 HydrophobicContact CG-CD2 4.44Å; V167-L172 HydrophobicContact CG1-CD2 4.38Å; N170-L172 HydrophobicContact CB-CB 4.06Å; N170-L172 PolarHBondContact O-N 2.89Å; L172-F174 WeakPolarHBondContact CD1-O 3.26Å; L172-I175 HydrophobicContact CD1-CG1 4.44Å; L172-I175 HydrophobicContact CD2-CD1 3.84Å; L172-I175 HydrophobicContact CD2-CG1 3.8Å; L172-I175 HydrophobicContact CG-CG1 4.32Å; L172-C194 HydrophobicContact CB-CB 4.11Å; L172-C194 HydrophobicContact CD2-CB 4.22Å; L172-N195 PolarHBondContact O-N 3.08Å
173	V	91.9	Very high	93.7	Very high	78 Å²	78	43 Å²	43	47%	0.473	21%	0.206	S	C	.	.			trans	-106.8	-28	179.8	-175.2	0	0	0	0	111.6	V149 D171	V149-V173 HydrophobicContact CG1-CG2 4.48Å; V149-V173 PolarHBondContact O-N 3.15Å; D171-V173 WeakPolarHBondContact O-CG2 3.47Å; D171-V173 PolarHBondContact O-N 3.13Å
174	F	92.3	Very high	93.6	Very high	114 Å²	114	41.3 Å²	41.3	50%	0.5	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.5	-173.2	-178.5	-103	0	0	0	112.7	I150 L151 L172 A176	I150-F174 WeakPolarHBondContact CA-O 3.38Å; I150-F174 HydrophobicContact CG2-CB 4.19Å; L151-F174 PolarHBondContact N-O 2.9Å; L151-F174 VanDerWaalsContact N-O 3.17Å; L172-F174 WeakPolarHBondContact CD1-O 3.26Å; F174-A176 HydrophobicContact CE1-CB 3.98Å
175	I	95.4	Very high	93.5	Very high	9 Å²	9	42 Å²	42	5%	0.046	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118	173.4	-61.2	174.8	0	0	0	107.2	L151 L172 A179 F180 L191 L196 P200 A203	L151-I175 HydrophobicContact CB-CG2 4.34Å; L151-I175 HydrophobicContact CD1-CD1 4.35Å; L151-I175 HydrophobicContact CD1-CG1 4.1Å; L151-I175 HydrophobicContact CD1-CG2 4.31Å; L151-I175 HydrophobicContact CG-CG1 4.42Å; L172-I175 HydrophobicContact CD1-CG1 4.44Å; L172-I175 HydrophobicContact CD2-CD1 3.84Å; L172-I175 HydrophobicContact CD2-CG1 3.8Å; L172-I175 HydrophobicContact CG-CG1 4.32Å; I175-A179 HydrophobicContact CG2-CB 3.81Å; I175-F180 HydrophobicContact CD1-CZ 4.47Å; I175-F180 HydrophobicContact CG2-CE2 3.91Å; I175-F180 HydrophobicContact CG2-CZ 4.22Å; I175-L191 HydrophobicContact CD1-CD1 3.93Å; I175-L196 HydrophobicContact CD1-CD1 4Å; I175-L196 HydrophobicContact CD1-CD2 4.26Å; I175-L196 HydrophobicContact CG1-CD2 4.19Å; I175-P200 HydrophobicContact CB-CB 4.26Å; I175-P200 HydrophobicContact CD1-CB 4.29Å; I175-P200 HydrophobicContact CD1-CG 4.06Å; I175-A203 HydrophobicContact CG2-CB 3.73Å
176	A	95.9	Very high	93.5	Very high	11 Å²	11	42 Å²	42	9%	0.091	21%	0.211	C	C	.	.			trans	-66.2	154.5	178.9	0	0	0	0	0	111.7	L151 D153 F174 R178 A179	L151-A176 VanDerWaalsContact O-CB 3.22Å; L151-A176 WeakPolarHBondContact O-CB 3.22Å; L151-A176 PolarHBondContact O-N 3.45Å; D153-A176 WeakPolarHBondContact OD1-CB 3.49Å; F174-A176 HydrophobicContact CE1-CB 3.98Å; A176-R178 VanDerWaalsContact C-N 3.26Å; A176-R178 PolarHBondContact O-N 3.08Å; A176-A179 HydrophobicContact CB-CB 4.44Å; A176-A179 VanDerWaalsContact O-CB 3.25Å; A176-A179 WeakPolarHBondContact O-CB 3.39Å; A176-A179 PolarHBondContact O-N 3.15Å; A176-A179 VanDerWaalsContact O-N 3.11Å
177	H	96.3	Very high	93.6	Very high	114 Å²	114	41.1 Å²	41.1	53%	0.528	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.9	-170.7	-65	173.8	0	0	0	113.4	D153 E202 A203 H206	D153-H177 PolarHBondContact OD1-N 3.15Å; H177-E202 HydrophobicContact CB-CB 4.29Å; H177-A203 WeakPolarHBondContact O-CA 3.36Å; H177-H206 PolarHBondContact O-CE1 3.19Å; H177-H206 PolarHBondContact O-ND1 3.08Å
178	R	96.9	Very high	93.9	Very high	124 Å²	124	44.4 Å²	44.4	47%	0.468	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	21	178.5	-56	-179	-175.7	-171.2	3.1	111.7	D153 Y154 A176 F180 H181	D153-R178 HydrophobicContact CB-CB 4.09Å; D153-R178 WeakPolarHBondContact OD1-CA 3.18Å; D153-R178 WeakPolarHBondContact OD1-CB 3.29Å; D153-R178 PolarHBondContact OD1-N 3.08Å; Y154-R178 HydrophobicContact CD1-CB 4.48Å; Y154-R178 HydrophobicContact CE1-CB 4.1Å; Y154-R178 PolarHBondContact N-O 3.21Å; Y154-R178 WeakPolarHBondContact OH-CD 3.45Å; Y154-R178 PolarHBondContact OH-NH1 2.91Å; A176-R178 VanDerWaalsContact C-N 3.26Å; A176-R178 PolarHBondContact O-N 3.08Å; R178-F180 VanDerWaalsContact C-N 3.29Å; R178-F180 PolarHBondContact O-N 2.86Å; R178-H181 HydrophobicContact CB-CB 4.08Å; R178-H181 VanDerWaalsContact O-CB 3.22Å; R178-H181 WeakPolarHBondContact O-CB 3.48Å; R178-H181 PolarHBondContact O-N 2.96Å; R178-H181 VanDerWaalsContact O-N 3.12Å
179	A	96.4	Very high	94.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40.2	-179.2	0	0	0	0	0	112.9	L151 L152 F156 I175 A176	L151-A179 HydrophobicContact CB-CB 3.91Å; L152-A179 VanDerWaalsContact O-CA 3.3Å; L152-A179 WeakPolarHBondContact O-CA 3.48Å; F156-A179 WeakPolarHBondContact CD2-O 3.36Å; I175-A179 HydrophobicContact CG2-CB 3.81Å; A176-A179 HydrophobicContact CB-CB 4.44Å; A176-A179 VanDerWaalsContact O-CB 3.25Å; A176-A179 WeakPolarHBondContact O-CB 3.39Å; A176-A179 PolarHBondContact O-N 3.15Å; A176-A179 VanDerWaalsContact O-N 3.11Å
180	F	96.9	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	11.2	178.8	-57.5	-55	0	0	0	113.9	L151 F156 L165 I175 R178 G182 L183 L189 L191 A203 F204 L207	L151-F180 HydrophobicContact CD1-CE1 3.99Å; L151-F180 HydrophobicContact CD1-CZ 3.97Å; F156-F180 HydrophobicContact CD2-CD1 4.23Å; F156-F180 HydrophobicContact CE2-CD1 4.34Å; F156-F180 HydrophobicContact CE2-CE1 4.29Å; L165-F180 HydrophobicContact CD2-CD1 4.32Å; L165-F180 HydrophobicContact CD2-CE1 4.11Å; I175-F180 HydrophobicContact CD1-CZ 4.47Å; I175-F180 HydrophobicContact CG2-CE2 3.91Å; I175-F180 HydrophobicContact CG2-CZ 4.22Å; R178-F180 VanDerWaalsContact C-N 3.29Å; R178-F180 PolarHBondContact O-N 2.86Å; F180-G182 PolarHBondContact O-N 3.17Å; F180-L183 HydrophobicContact CB-CD1 4.16Å; F180-L183 HydrophobicContact CD1-CD1 3.9Å; F180-L183 HydrophobicContact CG-CD1 4.49Å; F180-L183 WeakPolarHBondContact O-CB 3.22Å; F180-L183 PolarHBondContact O-N 3.42Å; F180-L189 HydrophobicContact CE1-CD1 4.46Å; F180-L189 HydrophobicContact CE2-CD2 4.35Å; F180-L189 HydrophobicContact CZ-CD2 4.24Å; F180-L191 HydrophobicContact CZ-CD2 4.45Å; F180-A203 HydrophobicContact CD2-CB 3.85Å; F180-A203 HydrophobicContact CE2-CB 4.06Å; F180-F204 HydrophobicContact CD2-CD1 4.29Å; F180-F204 HydrophobicContact CE2-CD1 4.03Å; F180-F204 AromaticContact CE2-CE1 3.98Å; F180-F204 HydrophobicContact CE2-CE1 3.98Å; F180-L207 HydrophobicContact CB-CD1 4.37Å; F180-L207 HydrophobicContact CB-CD2 3.79Å; F180-L207 HydrophobicContact CB-CG 4.04Å; F180-L207 HydrophobicContact CD2-CD1 4.13Å; F180-L207 HydrophobicContact CG-CD1 4.26Å; F180-L207 HydrophobicContact CG-CD2 4.39Å; F180-L207 HydrophobicContact CG-CG 4.47Å
181	H	96.4	Very high	95.7	Very high	71 Å²	71	42.4 Å²	42.4	33%	0.329	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	134.3	177.6	-178.9	-82.1	0	0	0	110.8	Y154 Q157 R178 H206	Y154-H181 HydrophobicContact CD1-CB 3.98Å; Y154-H181 AromaticContact CD1-CG 3.92Å; Y154-H181 AromaticContact CD1-ND1 3.65Å; Y154-H181 HydrophobicContact CE1-CB 4.26Å; Y154-H181 AromaticContact CE1-CG 3.94Å; Y154-H181 AromaticContact CE1-ND1 3.86Å; Q157-H181 WeakPolarHBondContact CA-O 3.36Å; R178-H181 HydrophobicContact CB-CB 4.08Å; R178-H181 VanDerWaalsContact O-CB 3.22Å; R178-H181 WeakPolarHBondContact O-CB 3.48Å; R178-H181 PolarHBondContact O-N 2.96Å; R178-H181 VanDerWaalsContact O-N 3.12Å; H181-H206 AromaticContact CD2-CD2 3.95Å
182	G	94.6	Very high	95.8	Very high	10 Å²	10	40.6 Å²	40.6	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	-15.5	-178.9	0	0	0	0	0	114.6	Y160 F180 N184	Y160-G182 WeakPolarHBondContact CA-O 3.49Å; F180-G182 PolarHBondContact O-N 3.17Å; G182-N184 PolarHBondContact O-N 3.12Å
183	L	96.9	Very high	95.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.219	C	C	.	.			trans	-75.2	60.2	176.3	-67.5	-179.1	0	0	0	112.5	F156 L159 L162 L165 F180 S185 L186 L207	F156-L183 HydrophobicContact CB-CD1 3.93Å; F156-L183 HydrophobicContact CB-CD2 3.7Å; F156-L183 HydrophobicContact CB-CG 3.82Å; F156-L183 HydrophobicContact CD2-CD1 4.19Å; F156-L183 HydrophobicContact CG-CD1 4.26Å; L159-L183 HydrophobicContact CB-CD2 3.95Å; L159-L183 WeakPolarHBondContact O-CD2 3.3Å; L162-L183 HydrophobicContact CB-CD2 4.01Å; L162-L183 HydrophobicContact CD2-CD2 3.8Å; L165-L183 HydrophobicContact CD2-CD1 3.93Å; F180-L183 HydrophobicContact CB-CD1 4.16Å; F180-L183 HydrophobicContact CD1-CD1 3.9Å; F180-L183 HydrophobicContact CG-CD1 4.49Å; F180-L183 WeakPolarHBondContact O-CB 3.22Å; F180-L183 PolarHBondContact O-N 3.42Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.49Å; L183-L186 HydrophobicContact CB-CB 4.1Å; L183-L186 HydrophobicContact CD1-CD2 4.08Å; L183-L186 PolarHBondContact O-N 2.74Å; L183-L207 HydrophobicContact CB-CD2 4.01Å; L183-L207 HydrophobicContact CD1-CD2 4.42Å
184	N	94.8	Very high	95.7	Very high	97 Å²	97	41.2 Å²	41.2	52%	0.519	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.5	-169.8	-61.9	-27.3	0	0	0	113.6	G182 S209	G182-N184 PolarHBondContact O-N 3.12Å; N184-S209 VanDerWaalsContact O-CB 3.25Å; N184-S209 WeakPolarHBondContact O-CB 3.42Å; N184-S209 PolarHBondContact O-OG 3.08Å
185	S	97.4	Very high	95.6	Very high	39 Å²	39	40.2 Å²	40.2	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	7.2	-177.8	-53.8	0	0	0	0	113.6	Y160 L162 L183 E187	Y160-S185 VanDerWaalsContact O-CB 3.24Å; Y160-S185 WeakPolarHBondContact O-CB 3.48Å; Y160-S185 PolarHBondContact O-N 2.96Å; Y160-S185 PolarHBondContact O-OG 2.74Å; L162-S185 CarbonylContact O-C 3.57Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.49Å; S185-E187 PolarHBondContact O-N 3.02Å
186	L	98.3	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.			trans	-70.4	121.3	-173.7	-161.5	78.3	0	0	0	110.8	L162 L165 L183 L189 L207 S209 L210	L162-L186 HydrophobicContact CB-CD1 4.36Å; L162-L186 HydrophobicContact CD2-CD1 3.99Å; L162-L186 HydrophobicContact CG-CD1 4.08Å; L162-L186 WeakPolarHBondContact O-CA 3.49Å; L162-L186 PolarHBondContact O-N 3.12Å; L165-L186 HydrophobicContact CB-CD1 3.74Å; L165-L186 HydrophobicContact CB-CD2 4.33Å; L183-L186 HydrophobicContact CB-CB 4.1Å; L183-L186 HydrophobicContact CD1-CD2 4.08Å; L183-L186 PolarHBondContact O-N 2.74Å; L186-L189 HydrophobicContact CD2-CB 4.14Å; L186-L189 HydrophobicContact CD2-CD1 4.49Å; L186-L207 HydrophobicContact CB-CD2 4.26Å; L186-L207 HydrophobicContact CD2-CD1 4.42Å; L186-L207 HydrophobicContact CD2-CD2 3.63Å; L186-S209 CarbonylContact O-C 3.14Å; L186-L210 HydrophobicContact CD2-CD1 4.15Å; L186-L210 HydrophobicContact CG-CD1 4.32Å; L186-L210 VanDerWaalsContact O-CA 3.29Å; L186-L210 WeakPolarHBondContact O-CA 3.27Å; L186-L210 PolarHBondContact O-N 2.72Å
187	E	98.4	Very high	95.1	Very high	61 Å²	61	44.9 Å²	44.9	29%	0.285	23%	0.229	S	C	.	.			trans	-106.1	-32.4	-178.8	-69.5	177.9	-173.1	0	0	111.4	R163 S185 I211 T212	R163-E187 PolarHBondContact O-N 3.13Å; S185-E187 PolarHBondContact O-N 3.02Å; E187-I211 HydrophobicContact CB-CD1 4.09Å; E187-I211 HydrophobicContact CB-CG1 4.25Å; E187-I211 HydrophobicContact CG-CD1 3.86Å; E187-I211 HydrophobicContact CG-CG1 4.29Å; E187-I211 WeakPolarHBondContact O-CA 3.39Å; E187-I211 PolarHBondContact O-N 3.21Å; E187-T212 PolarHBondContact O-N 3.17Å
188	H	98.6	Very high	94.9	Very high	70 Å²	70	42.7 Å²	42.7	32%	0.324	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.7	-175.8	-55	-70	0	0	0	110.9	R163 S164 L165 T212	R163-H188 PolarHBondContact O-N 3.11Å; S164-H188 WeakPolarHBondContact CA-O 3.47Å; L165-H188 PolarHBondContact N-O 3.05Å; H188-T212 WeakPolarHBondContact ND1-CB 3.17Å; H188-T212 PolarHBondContact ND1-OG1 3.01Å
189	L	98.3	Very high	94.9	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.7	172.2	178.1	62.3	0	0	0	109.6	L165 F180 L186 L191 F204 L207 L210 T212 L213 R214	L165-L189 HydrophobicContact CB-CD1 4.17Å; L165-L189 HydrophobicContact CD2-CD1 4.08Å; L165-L189 HydrophobicContact CG-CD1 4.13Å; L165-L189 WeakPolarHBondContact O-CA 3.18Å; F180-L189 HydrophobicContact CE1-CD1 4.46Å; F180-L189 HydrophobicContact CE2-CD2 4.35Å; F180-L189 HydrophobicContact CZ-CD2 4.24Å; L186-L189 HydrophobicContact CD2-CB 4.14Å; L186-L189 HydrophobicContact CD2-CD1 4.49Å; L189-L191 HydrophobicContact CD1-CD2 4.09Å; L189-L191 HydrophobicContact CG-CD2 4.42Å; L189-L191 HydrophobicContact CG-CG 4.39Å; L189-F204 HydrophobicContact CD2-CD1 4.27Å; L189-F204 HydrophobicContact CD2-CE1 3.81Å; L189-L207 HydrophobicContact CD2-CD1 3.56Å; L189-L210 HydrophobicContact CB-CD1 3.74Å; L189-L210 HydrophobicContact CB-CD2 4.4Å; L189-T212 PolarHBondContact N-O 2.95Å; L189-L213 HydrophobicContact CB-CD1 4.14Å; L189-L213 HydrophobicContact CD2-CD1 3.97Å; L189-L213 HydrophobicContact CG-CD1 4.12Å; L189-R214 PolarHBondContact O-N 2.88Å
190	S	97.3	Very high	94.8	Very high	11 Å²	11	38.1 Å²	38.1	8%	0.077	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.5	171.2	-166.4	0	0	0	0	110	L165 V167 R214	L165-S190 PolarHBondContact O-N 2.85Å; L165-S190 VanDerWaalsContact O-N 3.09Å; V167-S190 CarbonylContact C-O 3.52Å; V167-S190 PolarHBondContact N-O 2.82Å; S190-R214 WeakPolarHBondContact CA-O 3.41Å
191	L	95.4	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.1	168.2	-59.7	-172.4	0	0	0	109.5	V167 I175 F180 L189 P200 F204 R214 L215 R216	V167-L191 HydrophobicContact CB-CD2 3.75Å; V167-L191 HydrophobicContact CG1-CD2 4.45Å; V167-L191 HydrophobicContact CG2-CD2 4.28Å; V167-L191 VanDerWaalsContact O-CA 3.26Å; V167-L191 WeakPolarHBondContact O-CA 3.32Å; I175-L191 HydrophobicContact CD1-CD1 3.93Å; F180-L191 HydrophobicContact CZ-CD2 4.45Å; L189-L191 HydrophobicContact CD1-CD2 4.09Å; L189-L191 HydrophobicContact CG-CD2 4.42Å; L189-L191 HydrophobicContact CG-CG 4.39Å; L191-P200 HydrophobicContact CD1-CG 4.36Å; L191-F204 HydrophobicContact CD1-CE1 3.83Å; L191-F204 HydrophobicContact CD1-CZ 3.7Å; L191-R214 PolarHBondContact N-O 3.4Å; L191-L215 HydrophobicContact CB-CD2 3.87Å; L191-L215 HydrophobicContact CD1-CD2 4.02Å; L191-L215 HydrophobicContact CG-CD2 4.14Å; L191-L215 CarbonylContact O-C 3.58Å; L191-L215 WeakPolarHBondContact O-CA 3.25Å; L191-R216 PolarHBondContact O-N 3.04Å
192	E	92.9	Very high	94.8	Very high	39 Å²	39	39.9 Å²	39.9	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.4	-175.4	179.4	160.9	-179.8	0	0	113.1	V167 G168 D169 C194 R216 H217	V167-E192 PolarHBondContact O-N 3.35Å; V167-E192 VanDerWaalsContact O-N 3.13Å; G168-E192 CarbonylContact C-O 3.56Å; G168-E192 VanDerWaalsContact C-O 3.31Å; G168-E192 WeakPolarHBondContact CA-O 3.23Å; D169-E192 PolarHBondContact N-O 2.94Å; E192-C194 PolarHBondContact O-N 3.06Å; E192-C194 VanDerWaalsContact O-N 3.15Å; E192-C194 PolarHBondContact O-SG 3.08Å; E192-C194 VanDerWaalsContact O-SG 3.39Å; E192-R216 CarbonylContact C-O 3.2Å; E192-R216 VanDerWaalsContact CA-O 3.28Å; E192-R216 WeakPolarHBondContact CA-O 3.39Å; E192-R216 HydrophobicContact CB-CB 4.17Å; E192-R216 HydrophobicContact CG-CB 3.93Å; E192-H217 HydrophobicContact CG-CB 4.46Å; E192-H217 IonicContact OE1-CE1 3.25Å; E192-H217 PolarHBondContact OE1-CE1 2.74Å; E192-H217 IonicContact OE1-CG 3.01Å; E192-H217 IonicContact OE1-ND1 2.7Å; E192-H217 PolarHBondContact OE1-ND1 3.25Å
193	K	90.8	Very high	94.9	Very high	88 Å²	88	39.5 Å²	39.5	38%	0.383	22%	0.219	S	C	.	.	S	Bend	trans	53.1	38.3	172.4	-65.4	168.8	-172	168	0	114	D169 R216 H217	D169-K193 HydrophobicContact CB-CD 4.43Å; D169-K193 WeakPolarHBondContact OD1-CD 3.26Å; D169-K193 WeakPolarHBondContact OD1-CE 3.2Å; D169-K193 IonicContact OD1-NZ 3.72Å; D169-K193 PolarHBondContact OD1-NZ 3.21Å; D169-K193 VanDerWaalsContact OD2-CD 3.29Å; D169-K193 WeakPolarHBondContact OD2-CD 3.25Å; D169-K193 WeakPolarHBondContact OD2-CE 3.26Å; D169-K193 IonicContact OD2-NZ 3.96Å; D169-K193 PolarHBondContact OD2-NZ 3.42Å; K193-R216 PolarHBondContact N-O 3.13Å; K193-H217 VanDerWaalsContact CA-O 3.29Å; K193-H217 WeakPolarHBondContact CA-O 3.14Å; K193-H217 HydrophobicContact CB-CB 4.17Å; K193-H217 HydrophobicContact CD-CB 4.48Å; K193-H217 HydrophobicContact CG-CB 3.26Å
194	C	89.8	Confident	94.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	22%	0.219	C	C	.	.			trans	-92.4	146.3	173.5	-55.3	0	0	0	0	110.2	L172 E192 L196 L218	L172-C194 HydrophobicContact CB-CB 4.11Å; L172-C194 HydrophobicContact CD2-CB 4.22Å; E192-C194 PolarHBondContact O-N 3.06Å; E192-C194 VanDerWaalsContact O-N 3.15Å; E192-C194 PolarHBondContact O-SG 3.08Å; E192-C194 VanDerWaalsContact O-SG 3.39Å; C194-L196 HydrophobicContact CB-CD1 4.1Å; C194-L196 HydrophobicContact CB-CG 3.77Å; C194-L196 PolarHBondContact O-N 2.98Å; C194-L196 VanDerWaalsContact O-N 3.15Å; C194-L218 HydrophobicContact CB-CD2 3.78Å; C194-L218 WeakPolarHBondContact O-CD2 3.24Å
195	N	90	Very high	94.9	Very high	93 Å²	93	35.3 Å²	35.3	50%	0.497	20%	0.197	S	C	.	.			trans	-91.7	52	177.2	-162.3	31.9	0	0	0	111.4	L172 N219	L172-N195 PolarHBondContact O-N 3.08Å; N195-N219 PolarHBondContact OD1-ND2 2.69Å
196	L	91.1	Very high	94.8	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.042	19%	0.194	C	C	.	.			trans	-79.4	137.6	179.7	-59.5	175.6	0	0	0	110.5	I175 C194 S198 P200	I175-L196 HydrophobicContact CD1-CD1 4Å; I175-L196 HydrophobicContact CD1-CD2 4.26Å; I175-L196 HydrophobicContact CG1-CD2 4.19Å; C194-L196 HydrophobicContact CB-CD1 4.1Å; C194-L196 HydrophobicContact CB-CG 3.77Å; C194-L196 PolarHBondContact O-N 2.98Å; C194-L196 VanDerWaalsContact O-N 3.15Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-P200 HydrophobicContact CD1-CG 4.48Å
197	S	88.8	Confident	94.8	Very high	110 Å²	110	35.7 Å²	35.7	77%	0.769	20%	0.195	S	C	*	.	S	Bend	trans	-75.3	-24.4	175.4	56.4	0	0	0	0	113.5
198	S	93.6	Very high	94.6	Very high	69 Å²	69	37.3 Å²	37.3	48%	0.483	20%	0.202	S	C	.	.	S	Bend	trans	-157.8	165.5	-177.2	58.8	0	0	0	0	110.9	L196	L196-S198 VanDerWaalsContact C-N 3.35Å
199	V	95.8	Very high	94.5	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.048	20%	0.196	C	C	.	.			trans	-59.1	129.7	171	-176	0	0	0	0	109.1	T201 F204 I220 F228 W242	V199-T201 PolarHBondContact O-N 2.86Å; V199-T201 PolarHBondContact O-OG1 3.05Å; V199-F204 HydrophobicContact CG1-CD2 4.06Å; V199-F204 HydrophobicContact CG1-CE2 3.68Å; V199-I220 HydrophobicContact CG2-CD1 4.17Å; V199-F228 HydrophobicContact CG1-CD1 4.46Å; V199-F228 HydrophobicContact CG1-CE1 3.93Å; V199-F228 HydrophobicContact CG1-CZ 4.23Å; V199-W242 HydrophobicContact CG2-CH2 3.95Å; V199-W242 HydrophobicContact CG2-CZ3 4.48Å
200	P	95.6	Very high	94.5	Very high	19 Å²	19	35.1 Å²	35.1	12%	0.123	20%	0.195	C	C	.	.			trans	-79.8	65.1	-177	34.8	-38.5	0	0	0	111.2	I175 L191 L196 E202 A203 F204	I175-P200 HydrophobicContact CB-CB 4.26Å; I175-P200 HydrophobicContact CD1-CB 4.29Å; I175-P200 HydrophobicContact CD1-CG 4.06Å; L191-P200 HydrophobicContact CD1-CG 4.36Å; L196-P200 HydrophobicContact CD1-CG 4.48Å; P200-E202 PolarHBondContact O-N 2.91Å; P200-A203 HydrophobicContact CB-CB 4.23Å; P200-A203 PolarHBondContact O-N 2.79Å; P200-A203 VanDerWaalsContact O-N 3.17Å; P200-F204 HydrophobicContact CG-CD1 4.23Å; P200-F204 HydrophobicContact CG-CD2 4.25Å; P200-F204 HydrophobicContact CG-CE1 3.66Å; P200-F204 HydrophobicContact CG-CE2 3.69Å; P200-F204 HydrophobicContact CG-CZ 3.36Å; P200-F204 PolarHBondContact O-N 2.84Å; P200-F204 VanDerWaalsContact O-N 3.12Å
201	T	96.4	Very high	94.5	Very high	25 Å²	25	37.4 Å²	37.4	15%	0.153	21%	0.206	C	C	.	.	H	α-helix	trans	-51.7	-49	-172	-53.5	0	0	0	0	113.2	V199 A203 F204 T205 Y226 S227 K229	V199-T201 PolarHBondContact O-N 2.86Å; V199-T201 PolarHBondContact O-OG1 3.05Å; T201-A203 PolarHBondContact O-N 3.06Å; T201-F204 PolarHBondContact O-N 3.47Å; T201-T205 WeakPolarHBondContact O-CG2 3.46Å; T201-T205 PolarHBondContact O-N 3.09Å; T201-Y226 WeakPolarHBondContact CG2-O 3.39Å; T201-S227 WeakPolarHBondContact CG2-O 3.17Å; T201-S227 PolarHBondContact OG1-O 3.01Å; T201-S227 VanDerWaalsContact OG1-O 3.06Å; T201-K229 HydrophobicContact CG2-CB 4.45Å; T201-K229 HydrophobicContact CG2-CD 3.96Å; T201-K229 HydrophobicContact CG2-CG 3.96Å
202	E	95.9	Very high	94.7	Very high	84 Å²	84	38 Å²	38	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-66.8	-37.4	-176.2	-63.1	-56.8	131.9	0	0	111.9	H177 P200 T205 H206 K229	H177-E202 HydrophobicContact CB-CB 4.29Å; P200-E202 PolarHBondContact O-N 2.91Å; E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.81Å; E202-H206 PolarHBondContact O-ND1 3.09Å; E202-K229 IonicContact OE1-NZ 2.69Å
203	A	96.8	Very high	94.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-44.2	175.3	0	0	0	0	0	111.8	I175 H177 F180 P200 T201 T205 H206	I175-A203 HydrophobicContact CG2-CB 3.73Å; H177-A203 WeakPolarHBondContact O-CA 3.36Å; F180-A203 HydrophobicContact CD2-CB 3.85Å; F180-A203 HydrophobicContact CE2-CB 4.06Å; P200-A203 HydrophobicContact CB-CB 4.23Å; P200-A203 PolarHBondContact O-N 2.79Å; P200-A203 VanDerWaalsContact O-N 3.17Å; T201-A203 PolarHBondContact O-N 3.06Å; A203-T205 PolarHBondContact O-N 3.35Å; A203-H206 PolarHBondContact O-N 3.21Å; A203-H206 PolarHBondContact O-ND1 3.12Å
204	F	97	Very high	95.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-23.1	178.7	-66.4	-21.7	0	0	0	114.1	F180 L189 L191 V199 P200 T201 H206 L207 L213 L215 L231	F180-F204 HydrophobicContact CD2-CD1 4.29Å; F180-F204 HydrophobicContact CE2-CD1 4.03Å; F180-F204 AromaticContact CE2-CE1 3.98Å; F180-F204 HydrophobicContact CE2-CE1 3.98Å; L189-F204 HydrophobicContact CD2-CD1 4.27Å; L189-F204 HydrophobicContact CD2-CE1 3.81Å; L191-F204 HydrophobicContact CD1-CE1 3.83Å; L191-F204 HydrophobicContact CD1-CZ 3.7Å; V199-F204 HydrophobicContact CG1-CD2 4.06Å; V199-F204 HydrophobicContact CG1-CE2 3.68Å; P200-F204 HydrophobicContact CG-CD1 4.23Å; P200-F204 HydrophobicContact CG-CD2 4.25Å; P200-F204 HydrophobicContact CG-CE1 3.66Å; P200-F204 HydrophobicContact CG-CE2 3.69Å; P200-F204 HydrophobicContact CG-CZ 3.36Å; P200-F204 PolarHBondContact O-N 2.84Å; P200-F204 VanDerWaalsContact O-N 3.12Å; T201-F204 PolarHBondContact O-N 3.47Å; F204-H206 PolarHBondContact O-N 2.98Å; F204-L207 HydrophobicContact CD1-CD1 4.11Å; F204-L207 WeakPolarHBondContact O-CB 3.48Å; F204-L207 PolarHBondContact O-N 2.81Å; F204-L213 HydrophobicContact CD2-CD2 4.31Å; F204-L213 HydrophobicContact CE1-CD1 4.42Å; F204-L213 HydrophobicContact CE2-CD2 4.01Å; F204-L213 HydrophobicContact CZ-CD1 4.18Å; F204-L213 HydrophobicContact CZ-CD2 4.38Å; F204-L215 HydrophobicContact CE2-CD2 4.39Å; F204-L215 HydrophobicContact CZ-CD2 3.91Å; F204-L231 HydrophobicContact CB-CD1 4.36Å; F204-L231 HydrophobicContact CB-CD2 4.43Å; F204-L231 VanDerWaalsContact O-CD2 3.3Å; F204-L231 WeakPolarHBondContact O-CD2 3.47Å
205	T	95.7	Very high	95.7	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.067	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18	-178.6	67.8	0	0	0	0	114.6	T201 E202 A203 H208 K229	T201-T205 WeakPolarHBondContact O-CG2 3.46Å; T201-T205 PolarHBondContact O-N 3.09Å; E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.81Å; A203-T205 PolarHBondContact O-N 3.35Å; T205-H208 PolarHBondContact O-CE1 3.11Å; T205-H208 PolarHBondContact O-ND1 3.33Å; T205-K229 HydrophobicContact CG2-CB 3.88Å
206	H	95.3	Very high	96	Very high	46 Å²	46	35.3 Å²	35.3	21%	0.213	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.5	178	-58.2	91.4	0	0	0	113.1	H177 H181 E202 A203 F204 H208	H177-H206 PolarHBondContact O-CE1 3.19Å; H177-H206 PolarHBondContact O-ND1 3.08Å; H181-H206 AromaticContact CD2-CD2 3.95Å; E202-H206 PolarHBondContact O-ND1 3.09Å; A203-H206 PolarHBondContact O-N 3.21Å; A203-H206 PolarHBondContact O-ND1 3.12Å; F204-H206 PolarHBondContact O-N 2.98Å; H206-H208 PolarHBondContact O-N 2.75Å; H206-H208 VanDerWaalsContact O-N 3.15Å
207	L	96.8	Very high	96.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.201	C	C	.	.			trans	-91.3	66.7	-174.1	-63.6	175.1	0	0	0	111.8	F180 L183 L186 L189 F204 S209 L210 L231	F180-L207 HydrophobicContact CB-CD1 4.37Å; F180-L207 HydrophobicContact CB-CD2 3.79Å; F180-L207 HydrophobicContact CB-CG 4.04Å; F180-L207 HydrophobicContact CD2-CD1 4.13Å; F180-L207 HydrophobicContact CG-CD1 4.26Å; F180-L207 HydrophobicContact CG-CD2 4.39Å; F180-L207 HydrophobicContact CG-CG 4.47Å; L183-L207 HydrophobicContact CB-CD2 4.01Å; L183-L207 HydrophobicContact CD1-CD2 4.42Å; L186-L207 HydrophobicContact CB-CD2 4.26Å; L186-L207 HydrophobicContact CD2-CD1 4.42Å; L186-L207 HydrophobicContact CD2-CD2 3.63Å; L189-L207 HydrophobicContact CD2-CD1 3.56Å; F204-L207 HydrophobicContact CD1-CD1 4.11Å; F204-L207 WeakPolarHBondContact O-CB 3.48Å; F204-L207 PolarHBondContact O-N 2.81Å; L207-S209 VanDerWaalsContact C-N 3.3Å; L207-S209 PolarHBondContact O-N 3.5Å; L207-L210 HydrophobicContact CB-CB 4.09Å; L207-L210 HydrophobicContact CB-CD2 4.34Å; L207-L210 HydrophobicContact CD1-CD2 4.12Å; L207-L210 WeakPolarHBondContact O-CB 3.49Å; L207-L210 PolarHBondContact O-N 3.15Å; L207-L231 HydrophobicContact CB-CD2 4.05Å; L207-L231 WeakPolarHBondContact O-CD2 3.5Å
208	H	93.9	Very high	96.4	Very high	95 Å²	95	33 Å²	33	44%	0.44	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.5	-172.6	-58.4	-50.6	0	0	0	114.8	T205 H206	T205-H208 PolarHBondContact O-CE1 3.11Å; T205-H208 PolarHBondContact O-ND1 3.33Å; H206-H208 PolarHBondContact O-N 2.75Å; H206-H208 VanDerWaalsContact O-N 3.15Å
209	S	96.6	Very high	96.4	Very high	27 Å²	27	33.6 Å²	33.6	19%	0.189	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.4	-178.4	-63.8	0	0	0	0	114	N184 L186 L207 I211	N184-S209 VanDerWaalsContact O-CB 3.25Å; N184-S209 WeakPolarHBondContact O-CB 3.42Å; N184-S209 PolarHBondContact O-OG 3.08Å; L186-S209 CarbonylContact O-C 3.14Å; L207-S209 VanDerWaalsContact C-N 3.3Å; L207-S209 PolarHBondContact O-N 3.5Å; S209-I211 WeakPolarHBondContact O-CG1 3.35Å; S209-I211 PolarHBondContact O-N 3.24Å
210	L	98.3	Very high	96.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.16	C	C	.	.			trans	-63.2	127.7	-170.8	-160.6	70.5	0	0	0	111.8	L186 L189 L207 L213 L231 R233 L234	L186-L210 HydrophobicContact CD2-CD1 4.15Å; L186-L210 HydrophobicContact CG-CD1 4.32Å; L186-L210 VanDerWaalsContact O-CA 3.29Å; L186-L210 WeakPolarHBondContact O-CA 3.27Å; L186-L210 PolarHBondContact O-N 2.72Å; L189-L210 HydrophobicContact CB-CD1 3.74Å; L189-L210 HydrophobicContact CB-CD2 4.4Å; L207-L210 HydrophobicContact CB-CB 4.09Å; L207-L210 HydrophobicContact CB-CD2 4.34Å; L207-L210 HydrophobicContact CD1-CD2 4.12Å; L207-L210 WeakPolarHBondContact O-CB 3.49Å; L207-L210 PolarHBondContact O-N 3.15Å; L210-L213 HydrophobicContact CD2-CB 3.97Å; L210-L213 HydrophobicContact CD2-CD1 4.16Å; L210-L213 HydrophobicContact CD2-CG 4.45Å; L210-L231 HydrophobicContact CB-CD2 4.35Å; L210-L231 HydrophobicContact CD2-CD2 4.16Å; L210-R233 CarbonylContact O-C 3.6Å; L210-L234 HydrophobicContact CB-CD1 4.42Å; L210-L234 HydrophobicContact CD2-CD1 4.01Å; L210-L234 HydrophobicContact CG-CD1 4.02Å; L210-L234 WeakPolarHBondContact O-CA 3.12Å; L210-L234 PolarHBondContact O-N 2.63Å
211	I	98.4	Very high	96.4	Very high	59 Å²	59	36.6 Å²	36.6	30%	0.303	18%	0.177	S	C	.	.			trans	-105.3	-41.4	-179.7	-57.5	179.4	0	0	0	110	E187 S209 K235 V236	E187-I211 HydrophobicContact CB-CD1 4.09Å; E187-I211 HydrophobicContact CB-CG1 4.25Å; E187-I211 HydrophobicContact CG-CD1 3.86Å; E187-I211 HydrophobicContact CG-CG1 4.29Å; E187-I211 WeakPolarHBondContact O-CA 3.39Å; E187-I211 PolarHBondContact O-N 3.21Å; S209-I211 WeakPolarHBondContact O-CG1 3.35Å; S209-I211 PolarHBondContact O-N 3.24Å; I211-K235 HydrophobicContact CG2-CB 4.2Å; I211-K235 HydrophobicContact CG2-CG 4.35Å; I211-K235 PolarHBondContact O-N 3.39Å; I211-V236 PolarHBondContact O-N 2.96Å
212	T	98.8	Very high	96.4	Very high	13 Å²	13	36.6 Å²	36.6	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.7	-177.9	-54.3	0	0	0	0	110.7	E187 H188 L189 R214 V236	E187-T212 PolarHBondContact O-N 3.17Å; H188-T212 WeakPolarHBondContact ND1-CB 3.17Å; H188-T212 PolarHBondContact ND1-OG1 3.01Å; L189-T212 PolarHBondContact N-O 2.95Å; T212-R214 HydrophobicContact CG2-CG 4.12Å; T212-V236 WeakPolarHBondContact CA-O 3.47Å; T212-V236 HydrophobicContact CG2-CB 4.04Å; T212-V236 HydrophobicContact CG2-CG1 4.09Å
213	L	98.6	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.3	172.5	179.7	59.1	0	0	0	109	L189 F204 L210 L215 F228 L231 L234 V236 L237 E238	L189-L213 HydrophobicContact CB-CD1 4.14Å; L189-L213 HydrophobicContact CD2-CD1 3.97Å; L189-L213 HydrophobicContact CG-CD1 4.12Å; F204-L213 HydrophobicContact CD2-CD2 4.31Å; F204-L213 HydrophobicContact CE1-CD1 4.42Å; F204-L213 HydrophobicContact CE2-CD2 4.01Å; F204-L213 HydrophobicContact CZ-CD1 4.18Å; F204-L213 HydrophobicContact CZ-CD2 4.38Å; L210-L213 HydrophobicContact CD2-CB 3.97Å; L210-L213 HydrophobicContact CD2-CD1 4.16Å; L210-L213 HydrophobicContact CD2-CG 4.45Å; L213-L215 HydrophobicContact CD1-CD2 3.85Å; L213-L215 HydrophobicContact CD1-CG 4.39Å; L213-L215 HydrophobicContact CD2-CD1 4.47Å; L213-L215 HydrophobicContact CG-CD2 4.15Å; L213-L215 HydrophobicContact CG-CG 4.15Å; L213-F228 HydrophobicContact CD2-CD1 4.03Å; L213-F228 HydrophobicContact CD2-CE1 3.81Å; L213-L231 HydrophobicContact CD2-CD1 4.23Å; L213-L234 HydrophobicContact CB-CD1 3.71Å; L213-L234 HydrophobicContact CB-CD2 4.3Å; L213-V236 PolarHBondContact N-O 3.2Å; L213-L237 HydrophobicContact CB-CD1 4.18Å; L213-L237 HydrophobicContact CD2-CD1 4.05Å; L213-L237 HydrophobicContact CG-CD1 4.16Å; L213-E238 PolarHBondContact O-N 2.88Å
214	R	98.4	Very high	96.5	Very high	94 Å²	94	40.9 Å²	40.9	36%	0.355	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125	174	-59.9	-173.4	173	129.4	3.4	109.6	L189 S190 L191 T212 E238	L189-R214 PolarHBondContact O-N 2.88Å; S190-R214 WeakPolarHBondContact CA-O 3.41Å; L191-R214 PolarHBondContact N-O 3.4Å; T212-R214 HydrophobicContact CG2-CG 4.12Å; R214-E238 HydrophobicContact CB-CB 4.43Å; R214-E238 WeakPolarHBondContact CD-OE2 3.33Å; R214-E238 HydrophobicContact CG-CB 4.08Å; R214-E238 IonicContact NE-OE2 2.85Å; R214-E238 PolarHBondContact NE-OE2 3.04Å
215	L	97.3	Very high	96.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	101.6	175.3	-52.5	177.3	0	0	0	108.7	L191 F204 L213 L218 F228 E238 I239 A240 W242	L191-L215 HydrophobicContact CB-CD2 3.87Å; L191-L215 HydrophobicContact CD1-CD2 4.02Å; L191-L215 HydrophobicContact CG-CD2 4.14Å; L191-L215 CarbonylContact O-C 3.58Å; L191-L215 WeakPolarHBondContact O-CA 3.25Å; F204-L215 HydrophobicContact CE2-CD2 4.39Å; F204-L215 HydrophobicContact CZ-CD2 3.91Å; L213-L215 HydrophobicContact CD1-CD2 3.85Å; L213-L215 HydrophobicContact CD1-CG 4.39Å; L213-L215 HydrophobicContact CD2-CD1 4.47Å; L213-L215 HydrophobicContact CG-CD2 4.15Å; L213-L215 HydrophobicContact CG-CG 4.15Å; L215-L218 HydrophobicContact CB-CD1 4.13Å; L215-F228 HydrophobicContact CD1-CE1 4.05Å; L215-F228 HydrophobicContact CD1-CZ 4.2Å; L215-E238 PolarHBondContact N-O 2.78Å; L215-I239 WeakPolarHBondContact O-CA 3.22Å; L215-A240 PolarHBondContact O-N 3.18Å; L215-A240 VanDerWaalsContact O-N 3.08Å; L215-W242 HydrophobicContact CB-CZ2 3.6Å; L215-W242 HydrophobicContact CD1-CH2 4.15Å; L215-W242 HydrophobicContact CD1-CZ2 3.86Å; L215-W242 HydrophobicContact CG-CZ2 4.39Å; L215-W242 PolarHBondContact O-NE1 3.34Å
216	R	96	Very high	96.5	Very high	70 Å²	70	48.6 Å²	48.6	26%	0.264	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.4	-172.7	-63.2	-174.4	175.2	164.9	-0.8	111.8	L191 E192 K193 L218 E238 A240	L191-R216 PolarHBondContact O-N 3.04Å; E192-R216 CarbonylContact C-O 3.2Å; E192-R216 VanDerWaalsContact CA-O 3.28Å; E192-R216 WeakPolarHBondContact CA-O 3.39Å; E192-R216 HydrophobicContact CB-CB 4.17Å; E192-R216 HydrophobicContact CG-CB 3.93Å; K193-R216 PolarHBondContact N-O 3.13Å; R216-L218 VanDerWaalsContact C-N 3.34Å; R216-L218 WeakPolarHBondContact O-CD2 3.35Å; R216-L218 PolarHBondContact O-N 3.4Å; R216-E238 IonicContact CZ-OE1 4Å; R216-E238 IonicContact CZ-OE2 2.92Å; R216-E238 IonicContact NE-OE1 3.48Å; R216-E238 PolarHBondContact NE-OE1 2.84Å; R216-E238 IonicContact NE-OE2 2.68Å; R216-E238 VanDerWaalsContact NH2-CD 3.27Å; R216-E238 IonicContact NH2-OE1 3.1Å; R216-E238 PolarHBondContact NH2-OE1 3.27Å; R216-E238 IonicContact NH2-OE2 2.93Å; R216-E238 PolarHBondContact NH2-OE2 3.11Å; R216-A240 CarbonylContact C-O 3.58Å; R216-A240 VanDerWaalsContact CA-O 3.26Å; R216-A240 WeakPolarHBondContact CA-O 3.32Å; R216-A240 HydrophobicContact CG-CB 4.34Å
