A0A087XPQ8_POEFO Loading...

TLE family member 3, transcriptional corepressor

Transcriptional corepressor that binds to a number of transcription factors. Inhibits the transcriptional activation mediated by CTNNB1 and TCF family members in Wnt signaling. The effects of full-length TLE family members may be modulated by association with dominant-negative AES.

AlphaFold DB , UniProt , Accession A0A087XPQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 773 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	39.5	Very low	244 Å²	244	152 Å²	152	100%	1.202	78%	0.784	S	S	*	*				0	136.4	0	-72.4	168.2	165.4	0	0	107.9
2	Y	29.7	Very low	39.1	Very low	228 Å²	228	153.3 Å²	153.3	89%	0.894	78%	0.784	S	S	*	*			trans	-98.9	132.9	169.4	-84.2	-86.4	0	0	0	109.4
3	P	49.5	Very low	39.2	Very low	121 Å²	121	150.6 Å²	150.6	79%	0.786	78%	0.783	S	S	*	*			trans	-70.3	135	170.7	29.6	-32.8	0	0	0	110.1	G5	P3-G5 PolarHBondContact O-N 3.2Å
4	Q	42.4	Very low	39	Very low	193 Å²	193	144.8 Å²	144.8	90%	0.902	78%	0.778	S	S	*	*			trans	-79.3	108.2	-179.7	-69.7	175	-41.2	0	0	110.9	R6	Q4-R6 PolarHBondContact O-N 2.9Å
5	G	37	Very low	38.7	Very low	70 Å²	70	147.6 Å²	147.6	72%	0.722	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-66.3	116.3	166.9	0	0	0	0	0	110.7	P3 H7	P3-G5 PolarHBondContact O-N 3.2Å; G5-H7 PolarHBondContact O-N 2.71Å
6	R	39	Very low	39.4	Very low	243 Å²	243	144.8 Å²	144.8	92%	0.917	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.1	122.1	170.2	-82.3	-179.2	167.9	175	-4.5	109.7	Q4	Q4-R6 PolarHBondContact O-N 2.9Å
7	H	37.3	Very low	39.9	Very low	184 Å²	184	140.8 Å²	140.8	85%	0.852	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.5	134.6	161.2	-70	-85.8	0	0	0	109.9	G5	G5-H7 PolarHBondContact O-N 2.71Å
8	P	41.7	Very low	40.2	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-68.8	148	163.2	-16	31.1	0	0	0	111
9	A	38.9	Very low	40.4	Very low	67 Å²	67	146.9 Å²	146.9	55%	0.554	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.9	160.6	172.1	0	0	0	0	0	111.9
10	P	40.6	Very low	41	Very low	44 Å²	44	146.6 Å²	146.6	29%	0.286	78%	0.779	S	S	.	*	P	Polyproline II helix	trans	-87.4	129.1	-173	-1.2	21.8	0	0	0	112.7	P279 P280 E281	P10-P279 HydrophobicContact CB-CB 3.64Å; P10-P279 HydrophobicContact CB-CG 3.35Å; P10-P280 VanDerWaalsContact CB-O 3.31Å; P10-P280 WeakPolarHBondContact CB-O 3.31Å; P10-E281 HydrophobicContact CB-CB 4.23Å; P10-E281 HydrophobicContact CG-CB 3.84Å; P10-E281 HydrophobicContact CG-CG 3.91Å
11	H	41.1	Very low	42.2	Very low	158 Å²	158	142.8 Å²	142.8	73%	0.731	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-69.7	136.6	-177.4	-72.4	-86	0	0	0	114.3
12	Q	33.8	Very low	43.6	Very low	167 Å²	167	136.8 Å²	136.8	78%	0.78	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-76.2	150.9	168.3	-78.2	-172.2	-5.1	0	0	112.7
13	P	41.3	Very low	45.7	Very low	119 Å²	119	128.7 Å²	128.7	77%	0.773	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-86	116.6	-178.8	32.6	-33.3	0	0	0	112.9
14	G	35.3	Very low	47	Very low	69 Å²	69	128 Å²	128	71%	0.711	70%	0.704	S	S	*	*			trans	-169.7	47.6	-173.9	0	0	0	0	0	120
15	Q	35.7	Very low	48.5	Very low	187 Å²	187	121.1 Å²	121.1	87%	0.874	68%	0.678	S	S	*	*			trans	63.8	166.6	168.7	-60.5	-85.4	-12.3	0	0	116.2
16	P	49.1	Very low	50.3	Low	102 Å²	102	120.8 Å²	120.8	66%	0.662	66%	0.664	S	S	*	*			cis	-122.4	146.3	-40.8	31.6	-17.5	0	0	0	113.1	F18	P16-F18 PolarHBondContact O-N 3.07Å
17	G	48	Very low	52.5	Low	77 Å²	77	112.7 Å²	112.7	79%	0.794	64%	0.639	S	S	*	*			trans	74.5	15.5	135.6	0	0	0	0	0	121.1	K19	G17-K19 PolarHBondContact O-N 3.28Å; G17-K19 VanDerWaalsContact O-N 3.1Å
18	F	44.7	Very low	54.6	Low	205 Å²	205	111 Å²	111	90%	0.899	63%	0.625	S	S	*	*			trans	-70.1	105.4	167	-95.7	-89.7	0	0	0	111.1	P16 F20	P16-F18 PolarHBondContact O-N 3.07Å; F18-F20 PolarHBondContact O-N 3.47Å; F18-F20 VanDerWaalsContact O-N 3.16Å
19	K	45	Very low	56.7	Low	194 Å²	194	110.6 Å²	110.6	84%	0.843	62%	0.615	S	S	*	*			trans	-75.7	96.1	170.9	-68.1	-179.6	-179.3	177.2	0	109	G17 T21	G17-K19 PolarHBondContact O-N 3.28Å; G17-K19 VanDerWaalsContact O-N 3.1Å; K19-T21 PolarHBondContact O-N 2.56Å; K19-T21 VanDerWaalsContact O-N 3.12Å
20	F	51.6	Low	58.9	Low	139 Å²	139	112.7 Å²	112.7	61%	0.61	61%	0.611	S	S	*	*			trans	-49.3	119.3	161.4	-104.8	-88.3	0	0	0	108.7	F18 E24	F18-F20 PolarHBondContact O-N 3.47Å; F18-F20 VanDerWaalsContact O-N 3.16Å; F20-E24 HydrophobicContact CD1-CB 4.47Å
21	T	67.4	Low	61.2	Low	68 Å²	68	115.6 Å²	115.6	42%	0.417	63%	0.625	S	S	.	*			trans	-76.6	151.9	174.8	68.8	0	0	0	0	109.6	K19 A23 E24 S25	K19-T21 PolarHBondContact O-N 2.56Å; K19-T21 VanDerWaalsContact O-N 3.12Å; T21-A23 PolarHBondContact O-N 2.87Å; T21-E24 WeakPolarHBondContact CA-OE2 3.25Å; T21-E24 VanDerWaalsContact CB-OE2 3.28Å; T21-E24 WeakPolarHBondContact CB-OE2 3.39Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.14Å; T21-E24 PolarHBondContact N-OE2 2.72Å; T21-E24 PolarHBondContact O-N 2.87Å; T21-E24 VanDerWaalsContact OG1-CD 3.31Å; T21-E24 WeakPolarHBondContact OG1-CG 3.44Å; T21-E24 PolarHBondContact OG1-N 3.22Å; T21-E24 PolarHBondContact OG1-OE2 3.15Å; T21-S25 PolarHBondContact O-N 3.27Å; T21-S25 PolarHBondContact O-OG 2.97Å; T21-S25 VanDerWaalsContact O-OG 3.1Å
22	V	66.4	Low	63.4	Low	117 Å²	117	113.8 Å²	113.8	71%	0.709	62%	0.616	S	S	*	*	H	α-helix	trans	-64.7	-25.4	177	-177.6	0	0	0	0	110.6	C26	V22-C26 VanDerWaalsContact O-CB 3.31Å; V22-C26 WeakPolarHBondContact O-CB 3.46Å; V22-C26 PolarHBondContact O-N 2.98Å
23	A	73.8	Confident	66	Low	58 Å²	58	112 Å²	112	48%	0.479	61%	0.607	S	S	.	*	H	α-helix	trans	-63.3	-57.7	173.2	0	0	0	0	0	112	T21 S25 C26 D27	T21-A23 PolarHBondContact O-N 2.87Å; A23-S25 PolarHBondContact O-N 2.76Å; A23-S25 VanDerWaalsContact O-N 3.1Å; A23-C26 WeakPolarHBondContact O-CA 3.26Å; A23-C26 WeakPolarHBondContact O-CB 3.36Å; A23-C26 PolarHBondContact O-N 2.87Å; A23-D27 PolarHBondContact O-N 3.1Å
24	E	77.1	Confident	68.2	Low	106 Å²	106	112.4 Å²	112.4	50%	0.495	60%	0.598	S	S	.	*	H	α-helix	trans	-55.8	-33	178.8	-67.2	159.1	119.2	0	0	112.8	F20 T21 R28	F20-E24 HydrophobicContact CD1-CB 4.47Å; T21-E24 WeakPolarHBondContact CA-OE2 3.25Å; T21-E24 VanDerWaalsContact CB-OE2 3.28Å; T21-E24 WeakPolarHBondContact CB-OE2 3.39Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.14Å; T21-E24 PolarHBondContact N-OE2 2.72Å; T21-E24 PolarHBondContact O-N 2.87Å; T21-E24 VanDerWaalsContact OG1-CD 3.31Å; T21-E24 WeakPolarHBondContact OG1-CG 3.44Å; T21-E24 PolarHBondContact OG1-N 3.22Å; T21-E24 PolarHBondContact OG1-OE2 3.15Å; E24-R28 PolarHBondContact O-N 2.63Å
25	S	74.1	Confident	70.8	Confident	50 Å²	50	115.7 Å²	115.7	35%	0.35	59%	0.593	S	S	.	*	H	α-helix	trans	-72.1	-39.8	175.3	-52.3	0	0	0	0	112.1	T21 A23 I29	T21-S25 PolarHBondContact O-N 3.27Å; T21-S25 PolarHBondContact O-OG 2.97Å; T21-S25 VanDerWaalsContact O-OG 3.1Å; A23-S25 PolarHBondContact O-N 2.76Å; A23-S25 VanDerWaalsContact O-N 3.1Å; S25-I29 WeakPolarHBondContact O-CD1 3.48Å; S25-I29 VanDerWaalsContact O-CG1 3.28Å; S25-I29 WeakPolarHBondContact O-CG1 3.34Å; S25-I29 PolarHBondContact O-N 3.26Å
26	C	74.6	Confident	73.3	Confident	63 Å²	63	112.4 Å²	112.4	43%	0.426	58%	0.581	S	S	.	*	H	α-helix	trans	-70.4	-39.1	178.7	-167.8	0	0	0	0	111.9	V22 A23 I29 K30	V22-C26 VanDerWaalsContact O-CB 3.31Å; V22-C26 WeakPolarHBondContact O-CB 3.46Å; V22-C26 PolarHBondContact O-N 2.98Å; A23-C26 WeakPolarHBondContact O-CA 3.26Å; A23-C26 WeakPolarHBondContact O-CB 3.36Å; A23-C26 PolarHBondContact O-N 2.87Å; C26-I29 PolarHBondContact O-N 2.97Å; C26-K30 PolarHBondContact O-N 3.1Å
27	D	84.9	Confident	75.1	Confident	73 Å²	73	113 Å²	113	39%	0.39	58%	0.575	S	S	.	*	H	α-helix	trans	-71.1	-38.2	178.7	-65	-38.2	0	0	0	111.5	A23 I29 K30 D31	A23-D27 PolarHBondContact O-N 3.1Å; D27-I29 VanDerWaalsContact C-N 3.28Å; D27-I29 PolarHBondContact O-N 2.83Å; D27-K30 WeakPolarHBondContact O-CB 3.31Å; D27-K30 PolarHBondContact O-N 2.99Å; D27-K30 VanDerWaalsContact O-N 3.09Å; D27-K30 IonicContact OD1-NZ 3.93Å; D27-K30 PolarHBondContact OD1-NZ 2.82Å; D27-D31 PolarHBondContact O-N 3.19Å
28	R	82.6	Confident	77.1	Confident	149 Å²	149	112.2 Å²	112.2	56%	0.562	56%	0.561	S	S	*	*	H	α-helix	trans	-59.6	-37.9	168.7	-178.5	173.6	-68.4	177	-0.9	112.6	E24 K30 D31 E32	E24-R28 PolarHBondContact O-N 2.63Å; R28-K30 VanDerWaalsContact C-N 3.34Å; R28-D31 PolarHBondContact O-N 2.76Å; R28-E32 HydrophobicContact CG-CG 4.49Å; R28-E32 WeakPolarHBondContact O-CB 3.37Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 2.62Å
29	I	83.8	Confident	79.2	Confident	111 Å²	111	107.4 Å²	107.4	57%	0.569	54%	0.541	S	S	*	.	H	α-helix	trans	-66.7	-35.7	175.4	-70.7	165.1	0	0	0	111.2	S25 C26 D27 F33	S25-I29 WeakPolarHBondContact O-CD1 3.48Å; S25-I29 VanDerWaalsContact O-CG1 3.28Å; S25-I29 WeakPolarHBondContact O-CG1 3.34Å; S25-I29 PolarHBondContact O-N 3.26Å; C26-I29 PolarHBondContact O-N 2.97Å; D27-I29 VanDerWaalsContact C-N 3.28Å; D27-I29 PolarHBondContact O-N 2.83Å; I29-F33 VanDerWaalsContact O-CB 3.26Å; I29-F33 WeakPolarHBondContact O-CB 3.36Å; I29-F33 PolarHBondContact O-N 3.3Å
30	K	87.1	Confident	81.2	Confident	110 Å²	110	106.1 Å²	106.1	48%	0.478	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-43.4	171.6	-68.9	174	-168.6	154.4	0	111.9	C26 D27 R28 F33 Q34	C26-K30 PolarHBondContact O-N 3.1Å; D27-K30 WeakPolarHBondContact O-CB 3.31Å; D27-K30 PolarHBondContact O-N 2.99Å; D27-K30 VanDerWaalsContact O-N 3.09Å; D27-K30 IonicContact OD1-NZ 3.93Å; D27-K30 PolarHBondContact OD1-NZ 2.82Å; R28-K30 VanDerWaalsContact C-N 3.34Å; K30-F33 PolarHBondContact O-N 2.57Å; K30-Q34 WeakPolarHBondContact O-CB 3.44Å; K30-Q34 WeakPolarHBondContact O-CG 3.43Å; K30-Q34 PolarHBondContact O-N 3.3Å
31	D	88.7	Confident	83.1	Confident	105 Å²	105	105.7 Å²	105.7	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-44.4	178.4	-68.5	-18.8	0	0	0	111.2	D27 R28 F33 Q34 F35	D27-D31 PolarHBondContact O-N 3.19Å; R28-D31 PolarHBondContact O-N 2.76Å; D31-F33 VanDerWaalsContact C-N 3.35Å; D31-F33 PolarHBondContact O-N 3.01Å; D31-Q34 PolarHBondContact O-N 2.83Å; D31-F35 VanDerWaalsContact O-CB 3.3Å; D31-F35 WeakPolarHBondContact O-CB 3.3Å; D31-F35 PolarHBondContact O-N 3.03Å
32	E	85.6	Confident	84.3	Confident	120 Å²	120	105.4 Å²	105.4	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-63.5	-38.5	174.3	-73.9	176.4	-163.2	0	0	111.9	R28 L36	R28-E32 HydrophobicContact CG-CG 4.49Å; R28-E32 WeakPolarHBondContact O-CB 3.37Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 2.62Å; E32-L36 WeakPolarHBondContact O-CB 3.31Å; E32-L36 PolarHBondContact O-N 2.84Å
33	F	88.6	Confident	85.4	Confident	131 Å²	131	105.1 Å²	105.1	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-67.6	-45	175	-177.4	-93.6	0	0	0	112.5	I29 K30 D31 F35 L36 Q37	I29-F33 VanDerWaalsContact O-CB 3.26Å; I29-F33 WeakPolarHBondContact O-CB 3.36Å; I29-F33 PolarHBondContact O-N 3.3Å; K30-F33 PolarHBondContact O-N 2.57Å; D31-F33 VanDerWaalsContact C-N 3.35Å; D31-F33 PolarHBondContact O-N 3.01Å; F33-F35 VanDerWaalsContact C-N 3.35Å; F33-L36 PolarHBondContact O-N 2.77Å; F33-Q37 WeakPolarHBondContact O-CB 3.48Å; F33-Q37 PolarHBondContact O-N 2.8Å
34	Q	88.9	Confident	86.3	Confident	127 Å²	127	106.5 Å²	106.5	59%	0.593	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-40.3	175.4	-75.4	-171.4	7.3	0	0	111.6	K30 D31 Q37 A38	K30-Q34 WeakPolarHBondContact O-CB 3.44Å; K30-Q34 WeakPolarHBondContact O-CG 3.43Å; K30-Q34 PolarHBondContact O-N 3.3Å; D31-Q34 PolarHBondContact O-N 2.83Å; Q34-Q37 PolarHBondContact O-N 3.38Å; Q34-A38 WeakPolarHBondContact O-CB 3.37Å; Q34-A38 PolarHBondContact O-N 2.9Å
35	F	89.9	Confident	87.2	Confident	137 Å²	137	105.3 Å²	105.3	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-61.4	-45.4	173.7	-178.2	-96.7	0	0	0	111.4	D31 F33 Q37 A38 Q39	D31-F35 VanDerWaalsContact O-CB 3.3Å; D31-F35 WeakPolarHBondContact O-CB 3.3Å; D31-F35 PolarHBondContact O-N 3.03Å; F33-F35 VanDerWaalsContact C-N 3.35Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; F35-Q37 PolarHBondContact O-N 3.02Å; F35-A38 PolarHBondContact O-N 2.64Å; F35-Q39 HydrophobicContact CD1-CG 4.13Å; F35-Q39 HydrophobicContact CE1-CG 3.72Å; F35-Q39 HydrophobicContact CZ-CG 3.96Å; F35-Q39 WeakPolarHBondContact O-CG 3.19Å; F35-Q39 PolarHBondContact O-N 2.75Å
36	L	88	Confident	87.9	Confident	118 Å²	118	108.9 Å²	108.9	62%	0.618	53%	0.533	S	S	*	.	H	α-helix	trans	-64.9	-37.7	176.5	-174.3	62.3	0	0	0	112.2	E32 F33 Q39 Y40	E32-L36 WeakPolarHBondContact O-CB 3.31Å; E32-L36 PolarHBondContact O-N 2.84Å; F33-L36 PolarHBondContact O-N 2.77Å; L36-Q39 PolarHBondContact O-N 3.16Å; L36-Y40 WeakPolarHBondContact O-CB 3.31Å; L36-Y40 PolarHBondContact O-N 3.07Å
37	Q	86.3	Confident	88.5	Confident	115 Å²	115	113.6 Å²	113.6	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-38.5	175.9	-168.4	174.1	12.1	0	0	111.8	F33 Q34 F35 Y40 H41	F33-Q37 WeakPolarHBondContact O-CB 3.48Å; F33-Q37 PolarHBondContact O-N 2.8Å; Q34-Q37 PolarHBondContact O-N 3.38Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; F35-Q37 PolarHBondContact O-N 3.02Å; Q37-Y40 PolarHBondContact O-N 3.38Å; Q37-H41 WeakPolarHBondContact O-CB 3.45Å; Q37-H41 PolarHBondContact O-N 3.39Å
38	A	90.8	Very high	88.8	Confident	61 Å²	61	113.1 Å²	113.1	50%	0.504	54%	0.54	S	S	.	.	H	α-helix	trans	-67.6	-41.5	172.8	0	0	0	0	0	112.2	Q34 F35 H41 S42	Q34-A38 WeakPolarHBondContact O-CB 3.37Å; Q34-A38 PolarHBondContact O-N 2.9Å; F35-A38 PolarHBondContact O-N 2.64Å; A38-H41 PolarHBondContact O-N 3.11Å; A38-S42 WeakPolarHBondContact O-CB 3.21Å; A38-S42 PolarHBondContact O-N 3.02Å
39	Q	88.1	Confident	89.4	Confident	104 Å²	104	112.6 Å²	112.6	49%	0.486	54%	0.542	S	S	.	.	H	α-helix	trans	-60.8	-44.5	172.3	-73	-66	-63.8	0	0	111.5	F35 L36 H41 S42 L43	F35-Q39 HydrophobicContact CD1-CG 4.13Å; F35-Q39 HydrophobicContact CE1-CG 3.72Å; F35-Q39 HydrophobicContact CZ-CG 3.96Å; F35-Q39 WeakPolarHBondContact O-CG 3.19Å; F35-Q39 PolarHBondContact O-N 2.75Å; L36-Q39 PolarHBondContact O-N 3.16Å; Q39-H41 PolarHBondContact O-N 2.88Å; Q39-S42 PolarHBondContact O-N 2.77Å; Q39-L43 WeakPolarHBondContact O-CB 3.24Å; Q39-L43 PolarHBondContact O-N 2.85Å
40	Y	87.3	Confident	89.5	Confident	167 Å²	167	112.9 Å²	112.9	66%	0.655	54%	0.544	S	S	*	.	H	α-helix	trans	-61.4	-43	175.8	178.7	-100.8	0	0	0	112.1	L36 Q37 L43 K44	L36-Y40 WeakPolarHBondContact O-CB 3.31Å; L36-Y40 PolarHBondContact O-N 3.07Å; Q37-Y40 PolarHBondContact O-N 3.38Å; Y40-L43 PolarHBondContact O-N 3.1Å; Y40-K44 WeakPolarHBondContact O-CB 3.42Å; Y40-K44 PolarHBondContact O-N 3.31Å
41	H	92.3	Very high	89.4	Confident	130 Å²	130	109.5 Å²	109.5	60%	0.602	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-42	176.3	-169.8	75	0	0	0	112.3	Q37 A38 Q39 L43 K44 V45	Q37-H41 WeakPolarHBondContact O-CB 3.45Å; Q37-H41 PolarHBondContact O-N 3.39Å; A38-H41 PolarHBondContact O-N 3.11Å; Q39-H41 PolarHBondContact O-N 2.88Å; H41-L43 PolarHBondContact O-N 3.27Å; H41-K44 WeakPolarHBondContact O-CB 3.48Å; H41-K44 PolarHBondContact O-N 2.79Å; H41-V45 WeakPolarHBondContact O-CG2 3.28Å; H41-V45 PolarHBondContact O-N 2.58Å
42	S	90.9	Very high	89.5	Confident	62 Å²	62	109.8 Å²	109.8	43%	0.434	54%	0.538	S	S	.	.	H	α-helix	trans	-60.2	-45.9	174.2	-167.1	0	0	0	0	111.7	A38 Q39 K44 V45 E46	A38-S42 WeakPolarHBondContact O-CB 3.21Å; A38-S42 PolarHBondContact O-N 3.02Å; Q39-S42 PolarHBondContact O-N 2.77Å; S42-K44 VanDerWaalsContact C-N 3.32Å; S42-K44 PolarHBondContact O-N 3.44Å; S42-V45 PolarHBondContact O-N 3.15Å; S42-E46 PolarHBondContact O-N 3.19Å
43	L	90.8	Very high	89.7	Confident	111 Å²	111	109.2 Å²	109.2	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-66	-33.7	178.3	-174.3	63.7	0	0	0	112.2	Q39 Y40 H41 E46 Y47	Q39-L43 WeakPolarHBondContact O-CB 3.24Å; Q39-L43 PolarHBondContact O-N 2.85Å; Y40-L43 PolarHBondContact O-N 3.1Å; H41-L43 PolarHBondContact O-N 3.27Å; L43-E46 PolarHBondContact O-N 3.12Å; L43-Y47 WeakPolarHBondContact O-CB 3.31Å; L43-Y47 PolarHBondContact O-N 2.87Å
44	K	93.1	Very high	89.6	Confident	86 Å²	86	109 Å²	109	37%	0.374	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-44.7	173	-175.3	66.8	177	73.1	0	111.5	Y40 H41 S42 Y47 D48	Y40-K44 WeakPolarHBondContact O-CB 3.42Å; Y40-K44 PolarHBondContact O-N 3.31Å; H41-K44 WeakPolarHBondContact O-CB 3.48Å; H41-K44 PolarHBondContact O-N 2.79Å; S42-K44 VanDerWaalsContact C-N 3.32Å; S42-K44 PolarHBondContact O-N 3.44Å; K44-Y47 PolarHBondContact O-N 3.44Å; K44-D48 IonicContact NZ-OD1 3.18Å; K44-D48 PolarHBondContact NZ-OD1 2.86Å; K44-D48 IonicContact NZ-OD2 2.76Å; K44-D48 PolarHBondContact NZ-OD2 2.79Å; K44-D48 PolarHBondContact O-N 2.9Å
45	V	94.3	Very high	89.6	Confident	82 Å²	82	106.3 Å²	106.3	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-39.6	177	174.1	0	0	0	0	111.6	H41 S42 D48 K49	H41-V45 WeakPolarHBondContact O-CG2 3.28Å; H41-V45 PolarHBondContact O-N 2.58Å; S42-V45 PolarHBondContact O-N 3.15Å; V45-D48 PolarHBondContact O-N 3.08Å; V45-K49 WeakPolarHBondContact O-CB 3.44Å; V45-K49 PolarHBondContact O-N 3.02Å
46	E	90.2	Very high	89.5	Confident	125 Å²	125	104 Å²	104	58%	0.584	52%	0.517	S	S	*	.	H	α-helix	trans	-64.6	-40.5	172.8	-72.4	-163.9	147.7	0	0	112.4	S42 L43 K49 L50	S42-E46 PolarHBondContact O-N 3.19Å; L43-E46 PolarHBondContact O-N 3.12Å; E46-K49 PolarHBondContact O-N 2.95Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 PolarHBondContact O-N 3.3Å
47	Y	87.3	Confident	89.2	Confident	162 Å²	162	104.6 Å²	104.6	64%	0.635	52%	0.519	S	S	*	.	H	α-helix	trans	-62	-46.4	175.1	178.4	-87.9	0	0	0	112	L43 K44 K49 L50 A51	L43-Y47 WeakPolarHBondContact O-CB 3.31Å; L43-Y47 PolarHBondContact O-N 2.87Å; K44-Y47 PolarHBondContact O-N 3.44Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 2.84Å; Y47-L50 PolarHBondContact O-N 2.87Å; Y47-A51 PolarHBondContact O-N 3.37Å
48	D	91.2	Very high	88.9	Confident	63 Å²	63	104.6 Å²	104.6	34%	0.337	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-33.8	179.5	-64.4	-23.5	0	0	0	111.5	K44 V45 N52	K44-D48 IonicContact NZ-OD1 3.18Å; K44-D48 PolarHBondContact NZ-OD1 2.86Å; K44-D48 IonicContact NZ-OD2 2.76Å; K44-D48 PolarHBondContact NZ-OD2 2.79Å; K44-D48 PolarHBondContact O-N 2.9Å; V45-D48 PolarHBondContact O-N 3.08Å; D48-N52 PolarHBondContact O-N 2.91Å; D48-N52 VanDerWaalsContact O-N 3.13Å; D48-N52 PolarHBondContact O-ND2 3.38Å
49	K	94.3	Very high	88.8	Confident	137 Å²	137	109.5 Å²	109.5	60%	0.596	52%	0.524	S	S	*	.	H	α-helix	trans	-62.7	-47.6	169.2	-177.1	-170.2	170.8	-167.1	0	111.6	V45 E46 Y47 A51 N52 E53	V45-K49 WeakPolarHBondContact O-CB 3.44Å; V45-K49 PolarHBondContact O-N 3.02Å; E46-K49 PolarHBondContact O-N 2.95Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 2.84Å; K49-A51 VanDerWaalsContact C-N 3.28Å; K49-A51 PolarHBondContact O-N 3.36Å; K49-N52 PolarHBondContact O-N 2.75Å; K49-E53 PolarHBondContact O-N 3.1Å
50	L	85.4	Confident	88.8	Confident	117 Å²	117	108.9 Å²	108.9	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-64.8	-33.3	179.8	-131.4	72.4	0	0	0	112.1	E46 Y47 K54	E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 PolarHBondContact O-N 3.3Å; Y47-L50 PolarHBondContact O-N 2.87Å; L50-K54 VanDerWaalsContact O-CB 3.31Å; L50-K54 WeakPolarHBondContact O-CB 3.49Å; L50-K54 PolarHBondContact O-N 3.26Å
51	A	86.6	Confident	88.8	Confident	39 Å²	39	107.7 Å²	107.7	32%	0.322	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-46.4	172.6	0	0	0	0	0	111.5	Y47 K49 K54 T55	Y47-A51 PolarHBondContact O-N 3.37Å; K49-A51 VanDerWaalsContact C-N 3.28Å; K49-A51 PolarHBondContact O-N 3.36Å; A51-K54 PolarHBondContact O-N 2.77Å; A51-T55 WeakPolarHBondContact O-CG2 3.33Å; A51-T55 PolarHBondContact O-N 3.4Å
52	N	90.2	Very high	88.6	Confident	111 Å²	111	104.8 Å²	104.8	59%	0.594	51%	0.508	S	S	*	.	H	α-helix	trans	-61.4	-48.7	175.3	-73.6	-22.5	0	0	0	111.7	D48 K49 K54 T55 E56	D48-N52 PolarHBondContact O-N 2.91Å; D48-N52 VanDerWaalsContact O-N 3.13Å; D48-N52 PolarHBondContact O-ND2 3.38Å; K49-N52 PolarHBondContact O-N 2.75Å; N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 PolarHBondContact O-N 2.91Å; N52-T55 PolarHBondContact O-N 2.7Å; N52-T55 PolarHBondContact O-OG1 3.15Å; N52-E56 PolarHBondContact O-N 2.98Å
53	E	89.6	Confident	88.5	Confident	109 Å²	109	106.4 Å²	106.4	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-39.2	178.3	-169.7	167.8	179.4	0	0	112	K49 E56 M57	K49-E53 PolarHBondContact O-N 3.1Å; E53-E56 PolarHBondContact O-N 3.26Å; E53-M57 WeakPolarHBondContact O-CB 3.4Å; E53-M57 PolarHBondContact O-N 2.94Å
54	K	85.7	Confident	88.2	Confident	126 Å²	126	108.1 Å²	108.1	55%	0.548	51%	0.51	S	S	.	.	H	α-helix	trans	-60.2	-46.8	170.6	178.9	-177.8	175.5	-178.2	0	112.2	L50 A51 N52 E56 M57 Q58	L50-K54 VanDerWaalsContact O-CB 3.31Å; L50-K54 WeakPolarHBondContact O-CB 3.49Å; L50-K54 PolarHBondContact O-N 3.26Å; A51-K54 PolarHBondContact O-N 2.77Å; N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 PolarHBondContact O-N 2.91Å; K54-E56 VanDerWaalsContact C-N 3.3Å; K54-E56 PolarHBondContact O-N 3.42Å; K54-M57 PolarHBondContact O-N 3.16Å; K54-Q58 WeakPolarHBondContact O-CB 3.49Å; K54-Q58 PolarHBondContact O-N 3.02Å
55	T	89.6	Confident	87.9	Confident	70 Å²	70	108.9 Å²	108.9	43%	0.429	51%	0.511	S	S	.	.	H	α-helix	trans	-66	-33.9	179.2	60.5	0	0	0	0	112.6	A51 N52 Q58 R59	A51-T55 WeakPolarHBondContact O-CG2 3.33Å; A51-T55 PolarHBondContact O-N 3.4Å; N52-T55 PolarHBondContact O-N 2.7Å; N52-T55 PolarHBondContact O-OG1 3.15Å; T55-Q58 PolarHBondContact O-N 2.87Å; T55-R59 PolarHBondContact O-N 2.89Å
56	E	88.2	Confident	87.5	Confident	88 Å²	88	111.6 Å²	111.6	41%	0.411	52%	0.518	S	S	.	.	H	α-helix	trans	-74.4	-39.6	178.6	-160.3	68.3	172.9	0	0	111.6	N52 E53 K54 Q58 R59 H60	N52-E56 PolarHBondContact O-N 2.98Å; E53-E56 PolarHBondContact O-N 3.26Å; K54-E56 VanDerWaalsContact C-N 3.3Å; K54-E56 PolarHBondContact O-N 3.42Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 2.86Å; E56-R59 WeakPolarHBondContact O-CB 3.29Å; E56-R59 PolarHBondContact O-N 3.27Å; E56-R59 IonicContact OE2-CZ 2.66Å; E56-R59 IonicContact OE2-NH1 2.73Å; E56-R59 PolarHBondContact OE2-NH1 3.02Å; E56-H60 PolarHBondContact O-N 3.43Å; E56-H60 PolarHBondContact O-ND1 3.39Å
57	M	80.7	Confident	87.3	Confident	131 Å²	131	110.2 Å²	110.2	65%	0.645	51%	0.513	S	S	*	.	H	α-helix	trans	-63.6	-35.3	169.9	-176.7	159.6	54	0	0	111.8	E53 K54 H60 Y61	E53-M57 WeakPolarHBondContact O-CB 3.4Å; E53-M57 PolarHBondContact O-N 2.94Å; K54-M57 PolarHBondContact O-N 3.16Å; M57-H60 PolarHBondContact O-N 2.93Å; M57-Y61 WeakPolarHBondContact O-CB 3.16Å; M57-Y61 PolarHBondContact O-N 2.83Å
58	Q	79.7	Confident	86.8	Confident	115 Å²	115	105.6 Å²	105.6	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-68.9	-35.2	174.6	-170	169	-8.6	0	0	112.5	K54 T55 E56 Y61 V62	K54-Q58 WeakPolarHBondContact O-CB 3.49Å; K54-Q58 PolarHBondContact O-N 3.02Å; T55-Q58 PolarHBondContact O-N 2.87Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 2.86Å; Q58-Y61 PolarHBondContact O-N 2.92Å; Q58-V62 WeakPolarHBondContact O-CG2 3.5Å; Q58-V62 PolarHBondContact O-N 2.72Å
59	R	89.4	Confident	86.4	Confident	165 Å²	165	107 Å²	107	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-48.8	168.4	-78.6	-167.8	179.8	103.9	3.4	111.7	T55 E56 Y61 V62 M63	T55-R59 PolarHBondContact O-N 2.89Å; E56-R59 WeakPolarHBondContact O-CB 3.29Å; E56-R59 PolarHBondContact O-N 3.27Å; E56-R59 IonicContact OE2-CZ 2.66Å; E56-R59 IonicContact OE2-NH1 2.73Å; E56-R59 PolarHBondContact OE2-NH1 3.02Å; R59-Y61 VanDerWaalsContact C-N 3.32Å; R59-Y61 PolarHBondContact O-N 2.78Å; R59-V62 PolarHBondContact O-N 2.69Å; R59-M63 WeakPolarHBondContact O-CB 3.34Å; R59-M63 PolarHBondContact O-N 3.45Å
60	H	87.8	Confident	86	Confident	91 Å²	91	102.4 Å²	102.4	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-43.1	178.1	-73	99.4	0	0	0	111.6	E56 M57 M63 Y64	E56-H60 PolarHBondContact O-N 3.43Å; E56-H60 PolarHBondContact O-ND1 3.39Å; M57-H60 PolarHBondContact O-N 2.93Å; H60-M63 PolarHBondContact O-N 3.4Å; H60-Y64 WeakPolarHBondContact O-CB 3.42Å; H60-Y64 WeakPolarHBondContact O-CD2 3.41Å; H60-Y64 PolarHBondContact O-N 2.77Å
61	Y	87.5	Confident	85.8	Confident	141 Å²	141	102.3 Å²	102.3	55%	0.553	50%	0.496	S	S	*	.	H	α-helix	trans	-58.8	-48.8	175.9	-178.4	-94.8	0	0	0	112.3	M57 Q58 R59 M63 Y64 Y65	M57-Y61 WeakPolarHBondContact O-CB 3.16Å; M57-Y61 PolarHBondContact O-N 2.83Å; Q58-Y61 PolarHBondContact O-N 2.92Å; R59-Y61 VanDerWaalsContact C-N 3.32Å; R59-Y61 PolarHBondContact O-N 2.78Å; Y61-M63 PolarHBondContact O-N 3.45Å; Y61-Y64 PolarHBondContact O-N 2.96Å; Y61-Y65 WeakPolarHBondContact O-CB 3.31Å; Y61-Y65 PolarHBondContact O-N 2.96Å
62	V	87.6	Confident	85.5	Confident	70 Å²	70	103.9 Å²	103.9	42%	0.424	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-43.4	177.4	172.7	0	0	0	0	111.3	Q58 R59 Y65 E66	Q58-V62 WeakPolarHBondContact O-CG2 3.5Å; Q58-V62 PolarHBondContact O-N 2.72Å; R59-V62 PolarHBondContact O-N 2.69Å; V62-Y65 PolarHBondContact O-N 2.89Å; V62-E66 HydrophobicContact CG1-CG 4.47Å; V62-E66 PolarHBondContact O-N 2.64Å
63	M	90.2	Very high	85.2	Confident	96 Å²	96	101.9 Å²	101.9	47%	0.473	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-45.5	176.8	-176.5	-170.7	72.5	0	0	112.2	R59 H60 Y61 M67	R59-M63 WeakPolarHBondContact O-CB 3.34Å; R59-M63 PolarHBondContact O-N 3.45Å; H60-M63 PolarHBondContact O-N 3.4Å; Y61-M63 PolarHBondContact O-N 3.45Å; M63-M67 WeakPolarHBondContact O-CB 3.13Å; M63-M67 PolarHBondContact O-N 2.83Å
64	Y	84.3	Confident	84.9	Confident	147 Å²	147	100.1 Å²	100.1	58%	0.576	48%	0.479	S	S	*	.	H	α-helix	trans	-65.2	-38.6	175.8	-91.5	-74.4	0	0	0	112.1	H60 Y61 M67 S68	H60-Y64 WeakPolarHBondContact O-CB 3.42Å; H60-Y64 WeakPolarHBondContact O-CD2 3.41Å; H60-Y64 PolarHBondContact O-N 2.77Å; Y61-Y64 PolarHBondContact O-N 2.96Å; Y64-M67 HydrophobicContact CD1-CE 3.78Å; Y64-M67 HydrophobicContact CE1-CE 3.83Å; Y64-S68 VanDerWaalsContact O-CB 3.24Å; Y64-S68 WeakPolarHBondContact O-CB 3.31Å; Y64-S68 PolarHBondContact O-N 2.79Å; Y64-S68 PolarHBondContact O-OG 2.79Å
65	Y	86.7	Confident	84.6	Confident	102 Å²	102	99.3 Å²	99.3	40%	0.4	48%	0.479	S	S	.	.	H	α-helix	trans	-62.9	-50.6	175.3	-173.3	-98.4	0	0	0	111.5	Y61 V62 M67 S68 Y69	Y61-Y65 WeakPolarHBondContact O-CB 3.31Å; Y61-Y65 PolarHBondContact O-N 2.96Å; V62-Y65 PolarHBondContact O-N 2.89Å; Y65-M67 PolarHBondContact O-N 2.85Å; Y65-S68 PolarHBondContact O-OG 2.89Å; Y65-S68 VanDerWaalsContact O-OG 3.09Å; Y65-Y69 WeakPolarHBondContact O-CB 3.44Å; Y65-Y69 PolarHBondContact O-N 3.33Å
66	E	84.8	Confident	84.2	Confident	139 Å²	139	101.5 Å²	101.5	65%	0.65	48%	0.484	S	S	*	.	H	α-helix	trans	-65.5	-40.5	178.8	-68.5	-164.7	137.7	0	0	112.7	V62 Y69 G70	V62-E66 HydrophobicContact CG1-CG 4.47Å; V62-E66 PolarHBondContact O-N 2.64Å; E66-Y69 PolarHBondContact O-N 3.39Å; E66-G70 PolarHBondContact O-N 3.3Å
67	M	85.9	Confident	84	Confident	96 Å²	96	102.3 Å²	102.3	47%	0.473	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-48.6	177.5	-178.7	172.8	62.5	0	0	112.1	M63 Y64 Y65 Y69 G70 L71	M63-M67 WeakPolarHBondContact O-CB 3.13Å; M63-M67 PolarHBondContact O-N 2.83Å; Y64-M67 HydrophobicContact CD1-CE 3.78Å; Y64-M67 HydrophobicContact CE1-CE 3.83Å; Y65-M67 PolarHBondContact O-N 2.85Å; M67-Y69 VanDerWaalsContact C-N 3.33Å; M67-Y69 PolarHBondContact O-N 2.64Å; M67-G70 PolarHBondContact O-N 3.03Å; M67-L71 HydrophobicContact CG-CD1 4.11Å; M67-L71 WeakPolarHBondContact O-CB 3.44Å; M67-L71 WeakPolarHBondContact O-CG 3.19Å; M67-L71 PolarHBondContact O-N 2.83Å
68	S	77.3	Confident	84.1	Confident	65 Å²	65	101 Å²	101	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-37.1	177.3	59.9	0	0	0	0	111.9	Y64 Y65 L71 N72	Y64-S68 VanDerWaalsContact O-CB 3.24Å; Y64-S68 WeakPolarHBondContact O-CB 3.31Å; Y64-S68 PolarHBondContact O-N 2.79Å; Y64-S68 PolarHBondContact O-OG 2.79Å; Y65-S68 PolarHBondContact O-OG 2.89Å; Y65-S68 VanDerWaalsContact O-OG 3.09Å; S68-L71 PolarHBondContact O-N 2.9Å; S68-N72 VanDerWaalsContact O-CB 3.24Å; S68-N72 WeakPolarHBondContact O-CB 3.39Å; S68-N72 PolarHBondContact O-N 2.62Å
69	Y	83.3	Confident	84.1	Confident	93 Å²	93	98.5 Å²	98.5	37%	0.365	47%	0.471	S	S	.	.	H	α-helix	trans	-66.2	-40.9	175.7	-159.7	-105.1	0	0	0	112.6	Y65 E66 M67 N72 I73 K236	Y65-Y69 WeakPolarHBondContact O-CB 3.44Å; Y65-Y69 PolarHBondContact O-N 3.33Å; E66-Y69 PolarHBondContact O-N 3.39Å; M67-Y69 VanDerWaalsContact C-N 3.33Å; M67-Y69 PolarHBondContact O-N 2.64Å; Y69-N72 PolarHBondContact O-N 3.32Å; Y69-I73 HydrophobicContact CD1-CD1 3.78Å; Y69-I73 HydrophobicContact CE1-CD1 3.44Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.44Å; Y69-I73 HydrophobicContact CE1-CG1 4.29Å; Y69-I73 WeakPolarHBondContact O-CG1 3.44Å; Y69-I73 PolarHBondContact O-N 2.56Å; Y69-K236 WeakPolarHBondContact OH-CD 3.25Å; Y69-K236 VanDerWaalsContact OH-CE 3.31Å; Y69-K236 WeakPolarHBondContact OH-CE 3.35Å; Y69-K236 PolarHBondContact OH-NZ 3.2Å
70	G	85	Confident	83.8	Confident	39 Å²	39	94.3 Å²	94.3	40%	0.402	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-47.9	173.4	0	0	0	0	0	112.6	E66 M67 N72 I73 E74	E66-G70 PolarHBondContact O-N 3.3Å; M67-G70 PolarHBondContact O-N 3.03Å; G70-N72 PolarHBondContact O-N 2.87Å; G70-I73 PolarHBondContact O-N 3.13Å; G70-E74 PolarHBondContact O-N 3.41Å
71	L	81.7	Confident	83.6	Confident	116 Å²	116	93.9 Å²	93.9	61%	0.607	46%	0.458	S	S	*	.	H	α-helix	trans	-61.5	-42.2	176.2	-72.9	170.2	0	0	0	112.1	M67 S68 E74 M75	M67-L71 HydrophobicContact CG-CD1 4.11Å; M67-L71 WeakPolarHBondContact O-CB 3.44Å; M67-L71 WeakPolarHBondContact O-CG 3.19Å; M67-L71 PolarHBondContact O-N 2.83Å; S68-L71 PolarHBondContact O-N 2.9Å; L71-E74 PolarHBondContact O-N 3.5Å; L71-M75 WeakPolarHBondContact O-CB 3.5Å; L71-M75 PolarHBondContact O-N 3.23Å
72	N	79.8	Confident	83.2	Confident	72 Å²	72	89.2 Å²	89.2	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-65.6	-41	178.7	-170.2	8.7	0	0	0	111.8	S68 Y69 G70 M75 H76	S68-N72 VanDerWaalsContact O-CB 3.24Å; S68-N72 WeakPolarHBondContact O-CB 3.39Å; S68-N72 PolarHBondContact O-N 2.62Å; Y69-N72 PolarHBondContact O-N 3.32Å; G70-N72 PolarHBondContact O-N 2.87Å; N72-M75 WeakPolarHBondContact OD1-CE 3.48Å; N72-H76 PolarHBondContact O-N 2.89Å; N72-H76 PolarHBondContact O-ND1 2.81Å; N72-H76 PolarHBondContact OD1-CE1 2.9Å; N72-H76 PolarHBondContact OD1-ND1 3.2Å
73	I	84.4	Confident	83.1	Confident	68 Å²	68	92.1 Å²	92.1	35%	0.349	46%	0.456	S	S	.	.	H	α-helix	trans	-60.8	-45	172.1	-78.4	174.3	0	0	0	111.2	Y69 G70 H76 K77	Y69-I73 HydrophobicContact CD1-CD1 3.78Å; Y69-I73 HydrophobicContact CE1-CD1 3.44Å; Y69-I73 VanDerWaalsContact CE1-CD1 3.44Å; Y69-I73 HydrophobicContact CE1-CG1 4.29Å; Y69-I73 WeakPolarHBondContact O-CG1 3.44Å; Y69-I73 PolarHBondContact O-N 2.56Å; G70-I73 PolarHBondContact O-N 3.13Å; I73-H76 PolarHBondContact O-N 2.91Å; I73-K77 WeakPolarHBondContact O-CG 3.44Å; I73-K77 PolarHBondContact O-N 3.01Å
74	E	82.7	Confident	82.9	Confident	73 Å²	73	94.9 Å²	94.9	34%	0.341	46%	0.461	S	S	.	.	H	α-helix	trans	-68.5	-42.4	-179.3	-165.6	55.3	-134.4	0	0	111.6	G70 L71 H76 K77 Q78	G70-E74 PolarHBondContact O-N 3.41Å; L71-E74 PolarHBondContact O-N 3.5Å; E74-H76 VanDerWaalsContact C-N 3.28Å; E74-H76 PolarHBondContact O-N 2.84Å; E74-K77 WeakPolarHBondContact O-CB 3.43Å; E74-K77 PolarHBondContact O-N 3.1Å; E74-K77 WeakPolarHBondContact OE2-CD 3.31Å; E74-K77 WeakPolarHBondContact OE2-CE 3.34Å; E74-K77 IonicContact OE2-NZ 2.89Å; E74-K77 PolarHBondContact OE2-NZ 2.87Å; E74-Q78 WeakPolarHBondContact O-CG 3.28Å; E74-Q78 PolarHBondContact O-N 3.05Å; E74-Q78 PolarHBondContact OE1-NE2 2.86Å
75	M	80.6	Confident	82.8	Confident	109 Å²	109	92.6 Å²	92.6	54%	0.537	46%	0.458	S	S	.	.	H	α-helix	trans	-54.5	-42.9	172.2	-176.6	-177.5	71.6	0	0	112.1	L71 N72 Q78 T79	L71-M75 WeakPolarHBondContact O-CB 3.5Å; L71-M75 PolarHBondContact O-N 3.23Å; N72-M75 WeakPolarHBondContact OD1-CE 3.48Å; M75-Q78 PolarHBondContact O-N 2.85Å; M75-T79 WeakPolarHBondContact O-CB 3.3Å; M75-T79 PolarHBondContact O-N 2.89Å; M75-T79 PolarHBondContact O-OG1 2.94Å
76	H	80.7	Confident	82.4	Confident	115 Å²	115	90.8 Å²	90.8	53%	0.532	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-40.3	174.7	-82.8	78.1	0	0	0	112.7	N72 I73 E74 T79 E80	N72-H76 PolarHBondContact O-N 2.89Å; N72-H76 PolarHBondContact O-ND1 2.81Å; N72-H76 PolarHBondContact OD1-CE1 2.9Å; N72-H76 PolarHBondContact OD1-ND1 3.2Å; I73-H76 PolarHBondContact O-N 2.91Å; E74-H76 VanDerWaalsContact C-N 3.28Å; E74-H76 PolarHBondContact O-N 2.84Å; H76-T79 PolarHBondContact O-N 3.25Å; H76-E80 WeakPolarHBondContact O-CB 3.33Å; H76-E80 PolarHBondContact O-N 3Å
77	K	84.8	Confident	82.3	Confident	105 Å²	105	86.6 Å²	86.6	46%	0.457	45%	0.445	S	S	.	.	H	α-helix	trans	-62.2	-47.6	173.4	-66	-179.7	-150.4	155.2	0	111.6	I73 E74 T79 E80 I81	I73-K77 WeakPolarHBondContact O-CG 3.44Å; I73-K77 PolarHBondContact O-N 3.01Å; E74-K77 WeakPolarHBondContact O-CB 3.43Å; E74-K77 PolarHBondContact O-N 3.1Å; E74-K77 WeakPolarHBondContact OE2-CD 3.31Å; E74-K77 WeakPolarHBondContact OE2-CE 3.34Å; E74-K77 IonicContact OE2-NZ 2.89Å; E74-K77 PolarHBondContact OE2-NZ 2.87Å; K77-T79 VanDerWaalsContact C-N 3.3Å; K77-T79 PolarHBondContact O-N 2.94Å; K77-E80 PolarHBondContact O-N 3.19Å; K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å; K77-I81 PolarHBondContact O-N 2.88Å
78	Q	81.9	Confident	82.1	Confident	103 Å²	103	86.1 Å²	86.1	48%	0.481	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-36.7	-179.3	-61.6	-55.4	-35.3	0	0	111.4	E74 M75 I81 A82	E74-Q78 WeakPolarHBondContact O-CG 3.28Å; E74-Q78 PolarHBondContact O-N 3.05Å; E74-Q78 PolarHBondContact OE1-NE2 2.86Å; M75-Q78 PolarHBondContact O-N 2.85Å; Q78-I81 PolarHBondContact O-N 3.17Å; Q78-A82 VanDerWaalsContact O-CB 3.3Å; Q78-A82 WeakPolarHBondContact O-CB 3.46Å; Q78-A82 PolarHBondContact O-N 2.9Å
79	T	80.9	Confident	81.9	Confident	63 Å²	63	86.1 Å²	86.1	39%	0.387	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-42.1	172.9	-60	0	0	0	0	111.8	M75 H76 K77 A82 K83	M75-T79 WeakPolarHBondContact O-CB 3.3Å; M75-T79 PolarHBondContact O-N 2.89Å; M75-T79 PolarHBondContact O-OG1 2.94Å; H76-T79 PolarHBondContact O-N 3.25Å; K77-T79 VanDerWaalsContact C-N 3.3Å; K77-T79 PolarHBondContact O-N 2.94Å; T79-A82 PolarHBondContact O-N 2.92Å; T79-K83 WeakPolarHBondContact O-CG 3.33Å; T79-K83 PolarHBondContact O-N 2.89Å
80	E	81.9	Confident	81.6	Confident	77 Å²	77	84.6 Å²	84.6	36%	0.36	45%	0.445	S	S	.	.	H	α-helix	trans	-69.6	-38.2	177.3	179.3	59.7	-168.5	0	0	112.4	H76 K77 K83 R84	H76-E80 WeakPolarHBondContact O-CB 3.33Å; H76-E80 PolarHBondContact O-N 3Å; K77-E80 PolarHBondContact O-N 3.19Å; E80-K83 PolarHBondContact O-N 3.33Å; E80-R84 WeakPolarHBondContact O-CG 3.49Å; E80-R84 PolarHBondContact O-N 2.7Å; E80-R84 IonicContact OE1-CZ 3.68Å; E80-R84 IonicContact OE1-NE 3.03Å; E80-R84 PolarHBondContact OE1-NE 2.88Å; E80-R84 IonicContact OE1-NH2 3.46Å; E80-R84 PolarHBondContact OE1-NH2 2.68Å
81	I	84.3	Confident	81.2	Confident	82 Å²	82	89.3 Å²	89.3	42%	0.421	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-45.1	171.7	-68.9	163.4	0	0	0	110.1	K77 Q78 K83 R84 L85	K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å; K77-I81 PolarHBondContact O-N 2.88Å; Q78-I81 PolarHBondContact O-N 3.17Å; I81-K83 PolarHBondContact O-N 3.22Å; I81-R84 PolarHBondContact O-N 2.96Å; I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.49Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 2.95Å
82	A	78.3	Confident	80.9	Confident	44 Å²	44	88 Å²	88	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-40	176.5	0	0	0	0	0	112.4	Q78 T79 L85 N86	Q78-A82 VanDerWaalsContact O-CB 3.3Å; Q78-A82 WeakPolarHBondContact O-CB 3.46Å; Q78-A82 PolarHBondContact O-N 2.9Å; T79-A82 PolarHBondContact O-N 2.92Å; A82-L85 PolarHBondContact O-N 3Å; A82-N86 WeakPolarHBondContact O-CB 3.5Å; A82-N86 PolarHBondContact O-N 2.8Å; A82-N86 PolarHBondContact O-ND2 3.4Å
83	K	84.9	Confident	80.4	Confident	130 Å²	130	87.2 Å²	87.2	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-59.9	-45.9	172.9	-76.3	171.2	-179.7	176.1	0	111.7	T79 E80 I81 N86 A87	T79-K83 WeakPolarHBondContact O-CG 3.33Å; T79-K83 PolarHBondContact O-N 2.89Å; E80-K83 PolarHBondContact O-N 3.33Å; I81-K83 PolarHBondContact O-N 3.22Å; K83-N86 PolarHBondContact O-N 3.05Å; K83-A87 WeakPolarHBondContact O-CB 3.27Å; K83-A87 PolarHBondContact O-N 3.03Å
84	R	86.3	Confident	79.9	Confident	154 Å²	154	88.5 Å²	88.5	58%	0.581	46%	0.456	S	S	*	.	H	α-helix	trans	-65.6	-42.1	178.6	-69.5	172.1	-170.6	-149.1	0.1	112.4	E80 I81 A87 I88	E80-R84 WeakPolarHBondContact O-CG 3.49Å; E80-R84 PolarHBondContact O-N 2.7Å; E80-R84 IonicContact OE1-CZ 3.68Å; E80-R84 IonicContact OE1-NE 3.03Å; E80-R84 PolarHBondContact OE1-NE 2.88Å; E80-R84 IonicContact OE1-NH2 3.46Å; E80-R84 PolarHBondContact OE1-NH2 2.68Å; I81-R84 PolarHBondContact O-N 2.96Å; R84-A87 PolarHBondContact O-N 2.86Å; R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.33Å; R84-I88 PolarHBondContact O-N 2.83Å
85	L	82.4	Confident	79.4	Confident	99 Å²	99	93.6 Å²	93.6	52%	0.518	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-44.8	174.1	-75.5	167.8	0	0	0	111.7	I81 A82 A87 I88 L89	I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.49Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 2.95Å; A82-L85 PolarHBondContact O-N 3Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 2.71Å; L85-I88 PolarHBondContact O-N 2.92Å; L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.31Å; L85-L89 PolarHBondContact O-N 3.47Å
86	N	79.8	Confident	78.9	Confident	65 Å²	65	91.7 Å²	91.7	35%	0.348	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-38.3	175.1	-80.8	-76.3	0	0	0	112.3	A82 K83 L89 A90	A82-N86 WeakPolarHBondContact O-CB 3.5Å; A82-N86 PolarHBondContact O-N 2.8Å; A82-N86 PolarHBondContact O-ND2 3.4Å; K83-N86 PolarHBondContact O-N 3.05Å; N86-L89 PolarHBondContact O-N 2.87Å; N86-A90 WeakPolarHBondContact O-CB 3.45Å; N86-A90 PolarHBondContact O-N 3.19Å
87	A	81.3	Confident	78.5	Confident	50 Å²	50	89.5 Å²	89.5	41%	0.413	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-42	175.3	0	0	0	0	0	112.5	K83 R84 L85 A90 Q91	K83-A87 WeakPolarHBondContact O-CB 3.27Å; K83-A87 PolarHBondContact O-N 3.03Å; R84-A87 PolarHBondContact O-N 2.86Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 2.71Å; A87-A90 PolarHBondContact O-N 3.37Å; A87-Q91 WeakPolarHBondContact O-CG 3.42Å; A87-Q91 PolarHBondContact O-N 2.74Å
88	I	82.6	Confident	77.7	Confident	87 Å²	87	92.3 Å²	92.3	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-44.2	174.8	-68.9	163.6	0	0	0	110.6	R84 L85 A90 Q91 I92	R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.33Å; R84-I88 PolarHBondContact O-N 2.83Å; L85-I88 PolarHBondContact O-N 2.92Å; I88-A90 VanDerWaalsContact C-N 3.34Å; I88-A90 PolarHBondContact O-N 2.89Å; I88-Q91 PolarHBondContact O-N 2.93Å; I88-Q91 VanDerWaalsContact O-N 3.16Å; I88-I92 HydrophobicContact CG2-CD1 3.71Å; I88-I92 HydrophobicContact CG2-CG1 4.48Å; I88-I92 WeakPolarHBondContact O-CG1 3.28Å; I88-I92 PolarHBondContact O-N 2.74Å
89	L	73.1	Confident	77.2	Confident	65 Å²	65	95 Å²	95	34%	0.34	49%	0.494	S	S	.	.	H	α-helix	trans	-61.1	-42	175.7	-73.8	165.8	0	0	0	111.7	L85 N86 Q91 I92 M93 V108	L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.31Å; L85-L89 PolarHBondContact O-N 3.47Å; N86-L89 PolarHBondContact O-N 2.87Å; L89-Q91 VanDerWaalsContact C-N 3.3Å; L89-Q91 PolarHBondContact O-N 2.9Å; L89-I92 PolarHBondContact O-N 3.45Å; L89-M93 WeakPolarHBondContact O-CB 3.44Å; L89-M93 PolarHBondContact O-N 2.91Å; L89-V108 HydrophobicContact CD1-CG2 3.95Å
90	A	75.5	Confident	76.5	Confident	61 Å²	61	96.2 Å²	96.2	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-30.5	175.3	0	0	0	0	0	113.3	N86 A87 I88 P94	N86-A90 WeakPolarHBondContact O-CB 3.45Å; N86-A90 PolarHBondContact O-N 3.19Å; A87-A90 PolarHBondContact O-N 3.37Å; I88-A90 VanDerWaalsContact C-N 3.34Å; I88-A90 PolarHBondContact O-N 2.89Å; A90-P94 WeakPolarHBondContact O-CD 3.3Å
91	Q	78.3	Confident	75.9	Confident	138 Å²	138	95.9 Å²	95.9	65%	0.645	49%	0.494	S	S	*	.	H	α-helix	trans	-77.1	-29.6	173.8	-73	174.7	-2.2	0	0	113.3	A87 I88 L89 P94 F95	A87-Q91 WeakPolarHBondContact O-CG 3.42Å; A87-Q91 PolarHBondContact O-N 2.74Å; I88-Q91 PolarHBondContact O-N 2.93Å; I88-Q91 VanDerWaalsContact O-N 3.16Å; L89-Q91 VanDerWaalsContact C-N 3.3Å; L89-Q91 PolarHBondContact O-N 2.9Å; Q91-P94 WeakPolarHBondContact O-CD 3.49Å; Q91-F95 WeakPolarHBondContact O-CD2 3.38Å; Q91-F95 WeakPolarHBondContact O-CE2 3.36Å