217	H	95.3	Very high	96.6	Very high	69 Å²	69	46.9 Å²	46.9	32%	0.319	22%	0.217	S	C	.	.	S	Bend	trans	55.3	43.4	170.6	-57.8	106	0	0	0	114	E192 K193 A240 N241	E192-H217 HydrophobicContact CG-CB 4.46Å; E192-H217 IonicContact OE1-CE1 3.25Å; E192-H217 PolarHBondContact OE1-CE1 2.74Å; E192-H217 IonicContact OE1-CG 3.01Å; E192-H217 IonicContact OE1-ND1 2.7Å; E192-H217 PolarHBondContact OE1-ND1 3.25Å; K193-H217 VanDerWaalsContact CA-O 3.29Å; K193-H217 WeakPolarHBondContact CA-O 3.14Å; K193-H217 HydrophobicContact CB-CB 4.17Å; K193-H217 HydrophobicContact CD-CB 4.48Å; K193-H217 HydrophobicContact CG-CB 3.26Å; H217-A240 PolarHBondContact N-O 3.16Å; H217-N241 WeakPolarHBondContact CA-O 3.11Å; H217-N241 WeakPolarHBondContact CD2-CB 3.02Å; H217-N241 PolarHBondContact CE1-ND2 2.76Å; H217-N241 PolarHBondContact NE2-ND2 3.33Å
218	L	94.6	Very high	96.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.217	C	C	.	.			trans	-101	152.6	177.6	-52.8	-173	0	0	0	111.2	C194 L215 R216 I220 W242	C194-L218 HydrophobicContact CB-CD2 3.78Å; C194-L218 WeakPolarHBondContact O-CD2 3.24Å; L215-L218 HydrophobicContact CB-CD1 4.13Å; R216-L218 VanDerWaalsContact C-N 3.34Å; R216-L218 WeakPolarHBondContact O-CD2 3.35Å; R216-L218 PolarHBondContact O-N 3.4Å; L218-I220 VanDerWaalsContact C-N 3.27Å; L218-I220 HydrophobicContact CB-CD1 4.2Å; L218-I220 HydrophobicContact CB-CG1 4.3Å; L218-I220 HydrophobicContact CD1-CD1 3.88Å; L218-I220 PolarHBondContact O-N 3.24Å; L218-W242 HydrophobicContact CB-CD2 4.13Å; L218-W242 HydrophobicContact CB-CG 4.32Å; L218-W242 HydrophobicContact CB-CZ2 4.17Å; L218-W242 HydrophobicContact CD1-CH2 4.43Å; L218-W242 HydrophobicContact CD1-CZ2 3.6Å; L218-W242 HydrophobicContact CG-CZ2 4.15Å; L218-W242 WeakPolarHBondContact O-CA 3.34Å
219	N	93.2	Very high	96.5	Very high	80 Å²	80	46.5 Å²	46.5	43%	0.428	21%	0.214	S	C	.	.			trans	-91.4	25.9	-179.7	-67.5	-29.7	0	0	0	113.4	N195 Y244	N195-N219 PolarHBondContact OD1-ND2 2.69Å; N219-Y244 HydrophobicContact CB-CD2 4.28Å; N219-Y244 HydrophobicContact CB-CE2 4.43Å
220	I	95.3	Very high	96.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	23%	0.231	C	C	.	.			trans	-82.9	131.8	-178.2	-61.2	165.1	0	0	0	109.1	V199 L218 S222 W242 L245	V199-I220 HydrophobicContact CG2-CD1 4.17Å; L218-I220 VanDerWaalsContact C-N 3.27Å; L218-I220 HydrophobicContact CB-CD1 4.2Å; L218-I220 HydrophobicContact CB-CG1 4.3Å; L218-I220 HydrophobicContact CD1-CD1 3.88Å; L218-I220 PolarHBondContact O-N 3.24Å; I220-S222 VanDerWaalsContact CG2-O 3.27Å; I220-S222 WeakPolarHBondContact CG2-O 3.25Å; I220-W242 HydrophobicContact CB-CD2 4.41Å; I220-W242 HydrophobicContact CB-CE3 3.65Å; I220-W242 HydrophobicContact CB-CH2 4.24Å; I220-W242 HydrophobicContact CB-CZ3 3.55Å; I220-W242 HydrophobicContact CD1-CH2 3.69Å; I220-W242 HydrophobicContact CD1-CZ2 4.16Å; I220-W242 HydrophobicContact CD1-CZ3 3.91Å; I220-W242 HydrophobicContact CG1-CZ3 4.32Å; I220-W242 HydrophobicContact CG2-CE3 4.07Å; I220-W242 HydrophobicContact CG2-CH2 4.43Å; I220-W242 HydrophobicContact CG2-CZ3 3.62Å; I220-L245 PolarHBondContact O-N 3.32Å
221	N	95.8	Very high	96.2	Very high	88 Å²	88	52.2 Å²	52.2	47%	0.471	23%	0.232	S	C	.	.			trans	-95.1	-19.4	-177.6	66.6	-2	0	0	0	114.7	Y244 L245 D246 T247	N221-Y244 VanDerWaalsContact CA-O 3.26Å; N221-Y244 WeakPolarHBondContact CA-O 3.43Å; N221-Y244 WeakPolarHBondContact CB-O 3.17Å; N221-L245 WeakPolarHBondContact O-CA 3.15Å; N221-D246 PolarHBondContact O-N 2.53Å; N221-D246 VanDerWaalsContact O-OD1 3.07Å; N221-T247 PolarHBondContact O-OG1 3.08Å
222	S	96.7	Very high	95.9	Very high	26 Å²	26	56.8 Å²	56.8	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.4	-173.7	58.5	0	0	0	0	111.6	I220 T247	I220-S222 VanDerWaalsContact CG2-O 3.27Å; I220-S222 WeakPolarHBondContact CG2-O 3.25Å; S222-T247 VanDerWaalsContact CA-O 3.29Å; S222-T247 WeakPolarHBondContact CA-O 3.43Å; S222-T247 WeakPolarHBondContact CB-OG1 3.4Å
223	I	97.9	Very high	95.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.2	169.3	-52.3	173.8	0	0	0	107.6	F228 I239 W242 L245 T247 M248 T249 C252	I223-F228 HydrophobicContact CG2-CE2 4.02Å; I223-I239 HydrophobicContact CD1-CD1 3.58Å; I223-W242 HydrophobicContact CD1-CH2 4.48Å; I223-W242 HydrophobicContact CD1-CZ3 4.04Å; I223-W242 HydrophobicContact CG1-CZ3 3.88Å; I223-L245 HydrophobicContact CD1-CD1 4.28Å; I223-L245 HydrophobicContact CD1-CD2 3.99Å; I223-L245 HydrophobicContact CG1-CD1 3.85Å; I223-L245 HydrophobicContact CG1-CD2 4.43Å; I223-T247 PolarHBondContact N-O 3.48Å; I223-M248 HydrophobicContact CB-CG 4.44Å; I223-M248 HydrophobicContact CD1-CE 4.19Å; I223-M248 HydrophobicContact CD1-CG 4.39Å; I223-M248 HydrophobicContact CD1-SD 4.48Å; I223-T249 PolarHBondContact O-N 3.2Å; I223-T249 VanDerWaalsContact O-N 3.07Å; I223-T249 PolarHBondContact O-OG1 3.15Å; I223-C252 HydrophobicContact CB-CB 4.24Å; I223-C252 HydrophobicContact CG2-CB 3.75Å; I223-C252 WeakPolarHBondContact O-CB 3.27Å
224	R	96.8	Very high	95.8	Very high	175 Å²	175	63.9 Å²	63.9	66%	0.66	27%	0.272	S	S	*	.			trans	-90.5	168.1	-174.4	-61.3	-175.8	-177.1	-179.5	0.4	111.9	Y226 S227 T249 C252	R224-Y226 PolarHBondContact O-N 3.28Å; R224-S227 PolarHBondContact N-OG 3.42Å; R224-S227 WeakPolarHBondContact O-CB 3.43Å; R224-S227 PolarHBondContact O-N 2.95Å; R224-S227 PolarHBondContact O-OG 2.64Å; R224-T249 WeakPolarHBondContact CA-OG1 3.34Å; R224-C252 VanDerWaalsContact O-CA 3.26Å; R224-C252 WeakPolarHBondContact O-CA 3.47Å; R224-C252 WeakPolarHBondContact O-CB 3.41Å
225	D	97.3	Very high	95.8	Very high	67 Å²	67	62.7 Å²	62.7	36%	0.358	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	136.9	-179.2	-68.4	-25	0	0	0	111.3	S227 T249 N251	D225-S227 VanDerWaalsContact C-N 3.26Å; D225-S227 PolarHBondContact O-N 3.18Å; D225-T249 PolarHBondContact N-OG1 2.8Å; D225-T249 WeakPolarHBondContact OD1-CB 3.42Å; D225-T249 PolarHBondContact OD1-OG1 3.35Å; D225-N251 HydrophobicContact CB-CB 4.06Å; D225-N251 WeakPolarHBondContact OD1-CA 3.27Å; D225-N251 WeakPolarHBondContact OD1-CB 3.5Å; D225-N251 PolarHBondContact OD1-N 3.23Å
226	Y	96.1	Very high	95.9	Very high	106 Å²	106	64.5 Å²	64.5	42%	0.416	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	35	178.8	-39	-72.3	0	0	0	113.6	T201 R224 F228 K229 N251 Y254	T201-Y226 WeakPolarHBondContact CG2-O 3.39Å; R224-Y226 PolarHBondContact O-N 3.28Å; Y226-F228 PolarHBondContact O-N 3.23Å; Y226-K229 VanDerWaalsContact O-CE 3.27Å; Y226-K229 WeakPolarHBondContact O-CE 3.48Å; Y226-K229 VanDerWaalsContact O-CG 3.27Å; Y226-K229 WeakPolarHBondContact O-CG 3.22Å; Y226-N251 HydrophobicContact CE1-CB 4.08Å; Y226-N251 PolarHBondContact N-O 3.49Å; Y226-Y254 AromaticContact CD1-CD1 3.96Å; Y226-Y254 HydrophobicContact CD1-CD1 3.96Å; Y226-Y254 HydrophobicContact CD1-CG 4.23Å; Y226-Y254 AromaticContact CE1-CD1 3.8Å; Y226-Y254 HydrophobicContact CE1-CD1 3.8Å; Y226-Y254 HydrophobicContact CE1-CE1 4.48Å; Y226-Y254 AromaticContact CE1-CG 3.95Å; Y226-Y254 HydrophobicContact CE1-CG 3.95Å
227	S	97.4	Very high	96	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.07	27%	0.267	C	S	.	.			trans	-66.8	-19.7	175.6	-68.9	0	0	0	0	113.3	T201 R224 D225	T201-S227 WeakPolarHBondContact CG2-O 3.17Å; T201-S227 PolarHBondContact OG1-O 3.01Å; T201-S227 VanDerWaalsContact OG1-O 3.06Å; R224-S227 PolarHBondContact N-OG 3.42Å; R224-S227 WeakPolarHBondContact O-CB 3.43Å; R224-S227 PolarHBondContact O-N 2.95Å; R224-S227 PolarHBondContact O-OG 2.64Å; D225-S227 VanDerWaalsContact C-N 3.26Å; D225-S227 PolarHBondContact O-N 3.18Å
228	F	96.8	Very high	96.1	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	26%	0.259	C	S	.	.	S	Bend	trans	-123.2	86.7	-179.6	-57.8	-78.9	0	0	0	110.5	V199 L213 L215 I223 Y226 L231 L237 I239 L253 L256	V199-F228 HydrophobicContact CG1-CD1 4.46Å; V199-F228 HydrophobicContact CG1-CE1 3.93Å; V199-F228 HydrophobicContact CG1-CZ 4.23Å; L213-F228 HydrophobicContact CD2-CD1 4.03Å; L213-F228 HydrophobicContact CD2-CE1 3.81Å; L215-F228 HydrophobicContact CD1-CE1 4.05Å; L215-F228 HydrophobicContact CD1-CZ 4.2Å; I223-F228 HydrophobicContact CG2-CE2 4.02Å; Y226-F228 PolarHBondContact O-N 3.23Å; F228-L231 HydrophobicContact CB-CD1 4.23Å; F228-L231 HydrophobicContact CD1-CD1 4.16Å; F228-L237 HydrophobicContact CE1-CD1 4.12Å; F228-L237 HydrophobicContact CE2-CD2 4.09Å; F228-L237 HydrophobicContact CZ-CD1 4.19Å; F228-L237 HydrophobicContact CZ-CD2 4.12Å; F228-I239 HydrophobicContact CZ-CD1 4.38Å; F228-L253 HydrophobicContact CD2-CD2 3.98Å; F228-L253 HydrophobicContact CE2-CD2 3.86Å; F228-L256 HydrophobicContact CB-CD1 3.81Å; F228-L256 HydrophobicContact CB-CD2 3.84Å; F228-L256 HydrophobicContact CB-CG 3.95Å; F228-L256 HydrophobicContact CD2-CD1 3.99Å; F228-L256 HydrophobicContact CG-CD1 3.96Å
229	K	90.3	Very high	96.3	Very high	86 Å²	86	59.2 Å²	59.2	37%	0.374	26%	0.259	S	S	.	.			trans	-97.7	144.5	-178.4	-60.1	177.6	-170.6	165.1	0	111.3	T201 E202 T205 Y226 L231	T201-K229 HydrophobicContact CG2-CB 4.45Å; T201-K229 HydrophobicContact CG2-CD 3.96Å; T201-K229 HydrophobicContact CG2-CG 3.96Å; E202-K229 IonicContact OE1-NZ 2.69Å; T205-K229 HydrophobicContact CG2-CB 3.88Å; Y226-K229 VanDerWaalsContact O-CE 3.27Å; Y226-K229 WeakPolarHBondContact O-CE 3.48Å; Y226-K229 VanDerWaalsContact O-CG 3.27Å; Y226-K229 WeakPolarHBondContact O-CG 3.22Å; K229-L231 PolarHBondContact O-N 3.34Å; K229-L231 VanDerWaalsContact O-N 3.09Å
230	R	92.8	Very high	96.5	Very high	146 Å²	146	55.8 Å²	55.8	55%	0.551	24%	0.241	S	C	*	.	S	Bend	trans	60	16.9	171.1	-52.6	-173.3	174.8	168.6	-2.5	115.9	Y232	R230-Y232 VanDerWaalsContact C-N 3.26Å; R230-Y232 HydrophobicContact CB-CE2 3.96Å; R230-Y232 HydrophobicContact CG-CE2 4.45Å; R230-Y232 WeakPolarHBondContact O-CD2 3.33Å; R230-Y232 PolarHBondContact O-N 2.73Å
231	L	96.3	Very high	96.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	25%	0.251	C	S	.	.			trans	-88.4	57.8	173.1	-63.5	179.6	0	0	0	110.8	F204 L207 L210 L213 F228 K229 R233 L234 L256	F204-L231 HydrophobicContact CB-CD1 4.36Å; F204-L231 HydrophobicContact CB-CD2 4.43Å; F204-L231 VanDerWaalsContact O-CD2 3.3Å; F204-L231 WeakPolarHBondContact O-CD2 3.47Å; L207-L231 HydrophobicContact CB-CD2 4.05Å; L207-L231 WeakPolarHBondContact O-CD2 3.5Å; L210-L231 HydrophobicContact CB-CD2 4.35Å; L210-L231 HydrophobicContact CD2-CD2 4.16Å; L213-L231 HydrophobicContact CD2-CD1 4.23Å; F228-L231 HydrophobicContact CB-CD1 4.23Å; F228-L231 HydrophobicContact CD1-CD1 4.16Å; K229-L231 PolarHBondContact O-N 3.34Å; K229-L231 VanDerWaalsContact O-N 3.09Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.19Å; L231-L234 HydrophobicContact CB-CB 4.05Å; L231-L234 HydrophobicContact CB-CD2 4.44Å; L231-L234 HydrophobicContact CD1-CD2 4.12Å; L231-L234 WeakPolarHBondContact O-CB 3.31Å; L231-L234 PolarHBondContact O-N 3.39Å; L231-L234 VanDerWaalsContact O-N 3.16Å; L231-L256 HydrophobicContact CB-CD2 4.01Å
232	Y	92.2	Very high	96.7	Very high	156 Å²	156	53.4 Å²	53.4	61%	0.612	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.4	-168	-52.7	-62.9	0	0	0	114.3	R230	R230-Y232 VanDerWaalsContact C-N 3.26Å; R230-Y232 HydrophobicContact CB-CE2 3.96Å; R230-Y232 HydrophobicContact CG-CE2 4.45Å; R230-Y232 WeakPolarHBondContact O-CD2 3.33Å; R230-Y232 PolarHBondContact O-N 2.73Å
233	R	96.9	Very high	96.6	Very high	161 Å²	161	55.6 Å²	55.6	61%	0.608	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.9	179.4	-72.4	-171.5	170.6	-170	0.7	113.8	L210 L231 K235	L210-R233 CarbonylContact O-C 3.6Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.19Å; R233-K235 WeakPolarHBondContact O-CG 3.36Å; R233-K235 PolarHBondContact O-N 2.97Å
234	L	98.4	Very high	96.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	27%	0.268	C	S	.	.			trans	-63.4	127.2	-175.4	-164.6	74.4	0	0	0	110.6	L210 L213 L231 L237 L256 L258	L210-L234 HydrophobicContact CB-CD1 4.42Å; L210-L234 HydrophobicContact CD2-CD1 4.01Å; L210-L234 HydrophobicContact CG-CD1 4.02Å; L210-L234 WeakPolarHBondContact O-CA 3.12Å; L210-L234 PolarHBondContact O-N 2.63Å; L213-L234 HydrophobicContact CB-CD1 3.71Å; L213-L234 HydrophobicContact CB-CD2 4.3Å; L231-L234 HydrophobicContact CB-CB 4.05Å; L231-L234 HydrophobicContact CB-CD2 4.44Å; L231-L234 HydrophobicContact CD1-CD2 4.12Å; L231-L234 WeakPolarHBondContact O-CB 3.31Å; L231-L234 PolarHBondContact O-N 3.39Å; L231-L234 VanDerWaalsContact O-N 3.16Å; L234-L237 HydrophobicContact CD2-CB 4.42Å; L234-L256 HydrophobicContact CB-CD2 4.35Å; L234-L256 HydrophobicContact CD2-CD1 4.32Å; L234-L256 HydrophobicContact CD2-CD2 3.82Å; L234-L258 HydrophobicContact CB-CD2 4.41Å; L234-L258 HydrophobicContact CD2-CD2 4.01Å; L234-L258 HydrophobicContact CG-CD2 4.02Å
235	K	98.4	Very high	96.6	Very high	69 Å²	69	54 Å²	54	30%	0.3	24%	0.237	S	C	.	.			trans	-116.9	-31.8	179.7	-64.5	-62.7	156	-159.4	0	112.9	I211 R233 N257 T259 S260	I211-K235 HydrophobicContact CG2-CB 4.2Å; I211-K235 HydrophobicContact CG2-CG 4.35Å; I211-K235 PolarHBondContact O-N 3.39Å; R233-K235 WeakPolarHBondContact O-CG 3.36Å; R233-K235 PolarHBondContact O-N 2.97Å; K235-N257 PolarHBondContact NZ-O 2.86Å; K235-T259 HydrophobicContact CD-CG2 4.01Å; K235-T259 PolarHBondContact O-N 2.95Å; K235-T259 PolarHBondContact O-OG1 3.12Å; K235-S260 PolarHBondContact O-N 2.93Å
236	V	98.8	Very high	96.5	Very high	39 Å²	39	54.5 Å²	54.5	24%	0.236	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.6	-177.7	-174.5	0	0	0	0	108.8	I211 T212 L213 S260	I211-V236 PolarHBondContact O-N 2.96Å; T212-V236 WeakPolarHBondContact CA-O 3.47Å; T212-V236 HydrophobicContact CG2-CB 4.04Å; T212-V236 HydrophobicContact CG2-CG1 4.09Å; L213-V236 PolarHBondContact N-O 3.2Å; V236-S260 WeakPolarHBondContact CA-O 3.32Å
237	L	98.8	Very high	96.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.4	170.1	177.9	61.5	0	0	0	108.8	L213 F228 L234 I239 L253 L256 L258 S260 L261 T262	L213-L237 HydrophobicContact CB-CD1 4.18Å; L213-L237 HydrophobicContact CD2-CD1 4.05Å; L213-L237 HydrophobicContact CG-CD1 4.16Å; F228-L237 HydrophobicContact CE1-CD1 4.12Å; F228-L237 HydrophobicContact CE2-CD2 4.09Å; F228-L237 HydrophobicContact CZ-CD1 4.19Å; F228-L237 HydrophobicContact CZ-CD2 4.12Å; L234-L237 HydrophobicContact CD2-CB 4.42Å; L237-I239 HydrophobicContact CD1-CD1 4.47Å; L237-I239 HydrophobicContact CD1-CG1 4.34Å; L237-I239 HydrophobicContact CD2-CD1 4.06Å; L237-I239 HydrophobicContact CG-CD1 4.21Å; L237-I239 HydrophobicContact CG-CG1 4.38Å; L237-L253 HydrophobicContact CD2-CD2 3.81Å; L237-L256 HydrophobicContact CD2-CD1 3.94Å; L237-L258 HydrophobicContact CB-CD1 3.78Å; L237-L258 HydrophobicContact CB-CD2 4.04Å; L237-L258 HydrophobicContact CD2-CD1 4.2Å; L237-S260 PolarHBondContact N-O 3.17Å; L237-S260 VanDerWaalsContact N-O 3.12Å; L237-L261 HydrophobicContact CB-CD1 4.02Å; L237-L261 HydrophobicContact CD2-CD1 3.96Å; L237-L261 HydrophobicContact CG-CD1 4.06Å; L237-L261 WeakPolarHBondContact O-CA 3.42Å; L237-T262 PolarHBondContact O-N 3.33Å
238	E	98.6	Very high	96.6	Very high	30 Å²	30	53.6 Å²	53.6	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.1	175.4	-173.9	-175.5	155.2	0	0	109.4	L213 R214 L215 R216 A240 T262	L213-E238 PolarHBondContact O-N 2.88Å; R214-E238 HydrophobicContact CB-CB 4.43Å; R214-E238 WeakPolarHBondContact CD-OE2 3.33Å; R214-E238 HydrophobicContact CG-CB 4.08Å; R214-E238 IonicContact NE-OE2 2.85Å; R214-E238 PolarHBondContact NE-OE2 3.04Å; L215-E238 PolarHBondContact N-O 2.78Å; R216-E238 IonicContact CZ-OE1 4Å; R216-E238 IonicContact CZ-OE2 2.92Å; R216-E238 IonicContact NE-OE1 3.48Å; R216-E238 PolarHBondContact NE-OE1 2.84Å; R216-E238 IonicContact NE-OE2 2.68Å; R216-E238 VanDerWaalsContact NH2-CD 3.27Å; R216-E238 IonicContact NH2-OE1 3.1Å; R216-E238 PolarHBondContact NH2-OE1 3.27Å; R216-E238 IonicContact NH2-OE2 2.93Å; R216-E238 PolarHBondContact NH2-OE2 3.11Å; E238-A240 HydrophobicContact CG-CB 4.4Å; E238-T262 HydrophobicContact CG-CG2 4.13Å
239	I	98.2	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111	170.7	-67	157.4	0	0	0	105.6	L215 I223 F228 L237 W242 L245 T262 I263 A264	L215-I239 WeakPolarHBondContact O-CA 3.22Å; I223-I239 HydrophobicContact CD1-CD1 3.58Å; F228-I239 HydrophobicContact CZ-CD1 4.38Å; L237-I239 HydrophobicContact CD1-CD1 4.47Å; L237-I239 HydrophobicContact CD1-CG1 4.34Å; L237-I239 HydrophobicContact CD2-CD1 4.06Å; L237-I239 HydrophobicContact CG-CD1 4.21Å; L237-I239 HydrophobicContact CG-CG1 4.38Å; I239-W242 HydrophobicContact CG1-CZ2 4.45Å; I239-W242 HydrophobicContact CG2-CD2 3.72Å; I239-W242 HydrophobicContact CG2-CE3 4.06Å; I239-W242 HydrophobicContact CG2-CG 4.07Å; I239-W242 HydrophobicContact CG2-CH2 4.31Å; I239-W242 HydrophobicContact CG2-CZ2 3.99Å; I239-W242 HydrophobicContact CG2-CZ3 4.35Å; I239-L245 HydrophobicContact CG2-CD2 3.99Å; I239-T262 PolarHBondContact N-O 3.26Å; I239-I263 HydrophobicContact CB-CG1 4.49Å; I239-I263 HydrophobicContact CD1-CG1 4.48Å; I239-I263 HydrophobicContact CG2-CG2 4.42Å; I239-I263 CarbonylContact O-C 3.09Å; I239-I263 WeakPolarHBondContact O-CA 3.44Å; I239-A264 PolarHBondContact O-N 3.3Å
240	A	97.7	Very high	96.8	Very high	7 Å²	7	55.2 Å²	55.2	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.4	-176.2	0	0	0	0	0	112.5	L215 R216 H217 E238 W242 A264	L215-A240 PolarHBondContact O-N 3.18Å; L215-A240 VanDerWaalsContact O-N 3.08Å; R216-A240 CarbonylContact C-O 3.58Å; R216-A240 VanDerWaalsContact CA-O 3.26Å; R216-A240 WeakPolarHBondContact CA-O 3.32Å; R216-A240 HydrophobicContact CG-CB 4.34Å; H217-A240 PolarHBondContact N-O 3.16Å; E238-A240 HydrophobicContact CG-CB 4.4Å; A240-W242 VanDerWaalsContact O-CD1 3.25Å; A240-A264 CarbonylContact C-O 3.43Å; A240-A264 VanDerWaalsContact CA-O 3.24Å; A240-A264 WeakPolarHBondContact CA-O 3.27Å
241	N	97.1	Very high	97.1	Very high	41 Å²	41	50.6 Å²	50.6	22%	0.219	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.1	45.8	176.1	-48.7	-37.5	0	0	0	112.5	H217 P243 A264 N265	H217-N241 WeakPolarHBondContact CA-O 3.11Å; H217-N241 WeakPolarHBondContact CD2-CB 3.02Å; H217-N241 PolarHBondContact CE1-ND2 2.76Å; H217-N241 PolarHBondContact NE2-ND2 3.33Å; N241-P243 WeakPolarHBondContact O-CD 3.39Å; N241-A264 PolarHBondContact N-O 3.39Å; N241-N265 CarbonylContact C-O 3.47Å; N241-N265 VanDerWaalsContact CA-O 3.25Å; N241-N265 WeakPolarHBondContact CA-O 3.47Å; N241-N265 PolarHBondContact N-O 3.48Å; N241-N265 VanDerWaalsContact OD1-CB 3.27Å; N241-N265 WeakPolarHBondContact OD1-CB 3.36Å; N241-N265 PolarHBondContact OD1-ND2 2.82Å
242	W	97.1	Very high	97.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	86.7	172.3	-69.4	23.5	0	0	0	108.6	V199 L215 L218 I220 I223 I239 A240 Y244 L245 N265 T266	V199-W242 HydrophobicContact CG2-CH2 3.95Å; V199-W242 HydrophobicContact CG2-CZ3 4.48Å; L215-W242 HydrophobicContact CB-CZ2 3.6Å; L215-W242 HydrophobicContact CD1-CH2 4.15Å; L215-W242 HydrophobicContact CD1-CZ2 3.86Å; L215-W242 HydrophobicContact CG-CZ2 4.39Å; L215-W242 PolarHBondContact O-NE1 3.34Å; L218-W242 HydrophobicContact CB-CD2 4.13Å; L218-W242 HydrophobicContact CB-CG 4.32Å; L218-W242 HydrophobicContact CB-CZ2 4.17Å; L218-W242 HydrophobicContact CD1-CH2 4.43Å; L218-W242 HydrophobicContact CD1-CZ2 3.6Å; L218-W242 HydrophobicContact CG-CZ2 4.15Å; L218-W242 WeakPolarHBondContact O-CA 3.34Å; I220-W242 HydrophobicContact CB-CD2 4.41Å; I220-W242 HydrophobicContact CB-CE3 3.65Å; I220-W242 HydrophobicContact CB-CH2 4.24Å; I220-W242 HydrophobicContact CB-CZ3 3.55Å; I220-W242 HydrophobicContact CD1-CH2 3.69Å; I220-W242 HydrophobicContact CD1-CZ2 4.16Å; I220-W242 HydrophobicContact CD1-CZ3 3.91Å; I220-W242 HydrophobicContact CG1-CZ3 4.32Å; I220-W242 HydrophobicContact CG2-CE3 4.07Å; I220-W242 HydrophobicContact CG2-CH2 4.43Å; I220-W242 HydrophobicContact CG2-CZ3 3.62Å; I223-W242 HydrophobicContact CD1-CH2 4.48Å; I223-W242 HydrophobicContact CD1-CZ3 4.04Å; I223-W242 HydrophobicContact CG1-CZ3 3.88Å; I239-W242 HydrophobicContact CG1-CZ2 4.45Å; I239-W242 HydrophobicContact CG2-CD2 3.72Å; I239-W242 HydrophobicContact CG2-CE3 4.06Å; I239-W242 HydrophobicContact CG2-CG 4.07Å; I239-W242 HydrophobicContact CG2-CH2 4.31Å; I239-W242 HydrophobicContact CG2-CZ2 3.99Å; I239-W242 HydrophobicContact CG2-CZ3 4.35Å; A240-W242 VanDerWaalsContact O-CD1 3.25Å; W242-Y244 PolarHBondContact O-N 3.4Å; W242-Y244 VanDerWaalsContact O-N 3.09Å; W242-L245 HydrophobicContact CB-CB 3.72Å; W242-L245 HydrophobicContact CB-CD2 4.45Å; W242-L245 HydrophobicContact CD2-CD2 4.48Å; W242-L245 HydrophobicContact CE3-CB 4.11Å; W242-L245 HydrophobicContact CE3-CD1 4.33Å; W242-L245 HydrophobicContact CE3-CD2 3.83Å; W242-L245 HydrophobicContact CE3-CG 4.31Å; W242-L245 HydrophobicContact CZ3-CD2 4.41Å; W242-L245 PolarHBondContact O-N 2.96Å; W242-N265 PolarHBondContact N-O 2.73Å; W242-T266 HydrophobicContact CB-CG2 3.95Å; W242-T266 WeakPolarHBondContact O-CA 3.46Å; W242-T266 WeakPolarHBondContact O-CB 3.46Å
243	P	95.6	Very high	97.4	Very high	72 Å²	72	43 Å²	43	47%	0.468	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.1	-167.9	26.2	-35.9	0	0	0	113.6	N241	N241-P243 WeakPolarHBondContact O-CD 3.39Å
244	Y	96.3	Very high	97.3	Very high	140 Å²	140	41.8 Å²	41.8	55%	0.549	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-7	179.7	-55.6	-66.6	0	0	0	113.6	N219 N221 W242 D246	N219-Y244 HydrophobicContact CB-CD2 4.28Å; N219-Y244 HydrophobicContact CB-CE2 4.43Å; N221-Y244 VanDerWaalsContact CA-O 3.26Å; N221-Y244 WeakPolarHBondContact CA-O 3.43Å; N221-Y244 WeakPolarHBondContact CB-O 3.17Å; W242-Y244 PolarHBondContact O-N 3.4Å; W242-Y244 VanDerWaalsContact O-N 3.09Å; Y244-D246 PolarHBondContact O-N 2.87Å; Y244-D246 VanDerWaalsContact O-N 3.12Å
245	L	97.6	Very high	97	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.			trans	-72.6	106.8	-177.5	177	66.2	0	0	0	110.4	I220 N221 I223 I239 W242 I263 T266 N267 L268	I220-L245 PolarHBondContact O-N 3.32Å; N221-L245 WeakPolarHBondContact O-CA 3.15Å; I223-L245 HydrophobicContact CD1-CD1 4.28Å; I223-L245 HydrophobicContact CD1-CD2 3.99Å; I223-L245 HydrophobicContact CG1-CD1 3.85Å; I223-L245 HydrophobicContact CG1-CD2 4.43Å; I239-L245 HydrophobicContact CG2-CD2 3.99Å; W242-L245 HydrophobicContact CB-CB 3.72Å; W242-L245 HydrophobicContact CB-CD2 4.45Å; W242-L245 HydrophobicContact CD2-CD2 4.48Å; W242-L245 HydrophobicContact CE3-CB 4.11Å; W242-L245 HydrophobicContact CE3-CD1 4.33Å; W242-L245 HydrophobicContact CE3-CD2 3.83Å; W242-L245 HydrophobicContact CE3-CG 4.31Å; W242-L245 HydrophobicContact CZ3-CD2 4.41Å; W242-L245 PolarHBondContact O-N 2.96Å; L245-I263 HydrophobicContact CD2-CG2 4.37Å; L245-T266 HydrophobicContact CB-CG2 4.42Å; L245-T266 HydrophobicContact CD2-CG2 4.11Å; L245-N267 CarbonylContact O-C 3.41Å; L245-N267 VanDerWaalsContact O-C 3.26Å; L245-N267 VanDerWaalsContact O-CA 3.26Å; L245-N267 WeakPolarHBondContact O-CA 3.47Å; L245-N267 WeakPolarHBondContact O-CB 3.42Å; L245-N267 PolarHBondContact O-N 3.31Å; L245-L268 PolarHBondContact O-N 2.97Å
246	D	96.2	Very high	96.9	Very high	78 Å²	78	41.1 Å²	41.1	42%	0.417	22%	0.224	S	C	.	.			trans	-119.6	-16.8	179.2	65.4	-6.2	0	0	0	112.9	N221 Y244 N267	N221-D246 PolarHBondContact O-N 2.53Å; N221-D246 VanDerWaalsContact O-OD1 3.07Å; Y244-D246 PolarHBondContact O-N 2.87Å; Y244-D246 VanDerWaalsContact O-N 3.12Å; D246-N267 HydrophobicContact CB-CB 4.41Å
247	T	95.9	Very high	96.7	Very high	67 Å²	67	42.1 Å²	42.1	41%	0.411	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.3	-169.2	44	0	0	0	0	112.4	N221 S222 I223	N221-T247 PolarHBondContact O-OG1 3.08Å; S222-T247 VanDerWaalsContact CA-O 3.29Å; S222-T247 WeakPolarHBondContact CA-O 3.43Å; S222-T247 WeakPolarHBondContact CB-OG1 3.4Å; I223-T247 PolarHBondContact N-O 3.48Å
248	M	97.8	Very high	96.7	Very high	30 Å²	30	42.1 Å²	42.1	15%	0.148	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.1	170.9	-68.6	-175.5	67.6	0	0	108.8	I223 C252 L253 I263 L268 P272	I223-M248 HydrophobicContact CB-CG 4.44Å; I223-M248 HydrophobicContact CD1-CE 4.19Å; I223-M248 HydrophobicContact CD1-CG 4.39Å; I223-M248 HydrophobicContact CD1-SD 4.48Å; M248-C252 VanDerWaalsContact CE-SG 3.56Å; M248-L253 HydrophobicContact CE-CD1 4.19Å; M248-L253 HydrophobicContact CE-CD2 4.36Å; M248-L253 HydrophobicContact CE-CG 4.23Å; M248-I263 HydrophobicContact CE-CD1 3.8Å; M248-I263 HydrophobicContact SD-CD1 3.78Å; M248-L268 HydrophobicContact CG-CD2 4.28Å; M248-L268 HydrophobicContact SD-CD1 4.12Å; M248-L268 HydrophobicContact SD-CD2 4.49Å; M248-P272 HydrophobicContact CB-CB 4.23Å; M248-P272 HydrophobicContact SD-CB 4.3Å; M248-P272 HydrophobicContact SD-CG 3.99Å
249	T	97.1	Very high	96.7	Very high	51 Å²	51	42.8 Å²	42.8	31%	0.313	24%	0.235	S	C	.	.			trans	-74.7	165	179.1	62.6	0	0	0	0	111.3	I223 R224 D225 N251 C252	I223-T249 PolarHBondContact O-N 3.2Å; I223-T249 VanDerWaalsContact O-N 3.07Å; I223-T249 PolarHBondContact O-OG1 3.15Å; R224-T249 WeakPolarHBondContact CA-OG1 3.34Å; D225-T249 PolarHBondContact N-OG1 2.8Å; D225-T249 WeakPolarHBondContact OD1-CB 3.42Å; D225-T249 PolarHBondContact OD1-OG1 3.35Å; T249-N251 VanDerWaalsContact C-N 3.35Å; T249-N251 PolarHBondContact O-N 2.96Å; T249-C252 WeakPolarHBondContact O-CB 3.49Å; T249-C252 PolarHBondContact O-N 3.42Å; T249-C252 PolarHBondContact O-SG 2.84Å
250	T	95.9	Very high	96.7	Very high	70 Å²	70	43.9 Å²	43.9	43%	0.429	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-37.8	-170.1	52.4	0	0	0	0	113.7	V274 A275	T250-V274 HydrophobicContact CG2-CB 4.25Å; T250-V274 HydrophobicContact CG2-CG1 3.75Å; T250-A275 WeakPolarHBondContact O-CA 3.16Å
251	N	97.3	Very high	96.8	Very high	49 Å²	49	43.5 Å²	43.5	26%	0.262	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	20.8	-177.4	-63.7	-40.3	0	0	0	112.2	D225 Y226 T249 L253 Y254	D225-N251 HydrophobicContact CB-CB 4.06Å; D225-N251 WeakPolarHBondContact OD1-CA 3.27Å; D225-N251 WeakPolarHBondContact OD1-CB 3.5Å; D225-N251 PolarHBondContact OD1-N 3.23Å; Y226-N251 HydrophobicContact CE1-CB 4.08Å; Y226-N251 PolarHBondContact N-O 3.49Å; T249-N251 VanDerWaalsContact C-N 3.35Å; T249-N251 PolarHBondContact O-N 2.96Å; N251-L253 VanDerWaalsContact C-N 3.29Å; N251-L253 PolarHBondContact O-N 3.49Å; N251-Y254 VanDerWaalsContact O-CB 3.22Å; N251-Y254 WeakPolarHBondContact O-CB 3.29Å; N251-Y254 PolarHBondContact O-N 3.4Å; N251-Y254 VanDerWaalsContact O-N 3.14Å
252	C	97.7	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.3	-176.4	67	0	0	0	0	113.7	I223 R224 M248 T249	I223-C252 HydrophobicContact CB-CB 4.24Å; I223-C252 HydrophobicContact CG2-CB 3.75Å; I223-C252 WeakPolarHBondContact O-CB 3.27Å; R224-C252 VanDerWaalsContact O-CA 3.26Å; R224-C252 WeakPolarHBondContact O-CA 3.47Å; R224-C252 WeakPolarHBondContact O-CB 3.41Å; M248-C252 VanDerWaalsContact CE-SG 3.56Å; T249-C252 WeakPolarHBondContact O-CB 3.49Å; T249-C252 PolarHBondContact O-N 3.42Å; T249-C252 PolarHBondContact O-SG 2.84Å
253	L	97.2	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.2	177.1	-56.8	-179	0	0	0	113.2	F228 L237 M248 N251 G255 L256 L261 L276 H278 L279	F228-L253 HydrophobicContact CD2-CD2 3.98Å; F228-L253 HydrophobicContact CE2-CD2 3.86Å; L237-L253 HydrophobicContact CD2-CD2 3.81Å; M248-L253 HydrophobicContact CE-CD1 4.19Å; M248-L253 HydrophobicContact CE-CD2 4.36Å; M248-L253 HydrophobicContact CE-CG 4.23Å; N251-L253 VanDerWaalsContact C-N 3.29Å; N251-L253 PolarHBondContact O-N 3.49Å; L253-G255 PolarHBondContact O-N 3.01Å; L253-L256 HydrophobicContact CB-CD1 4.4Å; L253-L256 HydrophobicContact CD2-CD1 4.14Å; L253-L256 WeakPolarHBondContact O-CB 3.24Å; L253-L256 PolarHBondContact O-N 3.12Å; L253-L261 HydrophobicContact CD1-CD2 3.97Å; L253-L276 HydrophobicContact CD1-CD2 4.19Å; L253-H278 PolarHBondContact O-CE1 3.2Å; L253-H278 PolarHBondContact O-NE2 3.23Å; L253-L279 HydrophobicContact CD1-CD1 4.14Å
254	Y	94.9	Very high	97	Very high	135 Å²	135	39.5 Å²	39.5	53%	0.529	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	136.7	-176.3	-173	-86.6	0	0	0	111.5	Y226 N251 L256	Y226-Y254 AromaticContact CD1-CD1 3.96Å; Y226-Y254 HydrophobicContact CD1-CD1 3.96Å; Y226-Y254 HydrophobicContact CD1-CG 4.23Å; Y226-Y254 AromaticContact CE1-CD1 3.8Å; Y226-Y254 HydrophobicContact CE1-CD1 3.8Å; Y226-Y254 HydrophobicContact CE1-CE1 4.48Å; Y226-Y254 AromaticContact CE1-CG 3.95Å; Y226-Y254 HydrophobicContact CE1-CG 3.95Å; N251-Y254 VanDerWaalsContact O-CB 3.22Å; N251-Y254 WeakPolarHBondContact O-CB 3.29Å; N251-Y254 PolarHBondContact O-N 3.4Å; N251-Y254 VanDerWaalsContact O-N 3.14Å; Y254-L256 VanDerWaalsContact C-N 3.3Å
255	G	91.9	Very high	97.1	Very high	49 Å²	49	36.6 Å²	36.6	51%	0.505	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-10.4	-177.7	0	0	0	0	0	114.4	L253	L253-G255 PolarHBondContact O-N 3.01Å
256	L	96.4	Very high	97.1	Very high	5 Å²	5	37 Å²	37	3%	0.026	21%	0.213	C	C	.	.			trans	-83.3	141.8	171.8	-59.5	-176.5	0	0	0	111.4	F228 L231 L234 L237 L253 Y254 L258 L279	F228-L256 HydrophobicContact CB-CD1 3.81Å; F228-L256 HydrophobicContact CB-CD2 3.84Å; F228-L256 HydrophobicContact CB-CG 3.95Å; F228-L256 HydrophobicContact CD2-CD1 3.99Å; F228-L256 HydrophobicContact CG-CD1 3.96Å; L231-L256 HydrophobicContact CB-CD2 4.01Å; L234-L256 HydrophobicContact CB-CD2 4.35Å; L234-L256 HydrophobicContact CD2-CD1 4.32Å; L234-L256 HydrophobicContact CD2-CD2 3.82Å; L237-L256 HydrophobicContact CD2-CD1 3.94Å; L253-L256 HydrophobicContact CB-CD1 4.4Å; L253-L256 HydrophobicContact CD2-CD1 4.14Å; L253-L256 WeakPolarHBondContact O-CB 3.24Å; L253-L256 PolarHBondContact O-N 3.12Å; Y254-L256 VanDerWaalsContact C-N 3.3Å; L256-L258 HydrophobicContact CB-CD1 4.45Å; L256-L258 HydrophobicContact CB-CD2 4.24Å; L256-L258 HydrophobicContact CB-CG 4Å; L256-L258 HydrophobicContact CD1-CD1 4.21Å; L256-L258 HydrophobicContact CD1-CD2 4.39Å; L256-L258 HydrophobicContact CD1-CG 4.46Å; L256-L279 WeakPolarHBondContact O-CD2 3.33Å
257	N	95.9	Very high	97.2	Very high	60 Å²	60	36.9 Å²	36.9	32%	0.321	21%	0.212	S	C	.	.			trans	-127.1	72.6	174.2	-174.4	2.6	0	0	0	110	K235 Y281	K235-N257 PolarHBondContact NZ-O 2.86Å; N257-Y281 WeakPolarHBondContact OD1-CB 3.02Å; N257-Y281 WeakPolarHBondContact OD1-CD2 3.44Å
258	L	98.3	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.			trans	-80.5	150.3	-171.5	-56.1	176.4	0	0	0	112.5	L234 L237 L256 L261 L279 Y281 L282	L234-L258 HydrophobicContact CB-CD2 4.41Å; L234-L258 HydrophobicContact CD2-CD2 4.01Å; L234-L258 HydrophobicContact CG-CD2 4.02Å; L237-L258 HydrophobicContact CB-CD1 3.78Å; L237-L258 HydrophobicContact CB-CD2 4.04Å; L237-L258 HydrophobicContact CD2-CD1 4.2Å; L256-L258 HydrophobicContact CB-CD1 4.45Å; L256-L258 HydrophobicContact CB-CD2 4.24Å; L256-L258 HydrophobicContact CB-CG 4Å; L256-L258 HydrophobicContact CD1-CD1 4.21Å; L256-L258 HydrophobicContact CD1-CD2 4.39Å; L256-L258 HydrophobicContact CD1-CG 4.46Å; L258-L261 HydrophobicContact CD1-CB 4.27Å; L258-L261 HydrophobicContact CD1-CD1 4Å; L258-L279 HydrophobicContact CB-CD2 4.25Å; L258-L279 HydrophobicContact CD1-CD1 4.3Å; L258-L279 HydrophobicContact CD1-CD2 4.36Å; L258-L279 HydrophobicContact CG-CD2 4.2Å; L258-Y281 CarbonylContact O-C 3.55Å; L258-L282 HydrophobicContact CB-CD1 4.04Å; L258-L282 PolarHBondContact O-N 3.29Å