92	I	75.2	Confident	75.4	Confident	88 Å²	88	98.4 Å²	98.4	45%	0.451	50%	0.504	S	S	.	.	H	α-helix	trans	-83.5	-30.7	178.1	-68.9	171.3	0	0	0	111.7	I88 L89 P94 F95 L96	I88-I92 HydrophobicContact CG2-CD1 3.71Å; I88-I92 HydrophobicContact CG2-CG1 4.48Å; I88-I92 WeakPolarHBondContact O-CG1 3.28Å; I88-I92 PolarHBondContact O-N 2.74Å; L89-I92 PolarHBondContact O-N 3.45Å; I92-P94 VanDerWaalsContact C-N 3.34Å; I92-P94 VanDerWaalsContact O-N 3.17Å; I92-F95 WeakPolarHBondContact O-CB 3.15Å; I92-F95 PolarHBondContact O-N 2.96Å; I92-L96 HydrophobicContact CG2-CD1 3.61Å; I92-L96 WeakPolarHBondContact O-CD1 3.44Å
93	M	68.9	Low	75.3	Confident	55 Å²	55	102.5 Å²	102.5	27%	0.271	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-50.3	-37.3	-177	-170.5	176.5	-70.8	0	0	115.6	L89 F95 Q101 A105	L89-M93 WeakPolarHBondContact O-CB 3.44Å; L89-M93 PolarHBondContact O-N 2.91Å; M93-F95 PolarHBondContact O-N 2.79Å; M93-Q101 HydrophobicContact CG-CG 3.5Å; M93-Q101 VanDerWaalsContact CG-CG 3.5Å; M93-Q101 HydrophobicContact SD-CG 4.28Å; M93-A105 HydrophobicContact CE-CB 4.36Å
94	P	73.6	Confident	74.7	Confident	95 Å²	95	98.6 Å²	98.6	62%	0.617	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-72.4	-8.9	177	-18.5	33.7	0	0	0	115.2	A90 Q91 I92	A90-P94 WeakPolarHBondContact O-CD 3.3Å; Q91-P94 WeakPolarHBondContact O-CD 3.49Å; I92-P94 VanDerWaalsContact C-N 3.34Å; I92-P94 VanDerWaalsContact O-N 3.17Å
95	F	73.1	Confident	74.1	Confident	180 Å²	180	93.1 Å²	93.1	79%	0.789	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-101.8	-0.9	-176.5	-63.2	-83	0	0	0	113.8	Q91 I92 M93	Q91-F95 WeakPolarHBondContact O-CD2 3.38Å; Q91-F95 WeakPolarHBondContact O-CE2 3.36Å; I92-F95 WeakPolarHBondContact O-CB 3.15Å; I92-F95 PolarHBondContact O-N 2.96Å; M93-F95 PolarHBondContact O-N 2.79Å
96	L	68.5	Low	73.8	Confident	70 Å²	70	93.9 Å²	93.9	37%	0.366	49%	0.491	S	S	.	.	S	Bend	trans	-96.5	158.9	174	-80	87.1	0	0	0	111.7	I92 H100 V104	I92-L96 HydrophobicContact CG2-CD1 3.61Å; I92-L96 WeakPolarHBondContact O-CD1 3.44Å; L96-H100 HydrophobicContact CB-CB 4.36Å; L96-H100 HydrophobicContact CD2-CB 3.81Å; L96-V104 HydrophobicContact CD2-CG2 4.47Å
97	S	73.1	Confident	73.4	Confident	68 Å²	68	93 Å²	93	48%	0.476	49%	0.493	S	S	.	.			trans	-65.6	148.4	169.8	58.2	0	0	0	0	111.5	E99 H100 Q101	S97-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact O-N 3.1Å; S97-H100 PolarHBondContact O-N 3.24Å; S97-H100 PolarHBondContact OG-ND1 3.4Å; S97-Q101 PolarHBondContact O-N 2.82Å
98	Q	67.8	Low	73.1	Confident	164 Å²	164	92 Å²	92	77%	0.766	48%	0.481	S	S	*	.	H	α-helix	trans	-55.8	-32.6	-168.7	-162.6	172.1	10.6	0	0	114.3	Q101 Q102	Q98-Q101 WeakPolarHBondContact O-CB 3.27Å; Q98-Q102 PolarHBondContact O-N 3Å
99	E	71.1	Confident	72.8	Confident	159 Å²	159	92 Å²	92	74%	0.743	48%	0.479	S	S	*	.	H	α-helix	trans	-66.6	-51	175.1	-175.4	174.4	-163.5	0	0	112.2	S97 Q101 Q102 Q103	S97-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact O-N 3.1Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 3.48Å; E99-Q102 PolarHBondContact O-N 2.88Å; E99-Q103 PolarHBondContact O-N 3.04Å
100	H	67.4	Low	72.8	Confident	90 Å²	90	96.5 Å²	96.5	42%	0.417	49%	0.492	S	S	.	.	H	α-helix	trans	-65.1	-33.8	175.3	-64.2	122.5	0	0	0	112	L96 S97 Q102 Q103 V104	L96-H100 HydrophobicContact CB-CB 4.36Å; L96-H100 HydrophobicContact CD2-CB 3.81Å; S97-H100 PolarHBondContact O-N 3.24Å; S97-H100 PolarHBondContact OG-ND1 3.4Å; H100-Q102 VanDerWaalsContact C-N 3.3Å; H100-Q102 PolarHBondContact O-N 3.33Å; H100-Q103 PolarHBondContact O-N 2.97Å; H100-V104 WeakPolarHBondContact O-CB 3.28Å; H100-V104 VanDerWaalsContact O-CG2 3.32Å; H100-V104 WeakPolarHBondContact O-CG2 3.49Å; H100-V104 PolarHBondContact O-N 2.78Å
101	Q	69.5	Low	72.4	Confident	70 Å²	70	97 Å²	97	33%	0.327	50%	0.496	S	S	.	.	H	α-helix	trans	-57.1	-44.5	177.5	-164.8	-174.7	-2.2	0	0	111.3	M93 S97 Q98 E99 A105	M93-Q101 HydrophobicContact CG-CG 3.5Å; M93-Q101 VanDerWaalsContact CG-CG 3.5Å; M93-Q101 HydrophobicContact SD-CG 4.28Å; S97-Q101 PolarHBondContact O-N 2.82Å; Q98-Q101 WeakPolarHBondContact O-CB 3.27Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 3.48Å; Q101-A105 WeakPolarHBondContact O-CB 3.36Å; Q101-A105 PolarHBondContact O-N 3.44Å
102	Q	73.9	Confident	71.9	Confident	134 Å²	134	96.1 Å²	96.1	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-73	-36.8	179.1	-159.7	167.7	18.5	0	0	112.2	Q98 E99 H100 A105 Q106	Q98-Q102 PolarHBondContact O-N 3Å; E99-Q102 PolarHBondContact O-N 2.88Å; H100-Q102 VanDerWaalsContact C-N 3.3Å; H100-Q102 PolarHBondContact O-N 3.33Å; Q102-A105 PolarHBondContact O-N 3.14Å; Q102-Q106 WeakPolarHBondContact O-CG 3.19Å; Q102-Q106 PolarHBondContact O-N 2.87Å; Q102-Q106 VanDerWaalsContact O-N 3.08Å
103	Q	74.8	Confident	71.3	Confident	130 Å²	130	98.1 Å²	98.1	61%	0.607	50%	0.498	S	S	*	.	H	α-helix	trans	-64.7	-43.1	175	-166.5	-177.4	30.5	0	0	112.3	E99 H100 Q106 A107	E99-Q103 PolarHBondContact O-N 3.04Å; H100-Q103 PolarHBondContact O-N 2.97Å; Q103-Q106 PolarHBondContact O-N 3.05Å; Q103-A107 WeakPolarHBondContact O-CB 3.36Å; Q103-A107 PolarHBondContact O-N 2.89Å
104	V	72.3	Confident	71.1	Confident	49 Å²	49	99.4 Å²	99.4	30%	0.297	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-42.7	176.3	170.6	0	0	0	0	110.9	L96 H100 Q106 A107 V108	L96-V104 HydrophobicContact CD2-CG2 4.47Å; H100-V104 WeakPolarHBondContact O-CB 3.28Å; H100-V104 VanDerWaalsContact O-CG2 3.32Å; H100-V104 WeakPolarHBondContact O-CG2 3.49Å; H100-V104 PolarHBondContact O-N 2.78Å; V104-Q106 PolarHBondContact O-N 2.94Å; V104-A107 PolarHBondContact O-N 3.45Å; V104-V108 HydrophobicContact CG1-CG2 4.35Å; V104-V108 WeakPolarHBondContact O-CG2 3.22Å; V104-V108 PolarHBondContact O-N 2.78Å
105	A	73.7	Confident	70.6	Confident	39 Å²	39	97.8 Å²	97.8	32%	0.322	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-45	175.7	0	0	0	0	0	112.1	M93 Q101 Q102 A107 V108 E109	M93-A105 HydrophobicContact CE-CB 4.36Å; Q101-A105 WeakPolarHBondContact O-CB 3.36Å; Q101-A105 PolarHBondContact O-N 3.44Å; Q102-A105 PolarHBondContact O-N 3.14Å; A105-A107 PolarHBondContact O-N 2.97Å; A105-V108 PolarHBondContact O-N 2.96Å; A105-E109 PolarHBondContact O-N 3.49Å
106	Q	75.9	Confident	69.6	Low	114 Å²	114	95.8 Å²	95.8	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-35.4	175.1	-71.6	-178.4	6.7	0	0	113.2	Q102 Q103 V104 R110	Q102-Q106 WeakPolarHBondContact O-CG 3.19Å; Q102-Q106 PolarHBondContact O-N 2.87Å; Q102-Q106 VanDerWaalsContact O-N 3.08Å; Q103-Q106 PolarHBondContact O-N 3.05Å; V104-Q106 PolarHBondContact O-N 2.94Å; Q106-R110 WeakPolarHBondContact O-CB 3.14Å; Q106-R110 PolarHBondContact O-N 2.87Å
107	A	72.1	Confident	69.6	Low	47 Å²	47	97.6 Å²	97.6	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-67.6	-41.2	175.7	0	0	0	0	0	112	Q103 V104 A105 A111	Q103-A107 WeakPolarHBondContact O-CB 3.36Å; Q103-A107 PolarHBondContact O-N 2.89Å; V104-A107 PolarHBondContact O-N 3.45Å; A105-A107 PolarHBondContact O-N 2.97Å; A107-A111 WeakPolarHBondContact O-CB 3.22Å; A107-A111 PolarHBondContact O-N 3.34Å
108	V	73.9	Confident	69.3	Low	29 Å²	29	98.9 Å²	98.9	18%	0.176	50%	0.504	C	S	.	.	H	α-helix	trans	-64.9	-42.7	175.1	169.4	0	0	0	0	111.3	L89 V104 A105 A111 K112	L89-V108 HydrophobicContact CD1-CG2 3.95Å; V104-V108 HydrophobicContact CG1-CG2 4.35Å; V104-V108 WeakPolarHBondContact O-CG2 3.22Å; V104-V108 PolarHBondContact O-N 2.78Å; A105-V108 PolarHBondContact O-N 2.96Å; V108-A111 PolarHBondContact O-N 3.24Å; V108-K112 PolarHBondContact O-N 3.33Å
109	E	76.5	Confident	68.9	Low	86 Å²	86	94.6 Å²	94.6	40%	0.402	49%	0.486	S	S	.	.	H	α-helix	trans	-67.6	-40.9	179.2	-153.9	59.6	-140.2	0	0	111.9	A105 A111 K112 Q113	A105-E109 PolarHBondContact O-N 3.49Å; E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 PolarHBondContact O-N 3.27Å; E109-K112 WeakPolarHBondContact O-CB 3.44Å; E109-K112 PolarHBondContact O-N 2.93Å; E109-K112 VanDerWaalsContact O-N 3.15Å; E109-K112 WeakPolarHBondContact OE1-CD 3.5Å; E109-K112 IonicContact OE1-NZ 2.66Å; E109-K112 PolarHBondContact OE1-NZ 3.09Å; E109-K112 IonicContact OE2-NZ 2.72Å; E109-K112 PolarHBondContact OE2-NZ 2.92Å; E109-Q113 WeakPolarHBondContact O-CG 3.31Å; E109-Q113 PolarHBondContact O-N 2.93Å
110	R	74.1	Confident	68.5	Low	161 Å²	161	92 Å²	92	61%	0.608	48%	0.477	S	S	*	.	H	α-helix	trans	-59.4	-39.3	171.3	-169.1	-177.6	-61.6	108.1	2.5	111.8	Q106 K112 Q113	Q106-R110 WeakPolarHBondContact O-CB 3.14Å; Q106-R110 PolarHBondContact O-N 2.87Å; R110-K112 VanDerWaalsContact C-N 3.27Å; R110-K112 PolarHBondContact O-N 2.98Å; R110-Q113 PolarHBondContact O-N 2.77Å; R110-Q113 VanDerWaalsContact O-N 3.1Å
111	A	66.1	Low	68.5	Low	71 Å²	71	90.5 Å²	90.5	59%	0.587	48%	0.48	S	S	*	.	H	α-helix	trans	-70.2	-16.6	178.3	0	0	0	0	0	114.4	A107 V108 E109	A107-A111 WeakPolarHBondContact O-CB 3.22Å; A107-A111 PolarHBondContact O-N 3.34Å; V108-A111 PolarHBondContact O-N 3.24Å; E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 PolarHBondContact O-N 3.27Å
112	K	68.9	Low	68.1	Low	120 Å²	120	92.5 Å²	92.5	52%	0.522	49%	0.492	S	S	.	.	H	α-helix	trans	-80.6	-27	168.5	-64.5	169	-171.4	167.7	0	112.4	V108 E109 R110 V114	V108-K112 PolarHBondContact O-N 3.33Å; E109-K112 WeakPolarHBondContact O-CB 3.44Å; E109-K112 PolarHBondContact O-N 2.93Å; E109-K112 VanDerWaalsContact O-N 3.15Å; E109-K112 WeakPolarHBondContact OE1-CD 3.5Å; E109-K112 IonicContact OE1-NZ 2.66Å; E109-K112 PolarHBondContact OE1-NZ 3.09Å; E109-K112 IonicContact OE2-NZ 2.72Å; E109-K112 PolarHBondContact OE2-NZ 2.92Å; R110-K112 VanDerWaalsContact C-N 3.27Å; R110-K112 PolarHBondContact O-N 2.98Å; K112-V114 VanDerWaalsContact C-N 3.32Å; K112-V114 PolarHBondContact O-N 2.85Å
113	Q	62.8	Low	67.6	Low	130 Å²	130	91.3 Å²	91.3	61%	0.607	49%	0.489	S	S	*	.			trans	-94.7	40.5	-171.5	-64.7	177.3	0.4	0	0	112.4	E109 R110 T115	E109-Q113 WeakPolarHBondContact O-CG 3.31Å; E109-Q113 PolarHBondContact O-N 2.93Å; R110-Q113 PolarHBondContact O-N 2.77Å; R110-Q113 VanDerWaalsContact O-N 3.1Å; Q113-T115 PolarHBondContact O-N 2.89Å; Q113-T115 VanDerWaalsContact O-N 3.14Å
114	V	64.4	Low	66.6	Low	82 Å²	82	88.2 Å²	88.2	50%	0.497	49%	0.491	S	S	.	.			trans	-60.9	116.7	179.3	-178.9	0	0	0	0	109.9	K112 E118	K112-V114 VanDerWaalsContact C-N 3.32Å; K112-V114 PolarHBondContact O-N 2.85Å; V114-E118 HydrophobicContact CG1-CB 4.37Å
115	T	63.6	Low	65.6	Low	60 Å²	60	91.9 Å²	91.9	37%	0.368	51%	0.514	S	S	.	.			trans	-80.5	153.7	-178.1	65.2	0	0	0	0	111.7	Q113 T117 E118 L119	Q113-T115 PolarHBondContact O-N 2.89Å; Q113-T115 VanDerWaalsContact O-N 3.14Å; T115-T117 WeakPolarHBondContact CB-OG1 3.37Å; T115-T117 PolarHBondContact O-N 2.94Å; T115-T117 PolarHBondContact OG1-OG1 3.26Å; T115-E118 WeakPolarHBondContact CB-OE2 3.32Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.39Å; T115-E118 PolarHBondContact N-OE2 2.99Å; T115-E118 PolarHBondContact O-N 3Å; T115-E118 WeakPolarHBondContact OG1-CG 2.98Å; T115-E118 PolarHBondContact OG1-N 3.38Å; T115-E118 PolarHBondContact OG1-OE2 2.93Å; T115-L119 PolarHBondContact O-N 2.9Å
116	M	51.6	Low	64.3	Low	138 Å²	138	100.4 Å²	100.4	68%	0.68	54%	0.538	S	S	*	.	H	α-helix	trans	-59.4	-27.5	174.5	-73.6	-68.7	157.5	0	0	112.7	L119 N120	M116-L119 HydrophobicContact CE-CD2 4.29Å; M116-L119 HydrophobicContact SD-CD2 3.77Å; M116-N120 WeakPolarHBondContact O-CB 3.41Å; M116-N120 VanDerWaalsContact O-CG 3.25Å; M116-N120 PolarHBondContact O-N 3.41Å; M116-N120 PolarHBondContact O-ND2 2.81Å
117	T	67.9	Low	63	Low	109 Å²	109	98.5 Å²	98.5	67%	0.669	55%	0.548	S	S	*	.	H	α-helix	trans	-63.2	-43.9	171	23.8	0	0	0	0	113	T115 A121	T115-T117 WeakPolarHBondContact CB-OG1 3.37Å; T115-T117 PolarHBondContact O-N 2.94Å; T115-T117 PolarHBondContact OG1-OG1 3.26Å; T117-A121 PolarHBondContact O-N 2.93Å
118	E	65.8	Low	61.2	Low	95 Å²	95	104 Å²	104	44%	0.444	57%	0.57	S	S	.	*	H	α-helix	trans	-72.9	-38.5	176.9	-68.2	159.6	123.7	0	0	111.5	V114 T115 N120 A121 I122	V114-E118 HydrophobicContact CG1-CB 4.37Å; T115-E118 WeakPolarHBondContact CB-OE2 3.32Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.39Å; T115-E118 PolarHBondContact N-OE2 2.99Å; T115-E118 PolarHBondContact O-N 3Å; T115-E118 WeakPolarHBondContact OG1-CG 2.98Å; T115-E118 PolarHBondContact OG1-N 3.38Å; T115-E118 PolarHBondContact OG1-OE2 2.93Å; E118-N120 PolarHBondContact O-N 3Å; E118-A121 PolarHBondContact O-N 2.87Å; E118-I122 WeakPolarHBondContact O-CG1 3.18Å; E118-I122 PolarHBondContact O-N 3.49Å
119	L	61	Low	59.9	Low	73 Å²	73	107.9 Å²	107.9	38%	0.382	60%	0.596	S	S	.	*	H	α-helix	trans	-58.1	-47.6	175.1	-168.9	74.1	0	0	0	111.3	T115 M116 A121 I122 I123	T115-L119 PolarHBondContact O-N 2.9Å; M116-L119 HydrophobicContact CE-CD2 4.29Å; M116-L119 HydrophobicContact SD-CD2 3.77Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.39Å; L119-I122 PolarHBondContact O-N 3.16Å; L119-I123 HydrophobicContact CG-CD1 4.17Å; L119-I123 VanDerWaalsContact O-CG1 3.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.93Å
120	N	63	Low	58.3	Low	106 Å²	106	111 Å²	111	57%	0.567	62%	0.615	S	S	*	*	H	α-helix	trans	-64	-36.2	176.7	-75.2	-33.4	0	0	0	112.5	M116 E118 G124	M116-N120 WeakPolarHBondContact O-CB 3.41Å; M116-N120 VanDerWaalsContact O-CG 3.25Å; M116-N120 PolarHBondContact O-N 3.41Å; M116-N120 PolarHBondContact O-ND2 2.81Å; E118-N120 PolarHBondContact O-N 3Å; N120-G124 PolarHBondContact O-N 2.68Å
121	A	67	Low	56.4	Low	58 Å²	58	111.5 Å²	111.5	48%	0.479	63%	0.629	S	S	.	*	H	α-helix	trans	-65.5	-43.1	174.6	0	0	0	0	0	112.1	T117 E118 L119 I123 G124 V125	T117-A121 PolarHBondContact O-N 2.93Å; E118-A121 PolarHBondContact O-N 2.87Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.39Å; A121-I123 PolarHBondContact O-N 2.94Å; A121-G124 PolarHBondContact O-N 3.01Å; A121-V125 WeakPolarHBondContact O-CG2 3.07Å; A121-V125 PolarHBondContact O-N 2.88Å; A121-V125 VanDerWaalsContact O-N 3.1Å
122	I	61.2	Low	55.1	Low	112 Å²	112	113 Å²	113	57%	0.574	63%	0.633	S	S	*	*	H	α-helix	trans	-63.7	-40.9	177.5	-68	163.1	0	0	0	111.2	E118 L119 V125	E118-I122 WeakPolarHBondContact O-CG1 3.18Å; E118-I122 PolarHBondContact O-N 3.49Å; L119-I122 PolarHBondContact O-N 3.16Å; I122-V125 PolarHBondContact O-N 3.42Å
123	I	62.2	Low	53.8	Low	109 Å²	109	114.3 Å²	114.3	56%	0.559	65%	0.645	S	S	*	*	H	α-helix	trans	-63.9	-45.7	175.1	-68	165.6	0	0	0	110.5	L119 A121 V125 R126	L119-I123 HydrophobicContact CG-CD1 4.17Å; L119-I123 VanDerWaalsContact O-CG1 3.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.93Å; A121-I123 PolarHBondContact O-N 2.94Å; I123-V125 VanDerWaalsContact C-N 3.27Å; I123-V125 PolarHBondContact O-N 2.92Å; I123-R126 PolarHBondContact O-N 2.83Å
124	G	53.5	Low	52.8	Low	64 Å²	64	113.9 Å²	113.9	66%	0.66	65%	0.652	S	S	*	*	H	α-helix	trans	-63.7	-25.6	179.1	0	0	0	0	0	115	N120 A121	N120-G124 PolarHBondContact O-N 2.68Å; A121-G124 PolarHBondContact O-N 3.01Å
125	V	51.7	Low	51.6	Low	127 Å²	127	118.4 Å²	118.4	77%	0.77	67%	0.667	S	S	*	*	H	α-helix	trans	-79.8	-24.5	177.9	169.5	0	0	0	0	112.7	A121 I122 I123 G127	A121-V125 WeakPolarHBondContact O-CG2 3.07Å; A121-V125 PolarHBondContact O-N 2.88Å; A121-V125 VanDerWaalsContact O-N 3.1Å; I122-V125 PolarHBondContact O-N 3.42Å; I123-V125 VanDerWaalsContact C-N 3.27Å; I123-V125 PolarHBondContact O-N 2.92Å; V125-G127 PolarHBondContact O-N 3.09Å
126	R	47.2	Very low	50.5	Low	218 Å²	218	123.9 Å²	123.9	82%	0.823	69%	0.689	S	S	*	*	S	Bend	trans	-88.5	75.7	172.7	-90.1	-171.5	167.7	-177.3	-2.4	111.3	I123 L128	I123-R126 PolarHBondContact O-N 2.83Å; R126-L128 PolarHBondContact O-N 2.91Å; R126-L128 VanDerWaalsContact O-N 3.14Å
127	G	48.7	Very low	49.9	Very low	73 Å²	73	125 Å²	125	75%	0.753	69%	0.692	S	S	*	*			trans	-56.5	114.6	177.2	0	0	0	0	0	113.6	V125	V125-G127 PolarHBondContact O-N 3.09Å
128	L	34.8	Very low	48.5	Very low	163 Å²	163	127.7 Å²	127.7	85%	0.853	70%	0.701	S	S	*	*			trans	-128.8	122.2	164.3	-92.3	168.2	0	0	0	108.1	R126	R126-L128 PolarHBondContact O-N 2.91Å; R126-L128 VanDerWaalsContact O-N 3.14Å
129	P	46.8	Very low	47.2	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	72%	0.723	S	S	*	*			trans	-80.7	155.9	-179.3	32.3	-34.3	0	0	0	112.5
130	N	42.1	Very low	46.1	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	74%	0.737	S	S	*	*			trans	68.4	87.6	167.1	-59.6	-11.6	0	0	0	118.4
131	L	33.8	Very low	44.8	Very low	172 Å²	172	136.2 Å²	136.2	90%	0.901	75%	0.751	S	S	*	*				-131.7	147.8	129.4	-99.8	107.3	0	0	0	109.4
132	P	38.4	Very low	43	Very low	102 Å²	102	142.3 Å²	142.3	66%	0.662	77%	0.769	S	S	*	*			trans	-79.6	141	-166.9	30.4	-35.4	0	0	0	114.3	T134	P132-T134 HydrophobicContact CB-CG2 4.41Å; P132-T134 PolarHBondContact O-N 3.12Å
133	L	42.5	Very low	41.9	Very low	149 Å²	149	145.2 Å²	145.2	78%	0.78	78%	0.784	S	S	*	*			trans	-82.1	46.5	-175	-161.1	83.5	0	0	0	113.5
134	T	41	Very low	40.2	Very low	121 Å²	121	144.5 Å²	144.5	74%	0.742	79%	0.789	S	S	*	*			trans	-111	38.6	-163.5	49.5	0	0	0	0	115.6	P132	P132-T134 HydrophobicContact CB-CG2 4.41Å; P132-T134 PolarHBondContact O-N 3.12Å
135	Q	40.3	Very low	39.1	Very low	177 Å²	177	149.8 Å²	149.8	83%	0.827	80%	0.796	S	S	*	*	S	Bend	trans	-134.4	-16.5	168.8	-154.7	166.9	14.4	0	0	115.7	Q137	Q135-Q137 VanDerWaalsContact C-N 3.32Å; Q135-Q137 PolarHBondContact O-N 3.02Å
136	Q	40.3	Very low	38	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-0.6	-178.4	-153.2	174.9	13.3	0	0	114.6
137	Q	37.8	Very low	37.1	Very low	162 Å²	162	142.6 Å²	142.6	76%	0.757	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-10.7	-168.7	-161.9	159.7	1.6	0	0	115.6	Q135	Q135-Q137 VanDerWaalsContact C-N 3.32Å; Q135-Q137 PolarHBondContact O-N 3.02Å
138	L	39.8	Very low	36	Very low	164 Å²	164	148.7 Å²	148.7	86%	0.859	81%	0.805	S	S	*	*	S	Bend	trans	-90.1	-16.3	-177.1	-96.4	165.8	0	0	0	115.3
139	Q	38.8	Very low	35.5	Very low	190 Å²	190	144.4 Å²	144.4	89%	0.888	80%	0.801	S	S	*	*	S	Bend	trans	-89.7	-1.2	179.7	-89.2	173.7	-36.6	0	0	114.7
140	A	37.7	Very low	35.1	Very low	84 Å²	84	145.2 Å²	145.2	69%	0.694	81%	0.806	S	S	*	*	S	Bend	trans	-101.2	0.8	-172	0	0	0	0	0	115.7
141	Q	34.8	Very low	35.1	Very low	180 Å²	180	143.2 Å²	143.2	84%	0.841	80%	0.801	S	S	*	*	S	Bend	trans	-112.3	-2	-171.8	-92.3	-164.9	-16.8	0	0	116.9
142	H	30.4	Very low	34.8	Very low	185 Å²	185	141.3 Å²	141.3	86%	0.856	80%	0.796	S	S	*	*	S	Bend	trans	-103.5	3.3	-173.2	-119.2	-68.4	0	0	0	116
143	L	37.6	Very low	34	Very low	173 Å²	173	145.5 Å²	145.5	91%	0.906	81%	0.807	S	S	*	*	S	Bend	trans	-133.2	31	-167.1	-90.7	165.7	0	0	0	115.7
144	S	27.5	Very low	33.1	Very low	94 Å²	94	145.9 Å²	145.9	66%	0.657	81%	0.809	S	S	*	*	S	Bend	trans	-157.1	141.8	157.9	65.5	0	0	0	0	114
145	H	30.4	Very low	33	Very low	175 Å²	175	145.7 Å²	145.7	81%	0.81	81%	0.81	S	S	*	*			trans	58.5	92	165.4	-57.8	-63.4	0	0	0	120.2
146	A	27.5	Very low	32.7	Very low	97 Å²	97	142.5 Å²	142.5	80%	0.802	80%	0.804	S	S	*	*				-82.3	163	129.6	0	0	0	0	0	110.3
147	A	27.4	Very low	32	Very low	97 Å²	97	143 Å²	143	80%	0.802	81%	0.806	S	S	*	*			trans	70.5	114.6	175.4	0	0	0	0	0	118.1
148	H	27	Very low	31.9	Very low	202 Å²	202	140.6 Å²	140.6	94%	0.935	81%	0.805	S	S	*	*			trans	-88	157.3	166.1	-59.7	-102.6	0	0	0	111.4
149	G	23.7	Very low	31.4	Very low	73 Å²	73	138.7 Å²	138.7	75%	0.753	81%	0.805	S	S	*	*			trans	169.1	126.7	165.3	0	0	0	0	0	115.4
150	P	38.4	Very low	30.8	Very low	126 Å²	126	133.2 Å²	133.2	82%	0.818	80%	0.799	S	S	*	*			trans	-108.7	-165.6	178.1	45.1	-37.2	0	0	0	111.5
151	P	42.8	Very low	30.4	Very low	109 Å²	109	137.9 Å²	137.9	71%	0.708	81%	0.812	S	S	*	*			cis	-135.6	164.6	-4.9	40.2	-22	0	0	0	117.7
152	V	26.8	Very low	29.9	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	81%	0.811	S	S	*	*			trans	25.4	121	138.5	-168.1	0	0	0	0	121.3
153	Q	21.8	Very low	30.8	Very low	190 Å²	190	134 Å²	134	89%	0.888	80%	0.803	S	S	*	*				-177.4	165.6	116.1	-96.5	-165.9	27.8	0	0	114.2
154	L	23	Very low	30.8	Very low	157 Å²	157	131.9 Å²	131.9	82%	0.822	80%	0.8	S	S	*	*			trans	-98.5	176.1	177.8	-77.7	161.2	0	0	0	111
155	P	40.1	Very low	30.8	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	80%	0.801	S	S	*	*			cis	-117.9	-118.3	4.2	39.2	-17.6	0	0	0	110.1
156	P	34.2	Very low	30.8	Very low	110 Å²	110	130.3 Å²	130.3	71%	0.714	81%	0.805	S	S	*	*			cis	-122.1	-158.4	-6.1	43.5	-25.2	0	0	0	114.5
157	H	24.6	Very low	31.6	Very low	186 Å²	186	130.2 Å²	130.2	86%	0.861	80%	0.796	S	S	*	*			trans	-151	172.3	-178.7	-94.7	-48.3	0	0	0	108.6
158	P	35.9	Very low	32.4	Very low	112 Å²	112	131.1 Å²	131.1	73%	0.727	79%	0.794	S	S	*	*			cis	-154.8	177.5	39.8	45.3	-23.7	0	0	0	121.2
159	S	28.3	Very low	32.5	Very low	123 Å²	123	127.3 Å²	127.3	86%	0.86	78%	0.784	S	S	*	*			trans	72.4	122.3	151.1	-62.5	0	0	0	0	121.1
160	G	26.3	Very low	32.6	Very low	75 Å²	75	130.5 Å²	130.5	77%	0.773	79%	0.789	S	S	*	*			trans	-172.5	1	177.1	0	0	0	0	0	121.1
161	L	30.1	Very low	32	Very low	182 Å²	182	127.9 Å²	127.9	95%	0.953	79%	0.785	S	S	*	*			trans	65.6	160.1	175.9	-68.3	165.8	0	0	0	118.7
162	Q	24.3	Very low	31.3	Very low	177 Å²	177	128.2 Å²	128.2	83%	0.827	80%	0.797	S	S	*	*			trans	-162.9	-179	-172.9	-117.6	-165.9	0.3	0	0	107.4
163	P	48.9	Very low	31.3	Very low	107 Å²	107	125.7 Å²	125.7	70%	0.695	80%	0.798	S	S	*	*			cis	-111.2	-143.6	-17.4	43.7	-29.7	0	0	0	108.1
164	P	38.5	Very low	32	Very low	129 Å²	129	123.2 Å²	123.2	84%	0.838	80%	0.802	S	S	*	*			cis	-114.9	-163.2	-22.7	42.9	-27.5	0	0	0	111.1
165	G	27.2	Very low	32.1	Very low	65 Å²	65	119.7 Å²	119.7	67%	0.67	80%	0.803	S	S	*	*			cis	-147.8	166.8	-5.7	0	0	0	0	0	110.6
166	L	29.4	Very low	31.9	Very low	170 Å²	170	121.5 Å²	121.5	89%	0.89	81%	0.805	S	S	*	*			trans	-135.1	172	-152.9	-82.7	173.9	0	0	0	115.5
167	P	45.5	Very low	31.6	Very low	95 Å²	95	124 Å²	124	62%	0.617	81%	0.812	S	S	*	*			trans	-107.1	-157.6	-155.8	41.2	-32.2	0	0	0	114.4	V169	P167-V169 HydrophobicContact CG-CG2 3.99Å
168	P	43.1	Very low	32	Very low	117 Å²	117	119.2 Å²	119.2	76%	0.76	80%	0.804	S	S	*	*				-135.8	157.6	80.3	32.4	-12.6	0	0	0	114.3
169	V	30.1	Very low	31.7	Very low	122 Å²	122	122.4 Å²	122.4	74%	0.739	82%	0.815	S	S	*	*				57.5	138.2	52.7	-97.8	0	0	0	0	116.1	P167	P167-V169 HydrophobicContact CG-CG2 3.99Å
170	T	26.1	Very low	31.7	Very low	140 Å²	140	119.7 Å²	119.7	86%	0.859	81%	0.806	S	S	*	*			cis	-140.8	178.4	11.4	62.9	0	0	0	0	112.7
171	G	26	Very low	32	Very low	70 Å²	70	120.7 Å²	120.7	72%	0.722	81%	0.807	S	S	*	*			trans	145	115.2	146	0	0	0	0	0	120.7
172	A	28.2	Very low	31.9	Very low	116 Å²	116	120.5 Å²	120.5	96%	0.959	81%	0.806	S	S	*	*			trans	6.5	154.6	153.8	0	0	0	0	0	124.5
173	G	26.6	Very low	32	Very low	80 Å²	80	115 Å²	115	83%	0.825	80%	0.797	S	S	*	*			trans	148.3	128.9	152.6	0	0	0	0	0	116
174	S	35.1	Very low	30.9	Very low	138 Å²	138	115.5 Å²	115.5	97%	0.965	80%	0.802	S	S	*	*			trans	-92.9	141.3	168.5	-58.1	0	0	0	0	110.9
175	G	26.2	Very low	30.6	Very low	82 Å²	82	118.5 Å²	118.5	85%	0.845	81%	0.805	S	S	*	*			trans	-152.8	136.9	174.7	0	0	0	0	0	111.6
176	L	34.5	Very low	30.4	Very low	155 Å²	155	122 Å²	122	81%	0.812	81%	0.814	S	S	*	*			trans	-135.5	154.1	-175.9	-136.9	178.7	0	0	0	107.9
177	L	29.3	Very low	30.1	Very low	163 Å²	163	123 Å²	123	85%	0.853	81%	0.814	S	S	*	*			trans	69.8	156.8	179.9	-46.6	174.6	0	0	0	113.6
178	A	32.5	Very low	29.1	Very low	85 Å²	85	125.9 Å²	125.9	70%	0.702	82%	0.823	S	S	*	*			cis	-153.7	146.6	-19.8	0	0	0	0	0	106.6
179	L	30.6	Very low	28.4	Very low	180 Å²	180	125.5 Å²	125.5	94%	0.942	82%	0.821	S	S	*	*				66.2	99.8	68.5	-126.9	175.6	0	0	0	114.2
180	G	27.8	Very low	28.1	Very low	66 Å²	66	125.8 Å²	125.8	68%	0.68	82%	0.822	S	S	*	*			trans	168.1	121.9	171.9	0	0	0	0	0	109
181	A	31.4	Very low	28.1	Very low	95 Å²	95	127.5 Å²	127.5	79%	0.785	82%	0.818	S	S	*	*				70.4	130.4	51.5	0	0	0	0	0	112.2
182	L	28.7	Very low	28.2	Very low	179 Å²	179	130 Å²	130	94%	0.937	82%	0.815	S	S	*	*			cis	-161.4	168.6	7.2	-154.2	81.9	0	0	0	110
183	G	25.7	Very low	28.1	Very low	62 Å²	62	132.2 Å²	132.2	64%	0.639	81%	0.805	S	S	*	*			trans	128.2	96.2	144.6	0	0	0	0	0	121.7
184	S	27.5	Very low	28.2	Very low	116 Å²	116	135 Å²	135	81%	0.811	80%	0.795	S	S	*	*			trans	41.6	106.8	135.8	58.3	0	0	0	0	124
185	Q	30.3	Very low	27.7	Very low	193 Å²	193	135.1 Å²	135.1	90%	0.902	79%	0.785	S	S	*	*			trans	34.7	135.7	134.5	-68.6	-168.2	-8.3	0	0	124.1
186	T	23.1	Very low	27.9	Very low	139 Å²	139	138.7 Å²	138.7	85%	0.853	78%	0.779	S	S	*	*			trans	-144.8	140.6	131.8	31.4	0	0	0	0	112.6
187	H	23.6	Very low	27.6	Very low	191 Å²	191	138.4 Å²	138.4	88%	0.884	77%	0.773	S	S	*	*			trans	35.2	125.5	159.4	-91.6	-93.1	0	0	0	124.8
188	L	23.9	Very low	27.4	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	77%	0.765	S	S	*	*			trans	-69	158	155.2	-88.2	166.7	0	0	0	112.1
189	P	30	Very low	27.2	Very low	109 Å²	109	141 Å²	141	71%	0.708	78%	0.775	S	S	*	*				-158.8	167.8	78.7	43.5	-22.7	0	0	0	120.4
190	V	23.8	Very low	27	Very low	128 Å²	128	139.9 Å²	139.9	78%	0.776	77%	0.765	S	S	*	*			trans	60.2	129.3	163.4	-130.3	0	0	0	0	117
191	K	25.1	Very low	27.1	Very low	175 Å²	175	144 Å²	144	76%	0.761	77%	0.766	S	S	*	*				-175.6	143.5	50.9	-170.8	166	-178.3	-178.6	0	115.5
192	D	27.4	Very low	26.8	Very low	124 Å²	124	148.1 Å²	148.1	66%	0.663	76%	0.761	S	S	*	*			trans	35	139.9	152.4	-55.8	-29.5	0	0	0	126.3
193	E	27.1	Very low	26.7	Very low	161 Å²	161	145.7 Å²	145.7	75%	0.752	75%	0.745	S	S	*	*			trans	67	149.5	154	-68.4	-158.1	116.3	0	0	119.5
194	K	28.4	Very low	26.7	Very low	140 Å²	140	151.3 Å²	151.3	61%	0.609	75%	0.747	S	S	*	*			cis	-157.6	142.2	11.1	-139.3	178.8	-169.8	75.9	0	111.9
195	N	25.6	Very low	26.6	Very low	140 Å²	140	152.6 Å²	152.6	75%	0.749	74%	0.74	S	S	*	*			trans	55.6	142.6	163.4	-59.1	-0	0	0	0	118.3
196	H	29.7	Very low	26.3	Very low	157 Å²	157	148.8 Å²	148.8	73%	0.727	74%	0.735	S	S	*	*			cis	65.7	133.9	42.3	-73.3	19	0	0	0	113.9
197	H	28.5	Very low	26.4	Very low	149 Å²	149	147.2 Å²	147.2	69%	0.69	73%	0.73	S	S	*	*			cis	-144.7	176	7.1	-115.9	-52.2	0	0	0	111.9
198	D	24.9	Very low	26.6	Very low	126 Å²	126	144.3 Å²	144.3	67%	0.674	73%	0.726	S	S	*	*			trans	-55.9	163.9	179.9	-48.5	-103.9	0	0	0	116
199	L	28.9	Very low	26.6	Very low	175 Å²	175	143.8 Å²	143.8	92%	0.916	72%	0.724	S	S	*	*				-163.3	153.7	113.4	-104.7	167	0	0	0	112.6
200	E	25.1	Very low	26.3	Very low	158 Å²	158	145.7 Å²	145.7	74%	0.738	73%	0.728	S	S	*	*			trans	-94.6	174.2	-173.4	-62.2	-177.2	99	0	0	114.5
201	H	30.7	Very low	26.5	Very low	153 Å²	153	144.5 Å²	144.5	71%	0.708	73%	0.725	S	S	*	*			trans	94.3	143.1	130.1	-112.1	-57.6	0	0	0	121.8
202	R	25.5	Very low	26.4	Very low	180 Å²	180	142.4 Å²	142.4	68%	0.679	73%	0.727	S	S	*	*			trans	95.1	111.1	141.2	-90.4	-168.4	131.5	98.4	17.4	121.6
203	E	25.5	Very low	26.4	Very low	129 Å²	129	141.5 Å²	141.5	60%	0.603	73%	0.73	S	S	*	*				68.7	118.8	119	-81	177.8	-177.6	0	0	122.8
204	R	26.1	Very low	26.9	Very low	179 Å²	179	139.3 Å²	139.3	68%	0.675	73%	0.73	S	S	*	*				88	114	113	-170.3	-176.3	-87.4	-89.5	5.2	120.7
205	E	24.8	Very low	26.8	Very low	143 Å²	143	137.5 Å²	137.5	67%	0.668	74%	0.735	S	S	*	*			trans	47.9	117.9	141	-56.1	163.1	160.5	0	0	122.3
206	S	25	Very low	26.6	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	73%	0.733	S	S	*	*				172.2	136.6	121.6	38.4	0	0	0	0	108.9
207	S	25.5	Very low	26.4	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	73%	0.734	S	S	*	*			cis	95.7	145.1	37.4	-62.2	0	0	0	0	113.3
208	T	27	Very low	26.2	Very low	130 Å²	130	134.2 Å²	134.2	80%	0.798	74%	0.735	S	S	*	*			trans	80.7	138.5	-169.4	74.5	0	0	0	0	115.2
209	N	23.8	Very low	26.1	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	74%	0.742	S	S	*	*			cis	-151.2	160.6	-4.3	-116.7	-12.4	0	0	0	115.6
210	N	24.6	Very low	25.8	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	74%	0.738	S	S	*	*			trans	-60.4	166.4	168.4	-74.7	-33.3	0	0	0	113.5
211	S	26.8	Very low	25.8	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	74%	0.735	S	S	*	*			cis	-174.7	-166.4	-5.6	48.2	0	0	0	0	110.3
212	V	24	Very low	25.4	Very low	131 Å²	131	131.4 Å²	131.4	79%	0.794	74%	0.736	S	S	*	*			trans	112.5	141.3	159.4	-176	0	0	0	0	117.2
213	S	26.2	Very low	25.3	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	74%	0.743	S	S	*	*			trans	-146	-174.1	179.6	-47	0	0	0	0	107.4
214	P	38.9	Very low	25.3	Very low	115 Å²	115	132.6 Å²	132.6	75%	0.747	75%	0.746	S	S	*	*			cis	-141.9	-157.8	8	44.9	-24.2	0	0	0	115.3
215	S	24.9	Very low	25.2	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	75%	0.745	S	S	*	*			trans	73.2	147.2	164.6	-78.8	0	0	0	0	117.8
216	D	23.1	Very low	25.2	Very low	134 Å²	134	134.9 Å²	134.9	72%	0.717	76%	0.755	S	S	*	*			cis	-161.1	163.4	-6.2	-129.3	-61.6	0	0	0	111.8
217	S	24.1	Very low	25.1	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	75%	0.754	S	S	*	*			trans	146.8	94	145.3	-67.5	0	0	0	0	118.9
218	L	24.4	Very low	25.1	Very low	138 Å²	138	134.5 Å²	134.5	72%	0.723	75%	0.752	S	S	*	*				51.8	117.8	122.2	-62.3	176.2	0	0	0	125.1
219	R	24.2	Very low	25.2	Very low	216 Å²	216	133 Å²	133	82%	0.815	75%	0.746	S	S	*	*				101.2	150.1	122	-76.1	174.5	178.9	-169.7	1.4	123.8
220	V	22.8	Very low	25.3	Very low	138 Å²	138	133.3 Å²	133.3	84%	0.836	75%	0.748	S	S	*	*			trans	64.3	146.5	171.3	-122.8	0	0	0	0	115
221	S	23.1	Very low	25.5	Very low	96 Å²	96	135 Å²	135	67%	0.671	75%	0.745	S	S	*	*			cis	-149	137.7	9.7	-34.8	0	0	0	0	110.1
222	S	23.9	Very low	25.5	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	75%	0.748	S	S	*	*				74.3	128.8	97.2	77.4	0	0	0	0	119.1
223	E	23.4	Very low	25.8	Very low	178 Å²	178	134.5 Å²	134.5	83%	0.832	75%	0.747	S	S	*	*			trans	69.1	170.5	157.8	-64.2	-158.1	116.2	0	0	120.1
224	K	25.6	Very low	25.8	Very low	156 Å²	156	136.6 Å²	136.6	68%	0.678	75%	0.75	S	S	*	*				-169.6	142.7	-58.9	-140.8	-179.5	176.8	-174.1	0	110.7
225	H	22.8	Very low	25.3	Very low	139 Å²	139	135.5 Å²	135.5	64%	0.644	75%	0.745	S	S	*	*			trans	65.5	130.3	165.2	-67.9	-49.9	0	0	0	116.7
226	R	25	Very low	25.6	Very low	232 Å²	232	137.6 Å²	137.6	88%	0.875	74%	0.741	S	S	*	*				87.5	157.8	65.4	-84.7	-169.1	177	178	-3.2	114.1
227	S	23.3	Very low	26	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	75%	0.747	S	S	*	*			trans	88.8	127.2	-173.2	-142.2	0	0	0	0	112.3
228	S	26.1	Very low	26.2	Very low	100 Å²	100	147 Å²	147	70%	0.699	76%	0.756	S	S	*	*			cis	69	131.9	36.8	-155.4	0	0	0	0	111.2
229	S	29.3	Very low	26.2	Very low	97 Å²	97	149.7 Å²	149.7	68%	0.678	76%	0.762	S	S	*	*			cis	-166.6	170.4	3.1	21.4	0	0	0	0	107.6
230	D	25.7	Very low	26.6	Very low	153 Å²	153	144 Å²	144	82%	0.818	75%	0.751	S	S	*	*			trans	-126.4	155	167.6	-141.8	-25.3	0	0	0	113.2
231	Y	27.6	Very low	26.8	Very low	183 Å²	183	145.6 Å²	145.6	72%	0.718	76%	0.755	S	S	*	*			trans	-120.3	112.1	-170.3	-103.3	-90.9	0	0	0	110.7
232	G	27.3	Very low	27.1	Very low	76 Å²	76	147.9 Å²	147.9	78%	0.784	76%	0.759	S	S	*	*			trans	-86	131.5	167.5	0	0	0	0	0	112.1
233	L	30	Very low	27.3	Very low	147 Å²	147	151.1 Å²	151.1	77%	0.77	76%	0.76	S	S	*	*			trans	-147.9	109.7	161.9	-107.9	176.8	0	0	0	110.7
234	D	26.9	Very low	27.4	Very low	150 Å²	150	148.3 Å²	148.3	80%	0.802	75%	0.751	S	S	*	*			trans	-83.4	153	169	-175.6	12.1	0	0	0	110.3
235	S	28.2	Very low	27.3	Very low	92 Å²	92	147.1 Å²	147.1	64%	0.643	76%	0.762	S	S	*	*			trans	-168.5	109.1	173.2	-86.7	0	0	0	0	113.5
236	K	30.6	Very low	27.4	Very low	145 Å²	145	147.3 Å²	147.3	63%	0.63	77%	0.768	S	S	*	*			trans	-149.2	93.6	153.1	-136.4	173.7	-175.3	-176.1	0	118.7	Y69	Y69-K236 WeakPolarHBondContact OH-CD 3.25Å; Y69-K236 VanDerWaalsContact OH-CE 3.31Å; Y69-K236 WeakPolarHBondContact OH-CE 3.35Å; Y69-K236 PolarHBondContact OH-NZ 3.2Å
237	K	31.2	Very low	27.6	Very low	194 Å²	194	147.2 Å²	147.2	84%	0.843	77%	0.768	S	S	*	*				25.8	125.1	128.7	-95.9	177.2	174.2	169.4	0	119.5
238	R	28.5	Very low	27.9	Very low	244 Å²	244	145.3 Å²	145.3	92%	0.921	77%	0.765	S	S	*	*				-172.9	154	128.8	-101	154.2	-175.8	-170	2	109
239	K	25.4	Very low	28	Very low	193 Å²	193	150.9 Å²	150.9	84%	0.839	77%	0.773	S	S	*	*			cis	-145.3	169.1	3.2	-157.9	-171.8	171.9	-157.4	0	109.8
240	V	31.6	Very low	28	Very low	98 Å²	98	153.1 Å²	153.1	59%	0.594	78%	0.777	S	S	*	*			trans	-87.6	148.7	174.1	171.6	0	0	0	0	111.2
241	D	27.2	Very low	28.3	Very low	170 Å²	170	151 Å²	151	91%	0.909	77%	0.774	S	S	*	*			trans	-131.3	144.3	145.7	-103.4	-54.6	0	0	0	108.7
242	D	29.4	Very low	28.6	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	78%	0.78	S	S	*	*			trans	-109.5	130.6	-172.8	-85.8	-67.2	0	0	0	111.8
243	K	27.8	Very low	28.8	Very low	171 Å²	171	150 Å²	150	74%	0.743	78%	0.782	S	S	*	*			trans	-172.3	151.2	136.9	-114	177	158.3	-77.4	0	117.4
244	D	26.8	Very low	29.3	Very low	119 Å²	119	152 Å²	152	64%	0.636	79%	0.788	S	S	*	*			trans	52	94.6	149.2	-55.9	-23.3	0	0	0	120
245	S	23.4	Very low	29.4	Very low	131 Å²	131	154.1 Å²	154.1	92%	0.916	79%	0.79	S	S	*	*				-172.4	151.1	117.8	-82	0	0	0	0	112.6
246	N	24.5	Very low	29.8	Very low	144 Å²	144	154.1 Å²	154.1	77%	0.77	79%	0.79	S	S	*	*			trans	-144.8	151.9	-178.6	-176.6	8.9	0	0	0	110.6
247	R	29	Very low	29.9	Very low	230 Å²	230	154.8 Å²	154.8	87%	0.868	80%	0.801	S	S	*	*			trans	80.6	139.5	171.9	-47.9	177.1	179.8	-155.7	-1.6	117.4
248	G	28.5	Very low	30.1	Very low	70 Å²	70	152.1 Å²	152.1	72%	0.722	80%	0.796	S	S	*	*			trans	158.3	81.3	160.7	0	0	0	0	0	117.4
249	Y	30.1	Very low	30.5	Very low	217 Å²	217	148.6 Å²	148.6	85%	0.851	79%	0.794	S	S	*	*			trans	14.8	113.7	154	-65.3	-87.2	0	0	0	121.8
250	D	29	Very low	30.9	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	79%	0.79	S	S	*	*				39.9	126.6	91.2	-160.9	17.3	0	0	0	120.1
251	S	32.3	Very low	31.2	Very low	109 Å²	109	146.7 Å²	146.7	76%	0.762	80%	0.798	S	S	*	*			trans	172.1	152.2	134.8	-164	0	0	0	0	114.1
252	D	32.8	Very low	31.3	Very low	158 Å²	158	145.7 Å²	145.7	85%	0.845	79%	0.793	S	S	*	*			trans	-74.5	177.5	-173.6	-49.2	-88.8	0	0	0	117.8
253	G	30.9	Very low	31.4	Very low	80 Å²	80	144.3 Å²	144.3	83%	0.825	79%	0.789	S	S	*	*			trans	171	87.5	158.4	0	0	0	0	0	117.2
254	E	40.8	Very low	31.6	Very low	189 Å²	189	142 Å²	142	88%	0.883	80%	0.795	S	S	*	*			trans	-73.6	152.8	165.9	-68.9	-174.7	93.4	0	0	113.1
255	K	30	Very low	31.8	Very low	194 Å²	194	143.3 Å²	143.3	84%	0.843	80%	0.802	S	S	*	*			trans	-176.7	126.5	132.6	-103.7	161.8	-176.3	175	0	115.3
256	S	35.9	Very low	32	Very low	93 Å²	93	146.5 Å²	146.5	65%	0.65	80%	0.802	S	S	*	*				24.3	148	126.7	66.7	0	0	0	0	119.9
257	D	33.5	Very low	32.3	Very low	159 Å²	159	147 Å²	147	85%	0.85	81%	0.805	S	S	*	*			cis	-170.7	-178.9	27.9	-136	-35.9	0	0	0	112.3
258	D	34.5	Very low	33.2	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	80%	0.797	S	S	*	*			trans	-84.7	153.8	-176	-126	-31.2	0	0	0	115.7
259	L	37.8	Very low	33.1	Very low	170 Å²	170	142.7 Å²	142.7	89%	0.89	80%	0.802	S	S	*	*			trans	-153.1	115.6	158.2	-83.1	-171.2	0	0	0	113.7
260	V	34.1	Very low	33.2	Very low	124 Å²	124	138.4 Å²	138.4	75%	0.752	80%	0.799	S	S	*	*			trans	-92.2	162.6	155.9	-68	0	0	0	0	108.8
261	V	35.9	Very low	33.6	Very low	126 Å²	126	137.8 Å²	137.8	76%	0.764	80%	0.803	S	S	*	*			cis	-143	-172.6	29.7	-77.5	0	0	0	0	108.7
262	D	29.7	Very low	33.3	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	81%	0.807	S	S	*	*			cis	-161	178.7	25.7	-150	-15.2	0	0	0	113.3
263	V	31.5	Very low	32.9	Very low	115 Å²	115	142.5 Å²	142.5	70%	0.697	81%	0.808	S	S	*	*			trans	-104	149.4	-170.9	177.6	0	0	0	0	112.9
264	S	32.4	Very low	33.4	Very low	123 Å²	123	144 Å²	144	86%	0.86	81%	0.806	S	S	*	*			trans	-152.6	135.3	157.5	-76.4	0	0	0	0	111.8
265	N	31	Very low	33.3	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	80%	0.802	S	S	*	*			trans	-89.4	149.9	175.1	-75.6	-17.2	0	0	0	111.3
266	E	28.8	Very low	33.3	Very low	198 Å²	198	135.1 Å²	135.1	93%	0.925	79%	0.791	S	S	*	*				-178.5	164.5	108.7	-93.6	-169.7	140	0	0	111.2
267	D	29.4	Very low	32.9	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	80%	0.799	S	S	*	*			trans	-153.4	175.8	-165.4	-153.6	21.4	0	0	0	107.1
268	P	48.3	Very low	32.6	Very low	107 Å²	107	136.8 Å²	136.8	70%	0.695	79%	0.794	S	S	*	*			cis	-134.5	175	-10.6	42.3	-26.6	0	0	0	115.6
269	A	26	Very low	33.6	Very low	102 Å²	102	133 Å²	133	84%	0.843	78%	0.777	S	S	*	*			trans	-156.7	143.8	152.1	0	0	0	0	0	113.2
270	T	31.6	Very low	33.9	Very low	127 Å²	127	129.1 Å²	129.1	78%	0.779	76%	0.762	S	S	*	*			trans	-122.3	170.9	177.9	59.9	0	0	0	0	112
271	P	38	Very low	33.7	Very low	132 Å²	132	128 Å²	128	86%	0.857	75%	0.749	S	S	*	*				-130.1	158.3	129.4	37	-29.9	0	0	0	114.8
272	R	26.4	Very low	33.4	Very low	223 Å²	223	128.9 Å²	128.9	84%	0.842	75%	0.749	S	S	*	*			trans	-97	155.3	-178.9	-65.7	162.4	149.9	162.4	-9.3	113
273	V	24.5	Very low	33.2	Very low	143 Å²	143	125.2 Å²	125.2	87%	0.867	75%	0.746	S	S	*	*			trans	-149.1	134.5	133.2	-175.9	0	0	0	0	110.3
274	S	40.8	Very low	33.1	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	76%	0.755	S	S	*	*			trans	148.5	155.8	167.6	-79.3	0	0	0	0	109.1
275	P	39.8	Very low	32.8	Very low	122 Å²	122	128.6 Å²	128.6	79%	0.792	75%	0.75	S	S	*	*			cis	-156.9	-172	46.5	44.6	-22.3	0	0	0	119.9
276	A	28.7	Very low	32.6	Very low	74 Å²	74	130.1 Å²	130.1	61%	0.612	75%	0.75	S	S	*	*			trans	92.2	112.9	135.2	0	0	0	0	0	124.1
277	H	28.4	Very low	32.4	Very low	181 Å²	181	126.4 Å²	126.4	84%	0.838	75%	0.745	S	S	*	*				47	151.7	109.1	-56.4	-54.5	0	0	0	122.6
278	S	26.3	Very low	32.2	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	75%	0.75	S	S	*	*			cis	-166.2	-135.8	-19.7	48.8	0	0	0	0	111.9
279	P	56.2	Low	31.2	Very low	58 Å²	58	131.8 Å²	131.8	38%	0.377	76%	0.755	S	S	.	*			trans	-112.9	-169.2	-133.5	45.3	-29.3	0	0	0	116.9	P10	P10-P279 HydrophobicContact CB-CB 3.64Å; P10-P279 HydrophobicContact CB-CG 3.35Å
280	P	44.3	Very low	31.4	Very low	89 Å²	89	133.6 Å²	133.6	58%	0.578	75%	0.749	S	S	*	*				-141.1	-142.4	112.8	40.3	-25.2	0	0	0	114.8	P10	P10-P280 VanDerWaalsContact CB-O 3.31Å; P10-P280 WeakPolarHBondContact CB-O 3.31Å
281	E	30.1	Very low	31.2	Very low	102 Å²	102	135.7 Å²	135.7	48%	0.477	75%	0.748	S	S	.	*			trans	-139.8	148.2	-148.2	-169.5	-173.9	157.1	0	0	117.6	P10	P10-E281 HydrophobicContact CB-CB 4.23Å; P10-E281 HydrophobicContact CG-CB 3.84Å; P10-E281 HydrophobicContact CG-CG 3.91Å
282	N	28.5	Very low	30.5	Very low	144 Å²	144	136.6 Å²	136.6	77%	0.77	74%	0.738	S	S	*	*			trans	33.2	140.1	155	-68.2	-40.3	0	0	0	124.5
283	G	26	Very low	30.5	Very low	71 Å²	71	132 Å²	132	73%	0.732	73%	0.731	S	S	*	*			trans	168.8	58.9	158.9	0	0	0	0	0	121.9
284	L	30.5	Very low	30.6	Very low	169 Å²	169	129.9 Å²	129.9	89%	0.885	73%	0.727	S	S	*	*			trans	64.1	140.4	152.7	-66.3	173.2	0	0	0	124.2
285	D	25.2	Very low	30	Very low	141 Å²	141	128.9 Å²	128.9	75%	0.754	73%	0.726	S	S	*	*			trans	84.4	164.6	139.2	-108.5	-52.8	0	0	0	126
286	K	27.4	Very low	30.3	Very low	179 Å²	179	128.2 Å²	128.2	78%	0.778	72%	0.722	S	S	*	*			trans	-100.4	166.2	-159.4	-67.2	173.1	177.9	169.8	0	115.2
287	S	24.2	Very low	30.3	Very low	120 Å²	120	131.9 Å²	131.9	84%	0.839	73%	0.731	S	S	*	*			trans	88	127.4	145.2	81	0	0	0	0	118.9
288	R	25.4	Very low	30.4	Very low	242 Å²	242	128.7 Å²	128.7	91%	0.913	73%	0.729	S	S	*	*			trans	-158	123.2	154.5	-124.1	178.8	-177.2	179	1.4	110.1
289	V	27.4	Very low	31.6	Very low	132 Å²	132	129.3 Å²	129.3	80%	0.8	73%	0.731	S	S	*	*			trans	-143.3	157.3	165.8	-179.6	0	0	0	0	106.1
290	L	29.6	Very low	30.2	Very low	140 Å²	140	130.8 Å²	130.8	73%	0.733	75%	0.748	S	S	*	*			trans	75.3	138.2	-171.6	-47.9	178.7	0	0	0	112.5
291	K	26.5	Very low	29.7	Very low	170 Å²	170	131.5 Å²	131.5	74%	0.739	76%	0.755	S	S	*	*			cis	-150.4	135.2	-0.8	-111.7	157.2	-178.4	179.1	0	105.9
292	K	25.2	Very low	29.7	Very low	151 Å²	151	133.3 Å²	133.3	66%	0.657	77%	0.773	S	S	*	*				97.4	143.7	72.6	-172.3	-159.7	175.8	-72.3	0	110.3
293	D	25.5	Very low	29.5	Very low	128 Å²	128	131.2 Å²	131.2	68%	0.684	78%	0.775	S	S	*	*			trans	72	136.7	175.7	-53.9	-44.3	0	0	0	115
294	A	26.6	Very low	29.8	Very low	97 Å²	97	132.7 Å²	132.7	80%	0.802	77%	0.774	S	S	*	*			cis	-149.6	168.9	-7.4	0	0	0	0	0	111.6
295	A	27.6	Very low	29.9	Very low	92 Å²	92	131 Å²	131	76%	0.76	78%	0.777	S	S	*	*			trans	-100.7	176.3	163.7	0	0	0	0	0	109.4
296	P	46.9	Very low	30.2	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	78%	0.777	S	S	*	*			cis	-132.2	-168.3	2	30.1	-5.8	0	0	0	113.8