259	T	98.5	Very high	97.2	Very high	45 Å²	45	36.4 Å²	36.4	28%	0.276	21%	0.21	S	C	.	.	S	Bend	trans	-107.1	-23.8	166.6	55.6	0	0	0	0	111.8	K235 R283 F284	K235-T259 HydrophobicContact CD-CG2 4.01Å; K235-T259 PolarHBondContact O-N 2.95Å; K235-T259 PolarHBondContact O-OG1 3.12Å; T259-R283 PolarHBondContact O-N 2.96Å; T259-F284 PolarHBondContact O-N 2.8Å; T259-F284 VanDerWaalsContact O-N 3.11Å
260	S	98.8	Very high	97.1	Very high	22 Å²	22	37.5 Å²	37.5	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.2	176.4	178.8	0	0	0	0	110.3	K235 V236 L237 F284	K235-S260 PolarHBondContact O-N 2.93Å; V236-S260 WeakPolarHBondContact CA-O 3.32Å; L237-S260 PolarHBondContact N-O 3.17Å; L237-S260 VanDerWaalsContact N-O 3.12Å; S260-F284 WeakPolarHBondContact CA-O 3.15Å; S260-F284 WeakPolarHBondContact OG-CD1 3.18Å
261	L	98.8	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.1	176	177.4	62.1	0	0	0	109.2	L237 L253 L258 I263 L276 L279 L282 F284 L285 N286	L237-L261 HydrophobicContact CB-CD1 4.02Å; L237-L261 HydrophobicContact CD2-CD1 3.96Å; L237-L261 HydrophobicContact CG-CD1 4.06Å; L237-L261 WeakPolarHBondContact O-CA 3.42Å; L253-L261 HydrophobicContact CD1-CD2 3.97Å; L258-L261 HydrophobicContact CD1-CB 4.27Å; L258-L261 HydrophobicContact CD1-CD1 4Å; L261-I263 HydrophobicContact CD1-CD1 4.13Å; L261-I263 HydrophobicContact CD1-CG1 3.94Å; L261-I263 HydrophobicContact CD2-CD1 4.01Å; L261-I263 HydrophobicContact CG-CD1 4.15Å; L261-I263 HydrophobicContact CG-CG1 4.14Å; L261-L276 HydrophobicContact CD2-CD2 3.27Å; L261-L279 HydrophobicContact CD2-CD1 3.97Å; L261-L282 HydrophobicContact CB-CD1 3.72Å; L261-L282 HydrophobicContact CB-CD2 4.36Å; L261-F284 PolarHBondContact N-O 2.87Å; L261-L285 HydrophobicContact CB-CD1 4.25Å; L261-L285 HydrophobicContact CD2-CD1 4.07Å; L261-L285 HydrophobicContact CG-CD1 4.22Å; L261-L285 WeakPolarHBondContact O-CA 3.49Å; L261-N286 PolarHBondContact O-N 3.19Å
262	T	98.8	Very high	97.2	Very high	17 Å²	17	32.8 Å²	32.8	10%	0.104	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.5	171.3	-60.3	0	0	0	0	108.9	L237 E238 I239 A264 N286	L237-T262 PolarHBondContact O-N 3.33Å; E238-T262 HydrophobicContact CG-CG2 4.13Å; I239-T262 PolarHBondContact N-O 3.26Å; T262-A264 HydrophobicContact CG2-CB 3.81Å; T262-N286 CarbonylContact C-O 3.54Å; T262-N286 WeakPolarHBondContact CA-O 3.46Å; T262-N286 HydrophobicContact CG2-CB 4.07Å
263	I	98.3	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	86	170	-53.5	165.2	0	0	0	106.4	I239 L245 M248 L261 T266 L268 N286 L287 N290	I239-I263 HydrophobicContact CB-CG1 4.49Å; I239-I263 HydrophobicContact CD1-CG1 4.48Å; I239-I263 HydrophobicContact CG2-CG2 4.42Å; I239-I263 CarbonylContact O-C 3.09Å; I239-I263 WeakPolarHBondContact O-CA 3.44Å; L245-I263 HydrophobicContact CD2-CG2 4.37Å; M248-I263 HydrophobicContact CE-CD1 3.8Å; M248-I263 HydrophobicContact SD-CD1 3.78Å; L261-I263 HydrophobicContact CD1-CD1 4.13Å; L261-I263 HydrophobicContact CD1-CG1 3.94Å; L261-I263 HydrophobicContact CD2-CD1 4.01Å; L261-I263 HydrophobicContact CG-CD1 4.15Å; L261-I263 HydrophobicContact CG-CG1 4.14Å; I263-T266 HydrophobicContact CG2-CG2 4.27Å; I263-L268 HydrophobicContact CG2-CD1 3.64Å; I263-N286 PolarHBondContact N-O 3.35Å; I263-L287 HydrophobicContact CB-CD2 3.85Å; I263-L287 HydrophobicContact CD1-CD2 4.24Å; I263-L287 HydrophobicContact CG1-CD2 4.41Å; I263-L287 WeakPolarHBondContact O-CA 3.26Å; I263-N290 PolarHBondContact O-ND2 2.81Å
264	A	98.1	Very high	97.2	Very high	11 Å²	11	37.4 Å²	37.4	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.4	-167.4	0	0	0	0	0	112.9	I239 A240 N241 T262 T266 S288	I239-A264 PolarHBondContact O-N 3.3Å; A240-A264 CarbonylContact C-O 3.43Å; A240-A264 VanDerWaalsContact CA-O 3.24Å; A240-A264 WeakPolarHBondContact CA-O 3.27Å; N241-A264 PolarHBondContact N-O 3.39Å; T262-A264 HydrophobicContact CG2-CB 3.81Å; A264-T266 WeakPolarHBondContact O-CG2 3.21Å; A264-S288 CarbonylContact C-O 3.21Å; A264-S288 WeakPolarHBondContact CA-O 3Å; A264-S288 WeakPolarHBondContact CB-O 2.98Å
265	N	97.6	Very high	97.3	Very high	80 Å²	80	31.1 Å²	31.1	43%	0.428	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.2	56.1	-178.5	-165.7	25.1	0	0	0	111.9	N241 W242 S288 Y289	N241-N265 CarbonylContact C-O 3.47Å; N241-N265 VanDerWaalsContact CA-O 3.25Å; N241-N265 WeakPolarHBondContact CA-O 3.47Å; N241-N265 PolarHBondContact N-O 3.48Å; N241-N265 VanDerWaalsContact OD1-CB 3.27Å; N241-N265 WeakPolarHBondContact OD1-CB 3.36Å; N241-N265 PolarHBondContact OD1-ND2 2.82Å; W242-N265 PolarHBondContact N-O 2.73Å; N265-S288 PolarHBondContact N-O 3.17Å; N265-Y289 VanDerWaalsContact CA-O 3.26Å; N265-Y289 WeakPolarHBondContact CA-O 3.43Å
266	T	97.7	Very high	97.5	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	-179.5	176.5	72.5	0	0	0	0	110.3	W242 L245 I263 A264 L268 Y289 N290 P291	W242-T266 HydrophobicContact CB-CG2 3.95Å; W242-T266 WeakPolarHBondContact O-CA 3.46Å; W242-T266 WeakPolarHBondContact O-CB 3.46Å; L245-T266 HydrophobicContact CB-CG2 4.42Å; L245-T266 HydrophobicContact CD2-CG2 4.11Å; I263-T266 HydrophobicContact CG2-CG2 4.27Å; A264-T266 WeakPolarHBondContact O-CG2 3.21Å; T266-L268 WeakPolarHBondContact OG1-CG 3.44Å; T266-Y289 PolarHBondContact N-O 2.91Å; T266-N290 WeakPolarHBondContact CA-OD1 3.22Å; T266-N290 WeakPolarHBondContact CB-OD1 3.26Å; T266-N290 PolarHBondContact N-OD1 2.89Å; T266-N290 PolarHBondContact O-OD1 2.93Å; T266-N290 PolarHBondContact OG1-OD1 2.88Å; T266-P291 WeakPolarHBondContact O-CD 3.35Å
267	N	97.4	Very high	97.4	Very high	74 Å²	74	32.8 Å²	32.8	40%	0.396	19%	0.186	S	C	.	.			trans	-100.4	31.7	-176.9	-164.4	34.9	0	0	0	112.6	L245 D246 T269	L245-N267 CarbonylContact O-C 3.41Å; L245-N267 VanDerWaalsContact O-C 3.26Å; L245-N267 VanDerWaalsContact O-CA 3.26Å; L245-N267 WeakPolarHBondContact O-CA 3.47Å; L245-N267 WeakPolarHBondContact O-CB 3.42Å; L245-N267 PolarHBondContact O-N 3.31Å; D246-N267 HydrophobicContact CB-CB 4.41Å; N267-T269 PolarHBondContact O-N 3.32Å
268	L	97.3	Very high	97.4	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.184	C	C	.	.			trans	-74.5	123.3	178.9	-65.2	174.8	0	0	0	110.6	L245 M248 I263 T266 N290 P291 I292	L245-L268 PolarHBondContact O-N 2.97Å; M248-L268 HydrophobicContact CG-CD2 4.28Å; M248-L268 HydrophobicContact SD-CD1 4.12Å; M248-L268 HydrophobicContact SD-CD2 4.49Å; I263-L268 HydrophobicContact CG2-CD1 3.64Å; T266-L268 WeakPolarHBondContact OG1-CG 3.44Å; L268-N290 HydrophobicContact CB-CB 4.34Å; L268-N290 WeakPolarHBondContact CB-OD1 3.47Å; L268-N290 PolarHBondContact N-OD1 3.13Å; L268-P291 CarbonylContact O-C 3.54Å; L268-P291 WeakPolarHBondContact O-CD 3.27Å; L268-P291 WeakPolarHBondContact O-CG 3.26Å; L268-I292 WeakPolarHBondContact O-CG1 3.27Å
269	T	96.6	Very high	97.4	Very high	82 Å²	82	32.8 Å²	32.8	50%	0.503	18%	0.184	S	C	.	.	S	Bend	trans	-91	-17.8	179.8	56.6	0	0	0	0	113.2	N267 P291 I292	N267-T269 PolarHBondContact O-N 3.32Å; T269-P291 HydrophobicContact CG2-CG 4.36Å; T269-I292 WeakPolarHBondContact O-CA 3.29Å
270	T	96.7	Very high	97.2	Very high	75 Å²	75	33 Å²	33	46%	0.46	19%	0.185	S	C	.	.	S	Bend	trans	-138.2	158.8	178.6	61.3	0	0	0	0	110.4
271	I	97.5	Very high	97.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	20%	0.198	C	C	.	.			trans	-72.8	132	171.8	-62.7	176.6	0	0	0	108.2	Y273 L276 L287 I292 I295 L300 F309	I271-Y273 HydrophobicContact CB-CD1 4.04Å; I271-Y273 HydrophobicContact CB-CE1 3.57Å; I271-Y273 HydrophobicContact CB-CE2 4.14Å; I271-Y273 HydrophobicContact CD1-CE1 4.12Å; I271-Y273 HydrophobicContact CG1-CE1 4.38Å; I271-Y273 HydrophobicContact CG2-CD1 3.67Å; I271-Y273 HydrophobicContact CG2-CE1 3.6Å; I271-Y273 HydrophobicContact CG2-CG 4.32Å; I271-Y273 WeakPolarHBondContact O-CD2 3.4Å; I271-Y273 WeakPolarHBondContact O-CE2 3.44Å; I271-Y273 PolarHBondContact O-N 3.18Å; I271-L276 HydrophobicContact CG2-CD1 3.9Å; I271-L287 HydrophobicContact CB-CD1 4.31Å; I271-L287 HydrophobicContact CD1-CD1 4.27Å; I271-L287 HydrophobicContact CG1-CD1 3.83Å; I271-L287 HydrophobicContact CG2-CD1 3.89Å; I271-I292 HydrophobicContact CG1-CD1 3.93Å; I271-I292 HydrophobicContact CG1-CG2 4.18Å; I271-I295 HydrophobicContact CD1-CB 4.49Å; I271-I295 HydrophobicContact CD1-CG1 3.83Å; I271-I295 HydrophobicContact CD1-CG2 4.28Å; I271-L300 HydrophobicContact CG2-CD2 4.28Å; I271-F309 HydrophobicContact CD1-CZ 3.97Å
272	P	97.1	Very high	97.1	Very high	18 Å²	18	37.1 Å²	37.1	12%	0.117	20%	0.198	C	C	.	.			trans	-77.8	64	-179.7	33.2	-37.2	0	0	0	111.7	M248 V274 A275 L276	M248-P272 HydrophobicContact CB-CB 4.23Å; M248-P272 HydrophobicContact SD-CB 4.3Å; M248-P272 HydrophobicContact SD-CG 3.99Å; P272-V274 VanDerWaalsContact C-N 3.31Å; P272-V274 PolarHBondContact O-N 2.95Å; P272-V274 VanDerWaalsContact O-N 3.17Å; P272-A275 HydrophobicContact CB-CB 4.16Å; P272-A275 PolarHBondContact O-N 3.23Å; P272-L276 HydrophobicContact CG-CD1 4.27Å; P272-L276 HydrophobicContact CG-CG 4.29Å; P272-L276 WeakPolarHBondContact O-CG 3.29Å; P272-L276 PolarHBondContact O-N 3.38Å
273	Y	97.4	Very high	97.1	Very high	27 Å²	27	42.6 Å²	42.6	11%	0.106	22%	0.217	C	C	.	.	H	α-helix	trans	-49.3	-47.2	-171.7	-57.8	-68.5	0	0	0	113.6	I271 A275 L276 Q277 E296 K299 L300	I271-Y273 HydrophobicContact CB-CD1 4.04Å; I271-Y273 HydrophobicContact CB-CE1 3.57Å; I271-Y273 HydrophobicContact CB-CE2 4.14Å; I271-Y273 HydrophobicContact CD1-CE1 4.12Å; I271-Y273 HydrophobicContact CG1-CE1 4.38Å; I271-Y273 HydrophobicContact CG2-CD1 3.67Å; I271-Y273 HydrophobicContact CG2-CE1 3.6Å; I271-Y273 HydrophobicContact CG2-CG 4.32Å; I271-Y273 WeakPolarHBondContact O-CD2 3.4Å; I271-Y273 WeakPolarHBondContact O-CE2 3.44Å; I271-Y273 PolarHBondContact O-N 3.18Å; Y273-A275 VanDerWaalsContact C-N 3.34Å; Y273-A275 PolarHBondContact O-N 3.25Å; Y273-L276 PolarHBondContact O-N 3.46Å; Y273-Q277 PolarHBondContact O-N 2.98Å; Y273-Q277 VanDerWaalsContact O-N 3.1Å; Y273-E296 HydrophobicContact CE2-CB 4.1Å; Y273-E296 HydrophobicContact CE2-CG 4.1Å; Y273-E296 PolarHBondContact OH-N 3.03Å; Y273-K299 HydrophobicContact CD1-CB 3.32Å; Y273-K299 HydrophobicContact CD1-CG 4.3Å; Y273-K299 HydrophobicContact CD2-CB 4.11Å; Y273-K299 HydrophobicContact CD2-CG 4.25Å; Y273-K299 HydrophobicContact CE1-CB 3.57Å; Y273-K299 HydrophobicContact CE1-CG 4.37Å; Y273-K299 HydrophobicContact CE2-CB 4.31Å; Y273-K299 HydrophobicContact CE2-CG 4.33Å; Y273-K299 HydrophobicContact CG-CB 3.62Å; Y273-K299 HydrophobicContact CG-CG 4.24Å; Y273-L300 HydrophobicContact CD1-CD2 3.83Å; Y273-L300 HydrophobicContact CD1-CG 4.17Å; Y273-L300 HydrophobicContact CE1-CD2 4.14Å; Y273-L300 HydrophobicContact CE1-CG 4.13Å
274	V	96.3	Very high	97.2	Very high	70 Å²	70	44.9 Å²	44.9	42%	0.424	23%	0.227	S	C	.	.	H	α-helix	trans	-67.5	-34.5	-177.6	-173.6	0	0	0	0	111.9	T250 P272 L276 Q277	T250-V274 HydrophobicContact CG2-CB 4.25Å; T250-V274 HydrophobicContact CG2-CG1 3.75Å; P272-V274 VanDerWaalsContact C-N 3.31Å; P272-V274 PolarHBondContact O-N 2.95Å; P272-V274 VanDerWaalsContact O-N 3.17Å; V274-L276 VanDerWaalsContact C-N 3.26Å; V274-L276 PolarHBondContact O-N 2.93Å; V274-Q277 VanDerWaalsContact O-CD 3.27Å; V274-Q277 WeakPolarHBondContact O-CG 3.26Å; V274-Q277 PolarHBondContact O-NE2 3.17Å; V274-Q277 VanDerWaalsContact O-NE2 3.16Å
275	A	97.2	Very high	97.2	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-73.5	-20.5	177.2	0	0	0	0	0	112.8	T250 P272 Y273 H278	T250-A275 WeakPolarHBondContact O-CA 3.16Å; P272-A275 HydrophobicContact CB-CB 4.16Å; P272-A275 PolarHBondContact O-N 3.23Å; Y273-A275 VanDerWaalsContact C-N 3.34Å; Y273-A275 PolarHBondContact O-N 3.25Å; A275-H278 PolarHBondContact O-CE1 3.04Å
276	L	97.2	Very high	97.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-92.6	-21.7	-179.7	-61.4	176.6	0	0	0	113.1	L253 L261 I271 P272 Y273 V274 H278 L279 L285 L303	L253-L276 HydrophobicContact CD1-CD2 4.19Å; L261-L276 HydrophobicContact CD2-CD2 3.27Å; I271-L276 HydrophobicContact CG2-CD1 3.9Å; P272-L276 HydrophobicContact CG-CD1 4.27Å; P272-L276 HydrophobicContact CG-CG 4.29Å; P272-L276 WeakPolarHBondContact O-CG 3.29Å; P272-L276 PolarHBondContact O-N 3.38Å; Y273-L276 PolarHBondContact O-N 3.46Å; V274-L276 VanDerWaalsContact C-N 3.26Å; V274-L276 PolarHBondContact O-N 2.93Å; L276-H278 VanDerWaalsContact C-N 3.26Å; L276-H278 PolarHBondContact O-N 3.41Å; L276-L279 HydrophobicContact CD2-CD1 3.92Å; L276-L279 WeakPolarHBondContact O-CB 3.27Å; L276-L279 PolarHBondContact O-N 3.02Å; L276-L285 HydrophobicContact CD1-CD2 4.17Å; L276-L303 WeakPolarHBondContact O-CD2 3.47Å
277	Q	94.9	Very high	97.3	Very high	89 Å²	89	41.6 Å²	41.6	42%	0.416	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-35.6	-167.9	74.2	-168.1	-23.4	0	0	114.8	Y273 V274 L279 D302	Y273-Q277 PolarHBondContact O-N 2.98Å; Y273-Q277 VanDerWaalsContact O-N 3.1Å; V274-Q277 VanDerWaalsContact O-CD 3.27Å; V274-Q277 WeakPolarHBondContact O-CG 3.26Å; V274-Q277 PolarHBondContact O-NE2 3.17Å; V274-Q277 VanDerWaalsContact O-NE2 3.16Å; Q277-L279 VanDerWaalsContact C-N 3.33Å; Q277-L279 PolarHBondContact O-N 3.08Å; Q277-D302 WeakPolarHBondContact O-CB 3.33Å
278	H	95.8	Very high	97.3	Very high	60 Å²	60	38.3 Å²	38.3	28%	0.278	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.7	-178.2	65.3	-79.2	0	0	0	113.9	L253 A275 L276 V280	L253-H278 PolarHBondContact O-CE1 3.2Å; L253-H278 PolarHBondContact O-NE2 3.23Å; A275-H278 PolarHBondContact O-CE1 3.04Å; L276-H278 VanDerWaalsContact C-N 3.26Å; L276-H278 PolarHBondContact O-N 3.41Å; H278-V280 PolarHBondContact O-N 3.16Å
279	L	96.7	Very high	97.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.			trans	-81.1	53.7	-177.5	-58.4	177	0	0	0	111.8	L253 L256 L258 L261 L276 Q277 Y281 L282 L303	L253-L279 HydrophobicContact CD1-CD1 4.14Å; L256-L279 WeakPolarHBondContact O-CD2 3.33Å; L258-L279 HydrophobicContact CB-CD2 4.25Å; L258-L279 HydrophobicContact CD1-CD1 4.3Å; L258-L279 HydrophobicContact CD1-CD2 4.36Å; L258-L279 HydrophobicContact CG-CD2 4.2Å; L261-L279 HydrophobicContact CD2-CD1 3.97Å; L276-L279 HydrophobicContact CD2-CD1 3.92Å; L276-L279 WeakPolarHBondContact O-CB 3.27Å; L276-L279 PolarHBondContact O-N 3.02Å; Q277-L279 VanDerWaalsContact C-N 3.33Å; Q277-L279 PolarHBondContact O-N 3.08Å; L279-Y281 PolarHBondContact O-N 2.02Å; L279-L282 HydrophobicContact CB-CB 4.14Å; L279-L282 WeakPolarHBondContact O-CB 3.48Å; L279-L282 PolarHBondContact O-N 2.97Å; L279-L303 HydrophobicContact CB-CD2 4.23Å
280	V	96	Very high	97.5	Very high	49 Å²	49	40.6 Å²	40.6	30%	0.297	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.3	-175.2	-57	0	0	0	0	114.7	H278 R305	H278-V280 PolarHBondContact O-N 3.16Å; V280-R305 PolarHBondContact O-NH1 2.86Å
281	Y	97.3	Very high	97.5	Very high	108 Å²	108	38.4 Å²	38.4	42%	0.424	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.4	176.1	-66.5	-82.2	0	0	0	113.7	N257 L258 L279 R283 R305	N257-Y281 WeakPolarHBondContact OD1-CB 3.02Å; N257-Y281 WeakPolarHBondContact OD1-CD2 3.44Å; L258-Y281 CarbonylContact O-C 3.55Å; L279-Y281 PolarHBondContact O-N 2.02Å; Y281-R283 PolarHBondContact O-N 2.81Å; Y281-R305 VanDerWaalsContact CE1-CZ 3.45Å; Y281-R305 VanDerWaalsContact CE1-NH1 3.35Å
282	L	98.4	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.			trans	-62.5	129.2	179.9	-161.3	71.8	0	0	0	110.2	L258 L261 L279 L285 L303 R305 L306	L258-L282 HydrophobicContact CB-CD1 4.04Å; L258-L282 PolarHBondContact O-N 3.29Å; L261-L282 HydrophobicContact CB-CD1 3.72Å; L261-L282 HydrophobicContact CB-CD2 4.36Å; L279-L282 HydrophobicContact CB-CB 4.14Å; L279-L282 WeakPolarHBondContact O-CB 3.48Å; L279-L282 PolarHBondContact O-N 2.97Å; L282-L285 HydrophobicContact CD2-CB 3.96Å; L282-L285 HydrophobicContact CD2-CD1 4.19Å; L282-L285 HydrophobicContact CD2-CG 4.46Å; L282-L303 HydrophobicContact CD2-CD1 4.43Å; L282-R305 CarbonylContact O-C 3.59Å; L282-L306 HydrophobicContact CD2-CD1 4.13Å; L282-L306 HydrophobicContact CG-CD1 4.17Å; L282-L306 VanDerWaalsContact O-CA 3.31Å; L282-L306 WeakPolarHBondContact O-CA 3.16Å; L282-L306 PolarHBondContact O-N 3Å; L282-L306 VanDerWaalsContact O-N 3.11Å
283	R	98.6	Very high	97.5	Very high	132 Å²	132	43 Å²	43	50%	0.498	20%	0.197	S	C	.	.			trans	-110.9	-34	177	-63	-174.5	-177.6	-176.8	-0.5	111.7	T259 Y281 Q307 E308	T259-R283 PolarHBondContact O-N 2.96Å; Y281-R283 PolarHBondContact O-N 2.81Å; R283-Q307 WeakPolarHBondContact O-CA 3.4Å; R283-Q307 PolarHBondContact O-N 3.2Å; R283-E308 PolarHBondContact O-N 3.05Å
284	F	98.9	Very high	97.5	Very high	49 Å²	49	43.5 Å²	43.5	22%	0.215	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.6	-179.1	179.4	-90.5	0	0	0	110.1	T259 S260 L261 N286 E308 H310	T259-F284 PolarHBondContact O-N 2.8Å; T259-F284 VanDerWaalsContact O-N 3.11Å; S260-F284 WeakPolarHBondContact CA-O 3.15Å; S260-F284 WeakPolarHBondContact OG-CD1 3.18Å; L261-F284 PolarHBondContact N-O 2.87Å; F284-N286 HydrophobicContact CD1-CB 4.41Å; F284-N286 HydrophobicContact CE1-CB 3.47Å; F284-N286 VanDerWaalsContact CE1-CB 3.47Å; F284-N286 HydrophobicContact CZ-CB 3.69Å; F284-E308 HydrophobicContact CD2-CB 3.75Å; F284-E308 HydrophobicContact CD2-CG 4.48Å; F284-E308 WeakPolarHBondContact CD2-OE2 3.49Å; F284-E308 HydrophobicContact CE2-CB 4.39Å; F284-H310 AromaticContact CE2-CD2 3.63Å; F284-H310 AromaticContact CE2-NE2 3.74Å
285	L	98.8	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.6	172.9	178	60.6	0	0	0	109.4	L261 L276 L282 L287 L303 L306 E308 F309 H310	L261-L285 HydrophobicContact CB-CD1 4.25Å; L261-L285 HydrophobicContact CD2-CD1 4.07Å; L261-L285 HydrophobicContact CG-CD1 4.22Å; L261-L285 WeakPolarHBondContact O-CA 3.49Å; L276-L285 HydrophobicContact CD1-CD2 4.17Å; L282-L285 HydrophobicContact CD2-CB 3.96Å; L282-L285 HydrophobicContact CD2-CD1 4.19Å; L282-L285 HydrophobicContact CD2-CG 4.46Å; L285-L287 HydrophobicContact CD1-CD1 4.47Å; L285-L287 HydrophobicContact CD1-CD2 4.03Å; L285-L287 HydrophobicContact CD1-CG 4.01Å; L285-L287 HydrophobicContact CD2-CD1 4.3Å; L285-L287 HydrophobicContact CG-CD1 4.43Å; L285-L287 HydrophobicContact CG-CG 4.14Å; L285-L303 HydrophobicContact CD2-CD1 4.36Å; L285-L306 HydrophobicContact CB-CD1 3.73Å; L285-L306 HydrophobicContact CB-CD2 4.48Å; L285-E308 PolarHBondContact N-O 2.68Å; L285-F309 HydrophobicContact CB-CD2 3.93Å; L285-F309 HydrophobicContact CB-CE2 4.49Å; L285-F309 HydrophobicContact CD2-CD2 3.75Å; L285-F309 HydrophobicContact CD2-CE2 3.62Å; L285-F309 HydrophobicContact CG-CD2 3.77Å; L285-F309 HydrophobicContact CG-CE2 3.83Å; L285-F309 WeakPolarHBondContact O-CA 3.24Å; L285-F309 WeakPolarHBondContact O-CD2 3.44Å; L285-H310 PolarHBondContact O-N 3.49Å
286	N	98.8	Very high	97.5	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.16	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.1	175.6	-177.4	2.9	0	0	0	110.4	L261 T262 I263 F284 S288 H310	L261-N286 PolarHBondContact O-N 3.19Å; T262-N286 CarbonylContact C-O 3.54Å; T262-N286 WeakPolarHBondContact CA-O 3.46Å; T262-N286 HydrophobicContact CG2-CB 4.07Å; I263-N286 PolarHBondContact N-O 3.35Å; F284-N286 HydrophobicContact CD1-CB 4.41Å; F284-N286 HydrophobicContact CE1-CB 3.47Å; F284-N286 VanDerWaalsContact CE1-CB 3.47Å; F284-N286 HydrophobicContact CZ-CB 3.69Å; N286-S288 WeakPolarHBondContact OD1-CB 3.34Å; N286-S288 PolarHBondContact OD1-N 2.91Å; N286-S288 PolarHBondContact OD1-OG 2.99Å; N286-H310 WeakPolarHBondContact CA-O 3.22Å; N286-H310 HydrophobicContact CB-CB 4.13Å
287	L	98.4	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.			trans	-116.5	20.2	176.8	-61.8	-179.2	0	0	0	111.7	I263 I271 L285 N290 I292 F309 H310 L311	I263-L287 HydrophobicContact CB-CD2 3.85Å; I263-L287 HydrophobicContact CD1-CD2 4.24Å; I263-L287 HydrophobicContact CG1-CD2 4.41Å; I263-L287 WeakPolarHBondContact O-CA 3.26Å; I271-L287 HydrophobicContact CB-CD1 4.31Å; I271-L287 HydrophobicContact CD1-CD1 4.27Å; I271-L287 HydrophobicContact CG1-CD1 3.83Å; I271-L287 HydrophobicContact CG2-CD1 3.89Å; L285-L287 HydrophobicContact CD1-CD1 4.47Å; L285-L287 HydrophobicContact CD1-CD2 4.03Å; L285-L287 HydrophobicContact CD1-CG 4.01Å; L285-L287 HydrophobicContact CD2-CD1 4.3Å; L285-L287 HydrophobicContact CG-CD1 4.43Å; L285-L287 HydrophobicContact CG-CG 4.14Å; L287-N290 PolarHBondContact O-ND2 3.02Å; L287-I292 HydrophobicContact CB-CD1 4.22Å; L287-I292 HydrophobicContact CD1-CD1 4.36Å; L287-F309 HydrophobicContact CD1-CE2 4.04Å; L287-F309 HydrophobicContact CD1-CZ 4.39Å; L287-F309 HydrophobicContact CG-CE2 4.29Å; L287-H310 PolarHBondContact N-O 3.37Å; L287-L311 HydrophobicContact CB-CD1 3.88Å; L287-L311 WeakPolarHBondContact O-CD1 3.46Å
288	S	98.5	Very high	97.5	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.035	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	153.3	-174.9	-55.8	0	0	0	0	113	A264 N265 N286 N290 V312	A264-S288 CarbonylContact C-O 3.21Å; A264-S288 WeakPolarHBondContact CA-O 3Å; A264-S288 WeakPolarHBondContact CB-O 2.98Å; N265-S288 PolarHBondContact N-O 3.17Å; N286-S288 WeakPolarHBondContact OD1-CB 3.34Å; N286-S288 PolarHBondContact OD1-N 2.91Å; N286-S288 PolarHBondContact OD1-OG 2.99Å; S288-N290 VanDerWaalsContact C-N 3.27Å; S288-N290 PolarHBondContact O-N 2.93Å; S288-N290 PolarHBondContact O-ND2 2.99Å; S288-V312 CarbonylContact C-O 3.33Å; S288-V312 WeakPolarHBondContact CA-O 3.46Å; S288-V312 WeakPolarHBondContact CB-O 3.35Å; S288-V312 PolarHBondContact OG-N 3.08Å
289	Y	98.1	Very high	97.5	Very high	133 Å²	133	45.3 Å²	45.3	52%	0.522	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	36.3	179.7	-48.6	-75.6	0	0	0	113.1	N265 T266 V312 G313	N265-Y289 VanDerWaalsContact CA-O 3.26Å; N265-Y289 WeakPolarHBondContact CA-O 3.43Å; T266-Y289 PolarHBondContact N-O 2.91Å; Y289-V312 PolarHBondContact N-O 3.33Å; Y289-G313 WeakPolarHBondContact CA-O 3.26Å; Y289-G313 WeakPolarHBondContact CD1-O 3.45Å
290	N	98.1	Very high	97.5	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.011	21%	0.213	C	C	.	.	S	Bend	trans	-111.2	146.6	168.4	-76.7	-74.7	0	0	0	110.3	I263 T266 L268 L287 S288 I292 G314	I263-N290 PolarHBondContact O-ND2 2.81Å; T266-N290 WeakPolarHBondContact CA-OD1 3.22Å; T266-N290 WeakPolarHBondContact CB-OD1 3.26Å; T266-N290 PolarHBondContact N-OD1 2.89Å; T266-N290 PolarHBondContact O-OD1 2.93Å; T266-N290 PolarHBondContact OG1-OD1 2.88Å; L268-N290 HydrophobicContact CB-CB 4.34Å; L268-N290 WeakPolarHBondContact CB-OD1 3.47Å; L268-N290 PolarHBondContact N-OD1 3.13Å; L287-N290 PolarHBondContact O-ND2 3.02Å; S288-N290 VanDerWaalsContact C-N 3.27Å; S288-N290 PolarHBondContact O-N 2.93Å; S288-N290 PolarHBondContact O-ND2 2.99Å; N290-I292 HydrophobicContact CB-CD1 3.86Å; N290-I292 HydrophobicContact CB-CG1 3.9Å; N290-I292 PolarHBondContact O-N 2.79Å; N290-G314 WeakPolarHBondContact O-CA 3.3Å
291	P	97.3	Very high	97.5	Very high	29 Å²	29	46.6 Å²	46.6	19%	0.188	22%	0.215	C	C	.	.			trans	-74	43	176.1	32.8	-37.1	0	0	0	113.4	T266 L268 T269 H293	T266-P291 WeakPolarHBondContact O-CD 3.35Å; L268-P291 CarbonylContact O-C 3.54Å; L268-P291 WeakPolarHBondContact O-CD 3.27Å; L268-P291 WeakPolarHBondContact O-CG 3.26Å; T269-P291 HydrophobicContact CG2-CG 4.36Å; P291-H293 PolarHBondContact O-N 3.04Å
292	I	97.9	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.			trans	-74.6	123.7	178.3	-65.3	167	0	0	0	109.8	L268 T269 I271 L287 N290 L311 R315 L316	L268-I292 WeakPolarHBondContact O-CG1 3.27Å; T269-I292 WeakPolarHBondContact O-CA 3.29Å; I271-I292 HydrophobicContact CG1-CD1 3.93Å; I271-I292 HydrophobicContact CG1-CG2 4.18Å; L287-I292 HydrophobicContact CB-CD1 4.22Å; L287-I292 HydrophobicContact CD1-CD1 4.36Å; N290-I292 HydrophobicContact CB-CD1 3.86Å; N290-I292 HydrophobicContact CB-CG1 3.9Å; N290-I292 PolarHBondContact O-N 2.79Å; I292-L311 HydrophobicContact CB-CD1 4.34Å; I292-L311 HydrophobicContact CB-CD2 4.49Å; I292-L311 HydrophobicContact CD1-CD1 3.79Å; I292-L311 HydrophobicContact CG2-CD2 4.21Å; I292-R315 CarbonylContact O-C 3.55Å; I292-L316 VanDerWaalsContact O-CA 3.26Å; I292-L316 WeakPolarHBondContact O-CA 3.48Å; I292-L316 PolarHBondContact O-N 3.05Å
293	H	96.6	Very high	97.3	Very high	118 Å²	118	44.5 Å²	44.5	55%	0.546	21%	0.211	S	C	.	.			trans	-90.1	-36.6	-177.2	-173	-53.5	0	0	0	113.4	P291 A317 M318	P291-H293 PolarHBondContact O-N 3.04Å; H293-A317 VanDerWaalsContact CE1-CB 3.46Å; H293-A317 WeakPolarHBondContact CE1-CB 3.37Å; H293-A317 PolarHBondContact O-N 2.93Å; H293-M318 PolarHBondContact O-N 3.03Å
294	T	97.4	Very high	97.1	Very high	37 Å²	37	42.4 Å²	42.4	23%	0.227	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.3	-172.6	-170.6	0	0	0	0	111.7	E296 M318	T294-E296 HydrophobicContact CG2-CG 4.37Å; T294-M318 WeakPolarHBondContact CA-O 3.38Å
295	I	98.1	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.1	162.7	-61	170	0	0	0	107	I271 F309 L311 L316 M318 I319 E320 S323 F324	I271-I295 HydrophobicContact CD1-CB 4.49Å; I271-I295 HydrophobicContact CD1-CG1 3.83Å; I271-I295 HydrophobicContact CD1-CG2 4.28Å; I295-F309 HydrophobicContact CD1-CE1 3.76Å; I295-F309 HydrophobicContact CD1-CZ 4.37Å; I295-L311 HydrophobicContact CD1-CD2 3.85Å; I295-L311 HydrophobicContact CG1-CD2 4.13Å; I295-L316 HydrophobicContact CD1-CD1 4.12Å; I295-L316 HydrophobicContact CD1-CD2 4.07Å; I295-L316 HydrophobicContact CG1-CD1 3.77Å; I295-M318 PolarHBondContact N-O 3.24Å; I295-M318 VanDerWaalsContact N-O 3.1Å; I295-I319 HydrophobicContact CB-CG1 4.4Å; I295-I319 HydrophobicContact CB-CG2 4.45Å; I295-I319 HydrophobicContact CD1-CD1 4.24Å; I295-I319 HydrophobicContact CD1-CG1 3.96Å; I295-I319 HydrophobicContact CG1-CG1 4.46Å; I295-E320 WeakPolarHBondContact O-CB 3.45Å; I295-E320 PolarHBondContact O-N 3.28Å; I295-S323 PolarHBondContact O-OG 3.06Å; I295-S323 VanDerWaalsContact O-OG 3.06Å; I295-F324 HydrophobicContact CD1-CZ 4.14Å; I295-F324 HydrophobicContact CG2-CE1 4.43Å
296	E	96.6	Very high	97	Very high	66 Å²	66	44.6 Å²	44.6	31%	0.308	22%	0.216	S	C	.	.			trans	-72.9	143.2	179.5	-67.3	-179.5	-143.5	0	0	113.1	Y273 T294 K299	Y273-E296 HydrophobicContact CE2-CB 4.1Å; Y273-E296 HydrophobicContact CE2-CG 4.1Å; Y273-E296 PolarHBondContact OH-N 3.03Å; T294-E296 HydrophobicContact CG2-CG 4.37Å; E296-K299 HydrophobicContact CB-CB 4.48Å; E296-K299 HydrophobicContact CB-CG 3.69Å; E296-K299 VanDerWaalsContact OE2-CE 3.24Å; E296-K299 WeakPolarHBondContact OE2-CE 3.49Å
297	G	95.6	Very high	97	Very high	19 Å²	19	45.8 Å²	45.8	20%	0.196	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	138.2	179	0	0	0	0	0	113.2	K299 E320 P321	G297-K299 PolarHBondContact O-N 2.79Å; G297-K299 VanDerWaalsContact O-N 3.15Å; G297-E320 PolarHBondContact N-OE2 2.61Å; G297-P321 WeakPolarHBondContact CA-O 3.46Å
298	N	94.8	Very high	97	Very high	69 Å²	69	48.8 Å²	48.8	37%	0.369	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	23.3	171.7	-162.6	56.7	0	0	0	115.3	H301 Y322	N298-H301 PolarHBondContact O-ND1 2.83Å; N298-Y322 PolarHBondContact N-O 3.27Å
299	K	96.7	Very high	97	Very high	105 Å²	105	48.6 Å²	48.6	46%	0.457	23%	0.233	S	C	.	.	S	Bend	trans	-98.7	-13.8	179.3	-64.5	-64.6	-170.3	168	0	115.1	Y273 E296 G297	Y273-K299 HydrophobicContact CD1-CB 3.32Å; Y273-K299 HydrophobicContact CD1-CG 4.3Å; Y273-K299 HydrophobicContact CD2-CB 4.11Å; Y273-K299 HydrophobicContact CD2-CG 4.25Å; Y273-K299 HydrophobicContact CE1-CB 3.57Å; Y273-K299 HydrophobicContact CE1-CG 4.37Å; Y273-K299 HydrophobicContact CE2-CB 4.31Å; Y273-K299 HydrophobicContact CE2-CG 4.33Å; Y273-K299 HydrophobicContact CG-CB 3.62Å; Y273-K299 HydrophobicContact CG-CG 4.24Å; E296-K299 HydrophobicContact CB-CB 4.48Å; E296-K299 HydrophobicContact CB-CG 3.69Å; E296-K299 VanDerWaalsContact OE2-CE 3.24Å; E296-K299 WeakPolarHBondContact OE2-CE 3.49Å; G297-K299 PolarHBondContact O-N 2.79Å; G297-K299 VanDerWaalsContact O-N 3.15Å
300	L	96.8	Very high	97	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-104.8	9.2	179.9	-65	172.8	0	0	0	113.3	I271 Y273 D302 L303 F324 L327	I271-L300 HydrophobicContact CG2-CD2 4.28Å; Y273-L300 HydrophobicContact CD1-CD2 3.83Å; Y273-L300 HydrophobicContact CD1-CG 4.17Å; Y273-L300 HydrophobicContact CE1-CD2 4.14Å; Y273-L300 HydrophobicContact CE1-CG 4.13Å; L300-D302 PolarHBondContact O-N 2.8Å; L300-D302 VanDerWaalsContact O-N 3.13Å; L300-L303 HydrophobicContact CD2-CD1 3.87Å; L300-L303 WeakPolarHBondContact O-CB 3.32Å; L300-L303 PolarHBondContact O-N 2.92Å; L300-F324 HydrophobicContact CD1-CD1 4.48Å; L300-F324 HydrophobicContact CD1-CE1 4.47Å; L300-L327 HydrophobicContact CB-CD1 4.49Å; L300-L327 WeakPolarHBondContact O-CD2 3.34Å
301	H	95.4	Very high	97	Very high	72 Å²	72	43.8 Å²	43.8	33%	0.333	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.1	-168.4	64.9	-89.2	0	0	0	114.7	N298 L303 L304 R325	N298-H301 PolarHBondContact O-ND1 2.83Å; H301-L303 VanDerWaalsContact C-N 3.29Å; H301-L303 PolarHBondContact O-N 2.93Å; H301-L304 WeakPolarHBondContact O-CD2 3.22Å; H301-R325 VanDerWaalsContact CA-O 3.28Å; H301-R325 WeakPolarHBondContact CA-O 3.4Å; H301-R325 WeakPolarHBondContact CB-O 3.38Å
302	D	95.2	Very high	97	Very high	61 Å²	61	43.4 Å²	43.4	33%	0.326	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-14.9	177.5	-63.5	-50.4	0	0	0	113.6	Q277 L300 L304	Q277-D302 WeakPolarHBondContact O-CB 3.33Å; L300-D302 PolarHBondContact O-N 2.8Å; L300-D302 VanDerWaalsContact O-N 3.13Å; D302-L304 PolarHBondContact O-N 3.12Å
303	L	96.6	Very high	96.9	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.227	C	C	.	.			trans	-81	54.7	179.7	-55.2	-176.3	0	0	0	111.5	L276 L279 L282 L285 L300 H301 R305 L306 L327	L276-L303 WeakPolarHBondContact O-CD2 3.47Å; L279-L303 HydrophobicContact CB-CD2 4.23Å; L282-L303 HydrophobicContact CD2-CD1 4.43Å; L285-L303 HydrophobicContact CD2-CD1 4.36Å; L300-L303 HydrophobicContact CD2-CD1 3.87Å; L300-L303 WeakPolarHBondContact O-CB 3.32Å; L300-L303 PolarHBondContact O-N 2.92Å; H301-L303 VanDerWaalsContact C-N 3.29Å; H301-L303 PolarHBondContact O-N 2.93Å; L303-R305 PolarHBondContact O-N 3.03Å; L303-L306 HydrophobicContact CB-CB 4.15Å; L303-L306 HydrophobicContact CD1-CD2 4.34Å; L303-L306 WeakPolarHBondContact O-CB 3.16Å; L303-L306 PolarHBondContact O-N 2.85Å; L303-L327 HydrophobicContact CB-CD2 3.97Å; L303-L327 WeakPolarHBondContact O-CD2 3.4Å
304	L	94.5	Very high	96.7	Very high	89 Å²	89	40.1 Å²	40.1	47%	0.466	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.8	-168	-60.3	175.1	0	0	0	115	H301 D302 Y329	H301-L304 WeakPolarHBondContact O-CD2 3.22Å; D302-L304 PolarHBondContact O-N 3.12Å; L304-Y329 VanDerWaalsContact O-CD2 3.3Å; L304-Y329 WeakPolarHBondContact O-CD2 3.39Å
305	R	97.1	Very high	96.7	Very high	94 Å²	94	46.7 Å²	46.7	36%	0.355	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	7.1	-177.4	-63.8	-171.2	-179.2	83.8	-3.9	113.6	V280 Y281 L282 L303 Q307	V280-R305 PolarHBondContact O-NH1 2.86Å; Y281-R305 VanDerWaalsContact CE1-CZ 3.45Å; Y281-R305 VanDerWaalsContact CE1-NH1 3.35Å; L282-R305 CarbonylContact O-C 3.59Å; L303-R305 PolarHBondContact O-N 3.03Å; R305-Q307 PolarHBondContact O-N 3.3Å
306	L	98.3	Very high	96.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.			trans	-64.2	128.8	-178.6	-163.4	70.4	0	0	0	110.1	L282 L285 L303 F309 L327 Y329 L330	L282-L306 HydrophobicContact CD2-CD1 4.13Å; L282-L306 HydrophobicContact CG-CD1 4.17Å; L282-L306 VanDerWaalsContact O-CA 3.31Å; L282-L306 WeakPolarHBondContact O-CA 3.16Å; L282-L306 PolarHBondContact O-N 3Å; L282-L306 VanDerWaalsContact O-N 3.11Å; L285-L306 HydrophobicContact CB-CD1 3.73Å; L285-L306 HydrophobicContact CB-CD2 4.48Å; L303-L306 HydrophobicContact CB-CB 4.15Å; L303-L306 HydrophobicContact CD1-CD2 4.34Å; L303-L306 WeakPolarHBondContact O-CB 3.16Å; L303-L306 PolarHBondContact O-N 2.85Å; L306-F309 HydrophobicContact CD2-CB 4.19Å; L306-L327 HydrophobicContact CB-CD2 4.22Å; L306-L327 HydrophobicContact CD2-CD1 3.97Å; L306-Y329 CarbonylContact O-C 3.56Å; L306-Y329 VanDerWaalsContact O-C 3.27Å; L306-L330 PolarHBondContact O-N 3.12Å