297	N	27.9	Very low	30.3	Very low	151 Å²	151	125.2 Å²	125.2	81%	0.807	78%	0.781	S	S	*	*			trans	133.2	114.9	143.2	-66.5	-19	0	0	0	115.9
298	S	30.8	Very low	30.9	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	78%	0.781	S	S	*	*			trans	-91.9	-177.1	149.3	-45.4	0	0	0	0	108.4
299	P	51.3	Low	31.6	Very low	118 Å²	118	120 Å²	120	77%	0.766	77%	0.774	S	S	*	*			cis	-137.1	-159.1	0.1	42.9	-23.4	0	0	0	114.1
300	A	26.9	Very low	31.8	Very low	88 Å²	88	119 Å²	119	73%	0.727	77%	0.773	S	S	*	*			trans	74.7	153.2	156.3	0	0	0	0	0	118.5
301	S	33.4	Very low	32.1	Very low	104 Å²	104	116.7 Å²	116.7	73%	0.727	77%	0.768	S	S	*	*			cis	-171.5	170.9	-17.5	-98.7	0	0	0	0	112.3
302	V	30.8	Very low	32.1	Very low	141 Å²	141	117.7 Å²	117.7	86%	0.855	77%	0.772	S	S	*	*			trans	58.4	126.4	156.1	-68.5	0	0	0	0	123
303	A	25.1	Very low	32.3	Very low	100 Å²	100	114.9 Å²	114.9	83%	0.826	78%	0.778	S	S	*	*				171	164.9	127.3	0	0	0	0	0	110.8
304	S	30.9	Very low	32.3	Very low	101 Å²	101	117.9 Å²	117.9	71%	0.706	79%	0.785	S	S	*	*				173.7	133.9	-51.4	-92.3	0	0	0	0	109.2
305	S	33.3	Very low	32.3	Very low	135 Å²	135	118.7 Å²	118.7	94%	0.944	78%	0.775	S	S	*	*			trans	57.2	161.1	176	45	0	0	0	0	115.6
306	G	30.7	Very low	32.3	Very low	74 Å²	74	121.7 Å²	121.7	76%	0.763	77%	0.773	S	S	*	*			cis	158.9	166.5	15.1	0	0	0	0	0	105.3
307	S	30.2	Very low	31.1	Very low	123 Å²	123	122.3 Å²	122.3	86%	0.86	78%	0.776	S	S	*	*			cis	-163.4	168.1	4.9	48.6	0	0	0	0	109.6
308	T	36.1	Very low	31.1	Very low	134 Å²	134	123.8 Å²	123.8	82%	0.822	78%	0.777	S	S	*	*			trans	-115.2	164.8	179.4	54.5	0	0	0	0	114.1
309	P	40.3	Very low	30.9	Very low	119 Å²	119	123.7 Å²	123.7	77%	0.773	77%	0.768	S	S	*	*			trans	-135.6	155.7	133.1	36.3	-23.8	0	0	0	112.5
310	S	32.3	Very low	29.7	Very low	112 Å²	112	122.7 Å²	122.7	78%	0.783	76%	0.756	S	S	*	*			cis	84	130.5	25.5	-164.6	0	0	0	0	113.8
311	S	34.8	Very low	29.8	Very low	90 Å²	90	127 Å²	127	63%	0.629	76%	0.758	S	S	*	*			cis	-162.9	-174.5	-2.6	54.2	0	0	0	0	108.9
312	K	28.3	Very low	29.6	Very low	191 Å²	191	126.9 Å²	126.9	83%	0.83	76%	0.758	S	S	*	*			cis	-160.5	139.9	6.7	-118.5	144.5	-164.9	175.7	0	106.6
313	A	27.7	Very low	29.4	Very low	93 Å²	93	125.3 Å²	125.3	77%	0.769	75%	0.753	S	S	*	*				76.3	125.2	84.8	0	0	0	0	0	119.4
314	K	27.2	Very low	29.9	Very low	190 Å²	190	126.8 Å²	126.8	83%	0.826	75%	0.752	S	S	*	*			trans	114.7	118.2	138.8	-155	179.1	178.8	-173.9	0	121.9
315	D	25.6	Very low	30.3	Very low	114 Å²	114	127.6 Å²	127.6	61%	0.61	75%	0.754	S	S	*	*			trans	54.5	134.9	147.7	-73.4	-57	0	0	0	128.3
316	H	27.7	Very low	30	Very low	155 Å²	155	125.7 Å²	125.7	72%	0.718	74%	0.741	S	S	*	*			trans	84	115.8	132.2	-86.1	58.7	0	0	0	125.3
317	T	22.9	Very low	30.2	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	74%	0.743	S	S	*	*			trans	69.7	133.8	134.9	54.6	0	0	0	0	125.3
318	H	27.5	Very low	30.1	Very low	181 Å²	181	132.4 Å²	132.4	84%	0.838	74%	0.74	S	S	*	*			trans	110.2	147.3	139.4	-133.2	-85.6	0	0	0	121
319	N	25	Very low	29.8	Very low	114 Å²	114	130 Å²	130	61%	0.61	73%	0.729	S	S	*	*			trans	-92.9	147.8	-164	-176	64.3	0	0	0	113.6
320	D	26.3	Very low	29	Very low	97 Å²	97	131.5 Å²	131.5	52%	0.519	73%	0.731	S	S	.	*				166.9	137.5	114.6	-107.2	-71.1	0	0	0	116.2
321	K	29.8	Very low	28.9	Very low	178 Å²	178	132.4 Å²	132.4	77%	0.774	73%	0.732	S	S	*	*			trans	65.2	156.5	150.2	-73.8	170.1	-171.4	82.2	0	119
322	S	29	Very low	29.7	Very low	102 Å²	102	133 Å²	133	71%	0.713	73%	0.733	S	S	*	*			cis	-150.5	160.1	3.5	52.5	0	0	0	0	115.5
323	S	27	Very low	29.9	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	73%	0.73	S	S	*	*			trans	65.5	107.9	139.4	60.8	0	0	0	0	123
324	T	36	Very low	31.3	Very low	130 Å²	130	130.8 Å²	130.8	80%	0.798	73%	0.728	S	S	*	*			trans	-93.4	166.1	148.1	52.6	0	0	0	0	112.2
325	P	39.1	Very low	31.3	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	73%	0.732	S	S	*	*			trans	-124.3	130	138.7	9.7	11.7	0	0	0	111.2
326	S	27.6	Very low	31.7	Very low	96 Å²	96	134.5 Å²	134.5	67%	0.671	74%	0.739	S	S	*	*			cis	87	146.3	48.4	78.9	0	0	0	0	113.7
327	L	34.5	Very low	31.6	Very low	153 Å²	153	135.5 Å²	135.5	80%	0.801	75%	0.745	S	S	*	*			cis	-111.7	-125.7	13	-65.3	160.3	0	0	0	111.6
328	K	27.9	Very low	32.1	Very low	184 Å²	184	134 Å²	134	80%	0.8	74%	0.744	S	S	*	*			cis	-172.9	174.4	-5.7	-126.6	-176.2	177.7	-179.4	0	105
329	S	29.8	Very low	33.2	Very low	85 Å²	85	131.4 Å²	131.4	59%	0.594	74%	0.744	S	S	*	*			cis	177.3	150.6	-29.2	45.2	0	0	0	0	106.9
330	N	24.1	Very low	33.5	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	75%	0.753	S	S	*	*			cis	-162.2	175.4	-2.5	-114	56.4	0	0	0	110.1
331	T	29.5	Very low	34.3	Very low	130 Å²	130	134 Å²	134	80%	0.798	77%	0.769	S	S	*	*			trans	-161.1	-175.7	-172.8	23.4	0	0	0	0	110.5
332	P	50.7	Low	34.2	Very low	103 Å²	103	128.3 Å²	128.3	67%	0.669	76%	0.761	S	S	*	*			cis	-134	-143.8	-9.6	23.4	5	0	0	0	113.2
333	T	32.7	Very low	34.4	Very low	123 Å²	123	130.4 Å²	130.4	76%	0.755	77%	0.77	S	S	*	*			trans	81.7	167.4	148.6	54.8	0	0	0	0	121.8
334	P	57.9	Low	34.5	Very low	114 Å²	114	129.9 Å²	129.9	74%	0.74	77%	0.767	S	S	*	*			cis	-147.1	173	-41.6	40	-23	0	0	0	117.8
335	R	27.6	Very low	34	Very low	239 Å²	239	130.1 Å²	130.1	90%	0.902	77%	0.768	S	S	*	*			trans	-174.4	125.6	136.2	-109.6	175.8	163.9	164.5	-4.9	109.8
336	N	32.4	Very low	33.4	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	77%	0.77	S	S	*	*				68.4	135.8	70.5	-110.4	44.2	0	0	0	114.4
337	E	26.8	Very low	34.2	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	78%	0.777	S	S	*	*			cis	-138	-174.3	24	-54.1	-165.2	128.8	0	0	115.8
338	A	32.7	Very low	33.8	Very low	88 Å²	88	128.1 Å²	128.1	73%	0.727	77%	0.772	S	S	*	*			trans	-144.7	177.6	175.5	0	0	0	0	0	110.7
339	P	49.9	Very low	33.8	Very low	128 Å²	128	127.9 Å²	127.9	83%	0.831	78%	0.778	S	S	*	*				-153.4	180	89.8	39.5	-18.9	0	0	0	118.3
340	T	31.6	Very low	33.9	Very low	133 Å²	133	135 Å²	135	82%	0.816	79%	0.792	S	S	*	*			trans	-91.5	-171.2	-177.6	46.5	0	0	0	0	112.7
341	P	43.2	Very low	35.1	Very low	131 Å²	131	132.9 Å²	132.9	85%	0.851	79%	0.787	S	S	*	*			cis	-141.3	-174.7	21.2	43	-21.3	0	0	0	117.4
342	G	29.1	Very low	35	Very low	59 Å²	59	134.2 Å²	134.2	61%	0.608	79%	0.788	S	S	*	*			cis	160.1	167.4	-12.1	0	0	0	0	0	114.4
343	T	32	Very low	33.8	Very low	147 Å²	147	133.8 Å²	133.8	90%	0.902	79%	0.788	S	S	*	*			trans	70.8	152.1	165.8	64.8	0	0	0	0	120
344	S	28.9	Very low	33.4	Very low	97 Å²	97	137.2 Å²	137.2	68%	0.678	80%	0.798	S	S	*	*			cis	-171.1	178.9	-21.5	57.1	0	0	0	0	113
345	T	25.8	Very low	31.9	Very low	135 Å²	135	135.6 Å²	135.6	83%	0.828	80%	0.801	S	S	*	*			trans	96.3	154	162	73.4	0	0	0	0	122.6
346	T	27.6	Very low	31.9	Very low	131 Å²	131	133.9 Å²	133.9	80%	0.804	80%	0.8	S	S	*	*			trans	-150.7	-171.1	178.1	63.9	0	0	0	0	106.9
347	P	43.2	Very low	32.8	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	80%	0.797	S	S	*	*			cis	-132.6	-171.4	-11.6	42.4	-25.7	0	0	0	113.9
348	G	25.4	Very low	33.5	Very low	68 Å²	68	129.4 Å²	129.4	70%	0.701	80%	0.795	S	S	*	*			trans	157.2	117.4	152.3	0	0	0	0	0	121.3
349	L	29.7	Very low	33.1	Very low	179 Å²	179	128.5 Å²	128.5	94%	0.937	79%	0.793	S	S	*	*			trans	75	145	143.7	-53.8	180	0	0	0	123.8
350	R	32.1	Very low	32.1	Very low	235 Å²	235	130.9 Å²	130.9	89%	0.887	80%	0.796	S	S	*	*			trans	-151.7	-171.1	168.9	-77.8	-171.2	170.9	-173.4	-1.3	105.1
351	P	49.3	Very low	31.8	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	79%	0.793	S	S	*	*			cis	-139	-157.8	1.1	30.7	-3.6	0	0	0	115
352	L	25.6	Very low	31	Very low	157 Å²	157	130.1 Å²	130.1	82%	0.822	79%	0.786	S	S	*	*			trans	85.9	149.9	160.8	-49.9	-178.5	0	0	0	118.3
353	S	25.4	Very low	30.9	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	80%	0.801	S	S	*	*			cis	-174.3	148.1	-28.4	56.1	0	0	0	0	112.5
354	M	24.4	Very low	30.6	Very low	196 Å²	196	133.9 Å²	133.9	97%	0.966	80%	0.8	S	S	*	*			trans	59.8	143.8	150.7	-72.2	-87.4	-91.3	0	0	121.3
355	G	26.9	Very low	30.4	Very low	79 Å²	79	133.7 Å²	133.7	81%	0.814	81%	0.805	S	S	*	*			trans	151.4	123.1	162.1	0	0	0	0	0	116.5
356	K	26.9	Very low	31.2	Very low	203 Å²	203	133 Å²	133	88%	0.883	80%	0.802	S	S	*	*			trans	-161.5	174.7	177.7	-135	-158.5	179.1	-178.6	0	108
357	P	51.6	Low	31.1	Very low	107 Å²	107	130.6 Å²	130.6	70%	0.695	80%	0.796	S	S	*	*				-105.6	-123.2	-62.5	35.3	-15.9	0	0	0	108.3
358	P	41.7	Very low	30.3	Very low	120 Å²	120	131.4 Å²	131.4	78%	0.779	79%	0.793	S	S	*	*			cis	-128	-179.8	-44.8	37.8	-21.9	0	0	0	114.8
359	G	24.3	Very low	30.3	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	80%	0.799	S	S	*	*				118.2	136.6	129.1	0	0	0	0	0	120.1
360	M	30.4	Very low	30.3	Very low	179 Å²	179	136 Å²	136	88%	0.882	79%	0.791	S	S	*	*			trans	58.5	161.8	155.7	-70.9	175.3	123.3	0	0	119.1
361	E	24.6	Very low	30.6	Very low	163 Å²	163	130.5 Å²	130.5	76%	0.762	79%	0.785	S	S	*	*			cis	-166.3	-170.4	-40.8	-150	178.5	-177.4	0	0	106.6
362	A	26.6	Very low	29.5	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	79%	0.794	S	S	*	*			trans	65.9	117	177.4	0	0	0	0	0	116.2
363	L	26.3	Very low	29.6	Very low	177 Å²	177	131.3 Å²	131.3	93%	0.927	79%	0.793	S	S	*	*				73.5	97.8	61.4	-67.1	168.6	0	0	0	114.5
364	A	26.8	Very low	29.8	Very low	108 Å²	108	135 Å²	135	89%	0.893	80%	0.803	S	S	*	*			trans	-175.8	141.3	135.9	0	0	0	0	0	113.3
365	A	24.5	Very low	29.8	Very low	94 Å²	94	130.5 Å²	130.5	78%	0.777	80%	0.797	S	S	*	*			trans	-140	175.3	152.9	0	0	0	0	0	106.1
366	P	42.1	Very low	29.7	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	79%	0.794	S	S	*	*			cis	-133.5	-161.8	-3.9	33.8	-11.2	0	0	0	113
367	A	24.7	Very low	29.6	Very low	82 Å²	82	125.6 Å²	125.6	68%	0.678	79%	0.788	S	S	*	*			trans	91.4	131.8	138.1	0	0	0	0	0	123.3
368	L	26.3	Very low	28.4	Very low	142 Å²	142	131.1 Å²	131.1	74%	0.743	80%	0.796	S	S	*	*			trans	82	115.2	144.3	-66.3	161.4	0	0	0	123.7
369	R	27	Very low	27.6	Very low	219 Å²	219	129.9 Å²	129.9	83%	0.826	80%	0.796	S	S	*	*			trans	72.3	106	133.2	-68.5	179.9	178.6	-172.8	-0.5	122.7
370	T	29	Very low	27.7	Very low	124 Å²	124	131.9 Å²	131.9	76%	0.761	80%	0.8	S	S	*	*				20	140.9	118.5	56.6	0	0	0	0	120.5
371	P	38.4	Very low	28.7	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	79%	0.79	S	S	*	*				-148.9	144.6	97.9	38.2	-21.9	0	0	0	119.3
372	L	26.7	Very low	28.8	Very low	167 Å²	167	130 Å²	130	87%	0.874	80%	0.795	S	S	*	*			trans	29.1	124.7	137.1	-71.8	154.9	0	0	0	124.2
373	S	26.2	Very low	28.7	Very low	113 Å²	113	130.1 Å²	130.1	79%	0.79	80%	0.796	S	S	*	*				176.1	154	127	33.6	0	0	0	0	108.8
374	I	29.4	Very low	28.7	Very low	172 Å²	172	129.8 Å²	129.8	88%	0.882	79%	0.792	S	S	*	*			cis	-142.8	177.3	8.1	-121.3	154.2	0	0	0	109
375	A	25.4	Very low	28.6	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	79%	0.789	S	S	*	*			trans	-123.4	161.9	-163.2	0	0	0	0	0	118
376	G	24.3	Very low	28.6	Very low	72 Å²	72	131.2 Å²	131.2	74%	0.742	78%	0.782	S	S	*	*			trans	121.7	159.9	158.6	0	0	0	0	0	116.5
377	S	25.8	Very low	28	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	78%	0.784	S	S	*	*			cis	-171.2	135.1	-31.5	-118.6	0	0	0	0	113.1
378	Y	26.3	Very low	28.1	Very low	222 Å²	222	137.3 Å²	137.3	87%	0.871	79%	0.786	S	S	*	*			trans	68.7	132.6	160.1	-74.6	-75.5	0	0	0	124.6
379	A	25.6	Very low	27.9	Very low	95 Å²	95	138.5 Å²	138.5	79%	0.785	79%	0.788	S	S	*	*			trans	80.4	145.5	137.7	0	0	0	0	0	123.7
380	S	25.8	Very low	28	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	79%	0.789	S	S	*	*			trans	-111.4	-164.5	171.7	-39.8	0	0	0	0	109.1
381	P	51.5	Low	27.9	Very low	106 Å²	106	138.5 Å²	138.5	69%	0.688	80%	0.796	S	S	*	*			cis	-142.7	-167.1	-0	25.7	2.9	0	0	0	116.4
382	F	26.3	Very low	27.3	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.864	79%	0.794	S	S	*	*			trans	86.2	126.3	152.2	-83.3	-65	0	0	0	125
383	A	24.6	Very low	27.1	Very low	86 Å²	86	133.8 Å²	133.8	71%	0.711	79%	0.791	S	S	*	*				87.5	128.2	124.7	0	0	0	0	0	126
384	M	26.1	Very low	27.2	Very low	170 Å²	170	135.8 Å²	135.8	84%	0.837	79%	0.792	S	S	*	*			trans	71.9	109.9	134.1	-68.8	-67.1	-168.3	0	0	125.2
385	M	25	Very low	27.2	Very low	169 Å²	169	133.1 Å²	133.1	83%	0.833	78%	0.784	S	S	*	*				62.1	131.3	109.5	-151.9	74.4	170.7	0	0	124
386	G	24.1	Very low	27.5	Very low	62 Å²	62	133.1 Å²	133.1	64%	0.639	78%	0.778	S	S	*	*			trans	116.9	115.6	159.7	0	0	0	0	0	115
387	H	28.8	Very low	28.4	Very low	175 Å²	175	136 Å²	136	81%	0.81	78%	0.783	S	S	*	*				65.6	141.6	73.6	-73	-70.5	0	0	0	114.4
388	H	26.5	Very low	28.4	Very low	154 Å²	154	134 Å²	134	71%	0.713	78%	0.78	S	S	*	*			cis	-157.1	-176.5	22.9	-157.3	-106.3	0	0	0	113.3
389	E	23.3	Very low	28.3	Very low	167 Å²	167	130 Å²	130	78%	0.78	78%	0.778	S	S	*	*			trans	72.5	149.3	164.1	-61.9	-166.9	169.2	0	0	120.6
390	M	29.2	Very low	28.3	Very low	175 Å²	175	136 Å²	136	86%	0.862	78%	0.782	S	S	*	*			cis	-165.8	170.9	-33.6	-144.5	-162.7	-166.9	0	0	111.7
391	N	26.2	Very low	29.9	Very low	169 Å²	169	136.7 Å²	136.7	90%	0.904	78%	0.784	S	S	*	*			trans	85.8	148.8	156.7	-157.6	18.8	0	0	0	120.7
392	G	25.4	Very low	28.7	Very low	70 Å²	70	135 Å²	135	72%	0.722	79%	0.786	S	S	*	*			trans	123.1	127.3	171.7	0	0	0	0	0	115.6
393	S	22.8	Very low	28.9	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	79%	0.785	S	S	*	*			trans	-132.4	174.4	-168	70.2	0	0	0	0	116.8
394	L	29.8	Very low	29	Very low	154 Å²	154	136.8 Å²	136.8	81%	0.806	79%	0.79	S	S	*	*			trans	-105.6	-168	177.9	-50.1	178.1	0	0	0	110.3
395	T	28.4	Very low	29	Very low	116 Å²	116	133.5 Å²	133.5	71%	0.712	78%	0.784	S	S	*	*			cis	-163.1	159.5	14.7	-18.6	0	0	0	0	111.6
396	S	31.3	Very low	30.5	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	78%	0.776	S	S	*	*			trans	63.2	-142.9	153.1	-48.4	0	0	0	0	115.7
397	P	42.8	Very low	30.7	Very low	132 Å²	132	135.4 Å²	135.4	86%	0.857	78%	0.783	S	S	*	*			cis	-80.5	-173.7	4	37.6	-39.9	0	0	0	113.7
398	G	27.4	Very low	30.9	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	78%	0.784	S	S	*	*			cis	-153.3	-140.4	1.3	0	0	0	0	0	110.3
399	V	24.1	Very low	31.1	Very low	139 Å²	139	132.5 Å²	132.5	84%	0.842	78%	0.783	S	S	*	*			cis	-153.8	-172.9	-1.6	-146.1	0	0	0	0	109
400	Y	25.9	Very low	31.2	Very low	219 Å²	219	129 Å²	129	86%	0.859	78%	0.783	S	S	*	*			trans	-152.4	-177.4	-172.3	-93.2	-83.1	0	0	0	110.6
401	P	57.9	Low	31.1	Very low	126 Å²	126	125.3 Å²	125.3	82%	0.818	78%	0.78	S	S	*	*			cis	-140.8	170.2	12.7	40.9	-20.8	0	0	0	120.5
402	G	26.4	Very low	31.2	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	78%	0.779	S	S	*	*			trans	105.9	146	158.4	0	0	0	0	0	116.7
403	L	30.2	Very low	31.3	Very low	161 Å²	161	123.4 Å²	123.4	84%	0.843	78%	0.781	S	S	*	*			cis	-164.6	162.7	-1.1	-125	178	0	0	0	111.3
404	I	28	Very low	31.6	Very low	159 Å²	159	122.7 Å²	122.7	82%	0.815	78%	0.782	S	S	*	*			trans	82.8	159.9	164.5	-56.7	163.7	0	0	0	118.5
405	S	25.2	Very low	31.5	Very low	102 Å²	102	118.9 Å²	118.9	71%	0.713	77%	0.773	S	S	*	*			trans	-161.3	-178.9	-165	-157.7	0	0	0	0	109.3
406	P	56.1	Low	31.4	Very low	104 Å²	104	124.5 Å²	124.5	68%	0.675	78%	0.783	S	S	*	*			cis	-133.1	-167.7	-18.5	27.1	-2.4	0	0	0	115.1
407	Q	28.6	Very low	31.1	Very low	167 Å²	167	123.3 Å²	123.3	78%	0.78	79%	0.786	S	S	*	*			trans	106.8	114	156.2	-67	-174.2	-125.9	0	0	117.2
408	M	33.6	Very low	30.3	Very low	169 Å²	169	129.2 Å²	129.2	83%	0.833	79%	0.791	S	S	*	*				81.1	143.6	60.8	-74.3	-165.6	120.3	0	0	112.7
409	S	30	Very low	30.4	Very low	98 Å²	98	131 Å²	131	69%	0.685	79%	0.794	S	S	*	*			cis	-159.5	178.4	12.7	-129.5	0	0	0	0	109.4
410	A	26.3	Very low	31.8	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	79%	0.788	S	S	*	*			cis	-154.5	-178.2	-0.9	0	0	0	0	0	109.4
411	A	26.8	Very low	32	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	79%	0.789	S	S	*	*			trans	-144.3	162.2	178.5	0	0	0	0	0	114.5
412	A	29	Very low	30.6	Very low	106 Å²	106	126.1 Å²	126.1	88%	0.876	79%	0.789	S	S	*	*			trans	65.9	133.1	149	0	0	0	0	0	123.1
413	A	26.4	Very low	30.6	Very low	92 Å²	92	125.9 Å²	125.9	76%	0.76	79%	0.786	S	S	*	*			trans	-155	130.2	143.4	0	0	0	0	0	106.1
414	A	29.5	Very low	30.4	Very low	102 Å²	102	128.7 Å²	128.7	84%	0.843	79%	0.792	S	S	*	*				67.6	133.6	59.9	0	0	0	0	0	113.2
415	A	26.8	Very low	30.5	Very low	75 Å²	75	126.9 Å²	126.9	62%	0.62	78%	0.784	S	S	*	*			cis	-167.7	-174	-11.2	0	0	0	0	0	109.9
416	Y	27.1	Very low	30.8	Very low	234 Å²	234	127.7 Å²	127.7	92%	0.918	79%	0.787	S	S	*	*			trans	74.6	109.7	165.3	-53.5	-79.2	0	0	0	121
417	G	24.5	Very low	29.6	Very low	76 Å²	76	130.5 Å²	130.5	78%	0.784	79%	0.791	S	S	*	*				83.4	119.6	94.7	0	0	0	0	0	122.3
418	R	26.9	Very low	30.6	Very low	256 Å²	256	126.8 Å²	126.8	97%	0.966	78%	0.781	S	S	*	*			trans	83.5	147.9	151.9	-122.7	-179.1	-170.5	-164.9	2.2	120
419	S	28.9	Very low	30.5	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	78%	0.778	S	S	*	*			trans	-146.2	-173.9	178.3	62.8	0	0	0	0	107.9
420	P	52.8	Low	30.6	Very low	112 Å²	112	130.3 Å²	130.3	73%	0.727	79%	0.787	S	S	*	*			cis	-128.4	-173.4	-12.5	42.5	-27.8	0	0	0	112.8
421	I	30.3	Very low	30.7	Very low	170 Å²	170	137.2 Å²	137.2	87%	0.872	79%	0.792	S	S	*	*			trans	-174.6	156.3	135.5	-101.2	162.2	0	0	0	112.5
422	A	30.2	Very low	30.8	Very low	98 Å²	98	137.1 Å²	137.1	81%	0.81	79%	0.792	S	S	*	*			trans	-66.9	167.1	-174	0	0	0	0	0	115.7
423	G	25.3	Very low	31.2	Very low	65 Å²	65	138.4 Å²	138.4	67%	0.67	79%	0.791	S	S	*	*			cis	139.2	168	-3.4	0	0	0	0	0	112.9
424	F	25.2	Very low	31.2	Very low	220 Å²	220	137.3 Å²	137.3	97%	0.965	79%	0.789	S	S	*	*			trans	-165.7	145	160.9	-117.1	-78	0	0	0	110.5
425	D	30.8	Very low	31.4	Very low	121 Å²	121	140.4 Å²	140.4	65%	0.647	79%	0.79	S	S	*	*			trans	-135.9	148.2	177	-174.3	22	0	0	0	107	H427	D425-H427 PolarHBondContact OD1-N 3.37Å
426	P	31.2	Very low	31.5	Very low	120 Å²	120	142.5 Å²	142.5	78%	0.779	80%	0.797	S	S	*	*				-150.2	131	99.6	36.1	-16.9	0	0	0	116.8
427	H	31.4	Very low	31.9	Very low	163 Å²	163	136.8 Å²	136.8	76%	0.755	80%	0.799	S	S	*	*			trans	-63.6	179.3	144.3	-86.6	-9.4	0	0	0	112.4	D425	D425-H427 PolarHBondContact OD1-N 3.37Å
428	P	50.5	Low	32.4	Very low	89 Å²	89	138 Å²	138	58%	0.578	80%	0.795	S	S	*	*			cis	-135.5	-162.3	-0.9	17.9	10.5	0	0	0	115.1
429	H	29.7	Very low	32.8	Very low	163 Å²	163	133.8 Å²	133.8	76%	0.755	79%	0.791	S	S	*	*			trans	85	144	166.5	-41.6	-64.2	0	0	0	115.7
430	M	31.9	Very low	33	Very low	178 Å²	178	135.3 Å²	135.3	88%	0.877	80%	0.796	S	S	*	*			cis	-129.6	172.4	23.2	-100.8	-64.2	165	0	0	115.2
431	R	29.7	Very low	32	Very low	239 Å²	239	135.4 Å²	135.4	90%	0.902	80%	0.799	S	S	*	*			trans	-131.6	128.7	-178.8	177.9	-174.2	-175	173.4	2.9	111.1
432	A	28.2	Very low	32.2	Very low	95 Å²	95	134 Å²	134	79%	0.785	79%	0.792	S	S	*	*			trans	-144.2	160.9	175.8	0	0	0	0	0	110.2
433	P	37.3	Very low	32.2	Very low	134 Å²	134	135.1 Å²	135.1	87%	0.87	79%	0.794	S	S	*	*			trans	-125.1	176.9	-130.6	42.6	-33.1	0	0	0	116.2
434	G	26.5	Very low	33	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	80%	0.804	S	S	*	*			trans	127.1	54.9	151.1	0	0	0	0	0	118.6
435	L	34.2	Very low	34.2	Very low	167 Å²	167	128 Å²	128	87%	0.874	78%	0.782	S	S	*	*			trans	-131.2	128.1	158.6	-73.9	175.9	0	0	0	110.1	A437	L435-A437 PolarHBondContact O-N 2.86Å
436	P	29.7	Very low	35.9	Very low	118 Å²	118	127.1 Å²	127.1	77%	0.766	77%	0.773	S	S	*	*			trans	-75.4	116.7	175.6	29.8	-32.3	0	0	0	110.3	S438	P436-S438 VanDerWaalsContact C-N 3.29Å; P436-S438 PolarHBondContact O-N 3.22Å
437	A	34.1	Very low	38.4	Very low	114 Å²	114	126.7 Å²	126.7	94%	0.942	77%	0.77	S	S	*	*			trans	-74.2	80.4	176.5	0	0	0	0	0	110.8	L435	L435-A437 PolarHBondContact O-N 2.86Å
438	S	35.1	Very low	41	Very low	102 Å²	102	122 Å²	122	71%	0.713	76%	0.76	S	S	*	*			trans	-139.8	34.2	-177.8	-169.4	0	0	0	0	113.7	P436	P436-S438 VanDerWaalsContact C-N 3.29Å; P436-S438 PolarHBondContact O-N 3.22Å
439	L	36.7	Very low	43	Very low	168 Å²	168	119.3 Å²	119.3	88%	0.88	74%	0.738	S	S	*	*			trans	-123.4	94.4	164.1	-74.3	176.5	0	0	0	109.2	S441	L439-S441 PolarHBondContact O-N 2.84Å; L439-S441 VanDerWaalsContact O-N 3.08Å
440	T	32	Very low	46	Very low	137 Å²	137	111.7 Å²	111.7	84%	0.84	70%	0.703	S	S	*	*			trans	-64.9	103.1	162.1	46.5	0	0	0	0	108.1	I442	T440-I442 PolarHBondContact O-N 3.2Å; T440-I442 VanDerWaalsContact O-N 3.1Å