307	Q	98.3	Very high	96.7	Very high	55 Å²	55	45 Å²	45	26%	0.257	23%	0.228	S	C	.	.			trans	-115.4	-37.7	-177.8	-69.1	176.8	-2.8	0	0	111.4	R283 R305 Y329 K331 I332	R283-Q307 WeakPolarHBondContact O-CA 3.4Å; R283-Q307 PolarHBondContact O-N 3.2Å; R305-Q307 PolarHBondContact O-N 3.3Å; Q307-Y329 WeakPolarHBondContact CA-O 3.3Å; Q307-K331 PolarHBondContact O-N 3.35Å; Q307-I332 PolarHBondContact O-N 3.44Å
308	E	98.5	Very high	96.7	Very high	64 Å²	64	48.5 Å²	48.5	30%	0.299	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.7	-175.1	-57.6	-174.9	-160.6	0	0	109.6	R283 F284 L285 H310 I332	R283-E308 PolarHBondContact O-N 3.05Å; F284-E308 HydrophobicContact CD2-CB 3.75Å; F284-E308 HydrophobicContact CD2-CG 4.48Å; F284-E308 WeakPolarHBondContact CD2-OE2 3.49Å; F284-E308 HydrophobicContact CE2-CB 4.39Å; L285-E308 PolarHBondContact N-O 2.68Å; E308-H310 IonicContact OE2-NE2 3.11Å; E308-I332 HydrophobicContact CB-CB 4.29Å; E308-I332 HydrophobicContact CG-CB 4.01Å; E308-I332 HydrophobicContact CG-CD1 3.95Å; E308-I332 HydrophobicContact CG-CG1 4.06Å
309	F	98.5	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.8	174.9	-175.3	-137.7	0	0	0	111.1	I271 L285 L287 I295 L306 L311 F324 L330 I332 L333 N334	I271-F309 HydrophobicContact CD1-CZ 3.97Å; L285-F309 HydrophobicContact CB-CD2 3.93Å; L285-F309 HydrophobicContact CB-CE2 4.49Å; L285-F309 HydrophobicContact CD2-CD2 3.75Å; L285-F309 HydrophobicContact CD2-CE2 3.62Å; L285-F309 HydrophobicContact CG-CD2 3.77Å; L285-F309 HydrophobicContact CG-CE2 3.83Å; L285-F309 WeakPolarHBondContact O-CA 3.24Å; L285-F309 WeakPolarHBondContact O-CD2 3.44Å; L287-F309 HydrophobicContact CD1-CE2 4.04Å; L287-F309 HydrophobicContact CD1-CZ 4.39Å; L287-F309 HydrophobicContact CG-CE2 4.29Å; I295-F309 HydrophobicContact CD1-CE1 3.76Å; I295-F309 HydrophobicContact CD1-CZ 4.37Å; L306-F309 HydrophobicContact CD2-CB 4.19Å; F309-L311 HydrophobicContact CZ-CB 4.38Å; F309-F324 AromaticContact CD1-CE1 3.57Å; F309-F324 HydrophobicContact CD1-CE1 3.57Å; F309-F324 HydrophobicContact CD1-CZ 4.1Å; F309-F324 AromaticContact CE1-CE1 3.75Å; F309-F324 HydrophobicContact CE1-CE1 3.75Å; F309-F324 HydrophobicContact CE1-CZ 4.24Å; F309-L330 HydrophobicContact CB-CD1 4.1Å; F309-I332 PolarHBondContact N-O 3.03Å; F309-L333 HydrophobicContact CB-CD1 4.31Å; F309-L333 HydrophobicContact CD1-CD1 3.72Å; F309-L333 HydrophobicContact CG-CD1 4.42Å; F309-N334 PolarHBondContact O-N 2.96Å
310	H	98.7	Very high	96.8	Very high	33 Å²	33	42.7 Å²	42.7	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.3	-177.8	-65.8	-109.2	0	0	0	110.2	F284 L285 N286 L287 E308	F284-H310 AromaticContact CE2-CD2 3.63Å; F284-H310 AromaticContact CE2-NE2 3.74Å; L285-H310 PolarHBondContact O-N 3.49Å; N286-H310 WeakPolarHBondContact CA-O 3.22Å; N286-H310 HydrophobicContact CB-CB 4.13Å; L287-H310 PolarHBondContact N-O 3.37Å; E308-H310 IonicContact OE2-NE2 3.11Å
311	L	98.1	Very high	96.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.225	C	C	.	.			trans	-141.4	63	173.7	-176.5	58.1	0	0	0	108.2	L287 I292 I295 F309 L316 N334 V335 N338	L287-L311 HydrophobicContact CB-CD1 3.88Å; L287-L311 WeakPolarHBondContact O-CD1 3.46Å; I292-L311 HydrophobicContact CB-CD1 4.34Å; I292-L311 HydrophobicContact CB-CD2 4.49Å; I292-L311 HydrophobicContact CD1-CD1 3.79Å; I292-L311 HydrophobicContact CG2-CD2 4.21Å; I295-L311 HydrophobicContact CD1-CD2 3.85Å; I295-L311 HydrophobicContact CG1-CD2 4.13Å; F309-L311 HydrophobicContact CZ-CB 4.38Å; L311-L316 HydrophobicContact CD2-CD1 4.16Å; L311-L316 HydrophobicContact CD2-CD2 4.09Å; L311-N334 PolarHBondContact N-O 2.83Å; L311-V335 HydrophobicContact CB-CG1 4.43Å; L311-N338 PolarHBondContact O-ND2 2.98Å
312	V	98	Very high	96.8	Very high	21 Å²	21	47.3 Å²	47.3	13%	0.127	23%	0.234	C	C	.	.			trans	-85.4	145.7	-175.9	-178.5	0	0	0	0	111	S288 Y289 N334 S336	S288-V312 CarbonylContact C-O 3.33Å; S288-V312 WeakPolarHBondContact CA-O 3.46Å; S288-V312 WeakPolarHBondContact CB-O 3.35Å; S288-V312 PolarHBondContact OG-N 3.08Å; Y289-V312 PolarHBondContact N-O 3.33Å; V312-N334 HydrophobicContact CG2-CB 4.18Å; V312-N334 WeakPolarHBondContact CG2-OD1 3.39Å; V312-S336 CarbonylContact C-O 3.31Å; V312-S336 VanDerWaalsContact CA-O 3.31Å; V312-S336 WeakPolarHBondContact CA-O 3.33Å; V312-S336 WeakPolarHBondContact CG1-OG 3.26Å
313	G	94.3	Very high	96.9	Very high	29 Å²	29	44.4 Å²	44.4	30%	0.299	22%	0.218	S	C	.	.	S	Bend	trans	67.7	44.4	163.3	0	0	0	0	0	114.5	Y289 S336 G337	Y289-G313 WeakPolarHBondContact CA-O 3.26Å; Y289-G313 WeakPolarHBondContact CD1-O 3.45Å; G313-S336 PolarHBondContact N-O 2.77Å; G313-G337 CarbonylContact C-O 3.26Å; G313-G337 WeakPolarHBondContact CA-O 3.4Å; G313-G337 PolarHBondContact N-O 2.94Å
314	G	93.4	Very high	96.9	Very high	20 Å²	20	44.3 Å²	44.3	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	-121.6	-139.9	-174.6	0	0	0	0	0	113.4	N290 G337 N338	N290-G314 WeakPolarHBondContact O-CA 3.3Å; G314-G337 PolarHBondContact N-O 2.79Å; G314-N338 VanDerWaalsContact C-OD1 3.24Å; G314-N338 VanDerWaalsContact CA-OD1 3.27Å; G314-N338 WeakPolarHBondContact CA-OD1 3.16Å; G314-N338 PolarHBondContact N-OD1 3.15Å
315	R	96.1	Very high	97	Very high	176 Å²	176	46.3 Å²	46.3	66%	0.664	22%	0.219	S	C	*	.			trans	-131.3	26.5	175.7	-63.9	-174.4	-180	-179.3	0.9	112	I292 A317 N338	I292-R315 CarbonylContact O-C 3.55Å; R315-A317 PolarHBondContact O-N 3.41Å; R315-A317 VanDerWaalsContact O-N 3.13Å; R315-N338 PolarHBondContact N-OD1 3.09Å
316	L	98.1	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.			trans	-65.3	116.4	-174.7	-178	72.2	0	0	0	109.5	I292 I295 L311 M318 I319 V335 N338 S339 L340	I292-L316 VanDerWaalsContact O-CA 3.26Å; I292-L316 WeakPolarHBondContact O-CA 3.48Å; I292-L316 PolarHBondContact O-N 3.05Å; I295-L316 HydrophobicContact CD1-CD1 4.12Å; I295-L316 HydrophobicContact CD1-CD2 4.07Å; I295-L316 HydrophobicContact CG1-CD1 3.77Å; L311-L316 HydrophobicContact CD2-CD1 4.16Å; L311-L316 HydrophobicContact CD2-CD2 4.09Å; L316-M318 WeakPolarHBondContact CD1-O 3.41Å; L316-I319 HydrophobicContact CD1-CG1 4.44Å; L316-I319 HydrophobicContact CD2-CD1 3.88Å; L316-I319 HydrophobicContact CD2-CG1 3.86Å; L316-I319 HydrophobicContact CG-CG1 4.41Å; L316-V335 HydrophobicContact CD2-CB 4.15Å; L316-V335 HydrophobicContact CD2-CG1 4Å; L316-N338 HydrophobicContact CB-CB 3.9Å; L316-N338 VanDerWaalsContact CB-OD1 3.3Å; L316-N338 WeakPolarHBondContact CB-OD1 3.27Å; L316-N338 PolarHBondContact N-OD1 3.46Å; L316-S339 CarbonylContact O-C 3.6Å; L316-S339 WeakPolarHBondContact O-CA 3.21Å; L316-S339 PolarHBondContact O-N 2.83Å; L316-L340 PolarHBondContact O-N 3.38Å; L316-L340 VanDerWaalsContact O-N 3.08Å
317	A	97.1	Very high	96.7	Very high	29 Å²	29	42.7 Å²	42.7	24%	0.24	21%	0.21	C	C	.	.			trans	-105.4	-26.8	179.6	0	0	0	0	0	112.6	H293 R315	H293-A317 VanDerWaalsContact CE1-CB 3.46Å; H293-A317 WeakPolarHBondContact CE1-CB 3.37Å; H293-A317 PolarHBondContact O-N 2.93Å; R315-A317 PolarHBondContact O-N 3.41Å; R315-A317 VanDerWaalsContact O-N 3.13Å
318	M	96.4	Very high	96.5	Very high	93 Å²	93	43.1 Å²	43.1	46%	0.458	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.9	-174.8	-172.4	175.5	-176.7	0	0	111.9	H293 T294 I295 L316 E320	H293-M318 PolarHBondContact O-N 3.03Å; T294-M318 WeakPolarHBondContact CA-O 3.38Å; I295-M318 PolarHBondContact N-O 3.24Å; I295-M318 VanDerWaalsContact N-O 3.1Å; L316-M318 WeakPolarHBondContact CD1-O 3.41Å; M318-E320 HydrophobicContact CE-CG 4.06Å; M318-E320 HydrophobicContact SD-CG 4.4Å
319	I	98	Very high	96.4	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.1	164.9	-63.8	172.7	0	0	0	105.9	I295 L316 F324 V335 L340 L343 A347	I295-I319 HydrophobicContact CB-CG1 4.4Å; I295-I319 HydrophobicContact CB-CG2 4.45Å; I295-I319 HydrophobicContact CD1-CD1 4.24Å; I295-I319 HydrophobicContact CD1-CG1 3.96Å; I295-I319 HydrophobicContact CG1-CG1 4.46Å; L316-I319 HydrophobicContact CD1-CG1 4.44Å; L316-I319 HydrophobicContact CD2-CD1 3.88Å; L316-I319 HydrophobicContact CD2-CG1 3.86Å; L316-I319 HydrophobicContact CG-CG1 4.41Å; I319-F324 HydrophobicContact CG2-CE2 3.98Å; I319-F324 HydrophobicContact CG2-CZ 4.31Å; I319-V335 HydrophobicContact CD1-CG1 4.34Å; I319-L340 HydrophobicContact CD1-CD1 4.31Å; I319-L340 HydrophobicContact CD1-CD2 4.07Å; I319-L340 HydrophobicContact CG1-CD1 4.12Å; I319-L343 HydrophobicContact CB-CD1 4.23Å; I319-L343 HydrophobicContact CD1-CD1 3.72Å; I319-L343 HydrophobicContact CG2-CD1 4.19Å; I319-A347 HydrophobicContact CG2-CB 3.91Å
320	E	95.9	Very high	96.3	Very high	43 Å²	43	46.9 Å²	46.9	20%	0.201	23%	0.227	C	C	.	.			trans	-68.6	152.4	-178.3	-70.5	-167.9	150.1	0	0	111	I295 G297 M318 S323 K462	I295-E320 WeakPolarHBondContact O-CB 3.45Å; I295-E320 PolarHBondContact O-N 3.28Å; G297-E320 PolarHBondContact N-OE2 2.61Å; M318-E320 HydrophobicContact CE-CG 4.06Å; M318-E320 HydrophobicContact SD-CG 4.4Å; E320-S323 PolarHBondContact N-OG 3.07Å; E320-S323 VanDerWaalsContact O-CB 3.29Å; E320-S323 WeakPolarHBondContact O-CB 3.47Å; E320-S323 PolarHBondContact O-N 3.3Å; E320-S323 PolarHBondContact O-OG 3.27Å; E320-K462 IonicContact OE1-NZ 3.17Å; E320-K462 PolarHBondContact OE1-NZ 3.32Å
321	P	94.4	Very high	96.3	Very high	42 Å²	42	48.8 Å²	48.8	27%	0.273	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	144.4	168.8	-28.7	37	0	0	0	111.8	G297 S323 S346	G297-P321 WeakPolarHBondContact CA-O 3.46Å; P321-S323 PolarHBondContact O-N 3.45Å; P321-S346 WeakPolarHBondContact CB-OG 3.43Å
322	Y	96.8	Very high	96.3	Very high	130 Å²	130	50.4 Å²	50.4	51%	0.51	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	14.1	-178.1	-42.2	-67.7	0	0	0	115.7	N298 F324 R325 S346 A347	N298-Y322 PolarHBondContact N-O 3.27Å; Y322-F324 VanDerWaalsContact C-N 3.25Å; Y322-F324 PolarHBondContact O-N 3.43Å; Y322-R325 WeakPolarHBondContact O-CB 3.22Å; Y322-R325 PolarHBondContact O-N 2.88Å; Y322-R325 VanDerWaalsContact O-N 3.09Å; Y322-S346 WeakPolarHBondContact CA-O 3.46Å; Y322-S346 PolarHBondContact N-O 3.16Å; Y322-A347 CarbonylContact C-O 3.57Å
323	S	97.6	Very high	96.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-41.7	176	-74.5	0	0	0	0	113.7	I295 E320 P321 A347	I295-S323 PolarHBondContact O-OG 3.06Å; I295-S323 VanDerWaalsContact O-OG 3.06Å; E320-S323 PolarHBondContact N-OG 3.07Å; E320-S323 VanDerWaalsContact O-CB 3.29Å; E320-S323 WeakPolarHBondContact O-CB 3.47Å; E320-S323 PolarHBondContact O-N 3.3Å; E320-S323 PolarHBondContact O-OG 3.27Å; P321-S323 PolarHBondContact O-N 3.45Å; S323-A347 PolarHBondContact N-O 3.24Å
324	F	97.3	Very high	96.5	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-105.1	24.6	-179.2	-50.2	-57.7	0	0	0	112.2	I295 L300 F309 I319 Y322 G326 L327 L330 L333 A347 F348 H349	I295-F324 HydrophobicContact CD1-CZ 4.14Å; I295-F324 HydrophobicContact CG2-CE1 4.43Å; L300-F324 HydrophobicContact CD1-CD1 4.48Å; L300-F324 HydrophobicContact CD1-CE1 4.47Å; F309-F324 AromaticContact CD1-CE1 3.57Å; F309-F324 HydrophobicContact CD1-CE1 3.57Å; F309-F324 HydrophobicContact CD1-CZ 4.1Å; F309-F324 AromaticContact CE1-CE1 3.75Å; F309-F324 HydrophobicContact CE1-CE1 3.75Å; F309-F324 HydrophobicContact CE1-CZ 4.24Å; I319-F324 HydrophobicContact CG2-CE2 3.98Å; I319-F324 HydrophobicContact CG2-CZ 4.31Å; Y322-F324 VanDerWaalsContact C-N 3.25Å; Y322-F324 PolarHBondContact O-N 3.43Å; F324-G326 PolarHBondContact O-N 2.62Å; F324-L327 HydrophobicContact CB-CB 4.42Å; F324-L327 HydrophobicContact CB-CD1 3.9Å; F324-L327 HydrophobicContact CB-CG 4.31Å; F324-L327 HydrophobicContact CD1-CD1 3.82Å; F324-L327 HydrophobicContact CG-CD1 4.32Å; F324-L327 WeakPolarHBondContact O-CB 3.42Å; F324-L327 PolarHBondContact O-N 3.49Å; F324-L330 HydrophobicContact CB-CD2 4.14Å; F324-L330 HydrophobicContact CD1-CD2 4.3Å; F324-L330 HydrophobicContact CD2-CD2 4.38Å; F324-L330 HydrophobicContact CG-CD2 4.01Å; F324-L333 HydrophobicContact CE1-CD1 4.36Å; F324-L333 HydrophobicContact CE2-CD1 4.27Å; F324-L333 HydrophobicContact CE2-CD2 3.79Å; F324-L333 HydrophobicContact CZ-CD1 3.76Å; F324-L333 HydrophobicContact CZ-CD2 4.1Å; F324-A347 WeakPolarHBondContact CA-O 3.42Å; F324-A347 WeakPolarHBondContact CB-O 3.25Å; F324-A347 HydrophobicContact CD2-CB 4.37Å; F324-A347 PolarHBondContact N-O 3.18Å; F324-F348 HydrophobicContact CB-CD1 4.43Å; F324-F348 AromaticContact CD2-CD1 3.85Å; F324-F348 HydrophobicContact CD2-CD1 3.85Å; F324-F348 AromaticContact CD2-CE1 3.77Å; F324-F348 HydrophobicContact CD2-CE1 3.77Å; F324-F348 HydrophobicContact CD2-CG 4.38Å; F324-F348 HydrophobicContact CD2-CZ 4.23Å; F324-F348 HydrophobicContact CE2-CE1 4.15Å; F324-F348 HydrophobicContact CE2-CZ 4.29Å; F324-H349 WeakPolarHBondContact O-CB 3.43Å; F324-H349 PolarHBondContact O-N 3Å
325	R	95.3	Very high	96.7	Very high	131 Å²	131	47.9 Å²	47.9	49%	0.494	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	133.2	175	-175.7	175.6	179.7	-177.4	0.6	110	H301 Y322 L327	H301-R325 VanDerWaalsContact CA-O 3.28Å; H301-R325 WeakPolarHBondContact CA-O 3.4Å; H301-R325 WeakPolarHBondContact CB-O 3.38Å; Y322-R325 WeakPolarHBondContact O-CB 3.22Å; Y322-R325 PolarHBondContact O-N 2.88Å; Y322-R325 VanDerWaalsContact O-N 3.09Å; R325-L327 VanDerWaalsContact C-N 3.29Å
326	G	93.3	Very high	96.8	Very high	15 Å²	15	39.5 Å²	39.5	16%	0.155	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-12.5	-176.8	0	0	0	0	0	114.3	F324 N328 H349	F324-G326 PolarHBondContact O-N 2.62Å; G326-N328 VanDerWaalsContact C-N 3.27Å; G326-N328 PolarHBondContact O-N 2.91Å; G326-N328 PolarHBondContact O-OD1 3.05Å; G326-H349 PolarHBondContact N-ND1 3.08Å
327	L	96.2	Very high	96.8	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.199	C	C	.	.			trans	-82.8	71.4	178.6	-54.5	-169.5	0	0	0	111.2	L300 L303 L306 F324 R325 Y329 L330	L300-L327 HydrophobicContact CB-CD1 4.49Å; L300-L327 WeakPolarHBondContact O-CD2 3.34Å; L303-L327 HydrophobicContact CB-CD2 3.97Å; L303-L327 WeakPolarHBondContact O-CD2 3.4Å; L306-L327 HydrophobicContact CB-CD2 4.22Å; L306-L327 HydrophobicContact CD2-CD1 3.97Å; F324-L327 HydrophobicContact CB-CB 4.42Å; F324-L327 HydrophobicContact CB-CD1 3.9Å; F324-L327 HydrophobicContact CB-CG 4.31Å; F324-L327 HydrophobicContact CD1-CD1 3.82Å; F324-L327 HydrophobicContact CG-CD1 4.32Å; F324-L327 WeakPolarHBondContact O-CB 3.42Å; F324-L327 PolarHBondContact O-N 3.49Å; R325-L327 VanDerWaalsContact C-N 3.29Å; L327-Y329 PolarHBondContact O-N 3.15Å; L327-L330 HydrophobicContact CB-CB 4.16Å; L327-L330 PolarHBondContact O-N 2.91Å
328	N	94.1	Very high	96.8	Very high	63 Å²	63	40 Å²	40	34%	0.337	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.7	-172.4	-62.2	-7.8	0	0	0	113.3	G326 H349 N353	G326-N328 VanDerWaalsContact C-N 3.27Å; G326-N328 PolarHBondContact O-N 2.91Å; G326-N328 PolarHBondContact O-OD1 3.05Å; N328-H349 PolarHBondContact OD1-CD2 3.17Å; N328-H349 VanDerWaalsContact OD1-CG 3.32Å; N328-H349 PolarHBondContact OD1-NE2 3.14Å; N328-N353 PolarHBondContact O-ND2 3.22Å
329	Y	96.3	Very high	96.9	Very high	138 Å²	138	38.4 Å²	38.4	54%	0.541	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	12.6	-174.9	-58.6	-81.7	0	0	0	113.4	L304 L306 Q307 L327 K331	L304-Y329 VanDerWaalsContact O-CD2 3.3Å; L304-Y329 WeakPolarHBondContact O-CD2 3.39Å; L306-Y329 CarbonylContact O-C 3.56Å; L306-Y329 VanDerWaalsContact O-C 3.27Å; Q307-Y329 WeakPolarHBondContact CA-O 3.3Å; L327-Y329 PolarHBondContact O-N 3.15Å; Y329-K331 PolarHBondContact O-N 2.91Å
330	L	97.8	Very high	96.9	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.186	C	C	.	.			trans	-65.3	109.7	-179.8	-172.8	69	0	0	0	110.3	L306 F309 F324 L327 F348 N353	L306-L330 PolarHBondContact O-N 3.12Å; F309-L330 HydrophobicContact CB-CD1 4.1Å; F324-L330 HydrophobicContact CB-CD2 4.14Å; F324-L330 HydrophobicContact CD1-CD2 4.3Å; F324-L330 HydrophobicContact CD2-CD2 4.38Å; F324-L330 HydrophobicContact CG-CD2 4.01Å; L327-L330 HydrophobicContact CB-CB 4.16Å; L327-L330 PolarHBondContact O-N 2.91Å; L330-F348 HydrophobicContact CD2-CD1 4.16Å; L330-F348 HydrophobicContact CD2-CE1 4.04Å; L330-N353 CarbonylContact O-C 3.51Å
331	K	97.3	Very high	96.9	Very high	73 Å²	73	39 Å²	39	32%	0.317	20%	0.196	S	C	.	.			trans	-100	-38.2	-179.1	-72.7	168.5	170.5	-103.2	0	112.2	Q307 Y329 E355 T356	Q307-K331 PolarHBondContact O-N 3.35Å; Y329-K331 PolarHBondContact O-N 2.91Å; K331-E355 HydrophobicContact CB-CG 4.5Å; K331-E355 HydrophobicContact CG-CG 4.48Å; K331-E355 IonicContact NZ-OE1 3.31Å; K331-E355 PolarHBondContact NZ-OE1 2.55Å; K331-E355 IonicContact NZ-OE2 2.75Å; K331-E355 PolarHBondContact O-N 3.49Å; K331-T356 PolarHBondContact O-N 2.88Å
332	I	98.3	Very high	97.1	Very high	35 Å²	35	37.8 Å²	37.8	18%	0.179	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.5	-173.4	-52.1	-171.8	0	0	0	109.2	Q307 E308 F309 T356	Q307-I332 PolarHBondContact O-N 3.44Å; E308-I332 HydrophobicContact CB-CB 4.29Å; E308-I332 HydrophobicContact CG-CB 4.01Å; E308-I332 HydrophobicContact CG-CD1 3.95Å; E308-I332 HydrophobicContact CG-CG1 4.06Å; F309-I332 PolarHBondContact N-O 3.03Å; I332-T356 WeakPolarHBondContact CA-O 3.42Å; I332-T356 HydrophobicContact CG2-CG2 4.12Å
333	L	98.3	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.4	165.2	179.5	66.2	0	0	0	108.7	F309 F324 V335 L343 F348 L354 T356 L357 A358	F309-L333 HydrophobicContact CB-CD1 4.31Å; F309-L333 HydrophobicContact CD1-CD1 3.72Å; F309-L333 HydrophobicContact CG-CD1 4.42Å; F324-L333 HydrophobicContact CE1-CD1 4.36Å; F324-L333 HydrophobicContact CE2-CD1 4.27Å; F324-L333 HydrophobicContact CE2-CD2 3.79Å; F324-L333 HydrophobicContact CZ-CD1 3.76Å; F324-L333 HydrophobicContact CZ-CD2 4.1Å; L333-V335 HydrophobicContact CD1-CG1 3.82Å; L333-V335 HydrophobicContact CG-CG1 4.07Å; L333-L343 HydrophobicContact CD2-CD2 4.32Å; L333-F348 HydrophobicContact CD2-CE1 3.9Å; L333-F348 HydrophobicContact CD2-CZ 3.58Å; L333-L354 HydrophobicContact CB-CD1 4.21Å; L333-T356 PolarHBondContact N-O 3.32Å; L333-L357 HydrophobicContact CB-CD1 4.09Å; L333-L357 HydrophobicContact CD2-CD1 3.94Å; L333-L357 HydrophobicContact CG-CD1 4.24Å; L333-L357 WeakPolarHBondContact O-CA 3.32Å; L333-A358 PolarHBondContact O-N 2.85Å
334	N	98.4	Very high	97	Very high	16 Å²	16	35 Å²	35	9%	0.086	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.4	173.6	-170	-10.5	0	0	0	110.5	F309 L311 V312 S336 A358	F309-N334 PolarHBondContact O-N 2.96Å; L311-N334 PolarHBondContact N-O 2.83Å; V312-N334 HydrophobicContact CG2-CB 4.18Å; V312-N334 WeakPolarHBondContact CG2-OD1 3.39Å; N334-S336 WeakPolarHBondContact OD1-CB 3.41Å; N334-S336 PolarHBondContact OD1-N 2.91Å; N334-S336 PolarHBondContact OD1-OG 2.98Å; N334-A358 HydrophobicContact CB-CB 4.02Å; N334-A358 VanDerWaalsContact CG-CB 3.48Å; N334-A358 WeakPolarHBondContact OD1-CB 3.4Å
335	V	98.1	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.			trans	-125	27.8	178.2	-66.3	0	0	0	0	110.7	L311 L316 I319 L333 N338 L340 A358 L359 N362	L311-V335 HydrophobicContact CB-CG1 4.43Å; L316-V335 HydrophobicContact CD2-CB 4.15Å; L316-V335 HydrophobicContact CD2-CG1 4Å; I319-V335 HydrophobicContact CD1-CG1 4.34Å; L333-V335 HydrophobicContact CD1-CG1 3.82Å; L333-V335 HydrophobicContact CG-CG1 4.07Å; V335-N338 PolarHBondContact O-ND2 3.11Å; V335-L340 HydrophobicContact CG2-CD2 4.35Å; V335-A358 PolarHBondContact N-O 2.96Å; V335-L359 HydrophobicContact CG2-CD2 3.65Å; V335-N362 PolarHBondContact O-ND2 3.32Å
336	S	97.9	Very high	97	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.19	C	C	.	.			trans	-64.2	154.3	178.2	55.1	0	0	0	0	112.9	V312 G313 N334 N338 A358 Y360	V312-S336 CarbonylContact C-O 3.31Å; V312-S336 VanDerWaalsContact CA-O 3.31Å; V312-S336 WeakPolarHBondContact CA-O 3.33Å; V312-S336 WeakPolarHBondContact CG1-OG 3.26Å; G313-S336 PolarHBondContact N-O 2.77Å; N334-S336 WeakPolarHBondContact OD1-CB 3.41Å; N334-S336 PolarHBondContact OD1-N 2.91Å; N334-S336 PolarHBondContact OD1-OG 2.98Å; S336-N338 PolarHBondContact O-ND2 2.93Å; S336-A358 PolarHBondContact N-O 3.34Å; S336-Y360 VanDerWaalsContact CA-O 3.22Å; S336-Y360 WeakPolarHBondContact CA-O 3.21Å; S336-Y360 WeakPolarHBondContact CB-O 3.13Å; S336-Y360 PolarHBondContact OG-OH 2.96Å
337	G	97.5	Very high	97.2	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	18%	0.182	S	C	.	.	S	Bend	trans	65.9	47	177.4	0	0	0	0	0	112.9	G313 G314 Y360 D361	G313-G337 CarbonylContact C-O 3.26Å; G313-G337 WeakPolarHBondContact CA-O 3.4Å; G313-G337 PolarHBondContact N-O 2.94Å; G314-G337 PolarHBondContact N-O 2.79Å; G337-Y360 PolarHBondContact N-O 3.35Å; G337-Y360 VanDerWaalsContact N-O 3.16Å; G337-D361 CarbonylContact C-O 2.99Å; G337-D361 WeakPolarHBondContact CA-O 3.36Å; G337-D361 PolarHBondContact N-O 3.36Å
338	N	98.4	Very high	97.2	Very high	11 Å²	11	35 Å²	35	6%	0.059	19%	0.185	C	C	.	.	S	Bend	trans	-130.6	-170.1	179.6	-79.6	-73.3	0	0	0	110.7	L311 G314 R315 L316 V335 S336 D361 N362 P363	L311-N338 PolarHBondContact O-ND2 2.98Å; G314-N338 VanDerWaalsContact C-OD1 3.24Å; G314-N338 VanDerWaalsContact CA-OD1 3.27Å; G314-N338 WeakPolarHBondContact CA-OD1 3.16Å; G314-N338 PolarHBondContact N-OD1 3.15Å; R315-N338 PolarHBondContact N-OD1 3.09Å; L316-N338 HydrophobicContact CB-CB 3.9Å; L316-N338 VanDerWaalsContact CB-OD1 3.3Å; L316-N338 WeakPolarHBondContact CB-OD1 3.27Å; L316-N338 PolarHBondContact N-OD1 3.46Å; V335-N338 PolarHBondContact O-ND2 3.11Å; S336-N338 PolarHBondContact O-ND2 2.93Å; N338-D361 PolarHBondContact N-O 3.2Å; N338-D361 VanDerWaalsContact N-O 3.08Å; N338-N362 WeakPolarHBondContact CA-OD1 3.44Å; N338-N362 WeakPolarHBondContact CB-OD1 3.43Å; N338-N362 PolarHBondContact N-OD1 3.46Å; N338-N362 PolarHBondContact O-OD1 2.94Å; N338-P363 WeakPolarHBondContact O-CD 3.27Å
339	S	97.6	Very high	97.2	Very high	60 Å²	60	36.7 Å²	36.7	42%	0.42	19%	0.19	S	C	.	.			trans	-107.1	26.8	179.9	-57.6	0	0	0	0	111.9	L316 T341	L316-S339 CarbonylContact O-C 3.6Å; L316-S339 WeakPolarHBondContact O-CA 3.21Å; L316-S339 PolarHBondContact O-N 2.83Å; S339-T341 PolarHBondContact O-N 2.82Å
340	L	97.9	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.			trans	-73.2	127.9	-173.9	-168.3	69.2	0	0	0	110.2	L316 I319 V335 T342 L343 L359 N362 P363	L316-L340 PolarHBondContact O-N 3.38Å; L316-L340 VanDerWaalsContact O-N 3.08Å; I319-L340 HydrophobicContact CD1-CD1 4.31Å; I319-L340 HydrophobicContact CD1-CD2 4.07Å; I319-L340 HydrophobicContact CG1-CD1 4.12Å; V335-L340 HydrophobicContact CG2-CD2 4.35Å; L340-T342 WeakPolarHBondContact CD1-O 3.27Å; L340-T342 WeakPolarHBondContact CD2-O 3.36Å; L340-T342 WeakPolarHBondContact CG-O 3.4Å; L340-L343 HydrophobicContact CD2-CB 4.28Å; L340-L359 HydrophobicContact CD2-CD2 3.87Å; L340-N362 HydrophobicContact CB-CB 4.29Å; L340-N362 WeakPolarHBondContact CB-OD1 3.48Å; L340-N362 PolarHBondContact N-OD1 3.39Å; L340-P363 CarbonylContact O-C 3.32Å; L340-P363 WeakPolarHBondContact O-CD 3.4Å
341	T	97.2	Very high	96.7	Very high	65 Å²	65	32.6 Å²	32.6	40%	0.399	18%	0.182	S	C	.	.			trans	-91.3	-27.3	175.6	56.4	0	0	0	0	112.6	S339 L364 A365	S339-T341 PolarHBondContact O-N 2.82Å; T341-L364 CarbonylContact O-C 3.46Å; T341-L364 WeakPolarHBondContact O-CA 3.48Å; T341-A365 PolarHBondContact O-N 3.4Å
342	T	97.8	Very high	96.4	Very high	17 Å²	17	31.6 Å²	31.6	10%	0.104	19%	0.193	C	C	.	.			trans	-157.4	166.2	-179.9	-163	0	0	0	0	111.3	L340 R369	L340-T342 WeakPolarHBondContact CD1-O 3.27Å; L340-T342 WeakPolarHBondContact CD2-O 3.36Å; L340-T342 WeakPolarHBondContact CG-O 3.4Å; T342-R369 VanDerWaalsContact CG2-NH1 3.31Å; T342-R369 WeakPolarHBondContact OG1-CB 3.36Å
343	L	97.6	Very high	96.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.204	C	C	.	.			trans	-137.1	108.7	170.8	177.8	63.5	0	0	0	108.5	I319 L333 L340 A347 F348 L357 L359 L370 W372	I319-L343 HydrophobicContact CB-CD1 4.23Å; I319-L343 HydrophobicContact CD1-CD1 3.72Å; I319-L343 HydrophobicContact CG2-CD1 4.19Å; L333-L343 HydrophobicContact CD2-CD2 4.32Å; L340-L343 HydrophobicContact CD2-CB 4.28Å; L343-A347 HydrophobicContact CD1-CB 4.27Å; L343-F348 HydrophobicContact CD1-CE2 4.03Å; L343-F348 HydrophobicContact CD1-CZ 4.38Å; L343-F348 HydrophobicContact CD2-CE2 3.87Å; L343-F348 HydrophobicContact CD2-CZ 3.94Å; L343-F348 HydrophobicContact CG-CE2 3.99Å; L343-F348 HydrophobicContact CG-CZ 4.47Å; L343-L357 HydrophobicContact CD2-CD1 3.9Å; L343-L357 HydrophobicContact CD2-CD2 4.24Å; L343-L359 HydrophobicContact CD2-CD1 4.17Å; L343-L359 HydrophobicContact CD2-CD2 4.15Å; L343-L370 HydrophobicContact CB-CD2 4.24Å; L343-W372 HydrophobicContact CD2-CH2 4.31Å; L343-W372 HydrophobicContact CD2-CZ2 3.91Å; L343-W372 HydrophobicContact CG-CZ2 3.96Å; L343-W372 PolarHBondContact O-NE1 3.39Å
344	E	95.4	Very high	95.9	Very high	71 Å²	71	34.1 Å²	34.1	33%	0.332	21%	0.206	S	C	.	.			trans	-76.9	144.9	-179.8	-64.9	-171.7	-161	0	0	112	S346 A347	E344-S346 WeakPolarHBondContact CB-OG 3.43Å; E344-S346 PolarHBondContact O-N 3.3Å; E344-S346 PolarHBondContact OE2-OG 3.47Å; E344-S346 VanDerWaalsContact OE2-OG 3.11Å; E344-A347 VanDerWaalsContact O-CB 3.26Å; E344-A347 WeakPolarHBondContact O-CB 3.31Å; E344-A347 PolarHBondContact O-N 3.1Å; E344-A347 VanDerWaalsContact O-N 3.12Å
345	E	95.9	Very high	95.8	Very high	98 Å²	98	38 Å²	38	46%	0.458	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-59.9	-32.5	175.4	-160.1	175.8	-178.8	0	0	111.6	A347 F348 V351 W372	E345-A347 PolarHBondContact O-N 3.33Å; E345-A347 VanDerWaalsContact O-N 3.15Å; E345-F348 PolarHBondContact O-N 2.93Å; E345-F348 VanDerWaalsContact O-N 3.17Å; E345-V351 HydrophobicContact CG-CG2 3.75Å; E345-W372 HydrophobicContact CB-CB 4.42Å; E345-W372 HydrophobicContact CB-CD2 4.18Å; E345-W372 HydrophobicContact CB-CG 3.87Å; E345-W372 HydrophobicContact CG-CB 4.38Å; E345-W372 HydrophobicContact CG-CD2 4.15Å; E345-W372 HydrophobicContact CG-CG 4.08Å
346	S	95.3	Very high	95.8	Very high	36 Å²	36	39 Å²	39	25%	0.252	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-61.8	-18.1	178.2	65.8	0	0	0	0	113.7	P321 Y322 E344 F348	P321-S346 WeakPolarHBondContact CB-OG 3.43Å; Y322-S346 WeakPolarHBondContact CA-O 3.46Å; Y322-S346 PolarHBondContact N-O 3.16Å; E344-S346 WeakPolarHBondContact CB-OG 3.43Å; E344-S346 PolarHBondContact O-N 3.3Å; E344-S346 PolarHBondContact OE2-OG 3.47Å; E344-S346 VanDerWaalsContact OE2-OG 3.11Å; S346-F348 PolarHBondContact O-N 2.81Å
347	A	97.4	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-63.7	-27.8	175.6	0	0	0	0	0	112.2	I319 Y322 S323 F324 L343 E344 E345	I319-A347 HydrophobicContact CG2-CB 3.91Å; Y322-A347 CarbonylContact C-O 3.57Å; S323-A347 PolarHBondContact N-O 3.24Å; F324-A347 WeakPolarHBondContact CA-O 3.42Å; F324-A347 WeakPolarHBondContact CB-O 3.25Å; F324-A347 HydrophobicContact CD2-CB 4.37Å; F324-A347 PolarHBondContact N-O 3.18Å; L343-A347 HydrophobicContact CD1-CB 4.27Å; E344-A347 VanDerWaalsContact O-CB 3.26Å; E344-A347 WeakPolarHBondContact O-CB 3.31Å; E344-A347 PolarHBondContact O-N 3.1Å; E344-A347 VanDerWaalsContact O-N 3.12Å; E345-A347 PolarHBondContact O-N 3.33Å; E345-A347 VanDerWaalsContact O-N 3.15Å
348	F	97.1	Very high	95.8	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.079	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-96.6	147.7	-172.8	-63.9	-88.1	0	0	0	112.9	F324 L330 L333 L343 E345 S346 V351 L354 W372	F324-F348 HydrophobicContact CB-CD1 4.43Å; F324-F348 AromaticContact CD2-CD1 3.85Å; F324-F348 HydrophobicContact CD2-CD1 3.85Å; F324-F348 AromaticContact CD2-CE1 3.77Å; F324-F348 HydrophobicContact CD2-CE1 3.77Å; F324-F348 HydrophobicContact CD2-CG 4.38Å; F324-F348 HydrophobicContact CD2-CZ 4.23Å; F324-F348 HydrophobicContact CE2-CE1 4.15Å; F324-F348 HydrophobicContact CE2-CZ 4.29Å; L330-F348 HydrophobicContact CD2-CD1 4.16Å; L330-F348 HydrophobicContact CD2-CE1 4.04Å; L333-F348 HydrophobicContact CD2-CE1 3.9Å; L333-F348 HydrophobicContact CD2-CZ 3.58Å; L343-F348 HydrophobicContact CD1-CE2 4.03Å; L343-F348 HydrophobicContact CD1-CZ 4.38Å; L343-F348 HydrophobicContact CD2-CE2 3.87Å; L343-F348 HydrophobicContact CD2-CZ 3.94Å; L343-F348 HydrophobicContact CG-CE2 3.99Å; L343-F348 HydrophobicContact CG-CZ 4.47Å; E345-F348 PolarHBondContact O-N 2.93Å; E345-F348 VanDerWaalsContact O-N 3.17Å; S346-F348 PolarHBondContact O-N 2.81Å; F348-V351 HydrophobicContact CB-CG2 3.69Å; F348-V351 HydrophobicContact CD2-CG2 4.02Å; F348-V351 HydrophobicContact CG-CG2 3.99Å; F348-L354 HydrophobicContact CE1-CD1 4.32Å; F348-L354 HydrophobicContact CE1-CD2 4.16Å; F348-L354 HydrophobicContact CZ-CD2 4.18Å; F348-W372 HydrophobicContact CD2-CH2 4.34Å; F348-W372 HydrophobicContact CD2-CZ2 4.4Å; F348-W372 AromaticContact CE2-CH2 3.77Å; F348-W372 HydrophobicContact CE2-CH2 3.77Å; F348-W372 AromaticContact CE2-CZ2 3.83Å; F348-W372 HydrophobicContact CE2-CZ2 3.83Å; F348-W372 HydrophobicContact CZ-CH2 4.38Å
349	H	94.6	Very high	95.7	Very high	97 Å²	97	37.1 Å²	37.1	45%	0.449	21%	0.214	S	C	.	.	S	Bend	trans	-67.8	-49.2	164.7	-175.1	83.5	0	0	0	111.8	F324 G326 N328	F324-H349 WeakPolarHBondContact O-CB 3.43Å; F324-H349 PolarHBondContact O-N 3Å; G326-H349 PolarHBondContact N-ND1 3.08Å; N328-H349 PolarHBondContact OD1-CD2 3.17Å; N328-H349 VanDerWaalsContact OD1-CG 3.32Å; N328-H349 PolarHBondContact OD1-NE2 3.14Å
350	S	90.3	Very high	95.7	Very high	50 Å²	50	35.8 Å²	35.8	35%	0.35	20%	0.2	S	C	.	.			trans	-148.3	116.3	177.2	178.4	0	0	0	0	110	G352	S350-G352 PolarHBondContact O-N 2.89Å; S350-G352 PolarHBondContact OG-N 3.46Å
351	V	92.3	Very high	95.6	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.055	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-76.6	-12.2	175.5	-171.5	0	0	0	0	111.5	E345 F348 N353 L354 W372 R376	E345-V351 HydrophobicContact CG-CG2 3.75Å; F348-V351 HydrophobicContact CB-CG2 3.69Å; F348-V351 HydrophobicContact CD2-CG2 4.02Å; F348-V351 HydrophobicContact CG-CG2 3.99Å; V351-N353 VanDerWaalsContact C-N 3.26Å; V351-N353 PolarHBondContact O-N 3.47Å; V351-L354 PolarHBondContact O-N 3.32Å; V351-W372 HydrophobicContact CG1-CE3 3.72Å; V351-W372 HydrophobicContact CG1-CH2 4.12Å; V351-W372 HydrophobicContact CG1-CZ3 3.29Å; V351-R376 PolarHBondContact O-NH1 3.29Å
352	G	91.1	Very high	95.7	Very high	52 Å²	52	38.8 Å²	38.8	54%	0.536	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-62.7	-30.8	179.8	0	0	0	0	0	113.9	S350	S350-G352 PolarHBondContact O-N 2.89Å; S350-G352 PolarHBondContact OG-N 3.46Å
353	N	91.7	Very high	95.7	Very high	76 Å²	76	40.8 Å²	40.8	41%	0.406	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-92.3	-5.9	-176.1	-63.3	-21.6	0	0	0	113.4	N328 L330 V351 E355	N328-N353 PolarHBondContact O-ND2 3.22Å; L330-N353 CarbonylContact O-C 3.51Å; V351-N353 VanDerWaalsContact C-N 3.26Å; V351-N353 PolarHBondContact O-N 3.47Å; N353-E355 PolarHBondContact O-N 3.29Å
354	L	95.6	Very high	95.7	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.058	23%	0.226	C	C	.	.			trans	-74.5	117.3	-179.9	-167	70.8	0	0	0	109.4	L333 F348 V351 L357 W372 L380	L333-L354 HydrophobicContact CB-CD1 4.21Å; F348-L354 HydrophobicContact CE1-CD1 4.32Å; F348-L354 HydrophobicContact CE1-CD2 4.16Å; F348-L354 HydrophobicContact CZ-CD2 4.18Å; V351-L354 PolarHBondContact O-N 3.32Å; L354-L357 HydrophobicContact CD2-CB 4.05Å; L354-L357 HydrophobicContact CD2-CD1 4.34Å; L354-L357 HydrophobicContact CD2-CD2 4.19Å; L354-L357 HydrophobicContact CD2-CG 4.42Å; L354-W372 HydrophobicContact CD2-CH2 4.47Å; L354-L380 HydrophobicContact CB-CD2 4.23Å; L354-L380 HydrophobicContact CD2-CD2 4Å; L354-L380 HydrophobicContact CG-CD2 4.01Å; L354-L380 WeakPolarHBondContact O-CD2 3.37Å
355	E	95.5	Very high	95.8	Very high	99 Å²	99	37.9 Å²	37.9	46%	0.463	22%	0.215	S	C	.	.			trans	-99.5	-42.5	-179.2	-65.5	172.1	-165.8	0	0	110.4	K331 N353 N381	K331-E355 HydrophobicContact CB-CG 4.5Å; K331-E355 HydrophobicContact CG-CG 4.48Å; K331-E355 IonicContact NZ-OE1 3.31Å; K331-E355 PolarHBondContact NZ-OE1 2.55Å; K331-E355 IonicContact NZ-OE2 2.75Å; K331-E355 PolarHBondContact O-N 3.49Å; N353-E355 PolarHBondContact O-N 3.29Å; E355-N381 PolarHBondContact O-N 2.69Å
356	T	97.4	Very high	95.9	Very high	19 Å²	19	33.4 Å²	33.4	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.4	-177.3	-58.2	0	0	0	0	110.7	K331 I332 L333 N381 N383	K331-T356 PolarHBondContact O-N 2.88Å; I332-T356 WeakPolarHBondContact CA-O 3.42Å; I332-T356 HydrophobicContact CG2-CG2 4.12Å; L333-T356 PolarHBondContact N-O 3.32Å; T356-N381 CarbonylContact C-O 3.31Å; T356-N381 VanDerWaalsContact CA-O 3.27Å; T356-N381 WeakPolarHBondContact CA-O 3.23Å; T356-N381 HydrophobicContact CG2-CB 4.48Å; T356-N381 WeakPolarHBondContact CG2-O 3.3Å; T356-N383 HydrophobicContact CG2-CB 4.34Å
357	L	97.9	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	104.1	176.9	178.3	58.6	0	0	0	109	L333 L343 L354 L359 W372 V373 L380 N381 F382	L333-L357 HydrophobicContact CB-CD1 4.09Å; L333-L357 HydrophobicContact CD2-CD1 3.94Å; L333-L357 HydrophobicContact CG-CD1 4.24Å; L333-L357 WeakPolarHBondContact O-CA 3.32Å; L343-L357 HydrophobicContact CD2-CD1 3.9Å; L343-L357 HydrophobicContact CD2-CD2 4.24Å; L354-L357 HydrophobicContact CD2-CB 4.05Å; L354-L357 HydrophobicContact CD2-CD1 4.34Å; L354-L357 HydrophobicContact CD2-CD2 4.19Å; L354-L357 HydrophobicContact CD2-CG 4.42Å; L357-L359 HydrophobicContact CD1-CD1 4.11Å; L357-L359 HydrophobicContact CD1-CG 3.94Å; L357-L359 HydrophobicContact CD2-CD1 3.6Å; L357-L359 HydrophobicContact CD2-CG 4.3Å; L357-L359 HydrophobicContact CG-CD1 3.73Å; L357-L359 HydrophobicContact CG-CG 3.87Å; L357-W372 HydrophobicContact CD2-CH2 3.91Å; L357-W372 HydrophobicContact CD2-CZ3 4.48Å; L357-V373 HydrophobicContact CD2-CG1 4.11Å; L357-V373 HydrophobicContact CD2-CG2 4.27Å; L357-L380 HydrophobicContact CB-CD1 4.49Å; L357-L380 HydrophobicContact CB-CD2 4.39Å; L357-L380 HydrophobicContact CD2-CD1 4.06Å; L357-N381 PolarHBondContact N-O 3.3Å; L357-F382 WeakPolarHBondContact O-CA 3.18Å; L357-F382 VanDerWaalsContact O-CD1 3.26Å; L357-F382 WeakPolarHBondContact O-CD1 3.19Å
358	A	97.8	Very high	95.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	109.3	176.5	0	0	0	0	0	110.2	L333 N334 V335 S336 Y360 N383	L333-A358 PolarHBondContact O-N 2.85Å; N334-A358 HydrophobicContact CB-CB 4.02Å; N334-A358 VanDerWaalsContact CG-CB 3.48Å; N334-A358 WeakPolarHBondContact OD1-CB 3.4Å; V335-A358 PolarHBondContact N-O 2.96Å; S336-A358 PolarHBondContact N-O 3.34Å; A358-Y360 HydrophobicContact CB-CD1 4.17Å; A358-Y360 HydrophobicContact CB-CE1 3.74Å; A358-N383 HydrophobicContact CB-CB 4.11Å
359	L	97.2	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.			trans	-122.2	0.4	-177.4	-80	171.3	0	0	0	113.6	V335 L340 L343 L357 N362 L364 V373 P387	V335-L359 HydrophobicContact CG2-CD2 3.65Å; L340-L359 HydrophobicContact CD2-CD2 3.87Å; L343-L359 HydrophobicContact CD2-CD1 4.17Å; L343-L359 HydrophobicContact CD2-CD2 4.15Å; L357-L359 HydrophobicContact CD1-CD1 4.11Å; L357-L359 HydrophobicContact CD1-CG 3.94Å; L357-L359 HydrophobicContact CD2-CD1 3.6Å; L357-L359 HydrophobicContact CD2-CG 4.3Å; L357-L359 HydrophobicContact CG-CD1 3.73Å; L357-L359 HydrophobicContact CG-CG 3.87Å; L359-N362 PolarHBondContact O-ND2 3.13Å; L359-L364 HydrophobicContact CB-CD1 4.44Å; L359-V373 HydrophobicContact CD1-CG1 4.27Å; L359-V373 HydrophobicContact CD1-CG2 4.45Å; L359-P387 HydrophobicContact CB-CB 4.26Å; L359-P387 HydrophobicContact CB-CG 4.16Å
360	Y	96.4	Very high	96	Very high	32 Å²	32	30.5 Å²	30.5	13%	0.125	18%	0.179	C	C	.	.			trans	-61.1	162.9	177.8	62.8	-93.2	0	0	0	111.4	S336 G337 A358 N362 N383 Q385	S336-Y360 VanDerWaalsContact CA-O 3.22Å; S336-Y360 WeakPolarHBondContact CA-O 3.21Å; S336-Y360 WeakPolarHBondContact CB-O 3.13Å; S336-Y360 PolarHBondContact OG-OH 2.96Å; G337-Y360 PolarHBondContact N-O 3.35Å; G337-Y360 VanDerWaalsContact N-O 3.16Å; A358-Y360 HydrophobicContact CB-CD1 4.17Å; A358-Y360 HydrophobicContact CB-CE1 3.74Å; Y360-N362 VanDerWaalsContact C-N 3.32Å; Y360-N362 PolarHBondContact O-N 3Å; Y360-N362 PolarHBondContact O-ND2 3.1Å; Y360-N362 VanDerWaalsContact O-ND2 3.11Å; Y360-N383 HydrophobicContact CE1-CB 4.48Å; Y360-Q385 HydrophobicContact CD1-CB 3.55Å; Y360-Q385 HydrophobicContact CD2-CB 4.3Å; Y360-Q385 HydrophobicContact CE1-CB 4.07Å; Y360-Q385 HydrophobicContact CG-CB 3.69Å
361	D	97	Very high	96.3	Very high	112 Å²	112	29.8 Å²	29.8	60%	0.599	17%	0.171	S	C	*	.	S	Bend	trans	53.5	47.1	-175.4	-58.3	-22.4	0	0	0	112.9	G337 N338	G337-D361 CarbonylContact C-O 2.99Å; G337-D361 WeakPolarHBondContact CA-O 3.36Å; G337-D361 PolarHBondContact N-O 3.36Å; N338-D361 PolarHBondContact N-O 3.2Å; N338-D361 VanDerWaalsContact N-O 3.08Å
362	N	98.3	Very high	96.5	Very high	15 Å²	15	30.2 Å²	30.2	8%	0.08	17%	0.172	C	C	.	.	S	Bend	trans	-134.2	144.8	171.2	-79.2	-85	0	0	0	109.8	V335 N338 L340 L359 Y360 L364	V335-N362 PolarHBondContact O-ND2 3.32Å; N338-N362 WeakPolarHBondContact CA-OD1 3.44Å; N338-N362 WeakPolarHBondContact CB-OD1 3.43Å; N338-N362 PolarHBondContact N-OD1 3.46Å; N338-N362 PolarHBondContact O-OD1 2.94Å; L340-N362 HydrophobicContact CB-CB 4.29Å; L340-N362 WeakPolarHBondContact CB-OD1 3.48Å; L340-N362 PolarHBondContact N-OD1 3.39Å; L359-N362 PolarHBondContact O-ND2 3.13Å; Y360-N362 VanDerWaalsContact C-N 3.32Å; Y360-N362 PolarHBondContact O-N 3Å; Y360-N362 PolarHBondContact O-ND2 3.1Å; Y360-N362 VanDerWaalsContact O-ND2 3.11Å; N362-L364 HydrophobicContact CB-CD2 3.91Å; N362-L364 HydrophobicContact CB-CG 4.04Å; N362-L364 PolarHBondContact O-N 2.92Å
363	P	97.7	Very high	96.7	Very high	60 Å²	60	27.8 Å²	27.8	39%	0.39	15%	0.146	S	C	.	.			trans	-77.5	66.2	177.6	33.7	-36.5	0	0	0	111.8	N338 L340 A390	N338-P363 WeakPolarHBondContact O-CD 3.27Å; L340-P363 CarbonylContact O-C 3.32Å; L340-P363 WeakPolarHBondContact O-CD 3.4Å; P363-A390 HydrophobicContact CB-CB 4.03Å
364	L	98.2	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.7	-172.2	-60.6	174.8	0	0	0	112.8	T341 L359 N362 L370 P387 A390 S391	T341-L364 CarbonylContact O-C 3.46Å; T341-L364 WeakPolarHBondContact O-CA 3.48Å; L359-L364 HydrophobicContact CB-CD1 4.44Å; N362-L364 HydrophobicContact CB-CD2 3.91Å; N362-L364 HydrophobicContact CB-CG 4.04Å; N362-L364 PolarHBondContact O-N 2.92Å; L364-L370 HydrophobicContact CB-CD1 3.91Å; L364-L370 HydrophobicContact CD1-CD1 4.46Å; L364-L370 HydrophobicContact CD2-CD1 4.25Å; L364-L370 HydrophobicContact CG-CD1 4.43Å; L364-P387 HydrophobicContact CD1-CB 3.63Å; L364-A390 PolarHBondContact O-N 2.94Å; L364-S391 PolarHBondContact O-N 3.44Å
365	A	97.8	Very high	96.9	Very high	11 Å²	11	32.7 Å²	32.7	9%	0.091	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.2	167.6	0	0	0	0	0	109.7	T341 D367 L370 S391	T341-A365 PolarHBondContact O-N 3.4Å; A365-D367 PolarHBondContact O-N 3.12Å; A365-L370 VanDerWaalsContact O-CD1 3.32Å; A365-L370 WeakPolarHBondContact O-CD1 3.38Å; A365-S391 VanDerWaalsContact CA-OG 3.27Å; A365-S391 WeakPolarHBondContact CA-OG 3.31Å; A365-S391 VanDerWaalsContact CB-OG 3.29Å; A365-S391 WeakPolarHBondContact CB-OG 3.5Å
366	C	97.3	Very high	96.9	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.027	15%	0.151	C	C	.	.			trans	-81.4	57.7	-176.7	-71.2	0	0	0	0	112.7	C389 S391 V395 F412	C366-C389 HydrophobicContact CB-CB 3.8Å; C366-C389 WeakPolarHBondContact CB-SG 3.33Å; C366-C389 WeakPolarHBondContact SG-CA 3.5Å; C366-C389 WeakPolarHBondContact SG-CB 3.44Å; C366-C389 CovalentContact SG-SG 2.02Å; C366-C389 PolarHBondContact SG-SG 2.99Å; C366-S391 PolarHBondContact N-O 3.1Å; C366-V395 HydrophobicContact CB-CG2 4.4Å; C366-F412 HydrophobicContact CB-CD1 4.3Å; C366-F412 HydrophobicContact CB-CE1 3.85Å; C366-F412 HydrophobicContact CB-CZ 4.22Å; C366-F412 WeakPolarHBondContact O-CA 3.44Å; C366-F412 PolarHBondContact O-N 3.27Å
367	D	96.4	Very high	96.7	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.059	15%	0.149	C	C	.	.	S	Bend	trans	-97.6	-169.4	172.9	67	36	0	0	0	111.6	A365 R369 L370 F412 T413	A365-D367 PolarHBondContact O-N 3.12Å; D367-R369 PolarHBondContact O-N 3.23Å; D367-R369 VanDerWaalsContact O-N 3.12Å; D367-R369 WeakPolarHBondContact OD1-CB 3.43Å; D367-R369 WeakPolarHBondContact OD1-CG 3.1Å; D367-R369 PolarHBondContact OD1-N 3.24Å; D367-R369 IonicContact OD1-NE 3.82Å; D367-R369 PolarHBondContact OD1-NE 3.04Å; D367-R369 VanDerWaalsContact OD1-NE 3.1Å; D367-R369 IonicContact OD1-NH2 2.84Å; D367-R369 IonicContact OD2-CZ 3.13Å; D367-R369 VanDerWaalsContact OD2-CZ 3.25Å; D367-R369 IonicContact OD2-NE 3.75Å; D367-R369 PolarHBondContact OD2-NE 3.05Å; D367-R369 IonicContact OD2-NH2 2.75Å; D367-R369 PolarHBondContact OD2-NH2 3.34Å; D367-L370 PolarHBondContact O-N 3.38Å; D367-F412 WeakPolarHBondContact O-CD1 3.47Å; D367-T413 WeakPolarHBondContact CB-O 3.39Å
368	C	96.3	Very high	96.4	Very high	32 Å²	32	40.1 Å²	40.1	22%	0.216	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61.3	-19.8	-177.5	74.1	0	0	0	0	114.8	L370 L371 F412 C414	C368-L370 VanDerWaalsContact C-N 3.3Å; C368-L370 PolarHBondContact O-N 2.74Å; C368-L371 WeakPolarHBondContact O-CB 3.07Å; C368-L371 PolarHBondContact O-N 3.01Å; C368-F412 WeakPolarHBondContact CA-O 3.3Å; C368-F412 WeakPolarHBondContact CB-O 3.29Å; C368-F412 PolarHBondContact N-O 2.96Å; C368-C414 HydrophobicContact CB-CB 3.83Å; C368-C414 WeakPolarHBondContact CB-SG 3.46Å; C368-C414 PolarHBondContact N-SG 3.38Å; C368-C414 WeakPolarHBondContact SG-CB 3.48Å; C368-C414 CovalentContact SG-SG 2.02Å; C368-C414 PolarHBondContact SG-SG 3.12Å
369	R	96.9	Very high	96.1	Very high	47 Å²	47	51 Å²	51	18%	0.177	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68.5	-29.4	179.8	-63.9	175.7	-68.9	172.3	0.4	112.5	T342 D367 W372 A495	T342-R369 VanDerWaalsContact CG2-NH1 3.31Å; T342-R369 WeakPolarHBondContact OG1-CB 3.36Å; D367-R369 PolarHBondContact O-N 3.23Å; D367-R369 VanDerWaalsContact O-N 3.12Å; D367-R369 WeakPolarHBondContact OD1-CB 3.43Å; D367-R369 WeakPolarHBondContact OD1-CG 3.1Å; D367-R369 PolarHBondContact OD1-N 3.24Å; D367-R369 IonicContact OD1-NE 3.82Å; D367-R369 PolarHBondContact OD1-NE 3.04Å; D367-R369 VanDerWaalsContact OD1-NE 3.1Å; D367-R369 IonicContact OD1-NH2 2.84Å; D367-R369 IonicContact OD2-CZ 3.13Å; D367-R369 VanDerWaalsContact OD2-CZ 3.25Å; D367-R369 IonicContact OD2-NE 3.75Å; D367-R369 PolarHBondContact OD2-NE 3.05Å; D367-R369 IonicContact OD2-NH2 2.75Å; D367-R369 PolarHBondContact OD2-NH2 3.34Å; R369-W372 PolarHBondContact O-NE1 2.8Å; R369-A495 HydrophobicContact CG-CB 3.31Å
370	L	97.6	Very high	96	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-93.3	1.6	176.5	-67.8	-179.5	0	0	0	113.4	L343 L364 A365 D367 C368 W372 V373 F374 F400 F412	L343-L370 HydrophobicContact CB-CD2 4.24Å; L364-L370 HydrophobicContact CB-CD1 3.91Å; L364-L370 HydrophobicContact CD1-CD1 4.46Å; L364-L370 HydrophobicContact CD2-CD1 4.25Å; L364-L370 HydrophobicContact CG-CD1 4.43Å; A365-L370 VanDerWaalsContact O-CD1 3.32Å; A365-L370 WeakPolarHBondContact O-CD1 3.38Å; D367-L370 PolarHBondContact O-N 3.38Å; C368-L370 VanDerWaalsContact C-N 3.3Å; C368-L370 PolarHBondContact O-N 2.74Å; L370-W372 PolarHBondContact O-N 2.82Å; L370-V373 HydrophobicContact CD2-CG2 4.15Å; L370-V373 WeakPolarHBondContact O-CB 3.48Å; L370-V373 PolarHBondContact O-N 3.27Å; L370-F374 PolarHBondContact O-N 2.7Å; L370-F400 HydrophobicContact CB-CZ 4.38Å; L370-F400 HydrophobicContact CD1-CZ 4.27Å; L370-F412 HydrophobicContact CB-CD1 4.26Å; L370-F412 HydrophobicContact CB-CE1 4.17Å
371	L	96.3	Very high	95.9	Very high	35 Å²	35	53.9 Å²	53.9	18%	0.183	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-35.4	-178.8	-178.8	58.8	0	0	0	112.5	C368 V373 F374 R375 L407 F412	C368-L371 WeakPolarHBondContact O-CB 3.07Å; C368-L371 PolarHBondContact O-N 3.01Å; L371-V373 VanDerWaalsContact C-N 3.35Å; L371-F374 HydrophobicContact CD1-CD1 4.31Å; L371-F374 PolarHBondContact O-N 3.1Å; L371-R375 HydrophobicContact CD1-CG 4.32Å; L371-R375 HydrophobicContact CG-CG 4.48Å; L371-R375 WeakPolarHBondContact O-CB 3.46Å; L371-R375 VanDerWaalsContact O-CG 3.29Å; L371-R375 WeakPolarHBondContact O-CG 3.42Å; L371-R375 PolarHBondContact O-N 2.8Å; L371-L407 HydrophobicContact CD1-CD1 3.74Å; L371-F412 HydrophobicContact CB-CB 4.26Å; L371-F412 HydrophobicContact CD1-CB 3.91Å; L371-F412 HydrophobicContact CD1-CG 4.49Å
372	W	95.8	Very high	95.7	Very high	18 Å²	18	48.8 Å²	48.8	7%	0.068	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-37.7	177.3	75.6	-92	0	0	0	112	L343 E345 F348 V351 L354 L357 R369 L370 R376 L380	L343-W372 HydrophobicContact CD2-CH2 4.31Å; L343-W372 HydrophobicContact CD2-CZ2 3.91Å; L343-W372 HydrophobicContact CG-CZ2 3.96Å; L343-W372 PolarHBondContact O-NE1 3.39Å; E345-W372 HydrophobicContact CB-CB 4.42Å; E345-W372 HydrophobicContact CB-CD2 4.18Å; E345-W372 HydrophobicContact CB-CG 3.87Å; E345-W372 HydrophobicContact CG-CB 4.38Å; E345-W372 HydrophobicContact CG-CD2 4.15Å; E345-W372 HydrophobicContact CG-CG 4.08Å; F348-W372 HydrophobicContact CD2-CH2 4.34Å; F348-W372 HydrophobicContact CD2-CZ2 4.4Å; F348-W372 AromaticContact CE2-CH2 3.77Å; F348-W372 HydrophobicContact CE2-CH2 3.77Å; F348-W372 AromaticContact CE2-CZ2 3.83Å; F348-W372 HydrophobicContact CE2-CZ2 3.83Å; F348-W372 HydrophobicContact CZ-CH2 4.38Å; V351-W372 HydrophobicContact CG1-CE3 3.72Å; V351-W372 HydrophobicContact CG1-CH2 4.12Å; V351-W372 HydrophobicContact CG1-CZ3 3.29Å; L354-W372 HydrophobicContact CD2-CH2 4.47Å; L357-W372 HydrophobicContact CD2-CH2 3.91Å; L357-W372 HydrophobicContact CD2-CZ3 4.48Å; R369-W372 PolarHBondContact O-NE1 2.8Å; L370-W372 PolarHBondContact O-N 2.82Å; W372-R376 WeakPolarHBondContact O-CG 3.18Å; W372-R376 PolarHBondContact O-N 3.12Å; W372-L380 HydrophobicContact CZ3-CD1 4.34Å
373	V	97	Very high	95.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-48.7	175.1	-177	0	0	0	0	109.3	L357 L359 L370 L371 R375 R376 R377 F382 F400	L357-V373 HydrophobicContact CD2-CG1 4.11Å; L357-V373 HydrophobicContact CD2-CG2 4.27Å; L359-V373 HydrophobicContact CD1-CG1 4.27Å; L359-V373 HydrophobicContact CD1-CG2 4.45Å; L370-V373 HydrophobicContact CD2-CG2 4.15Å; L370-V373 WeakPolarHBondContact O-CB 3.48Å; L370-V373 PolarHBondContact O-N 3.27Å; L371-V373 VanDerWaalsContact C-N 3.35Å; V373-R375 VanDerWaalsContact C-N 3.35Å; V373-R375 PolarHBondContact O-N 3.25Å; V373-R376 CarbonylContact O-C 3.04Å; V373-R376 WeakPolarHBondContact O-CA 3.5Å; V373-R376 PolarHBondContact O-N 3.07Å; V373-R377 PolarHBondContact O-N 3.06Å; V373-R377 VanDerWaalsContact O-N 3.12Å; V373-F382 HydrophobicContact CG1-CE1 3.84Å; V373-F382 HydrophobicContact CG1-CZ 4.06Å; V373-F400 HydrophobicContact CB-CE2 4.07Å; V373-F400 HydrophobicContact CG1-CD2 4.28Å; V373-F400 HydrophobicContact CG1-CE2 3.77Å
374	F	96	Very high	94.6	Very high	5 Å²	5	58.3 Å²	58.3	2%	0.022	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-44.4	179	174.9	-102	0	0	0	112.4	L370 L371 R376 R377 F400 F403 L407 F412	L370-F374 PolarHBondContact O-N 2.7Å; L371-F374 HydrophobicContact CD1-CD1 4.31Å; L371-F374 PolarHBondContact O-N 3.1Å; F374-R376 PolarHBondContact O-N 3.41Å; F374-R377 VanDerWaalsContact CE2-CZ 3.44Å; F374-R377 VanDerWaalsContact O-CB 3.31Å; F374-R377 WeakPolarHBondContact O-CB 3.5Å; F374-R377 VanDerWaalsContact O-CG 3.27Å; F374-R377 WeakPolarHBondContact O-CG 3.19Å; F374-R377 PolarHBondContact O-N 3.41Å; F374-R377 VanDerWaalsContact O-N 3.15Å; F374-R377 PolarHBondContact O-NH1 3.35Å; F374-F400 HydrophobicContact CB-CD2 4.38Å; F374-F400 HydrophobicContact CB-CE2 4.27Å; F374-F400 HydrophobicContact CD2-CD2 4.43Å; F374-F403 HydrophobicContact CD2-CB 4.5Å; F374-F403 HydrophobicContact CE2-CB 3.51Å; F374-F403 HydrophobicContact CE2-CD2 4.5Å; F374-F403 HydrophobicContact CE2-CG 4.19Å; F374-F403 HydrophobicContact CZ-CB 3.89Å; F374-L407 HydrophobicContact CD1-CD1 3.85Å; F374-L407 HydrophobicContact CD1-CD2 4.22Å; F374-L407 HydrophobicContact CD1-CG 4.31Å; F374-L407 HydrophobicContact CE1-CD1 3.61Å; F374-L407 HydrophobicContact CE1-CD2 3.43Å; F374-L407 VanDerWaalsContact CE1-CD2 3.43Å; F374-L407 HydrophobicContact CE1-CG 3.56Å; F374-L407 HydrophobicContact CE2-CD2 4.45Å; F374-L407 HydrophobicContact CZ-CD2 3.55Å; F374-L407 HydrophobicContact CZ-CG 4.15Å; F374-F412 HydrophobicContact CB-CD1 4.4Å; F374-F412 HydrophobicContact CB-CE1 4.06Å; F374-F412 HydrophobicContact CB-CE2 4.18Å; F374-F412 HydrophobicContact CB-CZ 3.95Å; F374-F412 HydrophobicContact CD1-CD2 4.38Å; F374-F412 HydrophobicContact CD1-CE2 4.36Å; F374-F412 AromaticContact CD2-CE2 3.74Å; F374-F412 HydrophobicContact CD2-CE2 3.74Å; F374-F412 AromaticContact CD2-CZ 3.9Å; F374-F412 HydrophobicContact CD2-CZ 3.9Å; F374-F412 HydrophobicContact CE2-CE2 4.24Å; F374-F412 HydrophobicContact CG-CD2 4.19Å; F374-F412 AromaticContact CG-CE2 3.8Å; F374-F412 HydrophobicContact CG-CE2 3.8Å; F374-F412 HydrophobicContact CG-CZ 4Å
375	R	95	Very high	94.4	Very high	186 Å²	186	62.8 Å²	62.8	70%	0.702	27%	0.27	S	S	*	.	H	α-helix	trans	-61.6	-23.9	176.3	-75.5	176.3	-179.4	-179.1	1	113.2	L371 V373	L371-R375 HydrophobicContact CD1-CG 4.32Å; L371-R375 HydrophobicContact CG-CG 4.48Å; L371-R375 WeakPolarHBondContact O-CB 3.46Å; L371-R375 VanDerWaalsContact O-CG 3.29Å; L371-R375 WeakPolarHBondContact O-CG 3.42Å; L371-R375 PolarHBondContact O-N 2.8Å; V373-R375 VanDerWaalsContact C-N 3.35Å; V373-R375 PolarHBondContact O-N 3.25Å
376	R	94.8	Very high	94.2	Very high	80 Å²	80	64.5 Å²	64.5	30%	0.302	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.5	179.2	-66.3	-179.5	179.2	-121.4	4.6	113.6	V351 W372 V373 F374 W378 R379 L380	V351-R376 PolarHBondContact O-NH1 3.29Å; W372-R376 WeakPolarHBondContact O-CG 3.18Å; W372-R376 PolarHBondContact O-N 3.12Å; V373-R376 CarbonylContact O-C 3.04Å; V373-R376 WeakPolarHBondContact O-CA 3.5Å; V373-R376 PolarHBondContact O-N 3.07Å; F374-R376 PolarHBondContact O-N 3.41Å; R376-W378 PolarHBondContact O-N 3.11Å; R376-R379 PolarHBondContact O-N 2.96Å; R376-L380 HydrophobicContact CB-CD1 3.64Å; R376-L380 HydrophobicContact CB-CG 3.94Å; R376-L380 PolarHBondContact O-N 3.48Å
377	R	93.8	Very high	94.2	Very high	19 Å²	19	64.3 Å²	64.3	7%	0.072	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28	-172.5	73	-177.9	171.6	-79.9	4.5	115.9	V373 F374 F382 D405	V373-R377 PolarHBondContact O-N 3.06Å; V373-R377 VanDerWaalsContact O-N 3.12Å; F374-R377 VanDerWaalsContact CE2-CZ 3.44Å; F374-R377 VanDerWaalsContact O-CB 3.31Å; F374-R377 WeakPolarHBondContact O-CB 3.5Å; F374-R377 VanDerWaalsContact O-CG 3.27Å; F374-R377 WeakPolarHBondContact O-CG 3.19Å; F374-R377 PolarHBondContact O-N 3.41Å; F374-R377 VanDerWaalsContact O-N 3.15Å; F374-R377 PolarHBondContact O-NH1 3.35Å; R377-F382 HydrophobicContact CB-CE2 3.8Å; R377-F382 HydrophobicContact CB-CZ 4.05Å; R377-F382 WeakPolarHBondContact O-CE2 3.26Å; R377-D405 IonicContact CZ-OD1 2.99Å; R377-D405 IonicContact NH2-OD1 3.53Å; R377-D405 PolarHBondContact NH2-OD1 3.04Å
378	W	90.5	Very high	94.2	Very high	174 Å²	174	66 Å²	66	66%	0.659	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.8	179.2	-58.3	125.5	0	0	0	113.5	R376 D405	R376-W378 PolarHBondContact O-N 3.11Å; W378-D405 PolarHBondContact NE1-OD1 3.43Å
379	R	92.8	Very high	94.3	Very high	229 Å²	229	64.6 Å²	64.6	86%	0.864	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-32.4	179.6	-65.1	-174.7	-179.9	176.1	0.3	112.5	R376	R376-R379 PolarHBondContact O-N 2.96Å
380	L	93.6	Very high	94.4	Very high	11 Å²	11	64.1 Å²	64.1	6%	0.058	28%	0.282	C	S	.	.	S	Bend	trans	-80.3	128.4	175.8	-72.7	170.6	0	0	0	109.9	L354 L357 W372 R376 F382	L354-L380 HydrophobicContact CB-CD2 4.23Å; L354-L380 HydrophobicContact CD2-CD2 4Å; L354-L380 HydrophobicContact CG-CD2 4.01Å; L354-L380 WeakPolarHBondContact O-CD2 3.37Å; L357-L380 HydrophobicContact CB-CD1 4.49Å; L357-L380 HydrophobicContact CB-CD2 4.39Å; L357-L380 HydrophobicContact CD2-CD1 4.06Å; W372-L380 HydrophobicContact CZ3-CD1 4.34Å; R376-L380 HydrophobicContact CB-CD1 3.64Å; R376-L380 HydrophobicContact CB-CG 3.94Å; R376-L380 PolarHBondContact O-N 3.48Å; L380-F382 HydrophobicContact CB-CE1 4.26Å; L380-F382 HydrophobicContact CB-CZ 4.28Å; L380-F382 PolarHBondContact O-N 3.06Å
381	N	94.9	Very high	94.3	Very high	82 Å²	82	66.4 Å²	66.4	44%	0.439	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-77.2	113.2	168	-177.5	0.6	0	0	0	109	E355 T356 L357 N383	E355-N381 PolarHBondContact O-N 2.69Å; T356-N381 CarbonylContact C-O 3.31Å; T356-N381 VanDerWaalsContact CA-O 3.27Å; T356-N381 WeakPolarHBondContact CA-O 3.23Å; T356-N381 HydrophobicContact CG2-CB 4.48Å; T356-N381 WeakPolarHBondContact CG2-O 3.3Å; L357-N381 PolarHBondContact N-O 3.3Å; N381-N383 PolarHBondContact O-N 2.6Å; N381-N383 VanDerWaalsContact O-N 3.16Å; N381-N383 WeakPolarHBondContact OD1-CA 3.35Å; N381-N383 PolarHBondContact OD1-N 2.96Å
382	F	93.4	Very high	94.3	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.026	30%	0.303	C	S	.	.			trans	-82.3	26.6	174.9	-60.2	-66.6	0	0	0	113.2	L357 V373 R377 L380 K384 Q385 P387	L357-F382 WeakPolarHBondContact O-CA 3.18Å; L357-F382 VanDerWaalsContact O-CD1 3.26Å; L357-F382 WeakPolarHBondContact O-CD1 3.19Å; V373-F382 HydrophobicContact CG1-CE1 3.84Å; V373-F382 HydrophobicContact CG1-CZ 4.06Å; R377-F382 HydrophobicContact CB-CE2 3.8Å; R377-F382 HydrophobicContact CB-CZ 4.05Å; R377-F382 WeakPolarHBondContact O-CE2 3.26Å; L380-F382 HydrophobicContact CB-CE1 4.26Å; L380-F382 HydrophobicContact CB-CZ 4.28Å; L380-F382 PolarHBondContact O-N 3.06Å; F382-K384 PolarHBondContact O-N 2.97Å; F382-Q385 VanDerWaalsContact CB-O 3.27Å; F382-Q385 WeakPolarHBondContact CB-O 3.39Å; F382-Q385 CarbonylContact O-C 3.27Å; F382-Q385 PolarHBondContact O-N 3Å; F382-P387 HydrophobicContact CD1-CG 3.62Å; F382-P387 HydrophobicContact CE1-CG 3.67Å; F382-P387 HydrophobicContact CG-CG 4.17Å; F382-P387 HydrophobicContact CZ-CG 4.21Å
383	N	85.1	Confident	94.3	Very high	70 Å²	70	74.1 Å²	74.1	37%	0.374	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.2	-176.9	-165.9	34.6	0	0	0	113.2	T356 A358 Y360 N381 Q385	T356-N383 HydrophobicContact CG2-CB 4.34Å; A358-N383 HydrophobicContact CB-CB 4.11Å; Y360-N383 HydrophobicContact CE1-CB 4.48Å; N381-N383 PolarHBondContact O-N 2.6Å; N381-N383 VanDerWaalsContact O-N 3.16Å; N381-N383 WeakPolarHBondContact OD1-CA 3.35Å; N381-N383 PolarHBondContact OD1-N 2.96Å; N383-Q385 PolarHBondContact O-N 2.91Å; N383-Q385 VanDerWaalsContact O-N 3.13Å
384	K	88.4	Confident	94.2	Very high	204 Å²	204	80 Å²	80	89%	0.887	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	1	-176.2	-48.9	175.7	-178.8	176.7	0	116	F382	F382-K384 PolarHBondContact O-N 2.97Å
385	Q	93.1	Very high	94.2	Very high	95 Å²	95	80 Å²	80	44%	0.444	36%	0.364	S	S	.	.	S	Bend	trans	-126.2	120.5	178.8	-82.2	176	-44.1	0	0	111.5	Y360 F382 N383	Y360-Q385 HydrophobicContact CD1-CB 3.55Å; Y360-Q385 HydrophobicContact CD2-CB 4.3Å; Y360-Q385 HydrophobicContact CE1-CB 4.07Å; Y360-Q385 HydrophobicContact CG-CB 3.69Å; F382-Q385 VanDerWaalsContact CB-O 3.27Å; F382-Q385 WeakPolarHBondContact CB-O 3.39Å; F382-Q385 CarbonylContact O-C 3.27Å; F382-Q385 PolarHBondContact O-N 3Å; N383-Q385 PolarHBondContact O-N 2.91Å; N383-Q385 VanDerWaalsContact O-N 3.13Å
386	Q	94.4	Very high	94.3	Very high	46 Å²	46	77.6 Å²	77.6	22%	0.215	36%	0.361	C	S	.	.			trans	-73.9	146.5	-174.9	-66.9	-69.5	-34.6	0	0	112.5	E399 K401	Q386-E399 HydrophobicContact CB-CB 3.86Å; Q386-E399 HydrophobicContact CB-CG 4.05Å; Q386-E399 VanDerWaalsContact CB-OE2 3.25Å; Q386-E399 WeakPolarHBondContact CB-OE2 3.34Å; Q386-E399 HydrophobicContact CG-CB 4.43Å; Q386-E399 VanDerWaalsContact CG-OE2 3.27Å; Q386-E399 WeakPolarHBondContact CG-OE2 3.24Å; Q386-K401 HydrophobicContact CG-CB 4.21Å; Q386-K401 HydrophobicContact CG-CD 3.93Å; Q386-K401 HydrophobicContact CG-CG 4.08Å
387	P	96.6	Very high	94.3	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	37%	0.373	C	S	.	.			trans	-62.2	139.9	164.4	-14.1	27.9	0	0	0	110.2	L359 L364 F382 E399 F400	L359-P387 HydrophobicContact CB-CB 4.26Å; L359-P387 HydrophobicContact CB-CG 4.16Å; L364-P387 HydrophobicContact CD1-CB 3.63Å; F382-P387 HydrophobicContact CD1-CG 3.62Å; F382-P387 HydrophobicContact CE1-CG 3.67Å; F382-P387 HydrophobicContact CG-CG 4.17Å; F382-P387 HydrophobicContact CZ-CG 4.21Å; P387-E399 WeakPolarHBondContact O-CA 3.16Å; P387-F400 HydrophobicContact CB-CD1 3.82Å; P387-F400 HydrophobicContact CB-CD2 4.35Å; P387-F400 HydrophobicContact CB-CE1 3.84Å; P387-F400 HydrophobicContact CB-CE2 4.39Å; P387-F400 HydrophobicContact CB-CG 4.08Å; P387-F400 HydrophobicContact CB-CZ 4.14Å; P387-F400 HydrophobicContact CG-CD1 4.46Å; P387-F400 HydrophobicContact CG-CD2 4.23Å; P387-F400 HydrophobicContact CG-CE2 4.5Å; P387-F400 HydrophobicContact CG-CG 4.22Å; P387-F400 VanDerWaalsContact O-CD1 3.22Å; P387-F400 WeakPolarHBondContact O-CD1 3.39Å; P387-F400 PolarHBondContact O-N 3.41Å
388	T	97.2	Very high	94.5	Very high	48 Å²	48	77.8 Å²	77.8	29%	0.294	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-119.5	137.5	-178.3	-57.2	0	0	0	0	109.8	G397	T388-G397 VanDerWaalsContact CG2-C 3.42Å; T388-G397 WeakPolarHBondContact CG2-O 3.48Å
389	C	98.1	Very high	94.8	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.014	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.7	177.7	-60.5	0	0	0	0	111	C366 V395 Q396 G397 K398	C366-C389 HydrophobicContact CB-CB 3.8Å; C366-C389 WeakPolarHBondContact CB-SG 3.33Å; C366-C389 WeakPolarHBondContact SG-CA 3.5Å; C366-C389 WeakPolarHBondContact SG-CB 3.44Å; C366-C389 CovalentContact SG-SG 2.02Å; C366-C389 PolarHBondContact SG-SG 2.99Å; C389-V395 HydrophobicContact CB-CB 4.31Å; C389-V395 HydrophobicContact CB-CG2 3.98Å; C389-V395 WeakPolarHBondContact CB-O 3.48Å; C389-Q396 CarbonylContact O-C 3.48Å; C389-Q396 WeakPolarHBondContact O-CA 3.35Å; C389-G397 PolarHBondContact O-N 3.2Å; C389-K398 PolarHBondContact N-O 2.86Å
390	A	98.1	Very high	94.9	Very high	36 Å²	36	61.3 Å²	61.3	30%	0.298	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-32.3	169.4	0	0	0	0	0	111.9	P363 L364 Q396	P363-A390 HydrophobicContact CB-CB 4.03Å; L364-A390 PolarHBondContact O-N 2.94Å; A390-Q396 WeakPolarHBondContact O-CG 3.04Å
391	S	96.4	Very high	94.9	Very high	49 Å²	49	65.5 Å²	65.5	34%	0.343	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.3	173.4	67.8	0	0	0	0	110.6	L364 A365 C366	L364-S391 PolarHBondContact O-N 3.44Å; A365-S391 VanDerWaalsContact CA-OG 3.27Å; A365-S391 WeakPolarHBondContact CA-OG 3.31Å; A365-S391 VanDerWaalsContact CB-OG 3.29Å; A365-S391 WeakPolarHBondContact CB-OG 3.5Å; C366-S391 PolarHBondContact N-O 3.1Å
392	P	95.7	Very high	94.9	Very high	45 Å²	45	65.4 Å²	65.4	29%	0.292	34%	0.337	S	S	.	.	S	Bend	cis	-68.6	164.5	-7.5	29.2	-35.8	0	0	0	113.5	F394 V395 Q396	P392-F394 HydrophobicContact CB-CD1 3.86Å; P392-F394 HydrophobicContact CB-CE1 3.49Å; P392-F394 VanDerWaalsContact CB-CE1 3.49Å; P392-F394 HydrophobicContact CB-CZ 4.14Å; P392-F394 HydrophobicContact CG-CD1 3.83Å; P392-F394 HydrophobicContact CG-CE1 3.13Å; P392-F394 HydrophobicContact CG-CE2 4.04Å; P392-F394 HydrophobicContact CG-CZ 3.24Å; P392-F394 PolarHBondContact O-N 3.47Å; P392-F394 VanDerWaalsContact O-N 3.08Å; P392-V395 HydrophobicContact CG-CG2 3.91Å; P392-V395 VanDerWaalsContact O-CG2 3.26Å; P392-V395 WeakPolarHBondContact O-CG2 3.29Å; P392-V395 PolarHBondContact O-N 3.06Å; P392-Q396 PolarHBondContact O-N 3.44Å
393	E	95	Very high	95	Very high	170 Å²	170	65.6 Å²	65.6	79%	0.794	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-52.1	-36.8	-171.5	-67	-179.5	174.2	0	0	113.9	V395 Q396	E393-V395 PolarHBondContact O-N 3.17Å; E393-Q396 WeakPolarHBondContact O-CB 3.17Å; E393-Q396 PolarHBondContact O-N 2.93Å
394	F	95.2	Very high	95.5	Very high	124 Å²	124	64.9 Å²	64.9	54%	0.544	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-70.9	-10	-177.9	66.5	-97.5	0	0	0	114.8	P392 N410 Y411	P392-F394 HydrophobicContact CB-CD1 3.86Å; P392-F394 HydrophobicContact CB-CE1 3.49Å; P392-F394 VanDerWaalsContact CB-CE1 3.49Å; P392-F394 HydrophobicContact CB-CZ 4.14Å; P392-F394 HydrophobicContact CG-CD1 3.83Å; P392-F394 HydrophobicContact CG-CE1 3.13Å; P392-F394 HydrophobicContact CG-CE2 4.04Å; P392-F394 HydrophobicContact CG-CZ 3.24Å; P392-F394 PolarHBondContact O-N 3.47Å; P392-F394 VanDerWaalsContact O-N 3.08Å; F394-N410 HydrophobicContact CZ-CB 4.32Å; F394-N410 WeakPolarHBondContact CZ-O 3.41Å; F394-Y411 HydrophobicContact CD2-CE1 4.19Å; F394-Y411 AromaticContact CE2-CD1 3.84Å; F394-Y411 HydrophobicContact CE2-CD1 3.84Å; F394-Y411 AromaticContact CE2-CE1 3.8Å; F394-Y411 HydrophobicContact CE2-CE1 3.8Å
395	V	95.9	Very high	95.6	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.03	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-119.6	10.7	172.3	-70.5	0	0	0	0	112.4	C366 C389 P392 E393 G397 K398 F403 Y411	C366-V395 HydrophobicContact CB-CG2 4.4Å; C389-V395 HydrophobicContact CB-CB 4.31Å; C389-V395 HydrophobicContact CB-CG2 3.98Å; C389-V395 WeakPolarHBondContact CB-O 3.48Å; P392-V395 HydrophobicContact CG-CG2 3.91Å; P392-V395 VanDerWaalsContact O-CG2 3.26Å; P392-V395 WeakPolarHBondContact O-CG2 3.29Å; P392-V395 PolarHBondContact O-N 3.06Å; E393-V395 PolarHBondContact O-N 3.17Å; V395-G397 PolarHBondContact O-N 3.17Å; V395-K398 HydrophobicContact CB-CB 4.42Å; V395-K398 WeakPolarHBondContact O-CB 3.45Å; V395-K398 PolarHBondContact O-N 3.16Å; V395-F403 HydrophobicContact CB-CE1 4.41Å; V395-F403 HydrophobicContact CB-CZ 4.09Å; V395-F403 HydrophobicContact CG1-CE1 3.75Å; V395-F403 HydrophobicContact CG1-CZ 3.95Å; V395-Y411 HydrophobicContact CG1-CD1 4.08Å; V395-Y411 HydrophobicContact CG1-CE1 3.68Å
396	Q	96.7	Very high	95.5	Very high	134 Å²	134	62.3 Å²	62.3	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	131.4	-178.7	-173.7	176.2	3.6	0	0	111.1	C389 A390 P392 E393 K398	C389-Q396 CarbonylContact O-C 3.48Å; C389-Q396 WeakPolarHBondContact O-CA 3.35Å; A390-Q396 WeakPolarHBondContact O-CG 3.04Å; P392-Q396 PolarHBondContact O-N 3.44Å; E393-Q396 WeakPolarHBondContact O-CB 3.17Å; E393-Q396 PolarHBondContact O-N 2.93Å; Q396-K398 VanDerWaalsContact C-N 3.25Å; Q396-K398 PolarHBondContact O-N 3.48Å
397	G	96	Very high	95.5	Very high	54 Å²	54	62.6 Å²	62.6	56%	0.557	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-3.4	-177.4	0	0	0	0	0	114.9	T388 C389 V395	T388-G397 VanDerWaalsContact CG2-C 3.42Å; T388-G397 WeakPolarHBondContact CG2-O 3.48Å; C389-G397 PolarHBondContact O-N 3.2Å; V395-G397 PolarHBondContact O-N 3.17Å
398	K	96.6	Very high	95.2	Very high	50 Å²	50	68.1 Å²	68.1	22%	0.217	37%	0.369	C	S	.	.			trans	-79.2	130.7	179.9	-167.6	168.6	178.6	170.8	0	111.3	C389 V395 Q396 D402 F403	C389-K398 PolarHBondContact N-O 2.86Å; V395-K398 HydrophobicContact CB-CB 4.42Å; V395-K398 WeakPolarHBondContact O-CB 3.45Å; V395-K398 PolarHBondContact O-N 3.16Å; Q396-K398 VanDerWaalsContact C-N 3.25Å; Q396-K398 PolarHBondContact O-N 3.48Å; K398-D402 HydrophobicContact CD-CB 4.45Å; K398-D402 WeakPolarHBondContact CE-O 3.25Å; K398-D402 HydrophobicContact CG-CB 3.85Å; K398-D402 PolarHBondContact NZ-O 2.89Å; K398-F403 HydrophobicContact CB-CE2 4.25Å; K398-F403 HydrophobicContact CB-CZ 4.24Å; K398-F403 HydrophobicContact CD-CD1 4.25Å; K398-F403 HydrophobicContact CD-CD2 4.33Å; K398-F403 HydrophobicContact CD-CE1 3.9Å; K398-F403 HydrophobicContact CD-CE2 4Å; K398-F403 HydrophobicContact CD-CG 4.46Å; K398-F403 HydrophobicContact CD-CZ 3.77Å; K398-F403 HydrophobicContact CG-CD2 4.28Å; K398-F403 HydrophobicContact CG-CE2 3.82Å; K398-F403 HydrophobicContact CG-CZ 4.01Å