441	S	31.7	Very low	48.9	Very low	113 Å²	113	105.1 Å²	105.1	79%	0.79	67%	0.67	S	S	*	*			trans	-61.1	112.9	173.8	44.3	0	0	0	0	109.7	L439 S443	L439-S441 PolarHBondContact O-N 2.84Å; L439-S441 VanDerWaalsContact O-N 3.08Å; S441-S443 PolarHBondContact O-N 2.83Å
442	I	35.8	Very low	51.9	Low	142 Å²	142	95.8 Å²	95.8	73%	0.728	64%	0.636	S	S	*	*			trans	-66.4	108.3	168.8	-60.8	175.8	0	0	0	106.7	T440 G444 G445	T440-I442 PolarHBondContact O-N 3.2Å; T440-I442 VanDerWaalsContact O-N 3.1Å; I442-G444 PolarHBondContact O-N 3.36Å; I442-G445 PolarHBondContact O-N 3.2Å
443	S	29.2	Very low	54.9	Low	121 Å²	121	91.9 Å²	91.9	85%	0.846	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	102.8	178.6	52.2	0	0	0	0	110.1	S441	S441-S443 PolarHBondContact O-N 2.83Å
444	G	42.3	Very low	57.2	Low	85 Å²	85	87.5 Å²	87.5	88%	0.876	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.6	1.7	-175.5	0	0	0	0	0	115.6	I442	I442-G444 PolarHBondContact O-N 3.36Å
445	G	49.4	Very low	59.8	Low	50 Å²	50	87.8 Å²	87.8	52%	0.515	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-66.1	147.5	173.9	0	0	0	0	0	113.6	I442	I442-G445 PolarHBondContact O-N 3.2Å
446	K	68.4	Low	61.9	Low	102 Å²	102	84.8 Å²	84.8	44%	0.443	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-58	150.5	165.9	-70.6	-176.8	174.2	-177.9	0	109.8	Y449 L699	K446-Y449 HydrophobicContact CB-CD1 4.27Å; K446-L699 HydrophobicContact CD-CD2 4.06Å
447	P	82.8	Confident	64.1	Low	112 Å²	112	81.6 Å²	81.6	73%	0.727	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-52.8	158.2	168.5	-24.7	34.7	0	0	0	112	Y449	P447-Y449 WeakPolarHBondContact O-CD1 3.45Å; P447-Y449 PolarHBondContact O-N 3.26Å; P447-Y449 VanDerWaalsContact O-N 3.09Å
448	A	86.6	Confident	66.6	Low	64 Å²	64	81.2 Å²	81.2	53%	0.529	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-57	118.6	176.7	0	0	0	0	0	110.4	F451 P461	A448-F451 HydrophobicContact CB-CE1 4.22Å; A448-F451 HydrophobicContact CB-CZ 4.04Å; A448-F451 WeakPolarHBondContact O-CE2 3.48Å; A448-F451 WeakPolarHBondContact O-CZ 3.49Å; A448-P461 HydrophobicContact CB-CB 3.99Å
449	Y	91.3	Very high	69.1	Low	32 Å²	32	81.5 Å²	81.5	13%	0.125	52%	0.515	C	S	.	.			trans	-122.8	-1.3	-171.7	63.9	-99.2	0	0	0	113.3	K446 P447 F464 L697 H698 L699 W728 G733 S735	K446-Y449 HydrophobicContact CB-CD1 4.27Å; P447-Y449 WeakPolarHBondContact O-CD1 3.45Å; P447-Y449 PolarHBondContact O-N 3.26Å; P447-Y449 VanDerWaalsContact O-N 3.09Å; Y449-F464 HydrophobicContact CE1-CE2 4.39Å; Y449-F464 HydrophobicContact CE2-CZ 4.02Å; Y449-F464 AromaticContact CZ-CE2 3.94Å; Y449-F464 AromaticContact CZ-CZ 3.82Å; Y449-F464 WeakPolarHBondContact OH-CE2 3.4Å; Y449-L697 CarbonylContact O-C 3.51Å; Y449-L697 WeakPolarHBondContact O-CA 3.43Å; Y449-H698 WeakPolarHBondContact CB-O 3.11Å; Y449-H698 PolarHBondContact O-N 3.49Å; Y449-L699 HydrophobicContact CD1-CD2 4.1Å; Y449-L699 HydrophobicContact CD2-CD1 3.62Å; Y449-L699 HydrophobicContact CD2-CD2 4.11Å; Y449-L699 HydrophobicContact CD2-CG 3.68Å; Y449-L699 HydrophobicContact CE2-CD1 3.83Å; Y449-L699 HydrophobicContact CE2-CG 4.4Å; Y449-L699 HydrophobicContact CG-CD1 4.02Å; Y449-L699 HydrophobicContact CG-CD2 3.67Å; Y449-L699 HydrophobicContact CG-CG 3.78Å; Y449-W728 HydrophobicContact CD2-CZ3 4.02Å; Y449-W728 HydrophobicContact CE2-CZ3 4.11Å; Y449-G733 WeakPolarHBondContact CE2-O 3.29Å; Y449-S735 WeakPolarHBondContact OH-CB 3.23Å; Y449-S735 PolarHBondContact OH-N 2.94Å
450	S	93.4	Very high	71.5	Confident	3 Å²	3	78.4 Å²	78.4	2%	0.021	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.1	174.8	173.1	0	0	0	0	108.9	P461 V462 L697 Y732	S450-P461 WeakPolarHBondContact O-CA 3.26Å; S450-V462 PolarHBondContact O-N 2.85Å; S450-V462 WeakPolarHBondContact OG-CG2 3.41Å; S450-L697 VanDerWaalsContact OG-CD2 3.3Å; S450-L697 WeakPolarHBondContact OG-CD2 3.46Å; S450-Y732 PolarHBondContact OG-O 3.04Å
451	F	93.5	Very high	74.4	Confident	40 Å²	40	75 Å²	75	18%	0.175	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.1	-178.2	-57.9	-87.2	0	0	0	109.6	A448 M459 Q460 P461 Y695 Q696 H698	A448-F451 HydrophobicContact CB-CE1 4.22Å; A448-F451 HydrophobicContact CB-CZ 4.04Å; A448-F451 WeakPolarHBondContact O-CE2 3.48Å; A448-F451 WeakPolarHBondContact O-CZ 3.49Å; F451-M459 HydrophobicContact CB-CB 4.47Å; F451-Q460 CarbonylContact C-O 3.55Å; F451-Q460 VanDerWaalsContact CA-O 3.3Å; F451-Q460 WeakPolarHBondContact CA-O 3.48Å; F451-P461 HydrophobicContact CD1-CB 4.26Å; F451-P461 HydrophobicContact CE1-CB 4.22Å; F451-Y695 CarbonylContact O-C 3.56Å; F451-Y695 VanDerWaalsContact O-CA 3.29Å; F451-Y695 WeakPolarHBondContact O-CA 3.22Å; F451-Q696 PolarHBondContact N-O 2.8Å; F451-Q696 PolarHBondContact O-N 2.92Å; F451-H698 AromaticContact CD2-CE1 3.94Å; F451-H698 AromaticContact CD2-ND1 3.84Å; F451-H698 AromaticContact CE2-CE1 3.9Å; F451-H698 AromaticContact CE2-ND1 3.43Å; F451-H698 WeakPolarHBondContact CE2-ND1 3.26Å
452	H	92.8	Very high	77.2	Confident	43 Å²	43	70.7 Å²	70.7	20%	0.199	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.8	162.1	-177.1	-97.9	0	0	0	108.1	S454 M459 Q460 V462 Y695	H452-S454 PolarHBondContact CE1-OG 3.37Å; H452-S454 PolarHBondContact ND1-OG 3.32Å; H452-S454 VanDerWaalsContact ND1-OG 3.16Å; H452-M459 CarbonylContact O-C 3.58Å; H452-M459 WeakPolarHBondContact O-CA 3.46Å; H452-Q460 PolarHBondContact N-O 3.08Å; H452-Q460 PolarHBondContact O-N 2.58Å; H452-V462 HydrophobicContact CB-CG2 4.13Å; H452-Y695 HydrophobicContact CB-CD1 4.12Å; H452-Y695 HydrophobicContact CB-CE1 3.97Å; H452-Y695 AromaticContact CD2-CE1 3.54Å; H452-Y695 AromaticContact CD2-CZ 3.82Å
453	V	91.1	Very high	79.7	Confident	14 Å²	14	69.6 Å²	69.6	9%	0.085	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.3	171	-162.6	0	0	0	0	107.2	Q458 M459 K694 Q696	V453-Q458 WeakPolarHBondContact CA-O 3.42Å; V453-M459 HydrophobicContact CG1-CG 4.13Å; V453-M459 HydrophobicContact CG2-CG 4.03Å; V453-K694 HydrophobicContact CB-CG 3.79Å; V453-K694 HydrophobicContact CG2-CG 4.13Å; V453-K694 PolarHBondContact N-O 2.91Å; V453-K694 PolarHBondContact O-N 3.27Å; V453-Q696 HydrophobicContact CG2-CB 4.12Å
454	S	85.4	Confident	82.7	Confident	42 Å²	42	67.5 Å²	67.5	29%	0.294	42%	0.423	S	S	.	.			trans	-72.7	165	177.6	-67.4	0	0	0	0	111.6	H452 D456 G457 Q458	H452-S454 PolarHBondContact CE1-OG 3.37Å; H452-S454 PolarHBondContact ND1-OG 3.32Å; H452-S454 VanDerWaalsContact ND1-OG 3.16Å; S454-D456 WeakPolarHBondContact CB-OD1 3.46Å; S454-D456 PolarHBondContact O-N 3.37Å; S454-G457 PolarHBondContact O-N 3.03Å; S454-Q458 PolarHBondContact N-O 2.9Å
455	A	79.7	Confident	84.9	Confident	75 Å²	75	65.7 Å²	65.7	62%	0.62	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.1	179.9	0	0	0	0	0	115.4	G457 P692	A455-G457 VanDerWaalsContact C-N 3.35Å; A455-P692 HydrophobicContact CB-CB 3.89Å; A455-P692 HydrophobicContact CB-CG 3.51Å
456	D	78.1	Confident	86.5	Confident	104 Å²	104	69.8 Å²	69.8	56%	0.556	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	2.1	176.1	67.7	-16.3	0	0	0	113.5	S454 Q458	S454-D456 WeakPolarHBondContact CB-OD1 3.46Å; S454-D456 PolarHBondContact O-N 3.37Å; D456-Q458 VanDerWaalsContact C-N 3.33Å; D456-Q458 WeakPolarHBondContact OD1-CB 3.49Å; D456-Q458 PolarHBondContact OD1-N 2.87Å; D456-Q458 WeakPolarHBondContact OD2-CG 3.39Å; D456-Q458 PolarHBondContact OD2-NE2 2.89Å
457	G	77.8	Confident	87.4	Confident	51 Å²	51	68.2 Å²	68.2	53%	0.526	41%	0.409	S	S	.	.	S	Bend	trans	81.9	2.6	-177.1	0	0	0	0	0	114.7	S454 A455 M459	S454-G457 PolarHBondContact O-N 3.03Å; A455-G457 VanDerWaalsContact C-N 3.35Å; G457-M459 PolarHBondContact O-N 2.73Å
458	Q	84.7	Confident	87.5	Confident	106 Å²	106	63 Å²	63	50%	0.495	38%	0.375	S	S	.	.			trans	-70.8	122.1	175.7	-73.5	-169.8	61.1	0	0	111.4	V453 S454 D456	V453-Q458 WeakPolarHBondContact CA-O 3.42Å; S454-Q458 PolarHBondContact N-O 2.9Å; D456-Q458 VanDerWaalsContact C-N 3.33Å; D456-Q458 WeakPolarHBondContact OD1-CB 3.49Å; D456-Q458 PolarHBondContact OD1-N 2.87Å; D456-Q458 WeakPolarHBondContact OD2-CG 3.39Å; D456-Q458 PolarHBondContact OD2-NE2 2.89Å
459	M	87.8	Confident	87.4	Confident	108 Å²	108	64 Å²	64	53%	0.532	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121	171.2	-60.5	-169.7	-74.3	0	0	110	F451 H452 V453 G457	F451-M459 HydrophobicContact CB-CB 4.47Å; H452-M459 CarbonylContact O-C 3.58Å; H452-M459 WeakPolarHBondContact O-CA 3.46Å; V453-M459 HydrophobicContact CG1-CG 4.13Å; V453-M459 HydrophobicContact CG2-CG 4.03Å; G457-M459 PolarHBondContact O-N 2.73Å
460	Q	88.6	Confident	87.2	Confident	102 Å²	102	69 Å²	69	48%	0.477	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136	177.2	-65.7	-64.3	-18.4	0	0	110.5	F451 H452 V462	F451-Q460 CarbonylContact C-O 3.55Å; F451-Q460 VanDerWaalsContact CA-O 3.3Å; F451-Q460 WeakPolarHBondContact CA-O 3.48Å; H452-Q460 PolarHBondContact N-O 3.08Å; H452-Q460 PolarHBondContact O-N 2.58Å; Q460-V462 PolarHBondContact O-N 2.96Å
461	P	91.8	Very high	86.9	Confident	66 Å²	66	70 Å²	70	43%	0.429	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	133.7	-179.2	28.4	-35	0	0	0	110.6	A448 S450 F451 P463	A448-P461 HydrophobicContact CB-CB 3.99Å; S450-P461 WeakPolarHBondContact O-CA 3.26Å; F451-P461 HydrophobicContact CD1-CB 4.26Å; F451-P461 HydrophobicContact CE1-CB 4.22Å; P461-P463 WeakPolarHBondContact O-CD 3.19Å
462	V	90.9	Very high	86.6	Confident	23 Å²	23	73.7 Å²	73.7	14%	0.139	44%	0.438	C	S	.	.			trans	-74.6	124.3	-171.3	-173.3	0	0	0	0	111.7	S450 H452 Q460 F464 Y695	S450-V462 PolarHBondContact O-N 2.85Å; S450-V462 WeakPolarHBondContact OG-CG2 3.41Å; H452-V462 HydrophobicContact CB-CG2 4.13Å; Q460-V462 PolarHBondContact O-N 2.96Å; V462-F464 HydrophobicContact CB-CD1 4.45Å; V462-F464 HydrophobicContact CB-CE1 4.27Å; V462-F464 HydrophobicContact CG1-CD1 4.35Å; V462-F464 PolarHBondContact O-N 2.72Å; V462-F464 VanDerWaalsContact O-N 3.15Å; V462-Y695 HydrophobicContact CG1-CE1 4.36Å; V462-Y695 HydrophobicContact CG2-CD1 3.67Å; V462-Y695 HydrophobicContact CG2-CE1 3.76Å
463	P	89.1	Confident	86.4	Confident	118 Å²	118	72.9 Å²	72.9	77%	0.766	44%	0.441	S	S	*	.			trans	-72.4	104.8	167.4	29.6	-32.6	0	0	0	109.4	P461	P461-P463 WeakPolarHBondContact O-CD 3.19Å
464	F	91.9	Very high	86.5	Confident	78 Å²	78	72.5 Å²	72.5	34%	0.342	44%	0.439	S	S	.	.			trans	-66.9	132	-178.1	-62.4	-46.7	0	0	0	112.2	Y449 V462 A468 Y732 A734	Y449-F464 HydrophobicContact CE1-CE2 4.39Å; Y449-F464 HydrophobicContact CE2-CZ 4.02Å; Y449-F464 AromaticContact CZ-CE2 3.94Å; Y449-F464 AromaticContact CZ-CZ 3.82Å; Y449-F464 WeakPolarHBondContact OH-CE2 3.4Å; V462-F464 HydrophobicContact CB-CD1 4.45Å; V462-F464 HydrophobicContact CB-CE1 4.27Å; V462-F464 HydrophobicContact CG1-CD1 4.35Å; V462-F464 PolarHBondContact O-N 2.72Å; V462-F464 VanDerWaalsContact O-N 3.15Å; F464-A468 HydrophobicContact CB-CB 3.81Å; F464-A468 HydrophobicContact CG-CB 4.4Å; F464-Y732 AromaticContact CD1-CD2 3.86Å; F464-Y732 HydrophobicContact CD1-CD2 3.86Å; F464-Y732 HydrophobicContact CD1-CE2 4.36Å; F464-Y732 HydrophobicContact CE1-CD2 4.22Å; F464-A734 HydrophobicContact CD1-CB 3.77Å; F464-A734 HydrophobicContact CD2-CB 4.49Å; F464-A734 HydrophobicContact CE1-CB 3.72Å; F464-A734 HydrophobicContact CE2-CB 4.44Å; F464-A734 HydrophobicContact CG-CB 4.18Å; F464-A734 HydrophobicContact CZ-CB 4.07Å
465	P	88.9	Confident	86.9	Confident	46 Å²	46	70.6 Å²	70.6	30%	0.299	43%	0.425	S	S	.	.			trans	-71.8	164.1	173.6	31.8	-37.5	0	0	0	111.8	D467 A468 Y732	P465-D467 WeakPolarHBondContact CB-OD1 3.49Å; P465-D467 WeakPolarHBondContact CG-OD1 3.43Å; P465-D467 PolarHBondContact O-N 3.31Å; P465-D467 VanDerWaalsContact O-N 3.12Å; P465-A468 HydrophobicContact CG-CB 4.28Å; P465-A468 WeakPolarHBondContact O-CB 3.36Å; P465-A468 PolarHBondContact O-N 2.71Å; P465-Y732 HydrophobicContact CG-CE1 3.84Å; P465-Y732 HydrophobicContact CG-CE2 4.3Å; P465-Y732 WeakPolarHBondContact CG-OH 3.34Å
466	P	82.1	Confident	87.4	Confident	136 Å²	136	75.1 Å²	75.1	88%	0.883	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.2	-176.7	-26.2	36	0	0	0	115.4	A468	P466-A468 VanDerWaalsContact C-N 3.33Å
467	D	87.4	Confident	88.1	Confident	69 Å²	69	75 Å²	75	37%	0.369	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.8	178.3	74.6	-61.8	0	0	0	113.9	P465 L469 I470 R729	P465-D467 WeakPolarHBondContact CB-OD1 3.49Å; P465-D467 WeakPolarHBondContact CG-OD1 3.43Å; P465-D467 PolarHBondContact O-N 3.31Å; P465-D467 VanDerWaalsContact O-N 3.12Å; D467-L469 VanDerWaalsContact C-N 3.31Å; D467-L469 PolarHBondContact O-N 2.89Å; D467-I470 WeakPolarHBondContact CA-O 3.26Å; D467-R729 PolarHBondContact O-NE 3.29Å; D467-R729 IonicContact OD2-CZ 2.91Å; D467-R729 IonicContact OD2-NE 3.42Å; D467-R729 IonicContact OD2-NH2 3.72Å; D467-R729 PolarHBondContact OD2-NH2 3.17Å
468	A	84.9	Confident	88.8	Confident	2 Å²	2	73.5 Å²	73.5	2%	0.017	41%	0.405	C	S	.	.	S	Bend	trans	-64.4	-33.2	-175.5	0	0	0	0	0	114	F464 P465 P466 R729 Y732 A734	F464-A468 HydrophobicContact CB-CB 3.81Å; F464-A468 HydrophobicContact CG-CB 4.4Å; P465-A468 HydrophobicContact CG-CB 4.28Å; P465-A468 WeakPolarHBondContact O-CB 3.36Å; P465-A468 PolarHBondContact O-N 2.71Å; P466-A468 VanDerWaalsContact C-N 3.33Å; A468-R729 WeakPolarHBondContact O-CB 3.34Å; A468-R729 WeakPolarHBondContact O-CD 3.5Å; A468-R729 VanDerWaalsContact O-CG 3.28Å; A468-R729 WeakPolarHBondContact O-CG 3.21Å; A468-Y732 WeakPolarHBondContact CA-OH 3.33Å; A468-Y732 HydrophobicContact CB-CE2 3.66Å; A468-A734 HydrophobicContact CB-CB 3.87Å
469	L	84.8	Confident	89.3	Confident	86 Å²	86	74.9 Å²	74.9	45%	0.45	41%	0.406	S	S	.	.	S	Bend	trans	-120.2	-16	-174.5	-60.9	178.1	0	0	0	113.4	D467 A734 S735	D467-L469 VanDerWaalsContact C-N 3.31Å; D467-L469 PolarHBondContact O-N 2.89Å; L469-A734 HydrophobicContact CD2-CB 3.87Å; L469-S735 WeakPolarHBondContact CD2-O 3.43Å
470	I	86.4	Confident	89.5	Confident	136 Å²	136	74.8 Å²	74.8	70%	0.697	40%	0.404	S	S	*	.	S	Bend	trans	-140.1	122.4	-176.9	-57	178.4	0	0	0	108.3	D467	D467-I470 WeakPolarHBondContact CA-O 3.26Å
471	G	87.3	Confident	89.7	Confident	24 Å²	24	73 Å²	73	25%	0.247	40%	0.397	C	S	.	.	S	Bend	trans	-178.6	166.3	177.8	0	0	0	0	0	113.3	G473 I474	G471-G473 PolarHBondContact O-N 3.22Å; G471-G473 VanDerWaalsContact O-N 3.15Å; G471-I474 WeakPolarHBondContact O-CB 3.43Å; G471-I474 PolarHBondContact O-N 3.02Å
472	P	88.1	Confident	89.6	Confident	118 Å²	118	70.7 Å²	70.7	77%	0.766	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	115	179.9	26.4	-33.6	0	0	0	110.8	K714	P472-K714 PolarHBondContact O-NZ 2.91Å
473	G	87	Confident	89.7	Confident	27 Å²	27	72.5 Å²	72.5	28%	0.278	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	17.7	-173.8	0	0	0	0	0	114.5	G471	G471-G473 PolarHBondContact O-N 3.22Å; G471-G473 VanDerWaalsContact O-N 3.15Å
474	I	93.4	Very high	89.8	Confident	6 Å²	6	67 Å²	67	3%	0.031	36%	0.357	C	S	.	.			trans	-102.3	125.5	166.7	-52.9	-52.1	0	0	0	108	G471 K714 I736	G471-I474 WeakPolarHBondContact O-CB 3.43Å; G471-I474 PolarHBondContact O-N 3.02Å; I474-K714 HydrophobicContact CD1-CB 3.83Å; I474-K714 HydrophobicContact CD1-CD 4.32Å; I474-I736 HydrophobicContact CG2-CD1 3.99Å; I474-I736 HydrophobicContact CG2-CG1 4.2Å; I474-I736 HydrophobicContact CG2-CG2 4Å
475	P	94	Very high	89.8	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.006	37%	0.368	C	S	.	.			trans	-60.6	145.3	177.7	-25.5	35.2	0	0	0	112.8	W715 I736 F737 V771 Y773	P475-W715 HydrophobicContact CG-CD2 3.73Å; P475-W715 HydrophobicContact CG-CE3 4.05Å; P475-W715 HydrophobicContact CG-CG 4.3Å; P475-W715 HydrophobicContact CG-CH2 4.1Å; P475-W715 HydrophobicContact CG-CZ2 3.79Å; P475-W715 HydrophobicContact CG-CZ3 4.2Å; P475-I736 HydrophobicContact CB-CG2 4.3Å; P475-I736 WeakPolarHBondContact O-CG2 3.4Å; P475-F737 HydrophobicContact CB-CD1 4.09Å; P475-F737 HydrophobicContact CB-CE1 3.82Å; P475-F737 HydrophobicContact CG-CE1 4.26Å; P475-V771 HydrophobicContact CB-CG1 3.66Å; P475-V771 HydrophobicContact CG-CG1 3.54Å; P475-Y773 HydrophobicContact CB-CE1 4.44Å; P475-Y773 HydrophobicContact CG-CE1 3.81Å
476	R	90.5	Very high	90	Very high	170 Å²	170	65.1 Å²	65.1	64%	0.642	35%	0.354	S	S	*	.	S	Bend	trans	-91.3	-38.7	167.4	-71.5	-173.3	-74.4	144.1	-0.8	112.3	I772 Y773	R476-I772 PolarHBondContact N-O 3.19Å; R476-Y773 VanDerWaalsContact NE-C 3.31Å; R476-Y773 PolarHBondContact NE-O 3.19Å; R476-Y773 PolarHBondContact NE-OXT 3.04Å; R476-Y773 PolarHBondContact NH2-O 3.32Å; R476-Y773 PolarHBondContact NH2-OXT 2.88Å
477	H	91.9	Very high	90.4	Very high	101 Å²	101	60.7 Å²	60.7	47%	0.468	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	158.9	169.3	63.9	51.6	0	0	0	112.7	I772	H477-I772 VanDerWaalsContact CE1-CG1 3.5Å; H477-I772 WeakPolarHBondContact CE1-CG1 3.45Å; H477-I772 PolarHBondContact N-O 2.98Å; H477-I772 PolarHBondContact O-N 2.86Å
478	A	94.4	Very high	90.8	Very high	21 Å²	21	60.5 Å²	60.5	17%	0.174	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.1	167.8	0	0	0	0	0	111.1	F737 Y769 E770	A478-F737 HydrophobicContact CB-CD2 4.1Å; A478-F737 HydrophobicContact CB-CE1 4.18Å; A478-F737 HydrophobicContact CB-CE2 3.51Å; A478-F737 HydrophobicContact CB-CZ 3.56Å; A478-Y769 HydrophobicContact CB-CD1 4.05Å; A478-Y769 HydrophobicContact CB-CG 4.35Å; A478-E770 WeakPolarHBondContact CA-O 3.37Å
479	R	93.8	Very high	91.3	Very high	134 Å²	134	62 Å²	62	51%	0.506	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.9	176.4	175.1	168.9	75.6	163	1.7	110	I481 Y769 E770	R479-I481 HydrophobicContact CG-CG2 4.25Å; R479-I481 PolarHBondContact O-N 2.78Å; R479-Y769 CarbonylContact O-C 3.52Å; R479-Y769 VanDerWaalsContact O-CA 3.28Å; R479-Y769 WeakPolarHBondContact O-CA 3.48Å; R479-E770 IonicContact CZ-OE2 2.75Å; R479-E770 PolarHBondContact N-O 3.34Å; R479-E770 IonicContact NE-OE2 2.7Å; R479-E770 PolarHBondContact NE-OE2 3.06Å; R479-E770 IonicContact NH2-OE1 3.95Å; R479-E770 IonicContact NH2-OE2 2.67Å; R479-E770 PolarHBondContact NH2-OE2 3.41Å; R479-E770 PolarHBondContact O-N 3.38Å
480	Q	93.2	Very high	91.9	Very high	106 Å²	106	57.9 Å²	57.9	50%	0.495	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.4	169.7	-179.9	173.7	6.1	0	0	109.8	T483 T767 Y769	Q480-T483 PolarHBondContact NE2-OG1 2.88Å; Q480-T767 HydrophobicContact CB-CG2 4.48Å; Q480-T767 HydrophobicContact CG-CG2 3.64Å; Q480-Y769 HydrophobicContact CB-CD1 4.02Å; Q480-Y769 HydrophobicContact CB-CE1 3.99Å
481	I	91.3	Very high	92.3	Very high	64 Å²	64	52.6 Å²	52.6	33%	0.328	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-45.9	179.5	53.2	163.9	0	0	0	112.6	R479 Y756 V768 E770	R479-I481 HydrophobicContact CG-CG2 4.25Å; R479-I481 PolarHBondContact O-N 2.78Å; I481-Y756 HydrophobicContact CD1-CD1 4.12Å; I481-Y756 HydrophobicContact CD1-CE1 3.79Å; I481-V768 HydrophobicContact CD1-CG1 4.11Å; I481-V768 HydrophobicContact CG1-CB 4.3Å; I481-V768 HydrophobicContact CG1-CG1 4.08Å; I481-V768 WeakPolarHBondContact CG1-O 3.29Å; I481-V768 PolarHBondContact N-O 2.87Å; I481-E770 HydrophobicContact CD1-CB 4.27Å; I481-E770 HydrophobicContact CG1-CB 4.45Å; I481-E770 HydrophobicContact CG2-CB 3.9Å
482	N	90	Very high	92.7	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.102	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.2	-178.6	-64.8	29.4	0	0	0	110.9	L484 V768	N482-L484 HydrophobicContact CB-CD2 4.39Å; N482-V768 HydrophobicContact CB-CB 4.11Å; N482-V768 HydrophobicContact CB-CG2 4.22Å; N482-V768 PolarHBondContact N-O 2.88Å; N482-V768 PolarHBondContact O-N 3.49Å
483	T	92.4	Very high	93.2	Very high	61 Å²	61	46.4 Å²	46.4	37%	0.374	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.2	168.7	-54.9	0	0	0	0	108.2	Q480 K765	Q480-T483 PolarHBondContact NE2-OG1 2.88Å; T483-K765 HydrophobicContact CG2-CB 4.35Å; T483-K765 HydrophobicContact CG2-CD 4.05Å; T483-K765 HydrophobicContact CG2-CG 4.5Å