399	E	96.7	Very high	94.9	Very high	56 Å²	56	71.3 Å²	71.3	26%	0.262	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-82.4	155.6	175.6	-65.2	-177.6	-161.1	0	0	111.5	Q386 P387 K401 D402 F403	Q386-E399 HydrophobicContact CB-CB 3.86Å; Q386-E399 HydrophobicContact CB-CG 4.05Å; Q386-E399 VanDerWaalsContact CB-OE2 3.25Å; Q386-E399 WeakPolarHBondContact CB-OE2 3.34Å; Q386-E399 HydrophobicContact CG-CB 4.43Å; Q386-E399 VanDerWaalsContact CG-OE2 3.27Å; Q386-E399 WeakPolarHBondContact CG-OE2 3.24Å; P387-E399 WeakPolarHBondContact O-CA 3.16Å; E399-K401 HydrophobicContact CB-CG 4.14Å; E399-K401 PolarHBondContact O-N 3.38Å; E399-K401 VanDerWaalsContact O-N 3.17Å; E399-K401 IonicContact OE1-NZ 3.75Å; E399-K401 WeakPolarHBondContact OE2-CD 3.21Å; E399-K401 WeakPolarHBondContact OE2-CE 3.22Å; E399-K401 IonicContact OE2-NZ 2.72Å; E399-K401 PolarHBondContact OE2-NZ 2.84Å; E399-D402 WeakPolarHBondContact CB-OD2 3.3Å; E399-D402 PolarHBondContact N-OD2 3.13Å; E399-D402 VanDerWaalsContact N-OD2 3.15Å; E399-D402 WeakPolarHBondContact O-CB 3.23Å; E399-D402 PolarHBondContact O-N 3.45Å; E399-F403 VanDerWaalsContact O-CD2 3.24Å; E399-F403 WeakPolarHBondContact O-CD2 3.44Å; E399-F403 WeakPolarHBondContact O-CE2 3.29Å
400	F	95.8	Very high	94.5	Very high	1 Å²	1	76.5 Å²	76.5	0%	0.004	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-59.8	-29.7	-179.8	-85.2	37.7	0	0	0	113.5	L370 V373 F374 P387 D402 F412	L370-F400 HydrophobicContact CB-CZ 4.38Å; L370-F400 HydrophobicContact CD1-CZ 4.27Å; V373-F400 HydrophobicContact CB-CE2 4.07Å; V373-F400 HydrophobicContact CG1-CD2 4.28Å; V373-F400 HydrophobicContact CG1-CE2 3.77Å; F374-F400 HydrophobicContact CB-CD2 4.38Å; F374-F400 HydrophobicContact CB-CE2 4.27Å; F374-F400 HydrophobicContact CD2-CD2 4.43Å; P387-F400 HydrophobicContact CB-CD1 3.82Å; P387-F400 HydrophobicContact CB-CD2 4.35Å; P387-F400 HydrophobicContact CB-CE1 3.84Å; P387-F400 HydrophobicContact CB-CE2 4.39Å; P387-F400 HydrophobicContact CB-CG 4.08Å; P387-F400 HydrophobicContact CB-CZ 4.14Å; P387-F400 HydrophobicContact CG-CD1 4.46Å; P387-F400 HydrophobicContact CG-CD2 4.23Å; P387-F400 HydrophobicContact CG-CE2 4.5Å; P387-F400 HydrophobicContact CG-CG 4.22Å; P387-F400 VanDerWaalsContact O-CD1 3.22Å; P387-F400 WeakPolarHBondContact O-CD1 3.39Å; P387-F400 PolarHBondContact O-N 3.41Å; F400-D402 VanDerWaalsContact C-N 3.28Å; F400-D402 PolarHBondContact O-N 3.45Å; F400-F412 HydrophobicContact CE1-CE1 4.3Å; F400-F412 HydrophobicContact CE1-CZ 4.19Å; F400-F412 HydrophobicContact CE2-CE1 4.29Å; F400-F412 HydrophobicContact CE2-CZ 4.39Å; F400-F412 AromaticContact CZ-CE1 3.89Å; F400-F412 HydrophobicContact CZ-CE1 3.89Å; F400-F412 HydrophobicContact CZ-CZ 4.11Å
401	K	94.1	Very high	94.3	Very high	98 Å²	98	76.6 Å²	76.6	43%	0.426	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-69.9	-22.1	176.4	73.7	179.4	-172.7	-139.5	0	113.4	Q386 E399 F403	Q386-K401 HydrophobicContact CG-CB 4.21Å; Q386-K401 HydrophobicContact CG-CD 3.93Å; Q386-K401 HydrophobicContact CG-CG 4.08Å; E399-K401 HydrophobicContact CB-CG 4.14Å; E399-K401 PolarHBondContact O-N 3.38Å; E399-K401 VanDerWaalsContact O-N 3.17Å; E399-K401 IonicContact OE1-NZ 3.75Å; E399-K401 WeakPolarHBondContact OE2-CD 3.21Å; E399-K401 WeakPolarHBondContact OE2-CE 3.22Å; E399-K401 IonicContact OE2-NZ 2.72Å; E399-K401 PolarHBondContact OE2-NZ 2.84Å; K401-F403 VanDerWaalsContact C-N 3.33Å
402	D	95	Very high	94.3	Very high	81 Å²	81	74.6 Å²	74.6	43%	0.433	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-87.2	-6	-174.1	-55.8	-32.4	0	0	0	112.6	K398 E399 F400	K398-D402 HydrophobicContact CD-CB 4.45Å; K398-D402 WeakPolarHBondContact CE-O 3.25Å; K398-D402 HydrophobicContact CG-CB 3.85Å; K398-D402 PolarHBondContact NZ-O 2.89Å; E399-D402 WeakPolarHBondContact CB-OD2 3.3Å; E399-D402 PolarHBondContact N-OD2 3.13Å; E399-D402 VanDerWaalsContact N-OD2 3.15Å; E399-D402 WeakPolarHBondContact O-CB 3.23Å; E399-D402 PolarHBondContact O-N 3.45Å; F400-D402 VanDerWaalsContact C-N 3.28Å; F400-D402 PolarHBondContact O-N 3.45Å
403	F	95.6	Very high	94.3	Very high	9 Å²	9	75.7 Å²	75.7	4%	0.039	40%	0.402	C	S	.	.	S	Bend	trans	-81.1	140.7	175	-71.3	-89.2	0	0	0	110.8	F374 V395 K398 E399 K401 Y411 F412	F374-F403 HydrophobicContact CD2-CB 4.5Å; F374-F403 HydrophobicContact CE2-CB 3.51Å; F374-F403 HydrophobicContact CE2-CD2 4.5Å; F374-F403 HydrophobicContact CE2-CG 4.19Å; F374-F403 HydrophobicContact CZ-CB 3.89Å; V395-F403 HydrophobicContact CB-CE1 4.41Å; V395-F403 HydrophobicContact CB-CZ 4.09Å; V395-F403 HydrophobicContact CG1-CE1 3.75Å; V395-F403 HydrophobicContact CG1-CZ 3.95Å; K398-F403 HydrophobicContact CB-CE2 4.25Å; K398-F403 HydrophobicContact CB-CZ 4.24Å; K398-F403 HydrophobicContact CD-CD1 4.25Å; K398-F403 HydrophobicContact CD-CD2 4.33Å; K398-F403 HydrophobicContact CD-CE1 3.9Å; K398-F403 HydrophobicContact CD-CE2 4Å; K398-F403 HydrophobicContact CD-CG 4.46Å; K398-F403 HydrophobicContact CD-CZ 3.77Å; K398-F403 HydrophobicContact CG-CD2 4.28Å; K398-F403 HydrophobicContact CG-CE2 3.82Å; K398-F403 HydrophobicContact CG-CZ 4.01Å; E399-F403 VanDerWaalsContact O-CD2 3.24Å; E399-F403 WeakPolarHBondContact O-CD2 3.44Å; E399-F403 WeakPolarHBondContact O-CE2 3.29Å; K401-F403 VanDerWaalsContact C-N 3.33Å; F403-Y411 AromaticContact CD1-CD2 3.62Å; F403-Y411 HydrophobicContact CD1-CD2 3.62Å; F403-Y411 AromaticContact CD1-CE2 3.76Å; F403-Y411 HydrophobicContact CD1-CE2 3.76Å; F403-Y411 HydrophobicContact CD1-CG 4.11Å; F403-Y411 HydrophobicContact CE1-CD1 4.3Å; F403-Y411 HydrophobicContact CE1-CD2 4.03Å; F403-Y411 HydrophobicContact CE1-CE1 4.41Å; F403-Y411 HydrophobicContact CE1-CE2 4.14Å; F403-Y411 HydrophobicContact CE1-CG 4.09Å; F403-F412 HydrophobicContact CD1-CE2 4.01Å; F403-F412 HydrophobicContact CD2-CE2 4.27Å; F403-F412 HydrophobicContact CD2-CZ 4.47Å; F403-F412 AromaticContact CE1-CE2 3.99Å; F403-F412 HydrophobicContact CE1-CE2 3.99Å; F403-F412 HydrophobicContact CE2-CE2 4.25Å; F403-F412 HydrophobicContact CE2-CZ 4.21Å; F403-F412 HydrophobicContact CG-CE2 4.14Å; F403-F412 HydrophobicContact CZ-CE2 4.11Å; F403-F412 HydrophobicContact CZ-CZ 4.28Å
404	P	94.4	Very high	94.3	Very high	55 Å²	55	69 Å²	69	36%	0.357	37%	0.374	S	S	.	.			trans	-65.1	153.1	176.1	29.1	-35.2	0	0	0	111.2	V406 Y411	P404-V406 WeakPolarHBondContact CG-O 3.05Å; P404-V406 PolarHBondContact O-N 3.34Å; P404-Y411 HydrophobicContact CG-CE2 4.4Å
405	D	90.5	Very high	94.4	Very high	119 Å²	119	70.3 Å²	70.3	64%	0.636	38%	0.375	S	S	*	.	S	Bend	trans	-61.9	-34.8	176.5	-67.4	-38	0	0	0	112.6	R377 W378	R377-D405 IonicContact CZ-OD1 2.99Å; R377-D405 IonicContact NH2-OD1 3.53Å; R377-D405 PolarHBondContact NH2-OD1 3.04Å; W378-D405 PolarHBondContact NE1-OD1 3.43Å
406	V	92.4	Very high	94.3	Very high	126 Å²	126	75.8 Å²	75.8	76%	0.764	40%	0.399	S	S	*	.	S	Bend	trans	-94.5	108.6	171.5	-176.5	0	0	0	0	108.8	P404	P404-V406 WeakPolarHBondContact CG-O 3.05Å; P404-V406 PolarHBondContact O-N 3.34Å
407	L	92.6	Very high	94.3	Very high	53 Å²	53	69.6 Å²	69.6	28%	0.277	37%	0.37	S	S	.	.			trans	-70.2	135.4	-178.6	-71.2	177.5	0	0	0	111.9	L371 F374 Y411 F412	L371-L407 HydrophobicContact CD1-CD1 3.74Å; F374-L407 HydrophobicContact CD1-CD1 3.85Å; F374-L407 HydrophobicContact CD1-CD2 4.22Å; F374-L407 HydrophobicContact CD1-CG 4.31Å; F374-L407 HydrophobicContact CE1-CD1 3.61Å; F374-L407 HydrophobicContact CE1-CD2 3.43Å; F374-L407 VanDerWaalsContact CE1-CD2 3.43Å; F374-L407 HydrophobicContact CE1-CG 3.56Å; F374-L407 HydrophobicContact CE2-CD2 4.45Å; F374-L407 HydrophobicContact CZ-CD2 3.55Å; F374-L407 HydrophobicContact CZ-CG 4.15Å; L407-Y411 HydrophobicContact CD2-CD2 4.08Å; L407-Y411 HydrophobicContact CD2-CG 4.49Å; L407-F412 HydrophobicContact CD1-CD2 4.2Å; L407-F412 HydrophobicContact CD2-CD2 4.03Å; L407-F412 HydrophobicContact CD2-CE2 4.41Å
408	Q	91.5	Very high	94.3	Very high	116 Å²	116	75 Å²	75	54%	0.542	37%	0.374	S	S	.	.			trans	-70.4	158.1	167.1	-67.7	-175.8	-4.3	0	0	110.8	N410 Y411	Q408-N410 PolarHBondContact O-N 3.41Å; Q408-Y411 HydrophobicContact CB-CD2 4.24Å; Q408-Y411 HydrophobicContact CB-CE2 4.45Å; Q408-Y411 PolarHBondContact O-N 2.71Å; Q408-Y411 VanDerWaalsContact O-N 3.1Å
409	P	89.6	Confident	94.2	Very high	114 Å²	114	72.8 Å²	72.8	74%	0.74	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.3	-173.8	-26.8	35.1	0	0	0	116.4	T413	P409-T413 WeakPolarHBondContact O-CG2 2.96Å
410	N	90	Very high	93.9	Very high	112 Å²	112	77.6 Å²	77.6	60%	0.599	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-1.8	-176.5	-61.4	-16.6	0	0	0	113.2	F394 Q408 T413	F394-N410 HydrophobicContact CZ-CB 4.32Å; F394-N410 WeakPolarHBondContact CZ-O 3.41Å; Q408-N410 PolarHBondContact O-N 3.41Å; N410-T413 PolarHBondContact O-OG1 3.43Å
411	Y	95.3	Very high	93.5	Very high	38 Å²	38	82 Å²	82	15%	0.149	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	129.3	-178.9	-69.7	-10.3	0	0	0	110.9	F394 V395 F403 P404 L407 Q408 T413	F394-Y411 HydrophobicContact CD2-CE1 4.19Å; F394-Y411 AromaticContact CE2-CD1 3.84Å; F394-Y411 HydrophobicContact CE2-CD1 3.84Å; F394-Y411 AromaticContact CE2-CE1 3.8Å; F394-Y411 HydrophobicContact CE2-CE1 3.8Å; V395-Y411 HydrophobicContact CG1-CD1 4.08Å; V395-Y411 HydrophobicContact CG1-CE1 3.68Å; F403-Y411 AromaticContact CD1-CD2 3.62Å; F403-Y411 HydrophobicContact CD1-CD2 3.62Å; F403-Y411 AromaticContact CD1-CE2 3.76Å; F403-Y411 HydrophobicContact CD1-CE2 3.76Å; F403-Y411 HydrophobicContact CD1-CG 4.11Å; F403-Y411 HydrophobicContact CE1-CD1 4.3Å; F403-Y411 HydrophobicContact CE1-CD2 4.03Å; F403-Y411 HydrophobicContact CE1-CE1 4.41Å; F403-Y411 HydrophobicContact CE1-CE2 4.14Å; F403-Y411 HydrophobicContact CE1-CG 4.09Å; P404-Y411 HydrophobicContact CG-CE2 4.4Å; L407-Y411 HydrophobicContact CD2-CD2 4.08Å; L407-Y411 HydrophobicContact CD2-CG 4.49Å; Q408-Y411 HydrophobicContact CB-CD2 4.24Å; Q408-Y411 HydrophobicContact CB-CE2 4.45Å; Q408-Y411 PolarHBondContact O-N 2.71Å; Q408-Y411 VanDerWaalsContact O-N 3.1Å; Y411-T413 VanDerWaalsContact C-N 3.28Å; Y411-T413 PolarHBondContact O-N 2.79Å
412	F	95.9	Very high	92.9	Very high	6 Å²	6	84.9 Å²	84.9	3%	0.026	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	43.9	180	-60.2	-86.6	0	0	0	112.9	C366 D367 C368 L370 L371 F374 F400 F403 L407	C366-F412 HydrophobicContact CB-CD1 4.3Å; C366-F412 HydrophobicContact CB-CE1 3.85Å; C366-F412 HydrophobicContact CB-CZ 4.22Å; C366-F412 WeakPolarHBondContact O-CA 3.44Å; C366-F412 PolarHBondContact O-N 3.27Å; D367-F412 WeakPolarHBondContact O-CD1 3.47Å; C368-F412 WeakPolarHBondContact CA-O 3.3Å; C368-F412 WeakPolarHBondContact CB-O 3.29Å; C368-F412 PolarHBondContact N-O 2.96Å; L370-F412 HydrophobicContact CB-CD1 4.26Å; L370-F412 HydrophobicContact CB-CE1 4.17Å; L371-F412 HydrophobicContact CB-CB 4.26Å; L371-F412 HydrophobicContact CD1-CB 3.91Å; L371-F412 HydrophobicContact CD1-CG 4.49Å; F374-F412 HydrophobicContact CB-CD1 4.4Å; F374-F412 HydrophobicContact CB-CE1 4.06Å; F374-F412 HydrophobicContact CB-CE2 4.18Å; F374-F412 HydrophobicContact CB-CZ 3.95Å; F374-F412 HydrophobicContact CD1-CD2 4.38Å; F374-F412 HydrophobicContact CD1-CE2 4.36Å; F374-F412 AromaticContact CD2-CE2 3.74Å; F374-F412 HydrophobicContact CD2-CE2 3.74Å; F374-F412 AromaticContact CD2-CZ 3.9Å; F374-F412 HydrophobicContact CD2-CZ 3.9Å; F374-F412 HydrophobicContact CE2-CE2 4.24Å; F374-F412 HydrophobicContact CG-CD2 4.19Å; F374-F412 AromaticContact CG-CE2 3.8Å; F374-F412 HydrophobicContact CG-CE2 3.8Å; F374-F412 HydrophobicContact CG-CZ 4Å; F400-F412 HydrophobicContact CE1-CE1 4.3Å; F400-F412 HydrophobicContact CE1-CZ 4.19Å; F400-F412 HydrophobicContact CE2-CE1 4.29Å; F400-F412 HydrophobicContact CE2-CZ 4.39Å; F400-F412 AromaticContact CZ-CE1 3.89Å; F400-F412 HydrophobicContact CZ-CE1 3.89Å; F400-F412 HydrophobicContact CZ-CZ 4.11Å; F403-F412 HydrophobicContact CD1-CE2 4.01Å; F403-F412 HydrophobicContact CD2-CE2 4.27Å; F403-F412 HydrophobicContact CD2-CZ 4.47Å; F403-F412 AromaticContact CE1-CE2 3.99Å; F403-F412 HydrophobicContact CE1-CE2 3.99Å; F403-F412 HydrophobicContact CE2-CE2 4.25Å; F403-F412 HydrophobicContact CE2-CZ 4.21Å; F403-F412 HydrophobicContact CG-CE2 4.14Å; F403-F412 HydrophobicContact CZ-CE2 4.11Å; F403-F412 HydrophobicContact CZ-CZ 4.28Å; L407-F412 HydrophobicContact CD1-CD2 4.2Å; L407-F412 HydrophobicContact CD2-CD2 4.03Å; L407-F412 HydrophobicContact CD2-CE2 4.41Å
413	T	95.4	Very high	92.5	Very high	68 Å²	68	88.9 Å²	88.9	42%	0.417	43%	0.426	S	S	.	.			trans	-110.9	154.2	177.4	53.3	0	0	0	0	111.9	D367 P409 N410 Y411	D367-T413 WeakPolarHBondContact CB-O 3.39Å; P409-T413 WeakPolarHBondContact O-CG2 2.96Å; N410-T413 PolarHBondContact O-OG1 3.43Å; Y411-T413 VanDerWaalsContact C-N 3.28Å; Y411-T413 PolarHBondContact O-N 2.79Å
414	C	96.2	Very high	91.7	Very high	31 Å²	31	91.7 Å²	91.7	21%	0.209	45%	0.45	C	S	.	.			trans	-121.9	149.8	171.8	-68	0	0	0	0	109.8	C368 D444	C368-C414 HydrophobicContact CB-CB 3.83Å; C368-C414 WeakPolarHBondContact CB-SG 3.46Å; C368-C414 PolarHBondContact N-SG 3.38Å; C368-C414 WeakPolarHBondContact SG-CB 3.48Å; C368-C414 CovalentContact SG-SG 2.02Å; C368-C414 PolarHBondContact SG-SG 3.12Å; C414-D444 CarbonylContact C-O 3.57Å; C414-D444 VanDerWaalsContact CA-O 3.3Å; C414-D444 WeakPolarHBondContact CA-O 3.48Å; C414-D444 VanDerWaalsContact CB-O 3.23Å; C414-D444 WeakPolarHBondContact CB-O 3.32Å
415	R	95.4	Very high	91.6	Very high	150 Å²	150	90.8 Å²	90.8	57%	0.566	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.2	168.1	-175	177.5	64.2	176	0.5	108.6	G443 D444 N494	R415-G443 PolarHBondContact NH2-O 2.87Å; R415-D444 HydrophobicContact CB-CB 3.85Å; R415-D444 PolarHBondContact N-O 3.15Å; R415-D444 PolarHBondContact O-N 3.01Å; R415-N494 PolarHBondContact O-ND2 2.02Å
416	K	95.1	Very high	91.9	Very high	120 Å²	120	90.3 Å²	90.3	52%	0.522	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	141.2	177.5	-175.5	176.4	177.7	-174.8	0	111.4	G496 N498	K416-G496 WeakPolarHBondContact CG-O 3.19Å; K416-N498 WeakPolarHBondContact CE-O 3.48Å; K416-N498 PolarHBondContact NZ-O 3.17Å
417	S	96.4	Very high	92	Very high	4 Å²	4	88 Å²	88	3%	0.028	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	142.3	174.5	66	0	0	0	0	112	D442 A492 N494 G497 N498 D499	S417-D442 CarbonylContact C-O 3.57Å; S417-D442 VanDerWaalsContact CA-O 3.29Å; S417-D442 WeakPolarHBondContact CA-O 3.44Å; S417-A492 PolarHBondContact OG-O 3.15Å; S417-N494 PolarHBondContact N-OD1 3.02Å; S417-N494 VanDerWaalsContact N-OD1 3.13Å; S417-G497 WeakPolarHBondContact CB-O 3.26Å; S417-G497 PolarHBondContact OG-O 3.18Å; S417-N498 WeakPolarHBondContact OG-CA 3.42Å; S417-D499 WeakPolarHBondContact O-CB 3.45Å; S417-D499 PolarHBondContact OG-N 3.22Å
418	R	95.8	Very high	92.1	Very high	169 Å²	169	91.2 Å²	91.2	64%	0.638	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	121	179	-173.9	-179.5	-176.4	-164	1	110.1	A441 D442 D499	R418-A441 CarbonylContact O-C 3.58Å; R418-A441 VanDerWaalsContact O-CA 3.23Å; R418-A441 WeakPolarHBondContact O-CA 3.23Å; R418-A441 WeakPolarHBondContact O-CB 3.22Å; R418-D442 PolarHBondContact N-O 3.05Å; R418-D442 PolarHBondContact O-N 3.48Å; R418-D499 WeakPolarHBondContact CA-OD2 3.42Å
419	I	94.7	Very high	92.2	Very high	3 Å²	3	86.9 Å²	86.9	2%	0.015	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.5	175.6	-62.5	171.2	0	0	0	108.6	D421 A441 C490 A492 D499	I419-D421 WeakPolarHBondContact CG2-O 3.39Å; I419-A441 HydrophobicContact CG1-CB 4.11Å; I419-C490 HydrophobicContact CD1-CB 4.49Å; I419-A492 HydrophobicContact CD1-CB 4.28Å; I419-A492 HydrophobicContact CG1-CB 3.81Å; I419-D499 HydrophobicContact CG1-CB 4.27Å; I419-D499 PolarHBondContact N-OD2 2.8Å
420	R	91.1	Very high	92.3	Very high	156 Å²	156	85.3 Å²	85.3	59%	0.589	39%	0.394	S	S	*	.	S	Bend	trans	-66.5	-55	-174.4	-70.2	-176.6	175.3	-179.3	1	111.9	Q440 D442	R420-Q440 PolarHBondContact N-O 2.96Å; R420-D442 WeakPolarHBondContact CG-OD2 3.33Å; R420-D442 IonicContact CZ-OD1 3.12Å; R420-D442 VanDerWaalsContact CZ-OD1 3.31Å; R420-D442 IonicContact CZ-OD2 2.71Å; R420-D442 IonicContact NE-OD1 2.74Å; R420-D442 PolarHBondContact NE-OD1 2.78Å; R420-D442 VanDerWaalsContact NE-OD1 3.13Å; R420-D442 IonicContact NE-OD2 3.85Å; R420-D442 PolarHBondContact NE-OD2 3.13Å; R420-D442 IonicContact NH2-OD1 3.99Å; R420-D442 PolarHBondContact NH2-OD1 3.06Å; R420-D442 IonicContact NH2-OD2 2.79Å; R420-D442 PolarHBondContact NH2-OD2 3.13Å
421	D	87	Confident	92.5	Very high	95 Å²	95	84.4 Å²	84.4	51%	0.508	39%	0.386	S	S	.	.			trans	-95.8	115.5	179	-170.9	2	0	0	0	110.6	I419 K423	I419-D421 WeakPolarHBondContact CG2-O 3.39Å; D421-K423 VanDerWaalsContact OD1-CB 3.26Å; D421-K423 WeakPolarHBondContact OD1-CB 3.36Å; D421-K423 PolarHBondContact OD1-N 2.86Å
422	R	80.8	Confident	92.2	Very high	158 Å²	158	84.2 Å²	84.2	60%	0.596	40%	0.396	S	S	*	.			trans	-98.9	1.5	179.5	-68.5	-171.7	167.9	-149.8	-12.6	113.1	A424 D499	R422-A424 PolarHBondContact O-N 3.11Å; R422-D499 IonicContact CZ-OD2 3.56Å; R422-D499 IonicContact NH2-OD1 3.18Å; R422-D499 PolarHBondContact NH2-OD1 3.13Å; R422-D499 IonicContact NH2-OD2 2.89Å; R422-D499 PolarHBondContact NH2-OD2 2.85Å
423	K	85.9	Confident	92.1	Very high	165 Å²	165	85.5 Å²	85.5	72%	0.717	41%	0.408	S	S	*	.	S	Bend	trans	-66.8	126	177.8	-165.6	177.2	179.8	-179.5	0	108.9	D421 Q425	D421-K423 VanDerWaalsContact OD1-CB 3.26Å; D421-K423 WeakPolarHBondContact OD1-CB 3.36Å; D421-K423 PolarHBondContact OD1-N 2.86Å; K423-Q425 PolarHBondContact O-N 3.35Å; K423-Q425 VanDerWaalsContact O-N 3.13Å
424	A	80.7	Confident	92.1	Very high	68 Å²	68	86.9 Å²	86.9	56%	0.562	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-58.1	120.6	174.9	0	0	0	0	0	109	R422	R422-A424 PolarHBondContact O-N 3.11Å
425	Q	92.3	Very high	92	Very high	35 Å²	35	85.6 Å²	85.6	16%	0.164	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.4	176.9	-71.2	173.1	64.4	0	0	108.3	K423 F437 A438 A503 H504	K423-Q425 PolarHBondContact O-N 3.35Å; K423-Q425 VanDerWaalsContact O-N 3.13Å; Q425-F437 HydrophobicContact CB-CD1 3.78Å; Q425-F437 HydrophobicContact CB-CE1 4.1Å; Q425-A438 PolarHBondContact NE2-O 3.21Å; Q425-A503 HydrophobicContact CB-CB 4.19Å; Q425-A503 CarbonylContact O-C 3.57Å; Q425-A503 VanDerWaalsContact O-CA 3.27Å; Q425-A503 WeakPolarHBondContact O-CA 3.16Å; Q425-H504 PolarHBondContact O-N 3.34Å
426	Q	95.3	Very high	92.1	Very high	109 Å²	109	81.9 Å²	81.9	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.6	175.2	-172.3	171.4	11.3	0	0	108.6	F428 H504 H506	Q426-F428 HydrophobicContact CG-CE2 3.75Å; Q426-F428 HydrophobicContact CG-CZ 4.11Å; Q426-F428 VanDerWaalsContact NE2-CZ 3.33Å; Q426-H504 CarbonylContact C-O 3.6Å; Q426-H504 WeakPolarHBondContact CA-O 3.38Å; Q426-H504 HydrophobicContact CB-CB 4.36Å; Q426-H504 HydrophobicContact CG-CB 4.02Å; Q426-H506 PolarHBondContact NE2-CD2 2.83Å; Q426-H506 PolarHBondContact NE2-NE2 2.83Å
427	K	94.6	Very high	92.1	Very high	79 Å²	79	76.2 Å²	76.2	34%	0.343	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.3	-179.5	-69.1	-170.4	172.5	-167.3	0	110.4	V435 H436 F437 H504 L505 H506	K427-V435 HydrophobicContact CB-CG1 4.21Å; K427-V435 HydrophobicContact CD-CG1 3.49Å; K427-V435 VanDerWaalsContact CD-CG1 3.49Å; K427-V435 HydrophobicContact CG-CG1 4.45Å; K427-H436 VanDerWaalsContact CE-O 3.26Å; K427-H436 WeakPolarHBondContact CE-O 3.23Å; K427-H436 PolarHBondContact NZ-O 3.45Å; K427-F437 HydrophobicContact CB-CE1 4.07Å; K427-F437 HydrophobicContact CB-CZ 4.05Å; K427-F437 HydrophobicContact CD-CD1 4.33Å; K427-F437 HydrophobicContact CD-CE1 3.89Å; K427-F437 HydrophobicContact CD-CZ 4.3Å; K427-F437 HydrophobicContact CG-CE1 3.78Å; K427-F437 HydrophobicContact CG-CZ 4.25Å; K427-H504 PolarHBondContact N-O 3.36Å; K427-L505 HydrophobicContact CB-CD1 4.49Å; K427-H506 PolarHBondContact O-N 3.09Å
428	F	94.8	Very high	92	Very high	119 Å²	119	78.3 Å²	78.3	52%	0.522	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.8	174	-61.4	-96.3	0	0	0	107.4	Q426 H506 H508	Q426-F428 HydrophobicContact CG-CE2 3.75Å; Q426-F428 HydrophobicContact CG-CZ 4.11Å; Q426-F428 VanDerWaalsContact NE2-CZ 3.33Å; F428-H506 WeakPolarHBondContact CA-O 3.32Å; F428-H506 HydrophobicContact CD1-CB 3.44Å; F428-H506 VanDerWaalsContact CD1-CB 3.44Å; F428-H506 AromaticContact CD1-CD2 3.95Å; F428-H506 AromaticContact CD1-CG 3.86Å; F428-H506 HydrophobicContact CE1-CB 3.74Å; F428-H506 AromaticContact CE1-CD2 3.45Å; F428-H506 VanDerWaalsContact CE1-CD2 3.45Å; F428-H506 WeakPolarHBondContact CE1-CD2 3.27Å; F428-H506 AromaticContact CE1-CG 3.61Å; F428-H506 HydrophobicContact CG-CB 4.18Å; F428-H506 AromaticContact CZ-CD2 3.66Å; F428-H508 AromaticContact CD1-NE2 3.83Å
429	V	94.1	Very high	92	Very high	26 Å²	26	70.3 Å²	70.3	16%	0.158	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.3	-175.4	-60	0	0	0	0	111.3	A433 V435 A480 L505 H506 I507 H508	V429-A433 HydrophobicContact CB-CB 3.98Å; V429-A433 HydrophobicContact CG2-CB 4.4Å; V429-V435 HydrophobicContact CB-CG2 4.24Å; V429-V435 HydrophobicContact CG1-CG2 3.79Å; V429-V435 HydrophobicContact CG2-CG2 3.73Å; V429-A480 HydrophobicContact CG2-CB 4.27Å; V429-L505 HydrophobicContact CG2-CD1 3.78Å; V429-H506 PolarHBondContact N-O 3.2Å; V429-I507 HydrophobicContact CG2-CG1 4.05Å; V429-I507 CarbonylContact O-C 3.52Å; V429-I507 VanDerWaalsContact O-CA 3.25Å; V429-I507 WeakPolarHBondContact O-CA 3.33Å; V429-H508 PolarHBondContact O-N 2.82Å
430	D	92.3	Very high	92	Very high	80 Å²	80	74.7 Å²	74.7	43%	0.428	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	155.5	171.9	-58.1	-43.1	0	0	0	111	G432 A433	D430-G432 PolarHBondContact O-N 3.26Å; D430-A433 VanDerWaalsContact O-CB 3.28Å; D430-A433 WeakPolarHBondContact O-CB 3.2Å; D430-A433 PolarHBondContact O-N 2.92Å
431	E	92.7	Very high	92.2	Very high	93 Å²	93	68.1 Å²	68.1	44%	0.435	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.6	172.9	-174.5	168.6	-135	0	0	111.5	I507 H508	E431-I507 HydrophobicContact CB-CG2 4.29Å; E431-H508 PolarHBondContact N-O 2.92Å; E431-H508 VanDerWaalsContact N-O 3.11Å
432	G	90.3	Very high	92.6	Very high	35 Å²	35	66.4 Å²	66.4	36%	0.361	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-10.7	-177.7	0	0	0	0	0	115.4	D430 A480	D430-G432 PolarHBondContact O-N 3.26Å; G432-A480 PolarHBondContact N-O 3.35Å
433	A	93.3	Very high	93.2	Very high	33 Å²	33	59.4 Å²	59.4	27%	0.273	32%	0.322	S	S	.	.			trans	-67.7	159.3	178	0	0	0	0	0	113.4	V429 D430 Y479 A480	V429-A433 HydrophobicContact CB-CB 3.98Å; V429-A433 HydrophobicContact CG2-CB 4.4Å; D430-A433 VanDerWaalsContact O-CB 3.28Å; D430-A433 WeakPolarHBondContact O-CB 3.2Å; D430-A433 PolarHBondContact O-N 2.92Å; A433-Y479 PolarHBondContact O-N 2.93Å; A433-A480 WeakPolarHBondContact O-CB 3.42Å; A433-A480 PolarHBondContact O-N 2.75Å
434	I	95.2	Very high	93.6	Very high	97 Å²	97	55.9 Å²	55.9	50%	0.497	31%	0.311	S	S	.	.			trans	-98.2	132.6	171.8	-56	174.6	0	0	0	108.8	E476 V477	I434-E476 HydrophobicContact CG2-CG 4.3Å; I434-V477 WeakPolarHBondContact CA-O 3.41Å
435	V	95.3	Very high	94.3	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.6	-176.6	-167.3	0	0	0	0	111.5	K427 V429 F437 E476 V477 A480 L505	K427-V435 HydrophobicContact CB-CG1 4.21Å; K427-V435 HydrophobicContact CD-CG1 3.49Å; K427-V435 VanDerWaalsContact CD-CG1 3.49Å; K427-V435 HydrophobicContact CG-CG1 4.45Å; V429-V435 HydrophobicContact CB-CG2 4.24Å; V429-V435 HydrophobicContact CG1-CG2 3.79Å; V429-V435 HydrophobicContact CG2-CG2 3.73Å; V435-F437 HydrophobicContact CG1-CD2 4.36Å; V435-F437 HydrophobicContact CG1-CE2 3.87Å; V435-F437 HydrophobicContact CG1-CZ 4.05Å; V435-E476 WeakPolarHBondContact O-CA 3.47Å; V435-V477 HydrophobicContact CB-CB 4.2Å; V435-V477 PolarHBondContact N-O 3.13Å; V435-V477 PolarHBondContact O-N 2.88Å; V435-A480 HydrophobicContact CG2-CB 4.49Å; V435-L505 HydrophobicContact CB-CD1 4.49Å; V435-L505 HydrophobicContact CG1-CD1 4.1Å; V435-L505 HydrophobicContact CG2-CD1 4.02Å
436	H	96.1	Very high	94.4	Very high	73 Å²	73	55.9 Å²	55.9	34%	0.338	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.7	174	-57.9	91.2	0	0	0	111.9	K427 T474 L475 E476	K427-H436 VanDerWaalsContact CE-O 3.26Å; K427-H436 WeakPolarHBondContact CE-O 3.23Å; K427-H436 PolarHBondContact NZ-O 3.45Å; H436-T474 HydrophobicContact CB-CG2 3.87Å; H436-L475 CarbonylContact C-O 3.52Å; H436-L475 VanDerWaalsContact CA-O 3.23Å; H436-L475 WeakPolarHBondContact CA-O 3.49Å; H436-E476 IonicContact CD2-OE1 3.87Å; H436-E476 IonicContact CE1-OE1 3.88Å; H436-E476 IonicContact NE2-OE1 3.02Å; H436-E476 PolarHBondContact NE2-OE1 2.82Å
437	F	95.8	Very high	94.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.6	168.4	-68.2	-71.5	0	0	0	109.5	Q425 K427 V435 W451 T474 L475 A503 L505	Q425-F437 HydrophobicContact CB-CD1 3.78Å; Q425-F437 HydrophobicContact CB-CE1 4.1Å; K427-F437 HydrophobicContact CB-CE1 4.07Å; K427-F437 HydrophobicContact CB-CZ 4.05Å; K427-F437 HydrophobicContact CD-CD1 4.33Å; K427-F437 HydrophobicContact CD-CE1 3.89Å; K427-F437 HydrophobicContact CD-CZ 4.3Å; K427-F437 HydrophobicContact CG-CE1 3.78Å; K427-F437 HydrophobicContact CG-CZ 4.25Å; V435-F437 HydrophobicContact CG1-CD2 4.36Å; V435-F437 HydrophobicContact CG1-CE2 3.87Å; V435-F437 HydrophobicContact CG1-CZ 4.05Å; F437-W451 HydrophobicContact CB-CH2 3.51Å; F437-W451 HydrophobicContact CB-CZ2 3.96Å; F437-W451 HydrophobicContact CB-CZ3 4.18Å; F437-W451 VanDerWaalsContact O-CZ2 3.23Å; F437-W451 WeakPolarHBondContact O-CZ2 3.35Å; F437-T474 CarbonylContact O-C 3.54Å; F437-T474 VanDerWaalsContact O-CA 3.29Å; F437-T474 WeakPolarHBondContact O-CA 2.96Å; F437-T474 WeakPolarHBondContact O-CG2 3.28Å; F437-L475 HydrophobicContact CB-CB 4.35Å; F437-L475 HydrophobicContact CD2-CD2 4.21Å; F437-L475 PolarHBondContact N-O 2.65Å; F437-L475 PolarHBondContact O-N 3.22Å; F437-A503 HydrophobicContact CB-CB 4.24Å; F437-A503 HydrophobicContact CD1-CB 3.58Å; F437-A503 HydrophobicContact CD2-CB 4.32Å; F437-A503 HydrophobicContact CE1-CB 3.87Å; F437-A503 HydrophobicContact CG-CB 3.8Å; F437-A503 HydrophobicContact CZ-CB 4.36Å; F437-L505 HydrophobicContact CE2-CB 4.04Å; F437-L505 HydrophobicContact CE2-CD1 4.48Å; F437-L505 HydrophobicContact CZ-CB 3.94Å; F437-L505 HydrophobicContact CZ-CD1 4.31Å
438	A	95	Very high	94.3	Very high	48 Å²	48	52.2 Å²	52.2	40%	0.397	31%	0.307	S	S	.	.			trans	-75.8	137.6	-175.7	0	0	0	0	0	110.4	Q425	Q425-A438 PolarHBondContact NE2-O 3.21Å
439	C	94.3	Very high	94.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	29%	0.288	C	S	.	.			trans	-144.9	99.4	170.8	-172.8	0	0	0	0	110.9	I449 W451 C490	C439-I449 HydrophobicContact CB-CG2 4.3Å; C439-W451 HydrophobicContact CB-CH2 4.21Å; C439-W451 HydrophobicContact CB-CZ2 3.42Å; C439-W451 VanDerWaalsContact CB-CZ2 3.42Å; C439-C490 HydrophobicContact CB-CB 3.74Å; C439-C490 WeakPolarHBondContact CB-SG 3.33Å; C439-C490 WeakPolarHBondContact SG-CB 3.36Å; C439-C490 CovalentContact SG-SG 2.01Å; C439-C490 PolarHBondContact SG-SG 2.92Å
440	Q	94.6	Very high	94.4	Very high	95 Å²	95	48.8 Å²	48.8	44%	0.444	29%	0.292	S	S	.	.			trans	-107.4	131	178.3	-63.2	178.4	1.8	0	0	109.3	R420	R420-Q440 PolarHBondContact N-O 2.96Å
441	A	94.9	Very high	94.6	Very high	19 Å²	19	45 Å²	45	16%	0.157	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.3	179.4	0	0	0	0	0	111.9	R418 I419 P447 I449 A492	R418-A441 CarbonylContact O-C 3.58Å; R418-A441 VanDerWaalsContact O-CA 3.23Å; R418-A441 WeakPolarHBondContact O-CA 3.23Å; R418-A441 WeakPolarHBondContact O-CB 3.22Å; I419-A441 HydrophobicContact CG1-CB 4.11Å; A441-P447 HydrophobicContact CB-CG 3.76Å; A441-I449 HydrophobicContact CB-CD1 3.79Å; A441-A492 HydrophobicContact CB-CB 3.44Å; A441-A492 VanDerWaalsContact CB-CB 3.44Å
442	D	95.4	Very high	94.8	Very high	59 Å²	59	42.6 Å²	42.6	32%	0.316	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.3	171	-66.3	-49	0	0	0	110.2	S417 R418 R420	S417-D442 CarbonylContact C-O 3.57Å; S417-D442 VanDerWaalsContact CA-O 3.29Å; S417-D442 WeakPolarHBondContact CA-O 3.44Å; R418-D442 PolarHBondContact N-O 3.05Å; R418-D442 PolarHBondContact O-N 3.48Å; R420-D442 WeakPolarHBondContact CG-OD2 3.33Å; R420-D442 IonicContact CZ-OD1 3.12Å; R420-D442 VanDerWaalsContact CZ-OD1 3.31Å; R420-D442 IonicContact CZ-OD2 2.71Å; R420-D442 IonicContact NE-OD1 2.74Å; R420-D442 PolarHBondContact NE-OD1 2.78Å; R420-D442 VanDerWaalsContact NE-OD1 3.13Å; R420-D442 IonicContact NE-OD2 3.85Å; R420-D442 PolarHBondContact NE-OD2 3.13Å; R420-D442 IonicContact NH2-OD1 3.99Å; R420-D442 PolarHBondContact NH2-OD1 3.06Å; R420-D442 IonicContact NH2-OD2 2.79Å; R420-D442 PolarHBondContact NH2-OD2 3.13Å
443	G	95	Very high	95	Very high	11 Å²	11	41.1 Å²	41.1	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	173.1	177.1	0	0	0	0	0	109.7	R415 P445	R415-G443 PolarHBondContact NH2-O 2.87Å; G443-P445 CarbonylContact C-O 3.5Å
444	D	94.3	Very high	95	Very high	90 Å²	90	41.7 Å²	41.7	48%	0.481	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	111.5	165.8	-173.9	26.3	0	0	0	108.7	C414 R415 N494	C414-D444 CarbonylContact C-O 3.57Å; C414-D444 VanDerWaalsContact CA-O 3.3Å; C414-D444 WeakPolarHBondContact CA-O 3.48Å; C414-D444 VanDerWaalsContact CB-O 3.23Å; C414-D444 WeakPolarHBondContact CB-O 3.32Å; R415-D444 HydrophobicContact CB-CB 3.85Å; R415-D444 PolarHBondContact N-O 3.15Å; R415-D444 PolarHBondContact O-N 3.01Å; D444-N494 PolarHBondContact N-ND2 3.02Å
445	P	95.4	Very high	94.8	Very high	18 Å²	18	41 Å²	41	12%	0.117	24%	0.242	C	C	.	.	S	Bend	cis	-64.5	164.4	1.9	28.4	-36.2	0	0	0	112.9	G443 N494 A495	G443-P445 CarbonylContact C-O 3.5Å; P445-N494 HydrophobicContact CG-CB 4.39Å; P445-N494 WeakPolarHBondContact O-CB 3.29Å; P445-N494 PolarHBondContact O-ND2 3.43Å; P445-A495 HydrophobicContact CG-CB 4.43Å
446	A	94.1	Very high	94.7	Very high	85 Å²	85	49.4 Å²	49.4	70%	0.702	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-53.4	129	178.6	0	0	0	0	0	111
447	P	94.8	Very high	94.5	Very high	23 Å²	23	52.8 Å²	52.8	15%	0.149	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-74.4	143	-174.4	29.4	-33.9	0	0	0	112.6	A441 A492 S493 N494	A441-P447 HydrophobicContact CB-CG 3.76Å; P447-A492 HydrophobicContact CB-CB 4.35Å; P447-S493 CarbonylContact C-O 3.55Å; P447-S493 WeakPolarHBondContact CA-O 3.43Å; P447-N494 HydrophobicContact CB-CB 4.28Å
448	V	93.7	Very high	94.4	Very high	89 Å²	89	58.8 Å²	58.8	54%	0.539	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.7	169.5	-178.6	0	0	0	0	108.5	S493	V448-S493 PolarHBondContact N-O 2.93Å; V448-S493 PolarHBondContact O-N 3.49Å
449	I	95.3	Very high	94.4	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.8	177.9	-52.9	-58.2	0	0	0	110	C439 A441 G473 A492	C439-I449 HydrophobicContact CB-CG2 4.3Å; A441-I449 HydrophobicContact CB-CD1 3.79Å; I449-G473 WeakPolarHBondContact CG2-O 3.43Å; I449-A492 HydrophobicContact CD1-CB 3.63Å
450	M	95.6	Very high	94.3	Very high	50 Å²	50	58.8 Å²	58.8	25%	0.246	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.9	171.1	60.9	-176.6	58.8	0	0	110.6	F458 I459 T460 I491	M450-F458 HydrophobicContact SD-CD1 4.07Å; M450-F458 HydrophobicContact SD-CE1 4.25Å; M450-I459 WeakPolarHBondContact CA-O 3.45Å; M450-T460 HydrophobicContact CB-CG2 4.25Å; M450-I491 HydrophobicContact CG-CB 3.89Å; M450-I491 HydrophobicContact CG-CG2 4.35Å; M450-I491 PolarHBondContact N-O 3.42Å; M450-I491 PolarHBondContact O-N 3.43Å
451	W	96.4	Very high	94	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.1	-178.3	-73.9	84.5	0	0	0	111.1	F437 C439 F458 I459 G473 L475 V489 C490 A503	F437-W451 HydrophobicContact CB-CH2 3.51Å; F437-W451 HydrophobicContact CB-CZ2 3.96Å; F437-W451 HydrophobicContact CB-CZ3 4.18Å; F437-W451 VanDerWaalsContact O-CZ2 3.23Å; F437-W451 WeakPolarHBondContact O-CZ2 3.35Å; C439-W451 HydrophobicContact CB-CH2 4.21Å; C439-W451 HydrophobicContact CB-CZ2 3.42Å; C439-W451 VanDerWaalsContact CB-CZ2 3.42Å; W451-F458 CarbonylContact O-C 3.51Å; W451-F458 WeakPolarHBondContact O-CA 3.39Å; W451-I459 HydrophobicContact CB-CB 4.28Å; W451-I459 HydrophobicContact CB-CD1 4.34Å; W451-I459 PolarHBondContact N-O 2.8Å; W451-I459 PolarHBondContact O-N 3.49Å; W451-G473 PolarHBondContact NE1-O 2.84Å; W451-L475 HydrophobicContact CB-CD1 4.33Å; W451-L475 HydrophobicContact CB-CD2 4.36Å; W451-L475 HydrophobicContact CD2-CB 3.62Å; W451-L475 HydrophobicContact CD2-CD2 3.92Å; W451-L475 HydrophobicContact CD2-CG 4.31Å; W451-L475 VanDerWaalsContact CE2-CB 3.44Å; W451-L475 HydrophobicContact CE3-CB 4.24Å; W451-L475 HydrophobicContact CE3-CD2 3.84Å; W451-L475 HydrophobicContact CG-CB 3.82Å; W451-L475 HydrophobicContact CG-CD1 4.33Å; W451-L475 HydrophobicContact CG-CD2 4.19Å; W451-L475 HydrophobicContact CG-CG 4.35Å; W451-L475 HydrophobicContact CH2-CB 4.46Å; W451-L475 HydrophobicContact CZ2-CB 3.87Å; W451-L475 HydrophobicContact CZ3-CD2 4.37Å; W451-V489 CarbonylContact C-O 3.55Å; W451-V489 WeakPolarHBondContact CA-O 2.97Å; W451-C490 HydrophobicContact CD2-CB 3.96Å; W451-C490 HydrophobicContact CE3-CB 3.89Å; W451-C490 HydrophobicContact CH2-CB 3.69Å; W451-C490 HydrophobicContact CZ2-CB 3.75Å; W451-C490 HydrophobicContact CZ3-CB 3.75Å; W451-A503 HydrophobicContact CH2-CB 4.18Å; W451-A503 HydrophobicContact CZ3-CB 3.85Å
452	L	96.4	Very high	93.6	Very high	42 Å²	42	65.2 Å²	65.2	22%	0.22	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.4	171	-172.6	67.3	0	0	0	109	F458 Y488 V489 I491	L452-F458 HydrophobicContact CD1-CD1 4.17Å; L452-F458 HydrophobicContact CD1-CD2 4.3Å; L452-F458 HydrophobicContact CD1-CE1 4.07Å; L452-F458 HydrophobicContact CD1-CE2 4.2Å; L452-F458 HydrophobicContact CD1-CG 4.28Å; L452-F458 HydrophobicContact CD1-CZ 4.09Å; L452-Y488 WeakPolarHBondContact O-CA 3.37Å; L452-V489 HydrophobicContact CB-CB 4.11Å; L452-V489 PolarHBondContact N-O 2.84Å; L452-V489 PolarHBondContact O-N 2.99Å; L452-I491 HydrophobicContact CB-CD1 4.43Å
453	S	94.7	Very high	93.3	Very high	5 Å²	5	64.9 Å²	64.9	4%	0.035	35%	0.347	C	S	.	.			trans	-75	163	176.3	87.9	0	0	0	0	112	Q455 K456 K457	S453-Q455 PolarHBondContact O-N 2.81Å; S453-Q455 VanDerWaalsContact O-N 3.1Å; S453-Q455 PolarHBondContact OG-N 3.03Å; S453-Q455 PolarHBondContact OG-OE1 2.92Å; S453-K456 WeakPolarHBondContact O-CA 3.21Å; S453-K456 PolarHBondContact O-N 3.15Å; S453-K457 PolarHBondContact N-O 2.85Å; S453-K457 PolarHBondContact OG-N 3.13Å
454	P	93.1	Very high	92.8	Very high	44 Å²	44	72.5 Å²	72.5	29%	0.286	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.1	174.6	-24.3	32.5	0	0	0	113.4	K456 Y488	P454-K456 PolarHBondContact O-N 3.29Å; P454-Y488 HydrophobicContact CG-CD2 4.1Å; P454-Y488 HydrophobicContact CG-CE2 3.81Å
455	Q	91.6	Very high	92.5	Very high	83 Å²	83	70.3 Å²	70.3	39%	0.388	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	16.9	177	-45.8	76.1	21.1	0	0	112.9	S453 K457 Q483	S453-Q455 PolarHBondContact O-N 2.81Å; S453-Q455 VanDerWaalsContact O-N 3.1Å; S453-Q455 PolarHBondContact OG-N 3.03Å; S453-Q455 PolarHBondContact OG-OE1 2.92Å; Q455-K457 VanDerWaalsContact C-N 3.28Å; Q455-K457 PolarHBondContact O-N 3.19Å; Q455-Q483 PolarHBondContact NE2-O 2.85Å
456	K	92.4	Very high	92.3	Very high	179 Å²	179	73.4 Å²	73.4	78%	0.778	39%	0.392	S	S	*	.	S	Bend	trans	61	29.8	178.8	-53.3	-179.4	179.4	179.4	0	114.3	S453 P454	S453-K456 WeakPolarHBondContact O-CA 3.21Å; S453-K456 PolarHBondContact O-N 3.15Å; P454-K456 PolarHBondContact O-N 3.29Å
457	K	92.5	Very high	92.3	Very high	145 Å²	145	70.8 Å²	70.8	63%	0.63	37%	0.366	S	S	*	.			trans	-97.7	132.6	174.4	-64.5	-178.3	178.7	178	0	110.2	S453 Q455	S453-K457 PolarHBondContact N-O 2.85Å; S453-K457 PolarHBondContact OG-N 3.13Å; Q455-K457 VanDerWaalsContact C-N 3.28Å; Q455-K457 PolarHBondContact O-N 3.19Å
458	F	93.9	Very high	92.3	Very high	126 Å²	126	70.7 Å²	70.7	55%	0.553	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.7	173.2	-72.3	-81.9	0	0	0	110.9	M450 W451 L452 I491	M450-F458 HydrophobicContact SD-CD1 4.07Å; M450-F458 HydrophobicContact SD-CE1 4.25Å; W451-F458 CarbonylContact O-C 3.51Å; W451-F458 WeakPolarHBondContact O-CA 3.39Å; L452-F458 HydrophobicContact CD1-CD1 4.17Å; L452-F458 HydrophobicContact CD1-CD2 4.3Å; L452-F458 HydrophobicContact CD1-CE1 4.07Å; L452-F458 HydrophobicContact CD1-CE2 4.2Å; L452-F458 HydrophobicContact CD1-CG 4.28Å; L452-F458 HydrophobicContact CD1-CZ 4.09Å; F458-I491 HydrophobicContact CE1-CD1 3.91Å
459	I	94.6	Very high	92.4	Very high	5 Å²	5	67.1 Å²	67.1	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.2	177	-47.4	157.9	0	0	0	106.2	M450 W451 T463 L467 V469 L475 Y488	M450-I459 WeakPolarHBondContact CA-O 3.45Å; W451-I459 HydrophobicContact CB-CB 4.28Å; W451-I459 HydrophobicContact CB-CD1 4.34Å; W451-I459 PolarHBondContact N-O 2.8Å; W451-I459 PolarHBondContact O-N 3.49Å; I459-T463 HydrophobicContact CG2-CG2 4.14Å; I459-L467 HydrophobicContact CD1-CB 3.94Å; I459-L467 HydrophobicContact CD1-CD1 4.09Å; I459-L467 HydrophobicContact CD1-CD2 4.39Å; I459-L467 HydrophobicContact CD1-CG 4.37Å; I459-L467 HydrophobicContact CG1-CB 4.39Å; I459-L467 HydrophobicContact CG2-CB 4.31Å; I459-V469 HydrophobicContact CB-CG2 4.37Å; I459-V469 HydrophobicContact CG2-CG2 3.9Å; I459-L475 HydrophobicContact CD1-CD1 3.86Å; I459-L475 HydrophobicContact CG2-CD1 4.34Å; I459-Y488 HydrophobicContact CD1-CE1 4.39Å
460	T	92.6	Very high	92.2	Very high	44 Å²	44	68.7 Å²	68.7	27%	0.27	35%	0.353	S	S	.	.			trans	-126.7	174.2	-176.2	66.5	0	0	0	0	109.5	M450 K462 T463	M450-T460 HydrophobicContact CB-CG2 4.25Å; T460-K462 PolarHBondContact O-N 2.99Å; T460-K462 PolarHBondContact OG1-N 3.32Å; T460-T463 PolarHBondContact N-OG1 2.75Å; T460-T463 WeakPolarHBondContact O-CB 3.49Å; T460-T463 PolarHBondContact O-N 2.92Å; T460-T463 PolarHBondContact O-OG1 3.35Å; T460-T463 PolarHBondContact OG1-OG1 3.41Å
461	S	87.8	Confident	92	Very high	92 Å²	92	73.1 Å²	73.1	64%	0.643	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.6	171.8	56.9	0	0	0	0	113.6
462	K	86.1	Confident	91.7	Very high	157 Å²	157	76.9 Å²	76.9	68%	0.683	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.9	175.3	-62.1	-175.3	-179.2	-178.3	0	113	E320 T460 I464	E320-K462 IonicContact OE1-NZ 3.17Å; E320-K462 PolarHBondContact OE1-NZ 3.32Å; T460-K462 PolarHBondContact O-N 2.99Å; T460-K462 PolarHBondContact OG1-N 3.32Å; K462-I464 PolarHBondContact O-N 3.48Å
463	T	88.6	Confident	91.5	Very high	51 Å²	51	75 Å²	75	31%	0.313	40%	0.397	S	S	.	.			trans	-78.5	121.7	-176.6	-55.4	0	0	0	0	110.5	I459 T460	I459-T463 HydrophobicContact CG2-CG2 4.14Å; T460-T463 PolarHBondContact N-OG1 2.75Å; T460-T463 WeakPolarHBondContact O-CB 3.49Å; T460-T463 PolarHBondContact O-N 2.92Å; T460-T463 PolarHBondContact O-OG1 3.35Å; T460-T463 PolarHBondContact OG1-OG1 3.41Å
464	I	84.8	Confident	91.5	Very high	171 Å²	171	75.3 Å²	75.3	88%	0.877	40%	0.398	S	S	*	.			trans	-102.4	124.6	177.9	-56	172.8	0	0	0	109	K462	K462-I464 PolarHBondContact O-N 3.48Å
465	G	88.6	Confident	91.6	Very high	45 Å²	45	73.2 Å²	73.2	46%	0.464	38%	0.384	S	S	.	.	S	Bend	trans	163.5	-164	176.9	0	0	0	0	0	113.2	L467	G465-L467 PolarHBondContact O-N 2.9Å
466	R	91.9	Very high	91.8	Very high	83 Å²	83	70.3 Å²	70.3	31%	0.313	37%	0.371	S	S	.	.	S	Bend	trans	-62.9	-32.5	174	-68.9	-170	-57.8	100.4	0.2	112.6	R478 Y479 D484	R466-R478 WeakPolarHBondContact CB-O 3.46Å; R466-R478 PolarHBondContact NH1-O 3.35Å; R466-R478 PolarHBondContact O-N 3.32Å; R466-Y479 PolarHBondContact NH1-O 2.98Å; R466-D484 IonicContact CZ-OD2 3.59Å; R466-D484 IonicContact NH1-OD1 3.78Å; R466-D484 IonicContact NH1-OD2 2.76Å; R466-D484 PolarHBondContact NH1-OD2 2.9Å; R466-D484 IonicContact NH2-OD1 3.26Å; R466-D484 PolarHBondContact NH2-OD1 3.49Å; R466-D484 IonicContact NH2-OD2 3.48Å; R466-D484 PolarHBondContact NH2-OD2 3.02Å
467	L	93.5	Very high	92	Very high	29 Å²	29	61.8 Å²	61.8	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.8	175.3	-67.2	165.3	0	0	0	108.2	I459 G465 L475 E476 V477 Y488	I459-L467 HydrophobicContact CD1-CB 3.94Å; I459-L467 HydrophobicContact CD1-CD1 4.09Å; I459-L467 HydrophobicContact CD1-CD2 4.39Å; I459-L467 HydrophobicContact CD1-CG 4.37Å; I459-L467 HydrophobicContact CG1-CB 4.39Å; I459-L467 HydrophobicContact CG2-CB 4.31Å; G465-L467 PolarHBondContact O-N 2.9Å; L467-L475 HydrophobicContact CD2-CD1 4.47Å; L467-E476 WeakPolarHBondContact CA-O 3.29Å; L467-V477 HydrophobicContact CD2-CB 3.94Å; L467-V477 HydrophobicContact CD2-CG1 3.69Å; L467-V477 HydrophobicContact CD2-CG2 3.56Å; L467-Y488 HydrophobicContact CD2-CE1 4.12Å
468	S	94.2	Very high	92.1	Very high	21 Å²	21	60.4 Å²	60.4	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.9	-180	66.8	0	0	0	0	111.7	E476	S468-E476 PolarHBondContact N-O 2.88Å; S468-E476 PolarHBondContact O-N 3.27Å
469	V	95	Very high	92	Very high	15 Å²	15	61.6 Å²	61.6	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.6	176.6	-175	0	0	0	0	108.9	I459	I459-V469 HydrophobicContact CB-CG2 4.37Å; I459-V469 HydrophobicContact CG2-CG2 3.9Å
470	L	93	Very high	91.9	Very high	56 Å²	56	61.3 Å²	61.3	29%	0.293	33%	0.325	S	S	.	.			trans	-73	161.8	176.9	-62.1	-178.7	0	0	0	111.4	D472 G473 T474	L470-D472 WeakPolarHBondContact CB-OD1 3.37Å; L470-D472 PolarHBondContact O-N 2.95Å; L470-D472 VanDerWaalsContact O-N 3.13Å; L470-G473 PolarHBondContact O-N 3.02Å; L470-T474 HydrophobicContact CD1-CG2 4.19Å; L470-T474 PolarHBondContact N-O 3.31Å
471	P	89.8	Confident	91.9	Very high	142 Å²	142	62.4 Å²	62.4	92%	0.922	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-177.7	-25.8	35.3	0	0	0	115.1	G473	P471-G473 VanDerWaalsContact C-N 3.27Å
472	D	90.1	Very high	92	Very high	79 Å²	79	62.5 Å²	62.5	42%	0.422	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.7	176.1	70.7	-22.9	0	0	0	113.4	L470 T474	L470-D472 WeakPolarHBondContact CB-OD1 3.37Å; L470-D472 PolarHBondContact O-N 2.95Å; L470-D472 VanDerWaalsContact O-N 3.13Å; D472-T474 VanDerWaalsContact CG-OG1 3.25Å; D472-T474 VanDerWaalsContact OD1-CB 3.23Å; D472-T474 WeakPolarHBondContact OD1-CB 3.08Å; D472-T474 PolarHBondContact OD1-N 3.33Å; D472-T474 PolarHBondContact OD1-OG1 2.92Å; D472-T474 PolarHBondContact OD2-OG1 3.18Å
473	G	92.4	Very high	92.2	Very high	4 Å²	4	61.1 Å²	61.1	4%	0.041	32%	0.315	C	S	.	.	S	Bend	trans	92.1	-1.9	-178	0	0	0	0	0	114.9	I449 W451 L470 P471 L475	I449-G473 WeakPolarHBondContact CG2-O 3.43Å; W451-G473 PolarHBondContact NE1-O 2.84Å; L470-G473 PolarHBondContact O-N 3.02Å; P471-G473 VanDerWaalsContact C-N 3.27Å; G473-L475 PolarHBondContact O-N 3.34Å
474	T	94.8	Very high	92.4	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.067	30%	0.302	C	S	.	.			trans	-70.3	128.4	-178.7	-63.1	0	0	0	0	111.4	H436 F437 L470 D472	H436-T474 HydrophobicContact CB-CG2 3.87Å; F437-T474 CarbonylContact O-C 3.54Å; F437-T474 VanDerWaalsContact O-CA 3.29Å; F437-T474 WeakPolarHBondContact O-CA 2.96Å; F437-T474 WeakPolarHBondContact O-CG2 3.28Å; L470-T474 HydrophobicContact CD1-CG2 4.19Å; L470-T474 PolarHBondContact N-O 3.31Å; D472-T474 VanDerWaalsContact CG-OG1 3.25Å; D472-T474 VanDerWaalsContact OD1-CB 3.23Å; D472-T474 WeakPolarHBondContact OD1-CB 3.08Å; D472-T474 PolarHBondContact OD1-N 3.33Å; D472-T474 PolarHBondContact OD1-OG1 2.92Å; D472-T474 PolarHBondContact OD2-OG1 3.18Å
475	L	96.2	Very high	92.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.9	170.9	171.7	67	0	0	0	109.7	H436 F437 W451 I459 L467 G473 V477 Y488	H436-L475 CarbonylContact C-O 3.52Å; H436-L475 VanDerWaalsContact CA-O 3.23Å; H436-L475 WeakPolarHBondContact CA-O 3.49Å; F437-L475 HydrophobicContact CB-CB 4.35Å; F437-L475 HydrophobicContact CD2-CD2 4.21Å; F437-L475 PolarHBondContact N-O 2.65Å; F437-L475 PolarHBondContact O-N 3.22Å; W451-L475 HydrophobicContact CB-CD1 4.33Å; W451-L475 HydrophobicContact CB-CD2 4.36Å; W451-L475 HydrophobicContact CD2-CB 3.62Å; W451-L475 HydrophobicContact CD2-CD2 3.92Å; W451-L475 HydrophobicContact CD2-CG 4.31Å; W451-L475 VanDerWaalsContact CE2-CB 3.44Å; W451-L475 HydrophobicContact CE3-CB 4.24Å; W451-L475 HydrophobicContact CE3-CD2 3.84Å; W451-L475 HydrophobicContact CG-CB 3.82Å; W451-L475 HydrophobicContact CG-CD1 4.33Å; W451-L475 HydrophobicContact CG-CD2 4.19Å; W451-L475 HydrophobicContact CG-CG 4.35Å; W451-L475 HydrophobicContact CH2-CB 4.46Å; W451-L475 HydrophobicContact CZ2-CB 3.87Å; W451-L475 HydrophobicContact CZ3-CD2 4.37Å; I459-L475 HydrophobicContact CD1-CD1 3.86Å; I459-L475 HydrophobicContact CG2-CD1 4.34Å; L467-L475 HydrophobicContact CD2-CD1 4.47Å; G473-L475 PolarHBondContact O-N 3.34Å; L475-V477 HydrophobicContact CD2-CG2 4.3Å; L475-V477 HydrophobicContact CG-CG2 4.23Å; L475-Y488 HydrophobicContact CD2-CD1 3.36Å; L475-Y488 HydrophobicContact CD2-CE1 3.82Å; L475-Y488 HydrophobicContact CD2-CG 3.9Å
476	E	95.6	Very high	93.1	Very high	21 Å²	21	52.9 Å²	52.9	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.4	171.6	-178.3	174.8	-108.1	0	0	110.3	I434 V435 H436 L467 S468 R478	I434-E476 HydrophobicContact CG2-CG 4.3Å; V435-E476 WeakPolarHBondContact O-CA 3.47Å; H436-E476 IonicContact CD2-OE1 3.87Å; H436-E476 IonicContact CE1-OE1 3.88Å; H436-E476 IonicContact NE2-OE1 3.02Å; H436-E476 PolarHBondContact NE2-OE1 2.82Å; L467-E476 WeakPolarHBondContact CA-O 3.29Å; S468-E476 PolarHBondContact N-O 2.88Å; S468-E476 PolarHBondContact O-N 3.27Å; E476-R478 HydrophobicContact CG-CG 4.03Å; E476-R478 IonicContact OE2-CZ 3.21Å; E476-R478 IonicContact OE2-NE 2.63Å; E476-R478 PolarHBondContact OE2-NE 3.03Å; E476-R478 IonicContact OE2-NH2 2.72Å; E476-R478 PolarHBondContact OE2-NH2 3.12Å
477	V	95.6	Very high	93.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.6	172.6	-171.7	0	0	0	0	108.2	I434 V435 L467 L475 L505	I434-V477 WeakPolarHBondContact CA-O 3.41Å; V435-V477 HydrophobicContact CB-CB 4.2Å; V435-V477 PolarHBondContact N-O 3.13Å; V435-V477 PolarHBondContact O-N 2.88Å; L467-V477 HydrophobicContact CD2-CB 3.94Å; L467-V477 HydrophobicContact CD2-CG1 3.69Å; L467-V477 HydrophobicContact CD2-CG2 3.56Å; L475-V477 HydrophobicContact CD2-CG2 4.3Å; L475-V477 HydrophobicContact CG-CG2 4.23Å; V477-L505 HydrophobicContact CG1-CD2 4.48Å
478	R	94.3	Very high	93.5	Very high	116 Å²	116	50.2 Å²	50.2	44%	0.438	26%	0.26	S	S	.	.			trans	-89.9	137.5	175.8	-59.5	-175	-176	-174.6	0	111	R466 E476	R466-R478 WeakPolarHBondContact CB-O 3.46Å; R466-R478 PolarHBondContact NH1-O 3.35Å; R466-R478 PolarHBondContact O-N 3.32Å; E476-R478 HydrophobicContact CG-CG 4.03Å; E476-R478 IonicContact OE2-CZ 3.21Å; E476-R478 IonicContact OE2-NE 2.63Å; E476-R478 PolarHBondContact OE2-NE 3.03Å; E476-R478 IonicContact OE2-NH2 2.72Å; E476-R478 PolarHBondContact OE2-NH2 3.12Å
479	Y	92.6	Very high	93.5	Very high	151 Å²	151	50.6 Å²	50.6	59%	0.592	26%	0.261	S	S	*	.	S	Bend	trans	51.6	65	179.4	-52.6	-75.2	0	0	0	111.3	A433 R466 Q481	A433-Y479 PolarHBondContact O-N 2.93Å; R466-Y479 PolarHBondContact NH1-O 2.98Å; Y479-Q481 WeakPolarHBondContact O-CG 3.23Å; Y479-Q481 PolarHBondContact O-N 2.89Å; Y479-Q481 PolarHBondContact O-NE2 2.97Å
480	A	92.9	Very high	93.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.			trans	-52.2	129.5	-177.4	0	0	0	0	0	111.1	V429 G432 A433 V435 I507	V429-A480 HydrophobicContact CG2-CB 4.27Å; G432-A480 PolarHBondContact N-O 3.35Å; A433-A480 WeakPolarHBondContact O-CB 3.42Å; A433-A480 PolarHBondContact O-N 2.75Å; V435-A480 HydrophobicContact CG2-CB 4.49Å; A480-I507 HydrophobicContact CB-CD1 3.88Å; A480-I507 HydrophobicContact CB-CG1 4.35Å
481	Q	92.3	Very high	93.7	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.313	25%	0.249	S	C	.	.			trans	-115.3	154.4	-179.7	-62.2	-67.4	-78.6	0	0	110.1	Y479 Q483 D484 I507	Y479-Q481 WeakPolarHBondContact O-CG 3.23Å; Y479-Q481 PolarHBondContact O-N 2.89Å; Y479-Q481 PolarHBondContact O-NE2 2.97Å; Q481-Q483 HydrophobicContact CB-CG 3.76Å; Q481-Q483 PolarHBondContact O-N 2.9Å; Q481-D484 PolarHBondContact N-OD2 2.97Å; Q481-D484 WeakPolarHBondContact O-CA 3.36Å; Q481-D484 VanDerWaalsContact O-CB 3.3Å; Q481-D484 WeakPolarHBondContact O-CB 3.48Å; Q481-D484 PolarHBondContact O-N 2.01Å; Q481-I507 WeakPolarHBondContact O-CD1 3.45Å
482	I	89.9	Confident	94	Very high	93 Å²	93	41.7 Å²	41.7	48%	0.477	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-49.6	-37.5	178.4	-61.5	171.3	0	0	0	112.6	D484 N485	I482-D484 PolarHBondContact O-N 2.74Å; I482-N485 WeakPolarHBondContact O-CB 3.38Å; I482-N485 PolarHBondContact O-N 3.43Å
483	Q	90.4	Very high	94.2	Very high	129 Å²	129	39.5 Å²	39.5	60%	0.603	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-63.3	-22.8	177.2	64.6	-174.6	-8.7	0	0	114.7	Q455 Q481 N485	Q455-Q483 PolarHBondContact NE2-O 2.85Å; Q481-Q483 HydrophobicContact CB-CG 3.76Å; Q481-Q483 PolarHBondContact O-N 2.9Å; Q483-N485 VanDerWaalsContact C-N 3.28Å
484	D	92.6	Very high	94.4	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-81.6	-8.2	-180	-57.6	-34.8	0	0	0	111.8	R466 Q481 I482 G486 Y488 I507	R466-D484 IonicContact CZ-OD2 3.59Å; R466-D484 IonicContact NH1-OD1 3.78Å; R466-D484 IonicContact NH1-OD2 2.76Å; R466-D484 PolarHBondContact NH1-OD2 2.9Å; R466-D484 IonicContact NH2-OD1 3.26Å; R466-D484 PolarHBondContact NH2-OD1 3.49Å; R466-D484 IonicContact NH2-OD2 3.48Å; R466-D484 PolarHBondContact NH2-OD2 3.02Å; Q481-D484 PolarHBondContact N-OD2 2.97Å; Q481-D484 WeakPolarHBondContact O-CA 3.36Å; Q481-D484 VanDerWaalsContact O-CB 3.3Å; Q481-D484 WeakPolarHBondContact O-CB 3.48Å; Q481-D484 PolarHBondContact O-N 2.01Å; I482-D484 PolarHBondContact O-N 2.74Å; D484-G486 PolarHBondContact O-N 2.93Å; D484-Y488 WeakPolarHBondContact O-CE2 3.35Å; D484-Y488 PolarHBondContact O-OH 2.83Å; D484-Y488 VanDerWaalsContact O-OH 3.14Å; D484-I507 HydrophobicContact CB-CD1 3.96Å
485	N	94	Very high	94.3	Very high	68 Å²	68	42 Å²	42	36%	0.364	22%	0.216	S	C	.	.			trans	-61.1	133.8	176.9	-174.9	-4.8	0	0	0	111	I482 Q483 L505 I507	I482-N485 WeakPolarHBondContact O-CB 3.38Å; I482-N485 PolarHBondContact O-N 3.43Å; Q483-N485 VanDerWaalsContact C-N 3.28Å; N485-L505 PolarHBondContact OD1-O 2.8Å; N485-I507 HydrophobicContact CB-CD1 4.48Å
486	G	95	Very high	94.1	Very high	21 Å²	21	43.5 Å²	43.5	22%	0.216	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.5	-159.6	175.4	0	0	0	0	0	114	D484 L505	D484-G486 PolarHBondContact O-N 2.93Å; G486-L505 PolarHBondContact N-O 2.92Å; G486-L505 PolarHBondContact O-N 3.17Å
487	T	96	Very high	94	Very high	56 Å²	56	43.5 Å²	43.5	34%	0.344	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122	-177.3	-52.1	0	0	0	0	110.7	L502 A503 H504	T487-L502 HydrophobicContact CG2-CB 4.45Å; T487-L502 HydrophobicContact CG2-CD2 4.08Å; T487-A503 CarbonylContact C-O 3.49Å; T487-A503 WeakPolarHBondContact CA-O 3.36Å; T487-H504 VanDerWaalsContact CG2-CE1 3.48Å; T487-H504 WeakPolarHBondContact CG2-CE1 3.48Å; T487-H504 PolarHBondContact OG1-CE1 2.85Å; T487-H504 VanDerWaalsContact OG1-CE1 3.22Å; T487-H504 PolarHBondContact OG1-ND1 2.66Å
488	Y	96.1	Very high	94	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143	168.9	-69.5	-98	0	0	0	109.6	L452 P454 I459 L467 L475 D484 A503 L505	L452-Y488 WeakPolarHBondContact O-CA 3.37Å; P454-Y488 HydrophobicContact CG-CD2 4.1Å; P454-Y488 HydrophobicContact CG-CE2 3.81Å; I459-Y488 HydrophobicContact CD1-CE1 4.39Å; L467-Y488 HydrophobicContact CD2-CE1 4.12Å; L475-Y488 HydrophobicContact CD2-CD1 3.36Å; L475-Y488 HydrophobicContact CD2-CE1 3.82Å; L475-Y488 HydrophobicContact CD2-CG 3.9Å; D484-Y488 WeakPolarHBondContact O-CE2 3.35Å; D484-Y488 PolarHBondContact O-OH 2.83Å; D484-Y488 VanDerWaalsContact O-OH 3.14Å; Y488-A503 PolarHBondContact N-O 2.76Å; Y488-A503 PolarHBondContact O-N 2.9Å; Y488-L505 HydrophobicContact CD2-CB 4.21Å; Y488-L505 HydrophobicContact CE2-CB 3.93Å; Y488-L505 HydrophobicContact CE2-CD2 3.93Å
489	V	95.7	Very high	94.1	Very high	30 Å²	30	43.2 Å²	43.2	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.5	177.8	-171.7	0	0	0	0	108.8	W451 L452 I491 T500 S501 L502	W451-V489 CarbonylContact C-O 3.55Å; W451-V489 WeakPolarHBondContact CA-O 2.97Å; L452-V489 HydrophobicContact CB-CB 4.11Å; L452-V489 PolarHBondContact N-O 2.84Å; L452-V489 PolarHBondContact O-N 2.99Å; V489-I491 HydrophobicContact CG1-CG1 4.14Å; V489-T500 HydrophobicContact CG1-CG2 4.47Å; V489-S501 CarbonylContact C-O 3.57Å; V489-S501 WeakPolarHBondContact CA-O 3.23Å; V489-L502 HydrophobicContact CB-CD2 4.44Å; V489-L502 HydrophobicContact CG1-CD2 4.24Å; V489-L502 HydrophobicContact CG2-CD2 3.79Å
490	C	95.6	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135	166.2	-177	0	0	0	0	109	I419 C439 W451 T500 S501	I419-C490 HydrophobicContact CD1-CB 4.49Å; C439-C490 HydrophobicContact CB-CB 3.74Å; C439-C490 WeakPolarHBondContact CB-SG 3.33Å; C439-C490 WeakPolarHBondContact SG-CB 3.36Å; C439-C490 CovalentContact SG-SG 2.01Å; C439-C490 PolarHBondContact SG-SG 2.92Å; W451-C490 HydrophobicContact CD2-CB 3.96Å; W451-C490 HydrophobicContact CE3-CB 3.89Å; W451-C490 HydrophobicContact CH2-CB 3.69Å; W451-C490 HydrophobicContact CZ2-CB 3.75Å; W451-C490 HydrophobicContact CZ3-CB 3.75Å; C490-T500 CarbonylContact O-C 3.47Å; C490-T500 WeakPolarHBondContact O-CA 3.44Å; C490-T500 WeakPolarHBondContact O-CB 3.26Å; C490-S501 WeakPolarHBondContact CB-OG 3.36Å; C490-S501 PolarHBondContact N-O 2.71Å; C490-S501 PolarHBondContact O-N 2.84Å
491	I	95.9	Very high	94.3	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.128	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111.9	176.3	-53.7	169.5	0	0	0	106.9	M450 L452 F458 V489 T500	M450-I491 HydrophobicContact CG-CB 3.89Å; M450-I491 HydrophobicContact CG-CG2 4.35Å; M450-I491 PolarHBondContact N-O 3.42Å; M450-I491 PolarHBondContact O-N 3.43Å; L452-I491 HydrophobicContact CB-CD1 4.43Å; F458-I491 HydrophobicContact CE1-CD1 3.91Å; V489-I491 HydrophobicContact CG1-CG1 4.14Å; I491-T500 HydrophobicContact CB-CG2 4.37Å; I491-T500 HydrophobicContact CG1-CG2 3.98Å; I491-T500 HydrophobicContact CG2-CG2 4.25Å
492	A	96	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.4	166.7	0	0	0	0	0	108.4	S417 I419 A441 P447 I449 N498 D499	S417-A492 PolarHBondContact OG-O 3.15Å; I419-A492 HydrophobicContact CD1-CB 4.28Å; I419-A492 HydrophobicContact CG1-CB 3.81Å; A441-A492 HydrophobicContact CB-CB 3.44Å; A441-A492 VanDerWaalsContact CB-CB 3.44Å; P447-A492 HydrophobicContact CB-CB 4.35Å; I449-A492 HydrophobicContact CD1-CB 3.63Å; A492-N498 CarbonylContact O-C 3.48Å; A492-N498 WeakPolarHBondContact O-CA 3.33Å; A492-D499 PolarHBondContact N-O 3Å; A492-D499 PolarHBondContact O-N 2.91Å
493	S	95.1	Very high	94.7	Very high	34 Å²	34	37.5 Å²	37.5	24%	0.238	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.8	-174.2	-176.3	0	0	0	0	111.5	P447 V448 N498	P447-S493 CarbonylContact C-O 3.55Å; P447-S493 WeakPolarHBondContact CA-O 3.43Å; V448-S493 PolarHBondContact N-O 2.93Å; V448-S493 PolarHBondContact O-N 3.49Å; S493-N498 PolarHBondContact OG-OD1 3Å; S493-N498 VanDerWaalsContact OG-OD1 3.12Å
494	N	95.3	Very high	95	Very high	16 Å²	16	33.9 Å²	33.9	9%	0.086	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	178.1	166.6	75.3	-4	0	0	0	110.3	R415 S417 D444 P445 P447 G496 G497	R415-N494 PolarHBondContact O-ND2 2.02Å; S417-N494 PolarHBondContact N-OD1 3.02Å; S417-N494 VanDerWaalsContact N-OD1 3.13Å; D444-N494 PolarHBondContact N-ND2 3.02Å; P445-N494 HydrophobicContact CG-CB 4.39Å; P445-N494 WeakPolarHBondContact O-CB 3.29Å; P445-N494 PolarHBondContact O-ND2 3.43Å; P447-N494 HydrophobicContact CB-CB 4.28Å; N494-G496 PolarHBondContact O-N 3.16Å; N494-G496 VanDerWaalsContact O-N 3.12Å; N494-G496 WeakPolarHBondContact OD1-CA 3.49Å; N494-G496 PolarHBondContact OD1-N 3.3Å; N494-G497 PolarHBondContact N-O 2.95Å; N494-G497 PolarHBondContact O-N 2.89Å; N494-G497 PolarHBondContact OD1-N 2.88Å; N494-G497 PolarHBondContact OD1-O 3.3Å; N494-G497 VanDerWaalsContact OD1-O 3.06Å
495	A	93.9	Very high	95.1	Very high	52 Å²	52	33.7 Å²	33.7	43%	0.43	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.7	179.9	0	0	0	0	0	114.3	R369 P445 G497	R369-A495 HydrophobicContact CG-CB 3.31Å; P445-A495 HydrophobicContact CG-CB 4.43Å; A495-G497 VanDerWaalsContact C-N 3.34Å
496	G	91.8	Very high	95.2	Very high	31 Å²	31	33.3 Å²	33.3	32%	0.32	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.8	172.7	0	0	0	0	0	114.1	K416 N494	K416-G496 WeakPolarHBondContact CG-O 3.19Å; N494-G496 PolarHBondContact O-N 3.16Å; N494-G496 VanDerWaalsContact O-N 3.12Å; N494-G496 WeakPolarHBondContact OD1-CA 3.49Å; N494-G496 PolarHBondContact OD1-N 3.3Å
497	G	93.8	Very high	95.1	Very high	20 Å²	20	33 Å²	33	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.8	-174.7	176.8	0	0	0	0	0	113.4	S417 N494 A495	S417-G497 WeakPolarHBondContact CB-O 3.26Å; S417-G497 PolarHBondContact OG-O 3.18Å; N494-G497 PolarHBondContact N-O 2.95Å; N494-G497 PolarHBondContact O-N 2.89Å; N494-G497 PolarHBondContact OD1-N 2.88Å; N494-G497 PolarHBondContact OD1-O 3.3Å; N494-G497 VanDerWaalsContact OD1-O 3.06Å; A495-G497 VanDerWaalsContact C-N 3.34Å
498	N	95.1	Very high	94.8	Very high	84 Å²	84	35.1 Å²	35.1	45%	0.449	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	151.2	-167.4	-51.4	10	0	0	0	111.4	K416 S417 A492 S493	K416-N498 WeakPolarHBondContact CE-O 3.48Å; K416-N498 PolarHBondContact NZ-O 3.17Å; S417-N498 WeakPolarHBondContact OG-CA 3.42Å; A492-N498 CarbonylContact O-C 3.48Å; A492-N498 WeakPolarHBondContact O-CA 3.33Å; S493-N498 PolarHBondContact OG-OD1 3Å; S493-N498 VanDerWaalsContact OG-OD1 3.12Å
499	D	95.6	Very high	93.9	Very high	26 Å²	26	38.2 Å²	38.2	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.8	168.4	-162.6	22.6	0	0	0	109.1	S417 R418 I419 R422 A492	S417-D499 WeakPolarHBondContact O-CB 3.45Å; S417-D499 PolarHBondContact OG-N 3.22Å; R418-D499 WeakPolarHBondContact CA-OD2 3.42Å; I419-D499 HydrophobicContact CG1-CB 4.27Å; I419-D499 PolarHBondContact N-OD2 2.8Å; R422-D499 IonicContact CZ-OD2 3.56Å; R422-D499 IonicContact NH2-OD1 3.18Å; R422-D499 PolarHBondContact NH2-OD1 3.13Å; R422-D499 IonicContact NH2-OD2 2.89Å; R422-D499 PolarHBondContact NH2-OD2 2.85Å; A492-D499 PolarHBondContact N-O 3Å; A492-D499 PolarHBondContact O-N 2.91Å
500	T	95.1	Very high	92.6	Very high	85 Å²	85	46.3 Å²	46.3	52%	0.521	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.1	-174.5	59.8	0	0	0	0	112.3	V489 C490 I491	V489-T500 HydrophobicContact CG1-CG2 4.47Å; C490-T500 CarbonylContact O-C 3.47Å; C490-T500 WeakPolarHBondContact O-CA 3.44Å; C490-T500 WeakPolarHBondContact O-CB 3.26Å; I491-T500 HydrophobicContact CB-CG2 4.37Å; I491-T500 HydrophobicContact CG1-CG2 3.98Å; I491-T500 HydrophobicContact CG2-CG2 4.25Å
501	S	94.6	Very high	90.6	Very high	18 Å²	18	50.6 Å²	50.6	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153	173.8	68.8	0	0	0	0	110.9	V489 C490	V489-S501 CarbonylContact C-O 3.57Å; V489-S501 WeakPolarHBondContact CA-O 3.23Å; C490-S501 WeakPolarHBondContact CB-OG 3.36Å; C490-S501 PolarHBondContact N-O 2.71Å; C490-S501 PolarHBondContact O-N 2.84Å
502	L	94.9	Very high	88.4	Confident	89 Å²	89	54 Å²	54	47%	0.466	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.7	-175.7	-60.1	177.7	0	0	0	110.9	T487 V489	T487-L502 HydrophobicContact CG2-CB 4.45Å; T487-L502 HydrophobicContact CG2-CD2 4.08Å; V489-L502 HydrophobicContact CB-CD2 4.44Å; V489-L502 HydrophobicContact CG1-CD2 4.24Å; V489-L502 HydrophobicContact CG2-CD2 3.79Å
503	A	95.6	Very high	85.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.8	171.4	0	0	0	0	0	110.5	Q425 F437 W451 T487 Y488	Q425-A503 HydrophobicContact CB-CB 4.19Å; Q425-A503 CarbonylContact O-C 3.57Å; Q425-A503 VanDerWaalsContact O-CA 3.27Å; Q425-A503 WeakPolarHBondContact O-CA 3.16Å; F437-A503 HydrophobicContact CB-CB 4.24Å; F437-A503 HydrophobicContact CD1-CB 3.58Å; F437-A503 HydrophobicContact CD2-CB 4.32Å; F437-A503 HydrophobicContact CE1-CB 3.87Å; F437-A503 HydrophobicContact CG-CB 3.8Å; F437-A503 HydrophobicContact CZ-CB 4.36Å; W451-A503 HydrophobicContact CH2-CB 4.18Å; W451-A503 HydrophobicContact CZ3-CB 3.85Å; T487-A503 CarbonylContact C-O 3.49Å; T487-A503 WeakPolarHBondContact CA-O 3.36Å; Y488-A503 PolarHBondContact N-O 2.76Å; Y488-A503 PolarHBondContact O-N 2.9Å
504	H	96.8	Very high	83.2	Confident	53 Å²	53	70.7 Å²	70.7	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.6	-177.9	-62.1	-71.1	0	0	0	110.4	Q425 Q426 K427 T487	Q425-H504 PolarHBondContact O-N 3.34Å; Q426-H504 CarbonylContact C-O 3.6Å; Q426-H504 WeakPolarHBondContact CA-O 3.38Å; Q426-H504 HydrophobicContact CB-CB 4.36Å; Q426-H504 HydrophobicContact CG-CB 4.02Å; K427-H504 PolarHBondContact N-O 3.36Å; T487-H504 VanDerWaalsContact CG2-CE1 3.48Å; T487-H504 WeakPolarHBondContact CG2-CE1 3.48Å; T487-H504 PolarHBondContact OG1-CE1 2.85Å; T487-H504 VanDerWaalsContact OG1-CE1 3.22Å; T487-H504 PolarHBondContact OG1-ND1 2.66Å
505	L	95.9	Very high	80.8	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.3	176.1	178.9	57.3	0	0	0	109.5	K427 V429 V435 F437 V477 N485 G486 Y488 I507	K427-L505 HydrophobicContact CB-CD1 4.49Å; V429-L505 HydrophobicContact CG2-CD1 3.78Å; V435-L505 HydrophobicContact CB-CD1 4.49Å; V435-L505 HydrophobicContact CG1-CD1 4.1Å; V435-L505 HydrophobicContact CG2-CD1 4.02Å; F437-L505 HydrophobicContact CE2-CB 4.04Å; F437-L505 HydrophobicContact CE2-CD1 4.48Å; F437-L505 HydrophobicContact CZ-CB 3.94Å; F437-L505 HydrophobicContact CZ-CD1 4.31Å; V477-L505 HydrophobicContact CG1-CD2 4.48Å; N485-L505 PolarHBondContact OD1-O 2.8Å; G486-L505 PolarHBondContact N-O 2.92Å; G486-L505 PolarHBondContact O-N 3.17Å; Y488-L505 HydrophobicContact CD2-CB 4.21Å; Y488-L505 HydrophobicContact CE2-CB 3.93Å; Y488-L505 HydrophobicContact CE2-CD2 3.93Å; L505-I507 HydrophobicContact CD1-CG1 4.32Å; L505-I507 HydrophobicContact CD2-CD1 4.04Å; L505-I507 HydrophobicContact CD2-CG1 4.34Å; L505-I507 HydrophobicContact CG-CD1 4.22Å; L505-I507 HydrophobicContact CG-CG1 4.02Å
506	H	95	Very high	78.3	Confident	59 Å²	59	80.6 Å²	80.6	27%	0.273	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.2	172	-63	-77.2	0	0	0	109.5	Q426 K427 F428 V429	Q426-H506 PolarHBondContact NE2-CD2 2.83Å; Q426-H506 PolarHBondContact NE2-NE2 2.83Å; K427-H506 PolarHBondContact O-N 3.09Å; F428-H506 WeakPolarHBondContact CA-O 3.32Å; F428-H506 HydrophobicContact CD1-CB 3.44Å; F428-H506 VanDerWaalsContact CD1-CB 3.44Å; F428-H506 AromaticContact CD1-CD2 3.95Å; F428-H506 AromaticContact CD1-CG 3.86Å; F428-H506 HydrophobicContact CE1-CB 3.74Å; F428-H506 AromaticContact CE1-CD2 3.45Å; F428-H506 VanDerWaalsContact CE1-CD2 3.45Å; F428-H506 WeakPolarHBondContact CE1-CD2 3.27Å; F428-H506 AromaticContact CE1-CG 3.61Å; F428-H506 HydrophobicContact CG-CB 4.18Å; F428-H506 AromaticContact CZ-CD2 3.66Å; V429-H506 PolarHBondContact N-O 3.2Å
507	I	93.1	Very high	75.9	Confident	15 Å²	15	88.3 Å²	88.3	8%	0.077	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.3	-177.7	-60.9	169.3	0	0	0	108.7	V429 E431 A480 Q481 D484 N485 L505	V429-I507 HydrophobicContact CG2-CG1 4.05Å; V429-I507 CarbonylContact O-C 3.52Å; V429-I507 VanDerWaalsContact O-CA 3.25Å; V429-I507 WeakPolarHBondContact O-CA 3.33Å; E431-I507 HydrophobicContact CB-CG2 4.29Å; A480-I507 HydrophobicContact CB-CD1 3.88Å; A480-I507 HydrophobicContact CB-CG1 4.35Å; Q481-I507 WeakPolarHBondContact O-CD1 3.45Å; D484-I507 HydrophobicContact CB-CD1 3.96Å; N485-I507 HydrophobicContact CB-CD1 4.48Å; L505-I507 HydrophobicContact CD1-CG1 4.32Å; L505-I507 HydrophobicContact CD2-CD1 4.04Å; L505-I507 HydrophobicContact CD2-CG1 4.34Å; L505-I507 HydrophobicContact CG-CD1 4.22Å; L505-I507 HydrophobicContact CG-CG1 4.02Å