484	L	91.9	Very high	93.6	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	100.5	-172.2	-52.7	177.5	0	0	0	109	N482 H486 V502 T504 W513 K765 A766 V768	N482-L484 HydrophobicContact CB-CD2 4.39Å; L484-H486 PolarHBondContact O-N 3.49Å; L484-V502 HydrophobicContact CD1-CB 4.02Å; L484-V502 HydrophobicContact CD1-CG1 3.74Å; L484-T504 HydrophobicContact CD1-CG2 4.38Å; L484-W513 HydrophobicContact CB-CD2 3.93Å; L484-W513 HydrophobicContact CB-CE3 4.22Å; L484-W513 HydrophobicContact CB-CG 4.32Å; L484-W513 HydrophobicContact CB-CZ2 4.25Å; L484-W513 HydrophobicContact CB-CZ3 4.5Å; L484-W513 HydrophobicContact CD1-CB 4.06Å; L484-W513 HydrophobicContact CD1-CD2 4.34Å; L484-W513 HydrophobicContact CD1-CG 3.84Å; L484-W513 HydrophobicContact CD2-CB 3.98Å; L484-W513 HydrophobicContact CD2-CD2 3.99Å; L484-W513 HydrophobicContact CD2-CE3 3.96Å; L484-W513 HydrophobicContact CD2-CG 4.01Å; L484-W513 HydrophobicContact CG-CD2 4.3Å; L484-W513 HydrophobicContact CG-CG 4.28Å; L484-K765 CarbonylContact O-C 3.59Å; L484-K765 VanDerWaalsContact O-CA 3.31Å; L484-K765 WeakPolarHBondContact O-CA 3.43Å; L484-A766 HydrophobicContact CB-CB 4.22Å; L484-A766 HydrophobicContact CD1-CB 4.4Å; L484-A766 PolarHBondContact N-O 3.45Å; L484-A766 PolarHBondContact O-N 3.16Å; L484-V768 HydrophobicContact CD1-CG2 3.77Å; L484-V768 HydrophobicContact CG-CG2 4.13Å
485	S	92.8	Very high	93.6	Very high	82 Å²	82	45.8 Å²	45.8	57%	0.573	24%	0.238	S	C	*	.			trans	-77	81.6	-173.7	-59.7	0	0	0	0	112.2	G487 W513	S485-G487 VanDerWaalsContact C-N 3.31Å; S485-G487 PolarHBondContact O-N 3.18Å; S485-W513 WeakPolarHBondContact O-CH2 3.27Å
486	H	92.3	Very high	93.5	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	24%	0.241	C	C	.	.			trans	-62.2	-36.2	179.5	-167.1	107.3	0	0	0	112.6	L484 E488 V490 T504 K511 W513 K764	L484-H486 PolarHBondContact O-N 3.49Å; H486-E488 PolarHBondContact O-N 3.45Å; H486-V490 HydrophobicContact CB-CG2 3.64Å; H486-T504 PolarHBondContact CE1-O 3.41Å; H486-T504 PolarHBondContact ND1-O 3.45Å; H486-T504 PolarHBondContact ND1-OG1 3.33Å; H486-K511 PolarHBondContact O-NZ 2.92Å; H486-W513 HydrophobicContact CB-CZ2 4.5Å; H486-K764 PolarHBondContact N-O 3Å
487	G	91.5	Very high	93.5	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	24%	0.236	S	C	.	.	S	Bend	trans	86.2	-12.5	-177.1	0	0	0	0	0	114.2	S485 K764	S485-G487 VanDerWaalsContact C-N 3.31Å; S485-G487 PolarHBondContact O-N 3.18Å; G487-K764 PolarHBondContact N-O 3.14Å; G487-K764 WeakPolarHBondContact O-CD 3.36Å; G487-K764 PolarHBondContact O-NZ 2.9Å
488	E	94.5	Very high	93.3	Very high	65 Å²	65	43 Å²	43	30%	0.304	25%	0.246	S	C	.	.	S	Bend	trans	-130.9	158.1	169.3	-67.7	-57	153	0	0	110.6	H486 V490 K507 K764	H486-E488 PolarHBondContact O-N 3.45Å; E488-V490 PolarHBondContact O-N 2.94Å; E488-K507 HydrophobicContact CB-CB 4.03Å; E488-K507 HydrophobicContact CG-CB 3.99Å; E488-K764 CarbonylContact O-C 3.57Å; E488-K764 VanDerWaalsContact O-CA 3.25Å; E488-K764 WeakPolarHBondContact O-CA 3.42Å; E488-K764 IonicContact OE1-NZ 3.92Å; E488-K764 PolarHBondContact OE1-NZ 3.18Å; E488-K764 IonicContact OE2-NZ 2.68Å; E488-K764 PolarHBondContact OE2-NZ 3.31Å
489	V	95.8	Very high	93	Very high	32 Å²	32	44 Å²	44	19%	0.194	25%	0.25	C	S	.	.			trans	-56.6	127.2	-175.4	177.6	0	0	0	0	110.2	C491 G506 Y535 L746 K764	V489-C491 PolarHBondContact O-N 2.83Å; V489-G506 WeakPolarHBondContact O-CA 3.36Å; V489-Y535 HydrophobicContact CB-CE1 4.01Å; V489-L746 HydrophobicContact CG1-CD1 3.28Å; V489-K764 HydrophobicContact CG2-CG 4.17Å
490	V	96.7	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.248	C	C	.	.			trans	-92.7	88.1	-173.6	-174.5	0	0	0	0	110.4	H486 E488 A492 V493 T504 S747 K765 A766	H486-V490 HydrophobicContact CB-CG2 3.64Å; E488-V490 PolarHBondContact O-N 2.94Å; V490-A492 WeakPolarHBondContact CG1-O 3.39Å; V490-V493 HydrophobicContact CG1-CG1 3.57Å; V490-T504 HydrophobicContact CG1-CG2 4.31Å; V490-S747 PolarHBondContact O-OG 2.8Å; V490-K765 WeakPolarHBondContact CG2-O 3.28Å; V490-A766 HydrophobicContact CG1-CB 4.36Å
491	C	95.9	Very high	92.6	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.176	23%	0.233	C	C	.	.			trans	-79.3	-17.2	-179.2	-65.5	0	0	0	0	113.5	V489 G505 I536 S747	V489-C491 PolarHBondContact O-N 2.83Å; C491-G505 PolarHBondContact N-O 2.79Å; C491-I536 VanDerWaalsContact CB-O 3.26Å; C491-I536 WeakPolarHBondContact CB-O 3.38Å; C491-S747 WeakPolarHBondContact O-CB 3.46Å
492	A	96.2	Very high	92.8	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.5	175.3	0	0	0	0	0	112.1	V490 G505 I536	V490-A492 WeakPolarHBondContact CG1-O 3.39Å; A492-G505 PolarHBondContact N-O 2.88Å; A492-G505 PolarHBondContact O-N 2.9Å; A492-I536 HydrophobicContact CB-CG2 4.38Å
493	V	96.7	Very high	93	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.6	169	-64.7	0	0	0	0	110.8	V490 Y503 T504 D749 V758 A766	V490-V493 HydrophobicContact CG1-CG1 3.57Å; V493-Y503 VanDerWaalsContact CA-O 3.31Å; V493-Y503 WeakPolarHBondContact CA-O 3.41Å; V493-T504 HydrophobicContact CG1-CG2 4.33Å; V493-D749 HydrophobicContact CG2-CB 4.23Å; V493-V758 HydrophobicContact CB-CG1 4Å; V493-V758 HydrophobicContact CG1-CG1 4.02Å; V493-V758 HydrophobicContact CG2-CB 4.42Å; V493-V758 HydrophobicContact CG2-CG1 4.3Å; V493-A766 HydrophobicContact CG1-CB 4.3Å
494	T	95.7	Very high	93.2	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.1	161.2	-168	0	0	0	0	111.3	Y503 L541 L548 D749	T494-Y503 HydrophobicContact CG2-CD2 4.33Å; T494-Y503 HydrophobicContact CG2-CG 4.34Å; T494-Y503 PolarHBondContact N-O 2.99Å; T494-Y503 PolarHBondContact O-N 2.9Å; T494-L541 HydrophobicContact CG2-CD1 4.44Å; T494-L541 HydrophobicContact CG2-CG 4.26Å; T494-L548 HydrophobicContact CG2-CD1 4.2Å; T494-D749 VanDerWaalsContact CA-OD2 3.22Å; T494-D749 WeakPolarHBondContact CA-OD2 3.32Å; T494-D749 WeakPolarHBondContact CB-OD2 3.46Å; T494-D749 PolarHBondContact OG1-OD2 3.35Å
495	I	94.3	Very high	93.4	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.062	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.4	-175.6	-173.4	162.5	0	0	0	111.3	T499 V502 I515 D749 V758	I495-T499 HydrophobicContact CD1-CG2 4.23Å; I495-V502 HydrophobicContact CD1-CG2 4.15Å; I495-V502 HydrophobicContact CG1-CG2 4.16Å; I495-I515 HydrophobicContact CD1-CD1 3.92Å; I495-D749 PolarHBondContact N-OD2 3.34Å; I495-V758 HydrophobicContact CB-CG2 4.31Å; I495-V758 HydrophobicContact CD1-CG2 4.08Å
496	S	92.5	Very high	93.4	Very high	10 Å²	10	29.9 Å²	29.9	7%	0.07	17%	0.169	C	C	.	.			trans	-67.5	150.5	179	70.7	0	0	0	0	112.6	P498 T499 R500 H501	S496-P498 CarbonylContact C-O 3.6Å; S496-P498 VanDerWaalsContact C-O 3.24Å; S496-P498 WeakPolarHBondContact CB-O 3.11Å; S496-P498 CarbonylContact O-C 3.28Å; S496-P498 VanDerWaalsContact O-O 3.04Å; S496-P498 PolarHBondContact OG-O 2.87Å; S496-T499 VanDerWaalsContact O-CA 3.31Å; S496-T499 WeakPolarHBondContact O-CA 3.33Å; S496-T499 PolarHBondContact O-N 3.28Å; S496-R500 PolarHBondContact OG-N 3.43Å; S496-H501 PolarHBondContact N-O 2.94Å; S496-H501 PolarHBondContact OG-N 2.86Å; S496-H501 PolarHBondContact OG-O 3.3Å
497	N	88.8	Confident	93.5	Very high	100 Å²	100	32.5 Å²	32.5	54%	0.535	18%	0.18	S	C	.	.	S	Bend	trans	-113.1	117.3	164.1	-171.5	9.4	0	0	0	108.5	A752	N497-A752 HydrophobicContact CB-CB 4.33Å
498	P	88.2	Confident	93.4	Very high	104 Å²	104	30.5 Å²	30.5	68%	0.675	16%	0.16	S	C	*	.	S	Bend	cis	-67.2	161.5	-3.8	31	-37.2	0	0	0	112.8	S496 R500	S496-P498 CarbonylContact C-O 3.6Å; S496-P498 VanDerWaalsContact C-O 3.24Å; S496-P498 WeakPolarHBondContact CB-O 3.11Å; S496-P498 CarbonylContact O-C 3.28Å; S496-P498 VanDerWaalsContact O-O 3.04Å; S496-P498 PolarHBondContact OG-O 2.87Å; P498-R500 PolarHBondContact O-N 2.8Å
499	T	87.8	Confident	93.3	Very high	42 Å²	42	28 Å²	28	26%	0.258	15%	0.149	S	C	.	.	S	Bend	trans	-67.1	98.9	-174.5	53.5	0	0	0	0	112.2	I495 S496 Y756	I495-T499 HydrophobicContact CD1-CG2 4.23Å; S496-T499 VanDerWaalsContact O-CA 3.31Å; S496-T499 WeakPolarHBondContact O-CA 3.33Å; S496-T499 PolarHBondContact O-N 3.28Å; T499-Y756 HydrophobicContact CG2-CD2 4Å; T499-Y756 HydrophobicContact CG2-CE2 4.47Å
500	R	88.7	Confident	93.3	Very high	123 Å²	123	26.4 Å²	26.4	46%	0.464	14%	0.14	S	C	.	.			trans	-143.9	-42.5	177	-179.1	177.1	171	-147.4	-12.8	112.7	S496 P498 D514 I515	S496-R500 PolarHBondContact OG-N 3.43Å; P498-R500 PolarHBondContact O-N 2.8Å; R500-D514 WeakPolarHBondContact CG-OD1 3.42Å; R500-D514 IonicContact CZ-OD2 3.23Å; R500-D514 VanDerWaalsContact CZ-OD2 3.23Å; R500-D514 IonicContact NE-OD1 3.74Å; R500-D514 IonicContact NE-OD2 2.71Å; R500-D514 PolarHBondContact NE-OD2 3.37Å; R500-D514 IonicContact NH2-OD2 3.14Å; R500-D514 PolarHBondContact NH2-OD2 3.05Å; R500-D514 CarbonylContact O-C 3.53Å; R500-D514 WeakPolarHBondContact O-CA 3.48Å; R500-I515 WeakPolarHBondContact O-CG1 3.33Å; R500-I515 PolarHBondContact O-N 2.87Å
501	H	91.5	Very high	93.1	Very high	40 Å²	40	28.1 Å²	28.1	19%	0.185	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.7	-179.1	-57.6	119.5	0	0	0	111.1	S496 Y503 I512 W513 D514	S496-H501 PolarHBondContact N-O 2.94Å; S496-H501 PolarHBondContact OG-N 2.86Å; S496-H501 PolarHBondContact OG-O 3.3Å; H501-Y503 HydrophobicContact CB-CE2 3.74Å; H501-I512 HydrophobicContact CB-CG2 3.99Å; H501-W513 CarbonylContact C-O 3.59Å; H501-W513 VanDerWaalsContact CA-O 3.24Å; H501-W513 WeakPolarHBondContact CA-O 3.44Å; H501-D514 IonicContact NE2-OD2 3.87Å
502	V	94	Very high	93	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.6	167.6	174.4	0	0	0	0	108.5	L484 I495 T504 I512 W513 I515 V758	L484-V502 HydrophobicContact CD1-CB 4.02Å; L484-V502 HydrophobicContact CD1-CG1 3.74Å; I495-V502 HydrophobicContact CD1-CG2 4.15Å; I495-V502 HydrophobicContact CG1-CG2 4.16Å; V502-T504 HydrophobicContact CG1-CG2 4.16Å; V502-I512 WeakPolarHBondContact O-CA 3.26Å; V502-W513 PolarHBondContact N-O 2.92Å; V502-W513 PolarHBondContact O-N 3.02Å; V502-I515 HydrophobicContact CB-CG2 4.29Å; V502-I515 HydrophobicContact CG2-CD1 4.02Å; V502-I515 HydrophobicContact CG2-CG1 4.26Å; V502-I515 HydrophobicContact CG2-CG2 3.61Å; V502-V758 HydrophobicContact CG1-CG1 3.66Å; V502-V758 HydrophobicContact CG1-CG2 4.15Å; V502-V758 HydrophobicContact CG2-CG2 3.89Å
503	Y	95.1	Very high	92.8	Very high	8 Å²	8	27.3 Å²	27.3	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.9	179.5	-60.2	-103.6	0	0	0	107.4	V493 T494 H501 V510 I512 L541 L548 L562	V493-Y503 VanDerWaalsContact CA-O 3.31Å; V493-Y503 WeakPolarHBondContact CA-O 3.41Å; T494-Y503 HydrophobicContact CG2-CD2 4.33Å; T494-Y503 HydrophobicContact CG2-CG 4.34Å; T494-Y503 PolarHBondContact N-O 2.99Å; T494-Y503 PolarHBondContact O-N 2.9Å; H501-Y503 HydrophobicContact CB-CE2 3.74Å; Y503-V510 HydrophobicContact CD1-CG1 4.37Å; Y503-I512 HydrophobicContact CD1-CD1 4.11Å; Y503-I512 HydrophobicContact CD1-CG1 3.77Å; Y503-I512 HydrophobicContact CD1-CG2 4.43Å; Y503-I512 HydrophobicContact CE1-CD1 3.64Å; Y503-I512 HydrophobicContact CE1-CG1 3.77Å; Y503-I512 HydrophobicContact CE1-CG2 4.05Å; Y503-L541 HydrophobicContact CD2-CD1 4.07Å; Y503-L541 HydrophobicContact CE1-CD2 4.43Å; Y503-L541 HydrophobicContact CE2-CD1 3.77Å; Y503-L541 HydrophobicContact CE2-CD2 4.23Å; Y503-L541 HydrophobicContact CE2-CG 4.46Å; Y503-L548 HydrophobicContact CD1-CD1 4.22Å; Y503-L548 HydrophobicContact CD1-CD2 3.85Å; Y503-L548 HydrophobicContact CE1-CD2 4.31Å; Y503-L548 HydrophobicContact CG-CD1 4.46Å; Y503-L562 HydrophobicContact CE1-CD1 3.85Å; Y503-L562 HydrophobicContact CE1-CD2 4.21Å; Y503-L562 WeakPolarHBondContact OH-CD1 3.09Å
504	T	96.1	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.5	178.6	59.5	0	0	0	0	109	L484 H486 V490 V493 V502 V510 K511 W513 A766	L484-T504 HydrophobicContact CD1-CG2 4.38Å; H486-T504 PolarHBondContact CE1-O 3.41Å; H486-T504 PolarHBondContact ND1-O 3.45Å; H486-T504 PolarHBondContact ND1-OG1 3.33Å; V490-T504 HydrophobicContact CG1-CG2 4.31Å; V493-T504 HydrophobicContact CG1-CG2 4.33Å; V502-T504 HydrophobicContact CG1-CG2 4.16Å; T504-V510 CarbonylContact O-C 3.57Å; T504-V510 WeakPolarHBondContact O-CA 3.34Å; T504-K511 PolarHBondContact N-O 3.4Å; T504-K511 PolarHBondContact O-N 2.83Å; T504-K511 PolarHBondContact OG1-O 2.82Å; T504-W513 PolarHBondContact OG1-NE1 2.82Å; T504-A766 HydrophobicContact CG2-CB 3.58Å
505	G	95.6	Very high	92.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125	172.4	0	0	0	0	0	110.9	C491 A492	C491-G505 PolarHBondContact N-O 2.79Å; A492-G505 PolarHBondContact N-O 2.88Å; A492-G505 PolarHBondContact O-N 2.9Å
506	G	94	Very high	91.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.			trans	-123.4	-142.7	174.6	0	0	0	0	0	111.8	V489 G508 C509 I536	V489-G506 WeakPolarHBondContact O-CA 3.36Å; G506-G508 PolarHBondContact O-N 2.83Å; G506-C509 PolarHBondContact N-O 2.9Å; G506-I536 PolarHBondContact O-N 2.95Å
507	K	93.9	Very high	90.6	Very high	57 Å²	57	36.1 Å²	36.1	25%	0.248	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-77.2	118.3	175.6	-157.8	174.1	175.7	-94	0	109.6	E488 C509 R532 D533 Y535	E488-K507 HydrophobicContact CB-CB 4.03Å; E488-K507 HydrophobicContact CG-CB 3.99Å; K507-C509 PolarHBondContact O-N 2.79Å; K507-R532 WeakPolarHBondContact CG-O 3.25Å; K507-R532 PolarHBondContact NZ-O 2.82Å; K507-D533 WeakPolarHBondContact CE-O 3.27Å; K507-D533 IonicContact NZ-OD1 2.93Å; K507-D533 PolarHBondContact NZ-OD1 2.7Å; K507-Y535 HydrophobicContact CB-CD1 4.01Å; K507-Y535 HydrophobicContact CB-CE1 3.77Å; K507-Y535 HydrophobicContact CD-CE1 4.29Å; K507-Y535 HydrophobicContact CG-CD1 4.36Å; K507-Y535 HydrophobicContact CG-CE1 4.06Å
508	G	89.1	Confident	89.3	Confident	2 Å²	2	36.9 Å²	36.9	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	67.2	-27.4	-179.8	0	0	0	0	0	117.6	G506 C529 L530 N531 N534	G506-G508 PolarHBondContact O-N 2.83Å; G508-C529 PolarHBondContact O-N 2.87Å; G508-L530 PolarHBondContact O-N 2.8Å; G508-N531 WeakPolarHBondContact CA-O 3.43Å; G508-N534 PolarHBondContact N-O 2.94Å
509	C	92.9	Very high	87.9	Confident	11 Å²	11	35 Å²	35	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.4	-168.1	67.6	0	0	0	0	115.5	G506 K507 Q526 L527 D528	G506-C509 PolarHBondContact N-O 2.9Å; K507-C509 PolarHBondContact O-N 2.79Å; C509-Q526 HydrophobicContact CB-CG 3.84Å; C509-L527 CarbonylContact C-O 3.24Å; C509-L527 WeakPolarHBondContact CA-O 3.38Å; C509-L527 WeakPolarHBondContact CB-O 3.3Å; C509-D528 WeakPolarHBondContact CB-OD1 3.28Å
510	V	95.3	Very high	87.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130	165.7	-174.6	0	0	0	0	108.7	Y503 T504 Q526 L527 I536 L548 V550	Y503-V510 HydrophobicContact CD1-CG1 4.37Å; T504-V510 CarbonylContact O-C 3.57Å; T504-V510 WeakPolarHBondContact O-CA 3.34Å; V510-Q526 CarbonylContact O-C 3.56Å; V510-Q526 WeakPolarHBondContact O-CA 3.44Å; V510-L527 HydrophobicContact CB-CB 4.15Å; V510-L527 HydrophobicContact CB-CD1 4.17Å; V510-L527 HydrophobicContact CB-CG 4.27Å; V510-L527 PolarHBondContact N-O 2.82Å; V510-L527 PolarHBondContact O-N 2.92Å; V510-I536 HydrophobicContact CG2-CD1 3.52Å; V510-I536 HydrophobicContact CG2-CG2 4.45Å; V510-L548 HydrophobicContact CG1-CD2 4.4Å; V510-V550 HydrophobicContact CG2-CG1 3.89Å; V510-V550 HydrophobicContact CG2-CG2 3.96Å
511	K	93.6	Very high	86.3	Confident	36 Å²	36	37.5 Å²	37.5	16%	0.157	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.9	172.3	-67.8	177.9	-172.9	-177.9	0	110.1	H486 T504 W513 P523 Q526	H486-K511 PolarHBondContact O-NZ 2.92Å; T504-K511 PolarHBondContact N-O 3.4Å; T504-K511 PolarHBondContact O-N 2.83Å; T504-K511 PolarHBondContact OG1-O 2.82Å; K511-W513 HydrophobicContact CB-CZ2 3.96Å; K511-W513 HydrophobicContact CD-CZ2 4.15Å; K511-W513 PolarHBondContact O-NE1 2.73Å; K511-P523 HydrophobicContact CB-CB 4.05Å; K511-P523 HydrophobicContact CD-CG 4.41Å; K511-P523 HydrophobicContact CG-CB 4.45Å; K511-Q526 HydrophobicContact CG-CB 4.44Å; K511-Q526 HydrophobicContact CG-CG 4.13Å
512	I	93.2	Very high	85.9	Confident	10 Å²	10	39 Å²	39	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.9	-180	-50.5	-178	0	0	0	108.6	H501 V502 Y503 P523 V524 S525 L527 L562 P567	H501-I512 HydrophobicContact CB-CG2 3.99Å; V502-I512 WeakPolarHBondContact O-CA 3.26Å; Y503-I512 HydrophobicContact CD1-CD1 4.11Å; Y503-I512 HydrophobicContact CD1-CG1 3.77Å; Y503-I512 HydrophobicContact CD1-CG2 4.43Å; Y503-I512 HydrophobicContact CE1-CD1 3.64Å; Y503-I512 HydrophobicContact CE1-CG1 3.77Å; Y503-I512 HydrophobicContact CE1-CG2 4.05Å; I512-P523 CarbonylContact O-C 3.53Å; I512-P523 VanDerWaalsContact O-CA 3.28Å; I512-P523 WeakPolarHBondContact O-CA 3.24Å; I512-P523 WeakPolarHBondContact O-CB 3.49Å; I512-V524 PolarHBondContact O-N 2.82Å; I512-S525 PolarHBondContact N-O 3.09Å; I512-L527 HydrophobicContact CD1-CD1 4.25Å; I512-L527 HydrophobicContact CD1-CD2 4.02Å; I512-L527 HydrophobicContact CD1-CG 4.21Å; I512-L527 HydrophobicContact CG1-CG 4.47Å; I512-L562 HydrophobicContact CD1-CD2 4.14Å; I512-P567 HydrophobicContact CD1-CG 4.21Å
513	W	92.3	Very high	85.6	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.3	-176.2	-48	83.8	0	0	0	109.8	L484 S485 H486 H501 V502 T504 K511 P523	L484-W513 HydrophobicContact CB-CD2 3.93Å; L484-W513 HydrophobicContact CB-CE3 4.22Å; L484-W513 HydrophobicContact CB-CG 4.32Å; L484-W513 HydrophobicContact CB-CZ2 4.25Å; L484-W513 HydrophobicContact CB-CZ3 4.5Å; L484-W513 HydrophobicContact CD1-CB 4.06Å; L484-W513 HydrophobicContact CD1-CD2 4.34Å; L484-W513 HydrophobicContact CD1-CG 3.84Å; L484-W513 HydrophobicContact CD2-CB 3.98Å; L484-W513 HydrophobicContact CD2-CD2 3.99Å; L484-W513 HydrophobicContact CD2-CE3 3.96Å; L484-W513 HydrophobicContact CD2-CG 4.01Å; L484-W513 HydrophobicContact CG-CD2 4.3Å; L484-W513 HydrophobicContact CG-CG 4.28Å; S485-W513 WeakPolarHBondContact O-CH2 3.27Å; H486-W513 HydrophobicContact CB-CZ2 4.5Å; H501-W513 CarbonylContact C-O 3.59Å; H501-W513 VanDerWaalsContact CA-O 3.24Å; H501-W513 WeakPolarHBondContact CA-O 3.44Å; V502-W513 PolarHBondContact N-O 2.92Å; V502-W513 PolarHBondContact O-N 3.02Å; T504-W513 PolarHBondContact OG1-NE1 2.82Å; K511-W513 HydrophobicContact CB-CZ2 3.96Å; K511-W513 HydrophobicContact CD-CZ2 4.15Å; K511-W513 PolarHBondContact O-NE1 2.73Å; W513-P523 HydrophobicContact CD2-CB 4.22Å; W513-P523 HydrophobicContact CE3-CB 4.19Å; W513-P523 HydrophobicContact CH2-CB 4.28Å; W513-P523 HydrophobicContact CH2-CG 4.37Å; W513-P523 HydrophobicContact CZ2-CB 4.32Å; W513-P523 HydrophobicContact CZ3-CB 4.23Å; W513-P523 HydrophobicContact CZ3-CG 4.47Å
514	D	90.3	Very high	85.3	Confident	8 Å²	8	45 Å²	45	4%	0.043	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.6	172	-169.7	-22	0	0	0	109.6	R500 H501 S516 V524	R500-D514 WeakPolarHBondContact CG-OD1 3.42Å; R500-D514 IonicContact CZ-OD2 3.23Å; R500-D514 VanDerWaalsContact CZ-OD2 3.23Å; R500-D514 IonicContact NE-OD1 3.74Å; R500-D514 IonicContact NE-OD2 2.71Å; R500-D514 PolarHBondContact NE-OD2 3.37Å; R500-D514 IonicContact NH2-OD2 3.14Å; R500-D514 PolarHBondContact NH2-OD2 3.05Å; R500-D514 CarbonylContact O-C 3.53Å; R500-D514 WeakPolarHBondContact O-CA 3.48Å; H501-D514 IonicContact NE2-OD2 3.87Å; D514-S516 VanDerWaalsContact OD1-CB 3.26Å; D514-S516 WeakPolarHBondContact OD1-CB 3.37Å; D514-S516 PolarHBondContact OD1-N 2.64Å; D514-S516 PolarHBondContact OD1-OG 3.4Å; D514-S516 PolarHBondContact OD2-OG 3.44Å; D514-V524 HydrophobicContact CB-CG2 3.84Å
515	I	86.6	Confident	84.9	Confident	18 Å²	18	46.8 Å²	46.8	9%	0.092	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.9	179.4	56.8	160.2	0	0	0	113.1	I495 R500 V502 Q517 V768	I495-I515 HydrophobicContact CD1-CD1 3.92Å; R500-I515 WeakPolarHBondContact O-CG1 3.33Å; R500-I515 PolarHBondContact O-N 2.87Å; V502-I515 HydrophobicContact CB-CG2 4.29Å; V502-I515 HydrophobicContact CG2-CD1 4.02Å; V502-I515 HydrophobicContact CG2-CG1 4.26Å; V502-I515 HydrophobicContact CG2-CG2 3.61Å; I515-Q517 PolarHBondContact O-N 2.75Å; I515-V768 HydrophobicContact CG2-CG2 4.29Å
516	S	82	Confident	84.6	Confident	71 Å²	71	51.1 Å²	51.1	50%	0.497	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12	175.6	71.4	0	0	0	0	113.5	D514	D514-S516 VanDerWaalsContact OD1-CB 3.26Å; D514-S516 WeakPolarHBondContact OD1-CB 3.37Å; D514-S516 PolarHBondContact OD1-N 2.64Å; D514-S516 PolarHBondContact OD1-OG 3.4Å; D514-S516 PolarHBondContact OD2-OG 3.44Å
517	Q	72.9	Confident	84.4	Confident	124 Å²	124	51.1 Å²	51.1	58%	0.579	30%	0.298	S	S	*	.	S	Bend	trans	-118.3	100.2	176.7	-64	-172.8	49.7	0	0	110.5	I515 G519 S520	I515-Q517 PolarHBondContact O-N 2.75Å; Q517-G519 PolarHBondContact O-N 2.92Å; Q517-S520 PolarHBondContact O-N 3.15Å