508	H	89.6	Confident	73.4	Confident	100 Å²	100	93.1 Å²	93.1	46%	0.463	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.4	174.3	-63.5	171.7	0	0	0	109.3	F428 V429 E431	F428-H508 AromaticContact CD1-NE2 3.83Å; V429-H508 PolarHBondContact O-N 2.82Å; E431-H508 PolarHBondContact N-O 2.92Å; E431-H508 VanDerWaalsContact N-O 3.11Å
509	S	78.2	Confident	70.6	Confident	66 Å²	66	96.3 Å²	96.3	46%	0.462	50%	0.498	S	S	.	.			trans	-94.3	127.5	169.8	63.6	0	0	0	0	109.3	S511	S509-S511 PolarHBondContact O-N 3.48Å; S509-S511 VanDerWaalsContact O-N 3.16Å
510	Y	67	Low	68.1	Low	199 Å²	199	102.2 Å²	102.2	78%	0.78	53%	0.529	S	S	*	.			trans	-75.7	100.2	165	-88.4	-87.6	0	0	0	109
511	S	53.7	Low	65.2	Low	91 Å²	91	103.9 Å²	103.9	64%	0.636	55%	0.545	S	S	*	.			trans	-89.2	121.3	155.5	-163.7	0	0	0	0	107	S509 D513	S509-S511 PolarHBondContact O-N 3.48Å; S509-S511 VanDerWaalsContact O-N 3.16Å; S511-D513 PolarHBondContact O-N 2.74Å
512	P	49.9	Very low	62.7	Low	96 Å²	96	111.8 Å²	111.8	62%	0.623	58%	0.584	S	S	*	*			trans	-69.3	104.7	172.2	-7.1	21.5	0	0	0	108.5	W514	P512-W514 HydrophobicContact CB-CE3 4.48Å; P512-W514 PolarHBondContact O-N 3.04Å; P512-W514 VanDerWaalsContact O-N 3.08Å
513	D	43	Very low	59.6	Low	152 Å²	152	111.3 Å²	111.3	81%	0.813	59%	0.593	S	S	*	*			trans	-63	106.3	163	-84.3	-31.8	0	0	0	108	S511 P515	S511-D513 PolarHBondContact O-N 2.74Å; D513-P515 VanDerWaalsContact O-CD 3.28Å; D513-P515 WeakPolarHBondContact O-CD 3.5Å
514	W	38.6	Very low	56.6	Low	232 Å²	232	121.4 Å²	121.4	88%	0.879	64%	0.637	S	S	*	*			trans	-76.4	114.5	166.9	-112.4	-79.2	0	0	0	108.6	P512	P512-W514 HydrophobicContact CB-CE3 4.48Å; P512-W514 PolarHBondContact O-N 3.04Å; P512-W514 VanDerWaalsContact O-N 3.08Å
515	P	45.2	Very low	53.6	Low	93 Å²	93	125.9 Å²	125.9	60%	0.604	66%	0.662	S	S	*	*			trans	-80.5	135.1	171.5	3.1	16.5	0	0	0	108.8	D513	D513-P515 VanDerWaalsContact O-CD 3.28Å; D513-P515 WeakPolarHBondContact O-CD 3.5Å
516	H	42.1	Very low	50.5	Low	183 Å²	183	131.5 Å²	131.5	85%	0.847	70%	0.701	S	S	*	*			trans	85.8	98.3	171.5	-45.5	-65.1	0	0	0	117.3
517	Q	41	Very low	47.5	Very low	194 Å²	194	135.1 Å²	135.1	91%	0.907	72%	0.723	S	S	*	*			trans	-104.4	124.3	142.7	-83.2	-175.2	-22.2	0	0	108.8
518	P	41.9	Very low	44.6	Very low	120 Å²	120	143.4 Å²	143.4	78%	0.779	76%	0.761	S	S	*	*			trans	-83.8	145.8	156.1	31.6	-25.7	0	0	0	110.4
519	N	36.7	Very low	41.9	Very low	151 Å²	151	144 Å²	144	81%	0.807	77%	0.774	S	S	*	*			trans	-58.1	151.6	179.9	-74.4	-31.6	0	0	0	114.2
520	N	41.5	Very low	39.7	Very low	151 Å²	151	147.2 Å²	147.2	81%	0.807	79%	0.791	S	S	*	*			trans	59.4	114.4	157.1	-70.8	-4.9	0	0	0	118.3
521	S	34.8	Very low	37.9	Very low	120 Å²	120	147.2 Å²	147.2	84%	0.839	80%	0.798	S	S	*	*				171	112.9	113.3	-68.2	0	0	0	0	110.7
522	L	41.2	Very low	36.8	Very low	183 Å²	183	148.6 Å²	148.6	96%	0.958	80%	0.802	S	S	*	*			trans	-60	126	158.3	-89.3	145.4	0	0	0	110
523	A	31.5	Very low	36	Very low	80 Å²	80	155.3 Å²	155.3	66%	0.661	82%	0.816	S	S	*	*			trans	-162.4	84.4	151.9	0	0	0	0	0	111.5
524	F	30.8	Very low	35.4	Very low	211 Å²	211	152.9 Å²	152.9	93%	0.925	82%	0.817	S	S	*	*			trans	-142.1	90.7	135	-124.3	-84.5	0	0	0	108.1
525	I	34.1	Very low	35.3	Very low	148 Å²	148	150.2 Å²	150.2	76%	0.759	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.2	117.9	171.1	-66.7	168.2	0	0	0	106.7
526	S	32	Very low	34.7	Very low	117 Å²	117	149 Å²	149	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-101.9	120.8	152.4	-176.6	0	0	0	0	107.4
527	N	30.7	Very low	34.5	Very low	136 Å²	136	146.8 Å²	146.8	73%	0.727	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-47.6	131.7	172.5	-68.1	-35.7	0	0	0	111.9
528	Q	32.3	Very low	34.3	Very low	188 Å²	188	146.5 Å²	146.5	88%	0.879	82%	0.819	S	S	*	*				172.6	158.8	117.9	-96.6	-173.1	-17.7	0	0	112.8
529	P	32.9	Very low	34.2	Very low	114 Å²	114	146.9 Å²	146.9	74%	0.74	82%	0.822	S	S	*	*			trans	-89.5	159	-143.3	34.2	-35.6	0	0	0	115.4
530	T	32.3	Very low	34	Very low	133 Å²	133	147.2 Å²	147.2	82%	0.816	82%	0.824	S	S	*	*			trans	-49.9	132.2	169.6	43.7	0	0	0	0	114.9
531	E	29.6	Very low	34.1	Very low	198 Å²	198	145.8 Å²	145.8	93%	0.925	82%	0.82	S	S	*	*			trans	-139	155	140.4	-86.2	-157.6	165.4	0	0	111.8
532	T	30.9	Very low	34.4	Very low	120 Å²	120	145.9 Å²	145.9	74%	0.736	82%	0.818	S	S	*	*			trans	-92.2	155.6	-148.9	39.3	0	0	0	0	116.2
533	R	32.3	Very low	34.3	Very low	238 Å²	238	145.8 Å²	145.8	90%	0.898	81%	0.81	S	S	*	*			trans	48.8	119.3	144.9	-69.7	178.2	-179.3	168.8	0.9	118.6
534	A	31.5	Very low	35.1	Very low	101 Å²	101	146.7 Å²	146.7	84%	0.835	81%	0.809	S	S	*	*				173.2	154.1	109.8	0	0	0	0	0	112.5
535	N	35.2	Very low	35.8	Very low	175 Å²	175	143.8 Å²	143.8	94%	0.936	80%	0.796	S	S	*	*			trans	-56.7	144.6	-176.3	-65.9	-33.5	0	0	0	115.7
536	G	32.3	Very low	37.1	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	79%	0.786	S	S	*	*			trans	161.7	100.6	161.3	0	0	0	0	0	116.4
537	T	39.1	Very low	38.6	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	78%	0.777	S	S	*	*			trans	35.6	136.7	146.7	52.4	0	0	0	0	124.7
538	K	36.8	Very low	40	Very low	188 Å²	188	142.8 Å²	142.8	82%	0.817	77%	0.774	S	S	*	*			trans	102.4	126	157.9	-64.1	-179.4	178.1	177.4	0	117.3	N540	K538-N540 PolarHBondContact O-N 3.02Å
539	P	38.5	Very low	41.2	Very low	128 Å²	128	137.7 Å²	137.7	83%	0.831	76%	0.757	S	S	*	*			trans	-84.8	109.8	162.8	32.2	-25.4	0	0	0	109.6
540	N	33.4	Very low	42.4	Very low	159 Å²	159	137.2 Å²	137.2	85%	0.85	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-72.7	128.6	163.4	-102.7	-10.9	0	0	0	109.1	K538	K538-N540 PolarHBondContact O-N 3.02Å
541	V	44.3	Very low	43.9	Very low	120 Å²	120	135.4 Å²	135.4	73%	0.727	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-76.3	134.9	167.5	-179.4	0	0	0	0	108.2	F543	V541-F543 PolarHBondContact O-N 3.48Å
542	P	41.1	Very low	45.7	Very low	122 Å²	122	130.7 Å²	130.7	79%	0.792	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-75.1	118.6	-179.9	30	-31.8	0	0	0	110.2
543	F	39.1	Very low	47.2	Very low	181 Å²	181	127.9 Å²	127.9	79%	0.794	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-77.5	143.7	169.1	-96	-90.6	0	0	0	110.5	V541 F545	V541-F543 PolarHBondContact O-N 3.48Å; F543-F545 PolarHBondContact O-N 3.45Å
544	P	47.7	Very low	48.8	Very low	99 Å²	99	120.4 Å²	120.4	64%	0.643	68%	0.681	S	S	*	*			trans	-98.1	65.5	-171.6	39	-33.1	0	0	0	111.1
545	F	45.9	Very low	50.6	Low	151 Å²	151	118.9 Å²	118.9	66%	0.662	66%	0.662	S	S	*	*			trans	-143.6	122.7	168	-66.6	-71.9	0	0	0	110.7	F543 I547	F543-F545 PolarHBondContact O-N 3.45Å; F545-I547 PolarHBondContact O-N 3.29Å
546	D	61.5	Low	52.1	Low	102 Å²	102	116.8 Å²	116.8	55%	0.545	65%	0.648	S	S	.	*			trans	-57.5	122.5	171.1	-179.6	1	0	0	0	108.9	K548 T549 L550	D546-K548 PolarHBondContact O-N 3.02Å; D546-K548 VanDerWaalsContact O-N 3.1Å; D546-K548 PolarHBondContact OD1-N 2.96Å; D546-T549 WeakPolarHBondContact O-CA 3.33Å; D546-T549 WeakPolarHBondContact O-CB 3.27Å; D546-T549 PolarHBondContact O-N 3.31Å; D546-T549 PolarHBondContact O-OG1 3.02Å; D546-L550 PolarHBondContact O-N 2.77Å; D546-L550 VanDerWaalsContact O-N 3.16Å
547	I	63.8	Low	53.8	Low	123 Å²	123	115.4 Å²	115.4	63%	0.631	63%	0.633	S	S	*	*	H	α-helix	trans	-56.1	-29	-177.1	-80.4	166.7	0	0	0	111.1	F545 T549 L550 I551	F545-I547 PolarHBondContact O-N 3.29Å; I547-T549 VanDerWaalsContact C-N 3.35Å; I547-L550 PolarHBondContact O-N 2.75Å; I547-I551 HydrophobicContact CG2-CD1 3.71Å; I547-I551 HydrophobicContact CG2-CG1 4.39Å; I547-I551 VanDerWaalsContact O-CG1 3.26Å; I547-I551 WeakPolarHBondContact O-CG1 3.35Å; I547-I551 PolarHBondContact O-N 3.42Å
548	K	59.2	Low	55.3	Low	154 Å²	154	115.5 Å²	115.5	67%	0.67	62%	0.623	S	S	*	*	H	α-helix	trans	-64.9	-39	174.1	-68.3	-176.6	178.8	179.8	0	111.8	D546 I552	D546-K548 PolarHBondContact O-N 3.02Å; D546-K548 VanDerWaalsContact O-N 3.1Å; D546-K548 PolarHBondContact OD1-N 2.96Å; K548-I552 WeakPolarHBondContact O-CD1 3.43Å; K548-I552 WeakPolarHBondContact O-CG1 3.44Å; K548-I552 PolarHBondContact O-N 3.28Å; K548-I552 VanDerWaalsContact O-N 3.13Å
549	T	58.5	Low	57.1	Low	82 Å²	82	112.5 Å²	112.5	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-71.9	-35.8	178	-35.3	0	0	0	0	111.8	D546 I547 I552 A553	D546-T549 WeakPolarHBondContact O-CA 3.33Å; D546-T549 WeakPolarHBondContact O-CB 3.27Å; D546-T549 PolarHBondContact O-N 3.31Å; D546-T549 PolarHBondContact O-OG1 3.02Å; I547-T549 VanDerWaalsContact C-N 3.35Å; T549-I552 PolarHBondContact O-N 2.86Å; T549-A553 WeakPolarHBondContact O-CB 3.3Å; T549-A553 PolarHBondContact O-N 3.3Å
550	L	56.9	Low	58.8	Low	103 Å²	103	109.8 Å²	109.8	54%	0.539	60%	0.598	S	S	.	*	H	α-helix	trans	-69.5	-39	177	-170.4	68	0	0	0	112.1	D546 I547 A553 T554	D546-L550 PolarHBondContact O-N 2.77Å; D546-L550 VanDerWaalsContact O-N 3.16Å; I547-L550 PolarHBondContact O-N 2.75Å; L550-A553 PolarHBondContact O-N 3.1Å; L550-T554 WeakPolarHBondContact O-CB 3.39Å; L550-T554 WeakPolarHBondContact O-CG2 3.28Å; L550-T554 PolarHBondContact O-N 2.88Å; L550-T554 PolarHBondContact O-OG1 2.92Å
551	I	65.3	Low	60.8	Low	96 Å²	96	108.8 Å²	108.8	49%	0.492	59%	0.586	S	S	.	*	H	α-helix	trans	-67	-39.1	175.3	-67.5	168.2	0	0	0	110.7	I547 T554 T555	I547-I551 HydrophobicContact CG2-CD1 3.71Å; I547-I551 HydrophobicContact CG2-CG1 4.39Å; I547-I551 VanDerWaalsContact O-CG1 3.26Å; I547-I551 WeakPolarHBondContact O-CG1 3.35Å; I547-I551 PolarHBondContact O-N 3.42Å; I551-T554 WeakPolarHBondContact CA-OG1 3.45Å; I551-T554 PolarHBondContact O-OG1 3.14Å; I551-T555 HydrophobicContact CG2-CG2 4.39Å; I551-T555 WeakPolarHBondContact O-CB 3.45Å; I551-T555 WeakPolarHBondContact O-CG2 3.35Å; I551-T555 PolarHBondContact O-N 3.33Å; I551-T555 PolarHBondContact O-OG1 2.88Å
552	I	67.2	Low	62.5	Low	99 Å²	99	107.2 Å²	107.2	51%	0.508	57%	0.573	S	S	.	*	H	α-helix	trans	-67.7	-44	176.1	-66.4	164.7	0	0	0	110.9	K548 T549 T554 T555 M556	K548-I552 WeakPolarHBondContact O-CD1 3.43Å; K548-I552 WeakPolarHBondContact O-CG1 3.44Å; K548-I552 PolarHBondContact O-N 3.28Å; K548-I552 VanDerWaalsContact O-N 3.13Å; T549-I552 PolarHBondContact O-N 2.86Å; I552-T554 PolarHBondContact O-N 3.32Å; I552-T555 WeakPolarHBondContact CA-OG1 3.48Å; I552-T555 PolarHBondContact O-N 2.98Å; I552-T555 PolarHBondContact O-OG1 2.76Å; I552-T555 VanDerWaalsContact O-OG1 3.06Å; I552-M556 HydrophobicContact CG2-CG 4.4Å; I552-M556 HydrophobicContact CG2-SD 3.87Å; I552-M556 WeakPolarHBondContact O-CB 3.3Å; I552-M556 VanDerWaalsContact O-CG 3.28Å; I552-M556 WeakPolarHBondContact O-CG 3.37Å; I552-M556 PolarHBondContact O-N 3.48Å
553	A	61.5	Low	64.5	Low	60 Å²	60	103.4 Å²	103.4	50%	0.496	56%	0.557	S	S	.	*	H	α-helix	trans	-65.7	-40.1	179	0	0	0	0	0	112.7	T549 L550 G557	T549-A553 WeakPolarHBondContact O-CB 3.3Å; T549-A553 PolarHBondContact O-N 3.3Å; L550-A553 PolarHBondContact O-N 3.1Å; A553-G557 PolarHBondContact O-N 2.76Å
554	T	66.4	Low	66.7	Low	82 Å²	82	99.2 Å²	99.2	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-71.4	-38.1	178.2	48.2	0	0	0	0	112.3	L550 I551 I552 F558	L550-T554 WeakPolarHBondContact O-CB 3.39Å; L550-T554 WeakPolarHBondContact O-CG2 3.28Å; L550-T554 PolarHBondContact O-N 2.88Å; L550-T554 PolarHBondContact O-OG1 2.92Å; I551-T554 WeakPolarHBondContact CA-OG1 3.45Å; I551-T554 PolarHBondContact O-OG1 3.14Å; I552-T554 PolarHBondContact O-N 3.32Å; T554-F558 VanDerWaalsContact O-CB 3.3Å; T554-F558 WeakPolarHBondContact O-CB 3.31Å; T554-F558 PolarHBondContact O-N 3.26Å
555	T	68.1	Low	68.4	Low	68 Å²	68	97.3 Å²	97.3	42%	0.417	53%	0.532	S	S	.	.	H	α-helix	trans	-70.1	-39.8	176.6	51.3	0	0	0	0	112.7	I551 I552 F558 I559	I551-T555 HydrophobicContact CG2-CG2 4.39Å; I551-T555 WeakPolarHBondContact O-CB 3.45Å; I551-T555 WeakPolarHBondContact O-CG2 3.35Å; I551-T555 PolarHBondContact O-N 3.33Å; I551-T555 PolarHBondContact O-OG1 2.88Å; I552-T555 WeakPolarHBondContact CA-OG1 3.48Å; I552-T555 PolarHBondContact O-N 2.98Å; I552-T555 PolarHBondContact O-OG1 2.76Å; I552-T555 VanDerWaalsContact O-OG1 3.06Å; T555-F558 PolarHBondContact O-N 3.35Å; T555-I559 VanDerWaalsContact O-CG1 3.31Å; T555-I559 WeakPolarHBondContact O-CG1 3.42Å; T555-I559 PolarHBondContact O-N 3.42Å; T555-I559 VanDerWaalsContact O-N 3.16Å
556	M	67.6	Low	70.2	Confident	132 Å²	132	95.4 Å²	95.4	65%	0.65	53%	0.528	S	S	*	.	H	α-helix	trans	-67.8	-37.1	175.2	-68.9	-177.3	83.3	0	0	112.5	I552 S560	I552-M556 HydrophobicContact CG2-CG 4.4Å; I552-M556 HydrophobicContact CG2-SD 3.87Å; I552-M556 WeakPolarHBondContact O-CB 3.3Å; I552-M556 VanDerWaalsContact O-CG 3.28Å; I552-M556 WeakPolarHBondContact O-CG 3.37Å; I552-M556 PolarHBondContact O-N 3.48Å; M556-S560 WeakPolarHBondContact O-CB 3.48Å; M556-S560 PolarHBondContact O-N 3.2Å; M556-S560 PolarHBondContact O-OG 3.41Å
557	G	68.6	Low	71.3	Confident	38 Å²	38	96.9 Å²	96.9	39%	0.392	53%	0.53	S	S	.	.	H	α-helix	trans	-68.7	-37.3	174.7	0	0	0	0	0	113.4	A553 S560 F561	A553-G557 PolarHBondContact O-N 2.76Å; G557-S560 WeakPolarHBondContact CA-OG 3.45Å; G557-S560 PolarHBondContact O-OG 2.82Å; G557-S560 VanDerWaalsContact O-OG 3.04Å; G557-F561 VanDerWaalsContact O-CB 3.27Å; G557-F561 WeakPolarHBondContact O-CB 3.19Å; G557-F561 PolarHBondContact O-N 3.05Å
558	F	70.5	Confident	72	Confident	139 Å²	139	94 Å²	94	61%	0.61	52%	0.521	S	S	*	.	H	α-helix	trans	-73.2	-38.8	-178.2	-153.3	-101.4	0	0	0	112.4	T554 T555 F561 L562	T554-F558 VanDerWaalsContact O-CB 3.3Å; T554-F558 WeakPolarHBondContact O-CB 3.31Å; T554-F558 PolarHBondContact O-N 3.26Å; T555-F558 PolarHBondContact O-N 3.35Å; F558-F561 PolarHBondContact O-N 2.99Å; F558-L562 HydrophobicContact CD1-CD1 3.55Å; F558-L562 HydrophobicContact CE1-CD1 3.35Å; F558-L562 HydrophobicContact CZ-CD1 4.25Å; F558-L562 WeakPolarHBondContact O-CB 3.37Å; F558-L562 PolarHBondContact O-N 3.16Å
559	I	73.7	Confident	73.1	Confident	125 Å²	125	91.6 Å²	91.6	64%	0.641	51%	0.514	S	S	*	.	H	α-helix	trans	-68.8	-40.7	177.9	-66.7	167.8	0	0	0	111.1	T555 G563	T555-I559 VanDerWaalsContact O-CG1 3.31Å; T555-I559 WeakPolarHBondContact O-CG1 3.42Å; T555-I559 PolarHBondContact O-N 3.42Å; T555-I559 VanDerWaalsContact O-N 3.16Å; I559-G563 PolarHBondContact O-N 3.44Å
560	S	74.9	Confident	74.2	Confident	71 Å²	71	91.3 Å²	91.3	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-67.8	-39.1	176.2	48.7	0	0	0	0	112.1	M556 G557 G563 V564	M556-S560 WeakPolarHBondContact O-CB 3.48Å; M556-S560 PolarHBondContact O-N 3.2Å; M556-S560 PolarHBondContact O-OG 3.41Å; G557-S560 WeakPolarHBondContact CA-OG 3.45Å; G557-S560 PolarHBondContact O-OG 2.82Å; G557-S560 VanDerWaalsContact O-OG 3.04Å; S560-G563 PolarHBondContact O-N 3.41Å; S560-V564 WeakPolarHBondContact O-CG2 2.92Å; S560-V564 PolarHBondContact O-N 3.22Å; S560-V564 VanDerWaalsContact O-N 3.16Å
561	F	75.6	Confident	75.3	Confident	137 Å²	137	90.6 Å²	90.6	60%	0.601	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-47	174.4	-179	-101.3	0	0	0	112.6	G557 F558 G563 V564 V565	G557-F561 VanDerWaalsContact O-CB 3.27Å; G557-F561 WeakPolarHBondContact O-CB 3.19Å; G557-F561 PolarHBondContact O-N 3.05Å; F558-F561 PolarHBondContact O-N 2.99Å; F561-G563 VanDerWaalsContact C-N 3.32Å; F561-G563 PolarHBondContact O-N 2.98Å; F561-V564 PolarHBondContact O-N 3Å; F561-V565 HydrophobicContact CD1-CG2 4.3Å; F561-V565 HydrophobicContact CE1-CG2 3.94Å; F561-V565 HydrophobicContact CE2-CG2 4.22Å; F561-V565 HydrophobicContact CZ-CG2 3.9Å; F561-V565 WeakPolarHBondContact O-CG2 3.48Å; F561-V565 PolarHBondContact O-N 3.44Å
562	L	79.4	Confident	75.9	Confident	87 Å²	87	90.8 Å²	90.8	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-38.4	177	-105.8	142.3	0	0	0	112.3	F558 V565 L566	F558-L562 HydrophobicContact CD1-CD1 3.55Å; F558-L562 HydrophobicContact CE1-CD1 3.35Å; F558-L562 HydrophobicContact CZ-CD1 4.25Å; F558-L562 WeakPolarHBondContact O-CB 3.37Å; F558-L562 PolarHBondContact O-N 3.16Å; L562-V565 PolarHBondContact O-N 2.94Å; L562-L566 WeakPolarHBondContact O-CB 3.25Å; L562-L566 PolarHBondContact O-N 2.93Å
563	G	83.3	Confident	76.3	Confident	43 Å²	43	91.9 Å²	91.9	44%	0.443	51%	0.511	S	S	.	.	H	α-helix	trans	-61	-44.5	175.7	0	0	0	0	0	112.9	I559 S560 F561 F567	I559-G563 PolarHBondContact O-N 3.44Å; S560-G563 PolarHBondContact O-N 3.41Å; F561-G563 VanDerWaalsContact C-N 3.32Å; F561-G563 PolarHBondContact O-N 2.98Å; G563-F567 VanDerWaalsContact O-CB 3.32Å; G563-F567 WeakPolarHBondContact O-CB 3.35Å; G563-F567 PolarHBondContact O-N 3.36Å
564	V	85.2	Confident	76.9	Confident	93 Å²	93	94.2 Å²	94.2	56%	0.564	52%	0.515	S	S	*	.	H	α-helix	trans	-68	-40.7	178.6	174.9	0	0	0	0	111.4	S560 F561 F567 C568	S560-V564 WeakPolarHBondContact O-CG2 2.92Å; S560-V564 PolarHBondContact O-N 3.22Å; S560-V564 VanDerWaalsContact O-N 3.16Å; F561-V564 PolarHBondContact O-N 3Å; V564-F567 PolarHBondContact O-N 2.86Å; V564-C568 WeakPolarHBondContact O-CB 3.47Å; V564-C568 PolarHBondContact O-N 2.7Å
565	V	84.1	Confident	76.7	Confident	59 Å²	59	98.9 Å²	98.9	36%	0.358	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-43.4	177.7	173.6	0	0	0	0	111.2	F561 L562 F567 C568 L569	F561-V565 HydrophobicContact CD1-CG2 4.3Å; F561-V565 HydrophobicContact CE1-CG2 3.94Å; F561-V565 HydrophobicContact CE2-CG2 4.22Å; F561-V565 HydrophobicContact CZ-CG2 3.9Å; F561-V565 WeakPolarHBondContact O-CG2 3.48Å; F561-V565 PolarHBondContact O-N 3.44Å; L562-V565 PolarHBondContact O-N 2.94Å; V565-F567 VanDerWaalsContact C-N 3.34Å; V565-F567 PolarHBondContact O-N 2.81Å; V565-C568 PolarHBondContact O-N 2.95Å; V565-L569 HydrophobicContact CG1-CD1 4.1Å; V565-L569 WeakPolarHBondContact O-CG 3.38Å; V565-L569 PolarHBondContact O-N 2.85Å
566	L	82.3	Confident	76.7	Confident	111 Å²	111	99.9 Å²	99.9	58%	0.581	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-41.4	177.6	-150	100.5	0	0	0	111.2	L562 L569 V570	L562-L566 WeakPolarHBondContact O-CB 3.25Å; L562-L566 PolarHBondContact O-N 2.93Å; L566-L569 PolarHBondContact O-N 3.27Å; L566-V570 WeakPolarHBondContact O-CG2 3.33Å; L566-V570 PolarHBondContact O-N 2.99Å
567	F	84.5	Confident	76.4	Confident	132 Å²	132	102.9 Å²	102.9	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-63.2	-43.7	175.9	-176.2	-103.1	0	0	0	112.3	G563 V564 V565 L569 V570 L571	G563-F567 VanDerWaalsContact O-CB 3.32Å; G563-F567 WeakPolarHBondContact O-CB 3.35Å; G563-F567 PolarHBondContact O-N 3.36Å; V564-F567 PolarHBondContact O-N 2.86Å; V565-F567 VanDerWaalsContact C-N 3.34Å; V565-F567 PolarHBondContact O-N 2.81Å; F567-L569 PolarHBondContact O-N 3Å; F567-V570 PolarHBondContact O-N 3.5Å; F567-L571 HydrophobicContact CD1-CD1 3.91Å; F567-L571 HydrophobicContact CE1-CD1 3.46Å; F567-L571 VanDerWaalsContact CE1-CD1 3.46Å; F567-L571 HydrophobicContact CE1-CG 4.23Å; F567-L571 HydrophobicContact CZ-CD1 3.98Å; F567-L571 HydrophobicContact CZ-CG 4.39Å; F567-L571 PolarHBondContact O-N 3.2Å
568	C	79	Confident	75.7	Confident	64 Å²	64	104 Å²	104	43%	0.432	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-40.2	173.9	-90.3	0	0	0	0	112.6	V564 V565 L571 L572	V564-C568 WeakPolarHBondContact O-CB 3.47Å; V564-C568 PolarHBondContact O-N 2.7Å; V565-C568 PolarHBondContact O-N 2.95Å; C568-L571 PolarHBondContact O-N 3.11Å; C568-L572 WeakPolarHBondContact O-CB 3.35Å; C568-L572 WeakPolarHBondContact O-CG 3.38Å; C568-L572 PolarHBondContact O-N 3.47Å
569	L	82.4	Confident	74.9	Confident	103 Å²	103	105.4 Å²	105.4	54%	0.539	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-38.2	176.8	-74.2	170.1	0	0	0	112.1	V565 L566 F567 L572 F573	V565-L569 HydrophobicContact CG1-CD1 4.1Å; V565-L569 WeakPolarHBondContact O-CG 3.38Å; V565-L569 PolarHBondContact O-N 2.85Å; L566-L569 PolarHBondContact O-N 3.27Å; F567-L569 PolarHBondContact O-N 3Å; L569-L572 PolarHBondContact O-N 3Å; L569-F573 VanDerWaalsContact O-CB 3.29Å; L569-F573 WeakPolarHBondContact O-CB 3.43Å; L569-F573 PolarHBondContact O-N 2.78Å
570	V	82.7	Confident	73.9	Confident	75 Å²	75	102.2 Å²	102.2	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-42.4	173.8	171.3	0	0	0	0	111	L566 F567 F573 L574	L566-V570 WeakPolarHBondContact O-CG2 3.33Å; L566-V570 PolarHBondContact O-N 2.99Å; F567-V570 PolarHBondContact O-N 3.5Å; V570-F573 PolarHBondContact O-N 3.18Å; V570-L574 HydrophobicContact CG1-CD1 3.95Å; V570-L574 HydrophobicContact CG1-CG 4.43Å; V570-L574 WeakPolarHBondContact O-CB 3.46Å; V570-L574 VanDerWaalsContact O-CG 3.3Å; V570-L574 WeakPolarHBondContact O-CG 3.33Å; V570-L574 PolarHBondContact O-N 3.49Å
571	L	78.8	Confident	72.8	Confident	88 Å²	88	106.2 Å²	106.2	46%	0.461	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-43.2	175.2	-74.7	176.3	0	0	0	112.3	F567 C568 F573 L574 W575	F567-L571 HydrophobicContact CD1-CD1 3.91Å; F567-L571 HydrophobicContact CE1-CD1 3.46Å; F567-L571 VanDerWaalsContact CE1-CD1 3.46Å; F567-L571 HydrophobicContact CE1-CG 4.23Å; F567-L571 HydrophobicContact CZ-CD1 3.98Å; F567-L571 HydrophobicContact CZ-CG 4.39Å; F567-L571 PolarHBondContact O-N 3.2Å; C568-L571 PolarHBondContact O-N 3.11Å; L571-F573 VanDerWaalsContact C-N 3.33Å; L571-F573 PolarHBondContact O-N 2.91Å; L571-L574 PolarHBondContact O-N 3.48Å; L571-W575 VanDerWaalsContact O-CB 3.23Å; L571-W575 WeakPolarHBondContact O-CB 3.28Å; L571-W575 PolarHBondContact O-N 3.46Å
572	L	77.3	Confident	71.4	Confident	101 Å²	101	104.9 Å²	104.9	53%	0.529	57%	0.571	S	S	.	*	H	α-helix	trans	-65.5	-36.1	175.9	-72.5	171.9	0	0	0	112.1	C568 L569 W575 S576	C568-L572 WeakPolarHBondContact O-CB 3.35Å; C568-L572 WeakPolarHBondContact O-CG 3.38Å; C568-L572 PolarHBondContact O-N 3.47Å; L569-L572 PolarHBondContact O-N 3Å; L572-W575 HydrophobicContact CD2-CE3 4.43Å; L572-W575 PolarHBondContact O-N 3.06Å; L572-S576 VanDerWaalsContact O-CB 3.25Å; L572-S576 WeakPolarHBondContact O-CB 3.21Å; L572-S576 PolarHBondContact O-N 3.13Å
573	F	76.7	Confident	69.7	Low	121 Å²	121	109.7 Å²	109.7	53%	0.531	59%	0.588	S	S	.	*	H	α-helix	trans	-68.4	-42.7	175.6	-176.4	-100.1	0	0	0	112.3	L569 V570 L571 W575 S576 R577	L569-F573 VanDerWaalsContact O-CB 3.29Å; L569-F573 WeakPolarHBondContact O-CB 3.43Å; L569-F573 PolarHBondContact O-N 2.78Å; V570-F573 PolarHBondContact O-N 3.18Å; L571-F573 VanDerWaalsContact C-N 3.33Å; L571-F573 PolarHBondContact O-N 2.91Å; F573-W575 VanDerWaalsContact C-N 3.33Å; F573-S576 PolarHBondContact O-N 2.71Å; F573-R577 PolarHBondContact O-N 2.69Å; F573-R577 VanDerWaalsContact O-N 3.13Å
574	L	74.3	Confident	67.8	Low	110 Å²	110	115.3 Å²	115.3	58%	0.576	60%	0.603	S	S	*	*	H	α-helix	trans	-64.9	-38.3	173.5	-71.7	170.9	0	0	0	111.5	V570 L571 R577 G578	V570-L574 HydrophobicContact CG1-CD1 3.95Å; V570-L574 HydrophobicContact CG1-CG 4.43Å; V570-L574 WeakPolarHBondContact O-CB 3.46Å; V570-L574 VanDerWaalsContact O-CG 3.3Å; V570-L574 WeakPolarHBondContact O-CG 3.33Å; V570-L574 PolarHBondContact O-N 3.49Å; L571-L574 PolarHBondContact O-N 3.48Å; L574-R577 PolarHBondContact O-N 2.95Å; L574-G578 PolarHBondContact O-N 3.16Å; L574-G578 VanDerWaalsContact O-N 3.13Å
575	W	62.7	Low	65.5	Low	179 Å²	179	117.1 Å²	117.1	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-70.9	-33.6	176.9	-161.6	53.4	0	0	0	112.7	L571 L572 F573 G578	L571-W575 VanDerWaalsContact O-CB 3.23Å; L571-W575 WeakPolarHBondContact O-CB 3.28Å; L571-W575 PolarHBondContact O-N 3.46Å; L572-W575 HydrophobicContact CD2-CE3 4.43Å; L572-W575 PolarHBondContact O-N 3.06Å; F573-W575 VanDerWaalsContact C-N 3.33Å; W575-G578 PolarHBondContact O-N 3.3Å
576	S	68	Low	63.5	Low	89 Å²	89	120.7 Å²	120.7	62%	0.622	63%	0.625	S	S	*	*	H	α-helix	trans	-64.9	-40.7	173.5	171	0	0	0	0	112.2	L572 F573 G578	L572-S576 VanDerWaalsContact O-CB 3.25Å; L572-S576 WeakPolarHBondContact O-CB 3.21Å; L572-S576 PolarHBondContact O-N 3.13Å; F573-S576 PolarHBondContact O-N 2.71Å; S576-G578 VanDerWaalsContact C-N 3.33Å
577	R	60.6	Low	61.3	Low	196 Å²	196	121.1 Å²	121.1	74%	0.74	62%	0.624	S	S	*	*	H	α-helix	trans	-75.8	-19.4	176.1	-68.7	-174.9	99.8	146.6	3.4	113.7	F573 L574	F573-R577 PolarHBondContact O-N 2.69Å; F573-R577 VanDerWaalsContact O-N 3.13Å; L574-R577 PolarHBondContact O-N 2.95Å
578	G	54.8	Low	59.4	Low	60 Å²	60	121.9 Å²	121.9	62%	0.619	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-8.4	177.8	0	0	0	0	0	115.4	L574 W575 S576 G580	L574-G578 PolarHBondContact O-N 3.16Å; L574-G578 VanDerWaalsContact O-N 3.13Å; W575-G578 PolarHBondContact O-N 3.3Å; S576-G578 VanDerWaalsContact C-N 3.33Å; G578-G580 PolarHBondContact O-N 3.44Å
579	K	52.4	Low	57.2	Low	170 Å²	170	126.8 Å²	126.8	74%	0.739	65%	0.649	S	S	*	*			trans	-101.6	43.7	-173.7	-146.2	175.8	-172.9	175.2	0	113.4
580	G	54	Low	55.2	Low	58 Å²	58	131.1 Å²	131.1	60%	0.598	66%	0.66	S	S	*	*	S	Bend	trans	-139.9	51.8	-179.2	0	0	0	0	0	113.4	G578	G578-G580 PolarHBondContact O-N 3.44Å
581	N	51.3	Low	53.1	Low	154 Å²	154	133.3 Å²	133.3	82%	0.824	67%	0.673	S	S	*	*			trans	154.5	83.1	150.8	-89.4	-26.5	0	0	0	110.7
582	T	46.5	Very low	51.1	Low	110 Å²	110	133.5 Å²	133.5	68%	0.675	68%	0.679	S	S	*	*			trans	-127.8	87.4	158.9	46	0	0	0	0	109.1	H584	T582-H584 PolarHBondContact O-N 3.42Å; T582-H584 PolarHBondContact O-ND1 3.16Å
583	K	42.2	Very low	49.1	Very low	188 Å²	188	140.4 Å²	140.4	82%	0.817	70%	0.698	S	S	*	*			trans	-59.9	117.6	159.8	-77.7	178.2	177.2	171.6	0	107	N585	K583-N585 PolarHBondContact O-N 2.86Å; K583-N585 VanDerWaalsContact O-N 3.08Å
584	H	44.2	Very low	47.1	Very low	160 Å²	160	144.7 Å²	144.7	74%	0.741	72%	0.717	S	S	*	*			trans	-75.8	95.2	177.9	-70.9	43	0	0	0	108.7	T582	T582-H584 PolarHBondContact O-N 3.42Å; T582-H584 PolarHBondContact O-ND1 3.16Å
585	N	36.8	Very low	45.3	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	73%	0.727	S	S	*	*			trans	-91.4	114.3	158.7	-83.5	2.3	0	0	0	106.9	K583	K583-N585 PolarHBondContact O-N 2.86Å; K583-N585 VanDerWaalsContact O-N 3.08Å
586	I	43.1	Very low	44.1	Very low	133 Å²	133	144.5 Å²	144.5	68%	0.682	74%	0.739	S	S	*	*			trans	-96.9	115.9	170.5	-62.4	173.6	0	0	0	106.6	I588	I586-I588 HydrophobicContact CG2-CD1 4.44Å; I586-I588 HydrophobicContact CG2-CG1 3.85Å
587	E	35.3	Very low	42.4	Very low	120 Å²	120	145.1 Å²	145.1	56%	0.561	75%	0.749	S	S	*	*			trans	-91.1	112.3	172.5	-136.2	173.6	-148.6	0	0	107.7	K609	E587-K609 WeakPolarHBondContact OE1-CD 3.26Å; E587-K609 WeakPolarHBondContact OE1-CE 3.28Å; E587-K609 IonicContact OE1-NZ 3.18Å; E587-K609 PolarHBondContact OE1-NZ 3.29Å; E587-K609 IonicContact OE2-NZ 3.63Å; E587-K609 PolarHBondContact OE2-NZ 3.33Å
588	I	44.2	Very low	41.2	Very low	148 Å²	148	139.7 Å²	139.7	76%	0.759	75%	0.754	S	S	*	*			trans	-100.5	115.1	175.9	-56.9	178.7	0	0	0	107.9	I586	I586-I588 HydrophobicContact CG2-CD1 4.44Å; I586-I588 HydrophobicContact CG2-CG1 3.85Å
589	E	32.4	Very low	40.1	Very low	167 Å²	167	145.4 Å²	145.4	78%	0.78	77%	0.766	S	S	*	*			trans	-88.1	111.8	174.1	-159	170.8	-151.8	0	0	109.1
590	Y	41.5	Very low	39.2	Very low	194 Å²	194	142.1 Å²	142.1	76%	0.761	77%	0.765	S	S	*	*			trans	-94.9	116.6	178.8	-174.5	-97.3	0	0	0	110	P592	Y590-P592 HydrophobicContact CD1-CB 4.39Å; Y590-P592 HydrophobicContact CE1-CB 3.9Å; Y590-P592 WeakPolarHBondContact O-CD 3.19Å
591	V	37.8	Very low	38.1	Very low	122 Å²	122	145 Å²	145	74%	0.739	78%	0.776	S	S	*	*			trans	-97.9	108.2	171	-177.2	0	0	0	0	108.5
592	P	36.6	Very low	37.5	Very low	91 Å²	91	144.1 Å²	144.1	59%	0.591	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.8	133.9	177.8	25.4	-30	0	0	0	110.7	Y590 K594	Y590-P592 HydrophobicContact CD1-CB 4.39Å; Y590-P592 HydrophobicContact CE1-CB 3.9Å; Y590-P592 WeakPolarHBondContact O-CD 3.19Å; P592-K594 PolarHBondContact O-N 3.1Å
593	R	34.8	Very low	36.8	Very low	246 Å²	246	144.9 Å²	144.9	93%	0.928	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.8	125.1	166.7	-81.7	-177.6	176.5	166.8	-0.9	109.4
594	K	36.4	Very low	36.6	Very low	212 Å²	212	143.2 Å²	143.2	92%	0.922	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-59.8	131.2	174.9	-117.1	178.1	177.3	-179.3	0	110.8	P592	P592-K594 PolarHBondContact O-N 3.1Å
595	S	34.8	Very low	36.3	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-96.6	140.4	159.2	42.5	0	0	0	0	108.6	A597	S595-A597 PolarHBondContact O-N 3.19Å
596	D	38.7	Very low	36.5	Very low	174 Å²	174	139.9 Å²	139.9	93%	0.93	78%	0.784	S	S	*	*			trans	-69.9	115.5	178.3	-78.6	-42.4	0	0	0	111.6
597	A	33	Very low	36.3	Very low	102 Å²	102	138.5 Å²	138.5	84%	0.843	78%	0.784	S	S	*	*			trans	-164.8	135.5	150.5	0	0	0	0	0	108.9	S595	S595-A597 PolarHBondContact O-N 3.19Å
598	G	33.6	Very low	36.7	Very low	81 Å²	81	142.8 Å²	142.8	84%	0.835	80%	0.795	S	S	*	*			trans	-85.2	174.1	-162.7	0	0	0	0	0	118.1
599	M	32.9	Very low	36.4	Very low	180 Å²	180	142.3 Å²	142.3	89%	0.887	79%	0.788	S	S	*	*			trans	85.1	111.8	155.9	-140.5	71.1	114	0	0	120.2
600	S	32.8	Very low	36.8	Very low	102 Å²	102	143 Å²	143	71%	0.713	79%	0.789	S	S	*	*			trans	49.9	110.5	147.7	67	0	0	0	0	120.6
601	S	32.2	Very low	36.5	Very low	117 Å²	117	139 Å²	139	82%	0.818	78%	0.78	S	S	*	*				172.8	148.8	102.6	50.7	0	0	0	0	111
602	T	37.8	Very low	36.4	Very low	136 Å²	136	142.3 Å²	142.3	83%	0.834	79%	0.79	S	S	*	*			trans	-75.5	113.4	-172.7	37.5	0	0	0	0	112.9
603	T	32.8	Very low	36	Very low	126 Å²	126	146.9 Å²	146.9	77%	0.773	80%	0.8	S	S	*	*			trans	-159.1	121.8	146.8	40.6	0	0	0	0	108.9	D605	T603-D605 PolarHBondContact O-N 3.03Å
604	V	37.3	Very low	35.9	Very low	153 Å²	153	144.1 Å²	144.1	93%	0.927	80%	0.8	S	S	*	*			trans	-76.6	98	175.6	177.2	0	0	0	0	108
605	D	37.4	Very low	35.9	Very low	145 Å²	145	145.3 Å²	145.3	78%	0.775	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-86.8	119.4	169.5	-108.2	-16.3	0	0	0	109.5	T603	T603-D605 PolarHBondContact O-N 3.03Å
606	A	40.3	Very low	35.9	Very low	77 Å²	77	147 Å²	147	64%	0.636	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65	148.2	175.1	0	0	0	0	0	111.1	R608	A606-R608 PolarHBondContact O-N 3.06Å; A606-R608 VanDerWaalsContact O-N 3.16Å
607	P	38.7	Very low	35.8	Very low	104 Å²	104	145.6 Å²	145.6	68%	0.675	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-62.7	119.4	-177.8	24	-32.2	0	0	0	111.3	K609	P607-K609 PolarHBondContact O-N 3.08Å
608	R	44.2	Very low	35.9	Very low	211 Å²	211	148 Å²	148	80%	0.796	81%	0.808	S	S	*	*			trans	-71.9	112.1	173.2	-77.9	-176.4	177.3	174.9	0.7	110	A606 F610	A606-R608 PolarHBondContact O-N 3.06Å; A606-R608 VanDerWaalsContact O-N 3.16Å; R608-F610 HydrophobicContact CB-CE2 4.29Å
609	K	37.9	Very low	36.1	Very low	137 Å²	137	151.9 Å²	151.9	60%	0.596	81%	0.807	S	S	*	*			trans	-79.9	119.2	172.5	-71.7	175.2	165.2	-161.7	0	110.2	E587 P607	E587-K609 WeakPolarHBondContact OE1-CD 3.26Å; E587-K609 WeakPolarHBondContact OE1-CE 3.28Å; E587-K609 IonicContact OE1-NZ 3.18Å; E587-K609 PolarHBondContact OE1-NZ 3.29Å; E587-K609 IonicContact OE2-NZ 3.63Å; E587-K609 PolarHBondContact OE2-NZ 3.33Å; P607-K609 PolarHBondContact O-N 3.08Å
610	F	42.2	Very low	36.3	Very low	183 Å²	183	150.2 Å²	150.2	80%	0.803	80%	0.802	S	S	*	*			trans	-101.3	120.7	167.7	-75	-86.4	0	0	0	109.5	R608	R608-F610 HydrophobicContact CB-CE2 4.29Å
611	N	34	Very low	36.5	Very low	109 Å²	109	153.4 Å²	153.4	58%	0.583	81%	0.807	S	S	*	*			trans	-94.6	108.7	171.1	-83.8	-59	0	0	0	108.9
612	M	36	Very low	36.8	Very low	191 Å²	191	156 Å²	156	94%	0.941	81%	0.807	S	S	*	*			trans	-95.1	128.9	165.7	-90.1	176.2	82.8	0	0	109.8
613	K	28.5	Very low	36.8	Very low	188 Å²	188	157.5 Å²	157.5	82%	0.817	81%	0.805	S	S	*	*			trans	-99.7	113.2	177.1	-163.8	-179.7	-177.6	-172.1	0	107.6	I615	K613-I615 PolarHBondContact O-N 3.46Å
614	M	31.6	Very low	37.1	Very low	188 Å²	188	160.2 Å²	160.2	93%	0.926	81%	0.807	S	S	*	*			trans	-68.8	128.5	169.7	-76.6	-159.8	-74.7	0	0	108.9
615	I	37	Very low	37.1	Very low	236 Å²	236	160.8 Å²	160.8	100%	1.21	80%	0.796	S	S	*	*			trans	-86.2	0	169.8	-60.9	176	0	0	0	108.2	K613	K613-I615 PolarHBondContact O-N 3.46Å

Retrieved 615 of 615 residues in 278.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).