518	P	61.8	Low	84.2	Confident	116 Å²	116	51.5 Å²	51.5	75%	0.753	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	3.9	-176.2	-26.6	36.1	0	0	0	117.1
519	G	60.3	Low	83.8	Confident	66 Å²	66	52 Å²	52	68%	0.68	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-11.1	174.1	0	0	0	0	0	115.2	Q517 K521	Q517-G519 PolarHBondContact O-N 2.92Å; G519-K521 PolarHBondContact O-N 3.27Å
520	S	69.2	Low	83.2	Confident	32 Å²	32	52.5 Å²	52.5	22%	0.224	31%	0.308	C	S	.	.			trans	-76.5	96.5	-172.3	-166.3	0	0	0	0	112.5	Q517 S522	Q517-S520 PolarHBondContact O-N 3.15Å; S520-S522 PolarHBondContact OG-O 2.87Å; S520-S522 VanDerWaalsContact OG-O 3.11Å
521	K	72.9	Confident	82.5	Confident	184 Å²	184	57.3 Å²	57.3	80%	0.8	33%	0.334	S	S	*	.			trans	-88.4	-0.5	173.6	-64.2	-175.7	179.6	-178.8	0	114	G519	G519-K521 PolarHBondContact O-N 3.27Å
522	S	83.7	Confident	81.9	Confident	72 Å²	72	63.5 Å²	63.5	50%	0.503	36%	0.356	S	S	.	.	S	Bend	trans	-111.2	148.1	177.6	49.8	0	0	0	0	111.1	S520	S520-S522 PolarHBondContact OG-O 2.87Å; S520-S522 VanDerWaalsContact OG-O 3.11Å
523	P	87.9	Confident	81.6	Confident	50 Å²	50	67.9 Å²	67.9	33%	0.325	38%	0.38	S	S	.	.			trans	-68.7	144.5	169.5	31.5	-34.8	0	0	0	110.1	K511 I512 W513	K511-P523 HydrophobicContact CB-CB 4.05Å; K511-P523 HydrophobicContact CD-CG 4.41Å; K511-P523 HydrophobicContact CG-CB 4.45Å; I512-P523 CarbonylContact O-C 3.53Å; I512-P523 VanDerWaalsContact O-CA 3.28Å; I512-P523 WeakPolarHBondContact O-CA 3.24Å; I512-P523 WeakPolarHBondContact O-CB 3.49Å; W513-P523 HydrophobicContact CD2-CB 4.22Å; W513-P523 HydrophobicContact CE3-CB 4.19Å; W513-P523 HydrophobicContact CH2-CB 4.28Å; W513-P523 HydrophobicContact CH2-CG 4.37Å; W513-P523 HydrophobicContact CZ2-CB 4.32Å; W513-P523 HydrophobicContact CZ3-CB 4.23Å; W513-P523 HydrophobicContact CZ3-CG 4.47Å
524	V	87.8	Confident	81.7	Confident	83 Å²	83	69.8 Å²	69.8	50%	0.503	39%	0.39	S	S	.	.	S	Bend	trans	-77.9	-29.2	175.2	176.5	0	0	0	0	110.9	I512 D514	I512-V524 PolarHBondContact O-N 2.82Å; D514-V524 HydrophobicContact CB-CG2 3.84Å
525	S	87.1	Confident	81.9	Confident	39 Å²	39	72.4 Å²	72.4	27%	0.273	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	155.8	177.2	-70.9	0	0	0	0	110.6	I512	I512-S525 PolarHBondContact N-O 3.09Å
526	Q	90.2	Very high	82.3	Confident	90 Å²	90	71.5 Å²	71.5	42%	0.421	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.2	173.7	-178.6	175.4	-50.7	0	0	108.7	C509 V510 K511 D528	C509-Q526 HydrophobicContact CB-CG 3.84Å; V510-Q526 CarbonylContact O-C 3.56Å; V510-Q526 WeakPolarHBondContact O-CA 3.44Å; K511-Q526 HydrophobicContact CG-CB 4.44Å; K511-Q526 HydrophobicContact CG-CG 4.13Å; Q526-D528 PolarHBondContact NE2-OD1 2.94Å
527	L	89.8	Confident	83	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	102.9	176.8	-43	-175.7	0	0	0	107.1	C509 V510 I512 C529 L548 W560 P567	C509-L527 CarbonylContact C-O 3.24Å; C509-L527 WeakPolarHBondContact CA-O 3.38Å; C509-L527 WeakPolarHBondContact CB-O 3.3Å; V510-L527 HydrophobicContact CB-CB 4.15Å; V510-L527 HydrophobicContact CB-CD1 4.17Å; V510-L527 HydrophobicContact CB-CG 4.27Å; V510-L527 PolarHBondContact N-O 2.82Å; V510-L527 PolarHBondContact O-N 2.92Å; I512-L527 HydrophobicContact CD1-CD1 4.25Å; I512-L527 HydrophobicContact CD1-CD2 4.02Å; I512-L527 HydrophobicContact CD1-CG 4.21Å; I512-L527 HydrophobicContact CG1-CG 4.47Å; L527-C529 VanDerWaalsContact CB-SG 3.59Å; L527-C529 PolarHBondContact O-N 3.39Å; L527-C529 PolarHBondContact O-SG 2.85Å; L527-L548 HydrophobicContact CD1-CD2 3.65Å; L527-W560 HydrophobicContact CB-CD2 4.19Å; L527-W560 HydrophobicContact CB-CE3 4.22Å; L527-W560 HydrophobicContact CB-CH2 3.88Å; L527-W560 HydrophobicContact CB-CZ2 3.84Å; L527-W560 HydrophobicContact CB-CZ3 4.08Å; L527-W560 HydrophobicContact CD1-CB 4.48Å; L527-W560 HydrophobicContact CD1-CD2 3.98Å; L527-W560 HydrophobicContact CD1-CE3 4.2Å; L527-W560 HydrophobicContact CD1-CG 4.1Å; L527-W560 HydrophobicContact CD2-CD2 4.41Å; L527-W560 HydrophobicContact CD2-CE3 3.82Å; L527-W560 HydrophobicContact CD2-CZ3 3.87Å; L527-W560 HydrophobicContact CG-CD2 4.43Å; L527-W560 HydrophobicContact CG-CE3 4.31Å; L527-W560 HydrophobicContact CG-CZ3 4.46Å; L527-P567 HydrophobicContact CD2-CB 3.33Å; L527-P567 HydrophobicContact CD2-CG 3.82Å
528	D	89.1	Confident	84.1	Confident	65 Å²	65	67 Å²	67	35%	0.348	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	104.3	170.9	-80.5	15.6	0	0	0	107.4	C509 Q526 R532 W560	C509-D528 WeakPolarHBondContact CB-OD1 3.28Å; Q526-D528 PolarHBondContact NE2-OD1 2.94Å; D528-R532 IonicContact OD2-CZ 3.31Å; D528-R532 IonicContact OD2-NE 3.82Å; D528-R532 PolarHBondContact OD2-NE 2.79Å; D528-R532 IonicContact OD2-NH2 2.92Å; D528-R532 PolarHBondContact OD2-NH2 2.83Å; D528-W560 WeakPolarHBondContact O-CZ2 3.46Å
529	C	80.5	Confident	85.7	Confident	13 Å²	13	61.5 Å²	61.5	9%	0.088	33%	0.328	C	S	.	.			trans	-105.1	-37.7	-166.2	-59.6	0	0	0	0	113.1	G508 L527 I536 V550 T558 W560	G508-C529 PolarHBondContact O-N 2.87Å; L527-C529 VanDerWaalsContact CB-SG 3.59Å; L527-C529 PolarHBondContact O-N 3.39Å; L527-C529 PolarHBondContact O-SG 2.85Å; C529-I536 HydrophobicContact CB-CD1 4.13Å; C529-V550 HydrophobicContact CB-CG1 4.09Å; C529-T558 WeakPolarHBondContact O-CG2 3.47Å; C529-W560 HydrophobicContact CB-CZ2 4.43Å; C529-W560 PolarHBondContact SG-NE1 3.4Å; C529-W560 VanDerWaalsContact SG-NE1 3.36Å
530	L	80	Confident	87.3	Confident	20 Å²	20	61.4 Å²	61.4	11%	0.105	31%	0.309	C	S	.	.	S	Bend	trans	-129.6	174.1	-175.4	-61.1	-178.8	0	0	0	109.4	G508 I536 A554	G508-L530 PolarHBondContact O-N 2.8Å; L530-I536 HydrophobicContact CD1-CG1 4.1Å; L530-A554 HydrophobicContact CD1-CB 4.18Å; L530-A554 HydrophobicContact CD2-CB 3.65Å; L530-A554 HydrophobicContact CG-CB 4.45Å
531	N	81.8	Confident	88.5	Confident	102 Å²	102	61 Å²	61	55%	0.545	30%	0.304	S	S	.	.			trans	-55.2	144.9	168.4	-175.7	32.5	0	0	0	110.5	G508 D533 N534	G508-N531 WeakPolarHBondContact CA-O 3.43Å; N531-D533 PolarHBondContact O-N 2.95Å; N531-N534 PolarHBondContact O-N 3.5Å; N531-N534 VanDerWaalsContact O-N 3.09Å
532	R	79.9	Confident	89.4	Confident	165 Å²	165	53.2 Å²	53.2	62%	0.623	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	5.3	-173.2	-69.5	-175.4	169.9	-169.5	-2.8	114.7	K507 D528	K507-R532 WeakPolarHBondContact CG-O 3.25Å; K507-R532 PolarHBondContact NZ-O 2.82Å; D528-R532 IonicContact OD2-CZ 3.31Å; D528-R532 IonicContact OD2-NE 3.82Å; D528-R532 PolarHBondContact OD2-NE 2.79Å; D528-R532 IonicContact OD2-NH2 2.92Å; D528-R532 PolarHBondContact OD2-NH2 2.83Å
533	D	87.9	Confident	89.6	Confident	103 Å²	103	54 Å²	54	55%	0.551	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-15.3	173.5	-68.5	-54.5	0	0	0	115.3	K507 N531	K507-D533 WeakPolarHBondContact CE-O 3.27Å; K507-D533 IonicContact NZ-OD1 2.93Å; K507-D533 PolarHBondContact NZ-OD1 2.7Å; N531-D533 PolarHBondContact O-N 2.95Å
534	N	93.3	Very high	89.5	Confident	44 Å²	44	55.5 Å²	55.5	24%	0.235	28%	0.28	C	S	.	.	S	Bend	trans	-101.7	135.7	-169	-53.3	30.5	0	0	0	109.7	G508 N531 E553	G508-N534 PolarHBondContact N-O 2.94Å; N531-N534 PolarHBondContact O-N 3.5Å; N531-N534 VanDerWaalsContact O-N 3.09Å; N534-E553 HydrophobicContact CB-CB 4.11Å; N534-E553 WeakPolarHBondContact CB-O 3.45Å; N534-E553 PolarHBondContact ND2-O 2.87Å
535	Y	94.6	Very high	89.4	Confident	62 Å²	62	52.7 Å²	52.7	24%	0.243	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-81.3	141.9	178.6	-69.7	-84.9	0	0	0	112.5	V489 K507 G552 E553	V489-Y535 HydrophobicContact CB-CE1 4.01Å; K507-Y535 HydrophobicContact CB-CD1 4.01Å; K507-Y535 HydrophobicContact CB-CE1 3.77Å; K507-Y535 HydrophobicContact CD-CE1 4.29Å; K507-Y535 HydrophobicContact CG-CD1 4.36Å; K507-Y535 HydrophobicContact CG-CE1 4.06Å; Y535-G552 CarbonylContact O-C 3.51Å; Y535-G552 VanDerWaalsContact O-CA 3.29Å; Y535-G552 WeakPolarHBondContact O-CA 3.45Å; Y535-E553 WeakPolarHBondContact CB-OE2 3.28Å; Y535-E553 WeakPolarHBondContact CD2-OE2 3.35Å; Y535-E553 PolarHBondContact N-OE2 3.41Å; Y535-E553 PolarHBondContact O-N 3.34Å
536	I	96.1	Very high	89.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.7	168	-63.5	178.1	0	0	0	108	C491 A492 G506 V510 C529 L530 V550	C491-I536 VanDerWaalsContact CB-O 3.26Å; C491-I536 WeakPolarHBondContact CB-O 3.38Å; A492-I536 HydrophobicContact CB-CG2 4.38Å; G506-I536 PolarHBondContact O-N 2.95Å; V510-I536 HydrophobicContact CG2-CD1 3.52Å; V510-I536 HydrophobicContact CG2-CG2 4.45Å; C529-I536 HydrophobicContact CB-CD1 4.13Å; L530-I536 HydrophobicContact CD1-CG1 4.1Å; I536-V550 HydrophobicContact CD1-CG1 3.85Å; I536-V550 HydrophobicContact CG1-CG1 4.17Å; I536-V550 HydrophobicContact CG2-CG1 3.61Å
537	R	95.8	Very high	89.6	Confident	87 Å²	87	54.3 Å²	54.3	33%	0.328	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-24.7	-172.4	-58.8	-65.1	-67	-90.4	-11.6	112.7	G551 E553 C580 Y581	R537-G551 PolarHBondContact N-O 3.46Å; R537-E553 WeakPolarHBondContact CD-OE1 3.46Å; R537-E553 HydrophobicContact CG-CG 4.09Å; R537-E553 IonicContact CZ-OE1 2.75Å; R537-E553 IonicContact NE-OE1 3.66Å; R537-E553 IonicContact NH1-OE1 2.69Å; R537-E553 PolarHBondContact NH1-OE1 3Å; R537-C580 WeakPolarHBondContact CB-O 3.18Å; R537-Y581 CarbonylContact C-O 3.51Å; R537-Y581 WeakPolarHBondContact CB-O 3.35Å; R537-Y581 HydrophobicContact CG-CD1 4.45Å
538	S	95.8	Very high	89.8	Confident	13 Å²	13	54.2 Å²	54.2	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.7	172.5	-140.8	0	0	0	0	111.7	G551 L583	S538-G551 PolarHBondContact N-O 2.51Å; S538-G551 PolarHBondContact O-N 3.48Å; S538-L583 PolarHBondContact OG-N 3.42Å
539	C	95.2	Very high	90.1	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.9	165.5	58	0	0	0	0	109.1	L548 I549 V550	C539-L548 HydrophobicContact CB-CD1 4.27Å; C539-I549 CarbonylContact C-O 3.52Å; C539-I549 VanDerWaalsContact CA-O 3.28Å; C539-I549 WeakPolarHBondContact CA-O 3.31Å; C539-V550 HydrophobicContact CB-CG2 4.26Å
540	K	95.2	Very high	90.8	Very high	63 Å²	63	50.5 Å²	50.5	27%	0.274	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.5	-178.1	-63.6	-64.5	176.2	-170.7	0	110	I549 L583 I585	K540-I549 PolarHBondContact N-O 2.77Å; K540-I549 PolarHBondContact O-N 2.9Å; K540-L583 WeakPolarHBondContact CE-O 3.32Å; K540-L583 HydrophobicContact CG-CB 3.91Å; K540-L583 WeakPolarHBondContact CG-O 3.35Å; K540-I585 HydrophobicContact CB-CD1 4.29Å; K540-I585 HydrophobicContact CB-CG1 3.8Å
541	L	94.1	Very high	91.5	Very high	24 Å²	24	49.6 Å²	49.6	13%	0.126	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	148.7	170	-69.4	166	0	0	0	110	T494 Y503 T547 L548 L562	T494-L541 HydrophobicContact CG2-CD1 4.44Å; T494-L541 HydrophobicContact CG2-CG 4.26Å; Y503-L541 HydrophobicContact CD2-CD1 4.07Å; Y503-L541 HydrophobicContact CE1-CD2 4.43Å; Y503-L541 HydrophobicContact CE2-CD1 3.77Å; Y503-L541 HydrophobicContact CE2-CD2 4.23Å; Y503-L541 HydrophobicContact CE2-CG 4.46Å; L541-T547 WeakPolarHBondContact CA-O 3.39Å; L541-L548 HydrophobicContact CD2-CB 3.96Å; L541-L548 HydrophobicContact CD2-CD1 3.58Å; L541-L548 HydrophobicContact CD2-CG 4.39Å; L541-L548 HydrophobicContact CG-CD1 3.81Å; L541-L562 HydrophobicContact CD2-CD1 3.55Å
542	L	92.6	Very high	92.1	Very high	20 Å²	20	44.7 Å²	44.7	11%	0.105	21%	0.213	C	C	.	.			trans	-71.1	155.8	161.2	-91.2	64.5	0	0	0	109.9	D544 G545 T547 I549 I585 A589 L606	L542-D544 WeakPolarHBondContact CB-OD1 3.49Å; L542-D544 PolarHBondContact O-N 2.86Å; L542-G545 PolarHBondContact O-N 3.04Å; L542-T547 HydrophobicContact CD1-CG2 4.07Å; L542-T547 HydrophobicContact CD2-CG2 4.35Å; L542-T547 PolarHBondContact N-O 3.34Å; L542-I549 HydrophobicContact CD1-CD1 3.53Å; L542-I549 HydrophobicContact CD1-CG1 4.15Å; L542-I585 HydrophobicContact CD1-CG2 4.27Å; L542-I585 HydrophobicContact CG-CG2 4.33Å; L542-A589 HydrophobicContact CD2-CB 4.12Å; L542-A589 HydrophobicContact CG-CB 4.22Å; L542-L606 HydrophobicContact CD1-CD1 4.2Å; L542-L606 HydrophobicContact CD2-CD1 4.44Å
543	P	87.9	Confident	92.8	Very high	89 Å²	89	39.7 Å²	39.7	58%	0.578	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.4	174.8	-26.5	34.9	0	0	0	115.3	G545 A589	P543-G545 VanDerWaalsContact C-N 3.33Å; P543-A589 HydrophobicContact CG-CB 4.31Å
544	D	86	Confident	93	Very high	82 Å²	82	35.5 Å²	35.5	44%	0.439	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.9	175.4	74.1	-7.5	0	0	0	114.1	L542 R546 T547	L542-D544 WeakPolarHBondContact CB-OD1 3.49Å; L542-D544 PolarHBondContact O-N 2.86Å; D544-R546 PolarHBondContact O-N 3.48Å; D544-R546 PolarHBondContact OD1-N 2.84Å; D544-T547 PolarHBondContact OD1-N 3.23Å
545	G	85.6	Confident	93	Very high	23 Å²	23	35.8 Å²	35.8	24%	0.237	18%	0.182	C	C	.	.	S	Bend	trans	67	5.8	-174.9	0	0	0	0	0	114.9	L542 P543	L542-G545 PolarHBondContact O-N 3.04Å; P543-G545 VanDerWaalsContact C-N 3.33Å
546	R	88.1	Confident	92.8	Very high	154 Å²	154	34.4 Å²	34.4	58%	0.581	18%	0.18	S	C	*	.	S	Bend	trans	-106.7	-21.6	-174.8	-61.1	172	-175.6	-160.8	-0.2	113.3	D544 L562 A563	D544-R546 PolarHBondContact O-N 3.48Å; D544-R546 PolarHBondContact OD1-N 2.84Å; R546-L562 WeakPolarHBondContact O-CA 3.42Å; R546-L562 VanDerWaalsContact O-CB 3.28Å; R546-L562 WeakPolarHBondContact O-CB 3.34Å; R546-L562 PolarHBondContact O-N 2.92Å; R546-A563 HydrophobicContact CB-CB 4.31Å; R546-A563 HydrophobicContact CG-CB 4.33Å
547	T	92	Very high	92.8	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.5	177.3	-50.6	0	0	0	0	110.2	L541 L542 D544 I559 W560	L541-T547 WeakPolarHBondContact CA-O 3.39Å; L542-T547 HydrophobicContact CD1-CG2 4.07Å; L542-T547 HydrophobicContact CD2-CG2 4.35Å; L542-T547 PolarHBondContact N-O 3.34Å; D544-T547 PolarHBondContact OD1-N 3.23Å; T547-I559 HydrophobicContact CG2-CG2 3.44Å; T547-I559 VanDerWaalsContact CG2-CG2 3.44Å; T547-W560 WeakPolarHBondContact CA-O 3.43Å
548	L	94.3	Very high	92.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.3	171.4	-178.7	78.6	0	0	0	109.2	T494 Y503 V510 L527 C539 L541 V550 W560 L562	T494-L548 HydrophobicContact CG2-CD1 4.2Å; Y503-L548 HydrophobicContact CD1-CD1 4.22Å; Y503-L548 HydrophobicContact CD1-CD2 3.85Å; Y503-L548 HydrophobicContact CE1-CD2 4.31Å; Y503-L548 HydrophobicContact CG-CD1 4.46Å; V510-L548 HydrophobicContact CG1-CD2 4.4Å; L527-L548 HydrophobicContact CD1-CD2 3.65Å; C539-L548 HydrophobicContact CB-CD1 4.27Å; L541-L548 HydrophobicContact CD2-CB 3.96Å; L541-L548 HydrophobicContact CD2-CD1 3.58Å; L541-L548 HydrophobicContact CD2-CG 4.39Å; L541-L548 HydrophobicContact CG-CD1 3.81Å; L548-V550 HydrophobicContact CD2-CG2 3.68Å; L548-V550 HydrophobicContact CG-CG2 3.89Å; L548-W560 HydrophobicContact CB-CB 4.31Å; L548-W560 PolarHBondContact N-O 3.44Å; L548-W560 PolarHBondContact O-N 2.67Å; L548-L562 HydrophobicContact CB-CD1 3.92Å; L548-L562 HydrophobicContact CB-CG 4.35Å
549	I	95.6	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.1	172.5	-60	159.8	0	0	0	108	C539 K540 L542 I559 L583 I585 C592 L606	C539-I549 CarbonylContact C-O 3.52Å; C539-I549 VanDerWaalsContact CA-O 3.28Å; C539-I549 WeakPolarHBondContact CA-O 3.31Å; K540-I549 PolarHBondContact N-O 2.77Å; K540-I549 PolarHBondContact O-N 2.9Å; L542-I549 HydrophobicContact CD1-CD1 3.53Å; L542-I549 HydrophobicContact CD1-CG1 4.15Å; I549-I559 HydrophobicContact CG1-CG1 4.3Å; I549-I559 HydrophobicContact CG1-CG2 4.29Å; I549-L583 HydrophobicContact CG2-CD1 3.95Å; I549-I585 HydrophobicContact CD1-CD1 3.5Å; I549-C592 HydrophobicContact CD1-CB 4.22Å; I549-L606 HydrophobicContact CD1-CD1 3.71Å; I549-L606 HydrophobicContact CD1-CD2 3.52Å; I549-L606 HydrophobicContact CD1-CG 4.27Å; I549-L606 HydrophobicContact CG1-CD2 4.45Å
550	V	95.6	Very high	92.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.8	-173.2	-176.5	0	0	0	0	109.5	V510 C529 I536 C539 L548 L557 T558	V510-V550 HydrophobicContact CG2-CG1 3.89Å; V510-V550 HydrophobicContact CG2-CG2 3.96Å; C529-V550 HydrophobicContact CB-CG1 4.09Å; I536-V550 HydrophobicContact CD1-CG1 3.85Å; I536-V550 HydrophobicContact CG1-CG1 4.17Å; I536-V550 HydrophobicContact CG2-CG1 3.61Å; C539-V550 HydrophobicContact CB-CG2 4.26Å; L548-V550 HydrophobicContact CD2-CG2 3.68Å; L548-V550 HydrophobicContact CG-CG2 3.89Å; V550-L557 CarbonylContact O-C 3.49Å; V550-L557 WeakPolarHBondContact O-CA 3.3Å; V550-T558 PolarHBondContact N-O 3.41Å; V550-T558 PolarHBondContact O-N 2.85Å
551	G	94.8	Very high	92.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.8	177.7	0	0	0	0	0	111.7	R537 S538	R537-G551 PolarHBondContact N-O 3.46Å; S538-G551 PolarHBondContact N-O 2.51Å; S538-G551 PolarHBondContact O-N 3.48Å
552	G	93.9	Very high	92	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-150.9	-176.9	0	0	0	0	0	113	Y535 A554 A579 C580	Y535-G552 CarbonylContact O-C 3.51Å; Y535-G552 VanDerWaalsContact O-CA 3.29Å; Y535-G552 WeakPolarHBondContact O-CA 3.45Å; G552-A554 PolarHBondContact O-N 2.87Å; G552-A579 WeakPolarHBondContact O-CA 3.5Å; G552-C580 CarbonylContact C-O 3.56Å; G552-C580 WeakPolarHBondContact CA-O 3.26Å; G552-C580 PolarHBondContact N-O 3.35Å; G552-C580 PolarHBondContact O-N 2.94Å
553	E	93.9	Very high	91.4	Very high	59 Å²	59	32.2 Å²	32.2	28%	0.276	18%	0.184	S	C	.	.	S	Bend	trans	-76.5	52.3	-179.6	-71.7	155.9	-172.9	0	0	112.1	N534 Y535 R537	N534-E553 HydrophobicContact CB-CB 4.11Å; N534-E553 WeakPolarHBondContact CB-O 3.45Å; N534-E553 PolarHBondContact ND2-O 2.87Å; Y535-E553 WeakPolarHBondContact CB-OE2 3.28Å; Y535-E553 WeakPolarHBondContact CD2-OE2 3.35Å; Y535-E553 PolarHBondContact N-OE2 3.41Å; Y535-E553 PolarHBondContact O-N 3.34Å; R537-E553 WeakPolarHBondContact CD-OE1 3.46Å; R537-E553 HydrophobicContact CG-CG 4.09Å; R537-E553 IonicContact CZ-OE1 2.75Å; R537-E553 IonicContact NE-OE1 3.66Å; R537-E553 IonicContact NH1-OE1 2.69Å; R537-E553 PolarHBondContact NH1-OE1 3Å
554	A	93.3	Very high	90.7	Very high	16 Å²	16	30.1 Å²	30.1	13%	0.132	17%	0.172	C	C	.	.	S	Bend	trans	-150	159.6	174.1	0	0	0	0	0	109.9	L530 G552 T556 P578	L530-A554 HydrophobicContact CD1-CB 4.18Å; L530-A554 HydrophobicContact CD2-CB 3.65Å; L530-A554 HydrophobicContact CG-CB 4.45Å; G552-A554 PolarHBondContact O-N 2.87Å; A554-T556 PolarHBondContact O-N 3.34Å; A554-P578 CarbonylContact C-O 3.56Å; A554-P578 VanDerWaalsContact CA-O 3.26Å; A554-P578 WeakPolarHBondContact CA-O 3.37Å; A554-P578 PolarHBondContact N-O 3.33Å
555	S	91.9	Very high	89.7	Confident	49 Å²	49	35.7 Å²	35.7	34%	0.343	20%	0.195	S	C	.	.	S	Bend	trans	-75.7	-9	175.4	54.8	0	0	0	0	114.1	S575 A577 P578	S555-S575 WeakPolarHBondContact O-CB 3.14Å; S555-S575 PolarHBondContact O-N 3.48Å; S555-A577 VanDerWaalsContact CA-O 3.23Å; S555-A577 WeakPolarHBondContact CA-O 3.37Å; S555-A577 WeakPolarHBondContact CB-O 3.33Å; S555-P578 PolarHBondContact N-O 2.84Å
556	T	92.2	Very high	89.2	Confident	33 Å²	33	38.6 Å²	38.6	20%	0.202	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.8	177.4	50	0	0	0	0	112.2	A554 L573 T574	A554-T556 PolarHBondContact O-N 3.34Å; T556-L573 WeakPolarHBondContact CA-O 3.23Å; T556-T574 HydrophobicContact CG2-CG2 4.2Å
557	L	94.6	Very high	89	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.5	162.5	-47.3	175.1	0	0	0	108.1	V550 E572 L573 C580 L583	V550-L557 CarbonylContact O-C 3.49Å; V550-L557 WeakPolarHBondContact O-CA 3.3Å; L557-E572 CarbonylContact O-C 3.51Å; L557-E572 WeakPolarHBondContact O-CA 3.43Å; L557-L573 HydrophobicContact CB-CB 4.16Å; L557-L573 HydrophobicContact CD1-CD1 4.31Å; L557-L573 PolarHBondContact N-O 3.35Å; L557-L573 PolarHBondContact O-N 2.91Å; L557-C580 HydrophobicContact CD2-CB 3.64Å; L557-L583 HydrophobicContact CD1-CD2 4.11Å; L557-L583 HydrophobicContact CD2-CD2 4.25Å
558	T	94.1	Very high	88.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.7	177.3	56.6	0	0	0	0	110.6	C529 V550 W560 E572	C529-T558 WeakPolarHBondContact O-CG2 3.47Å; V550-T558 PolarHBondContact N-O 3.41Å; V550-T558 PolarHBondContact O-N 2.85Å; T558-W560 PolarHBondContact OG1-NE1 3.08Å; T558-E572 HydrophobicContact CG2-CG 4.26Å
559	I	94.3	Very high	88.5	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.6	174.2	-50.6	-171.7	0	0	0	107.8	T547 I549 K570 A571 L573 L606	T547-I559 HydrophobicContact CG2-CG2 3.44Å; T547-I559 VanDerWaalsContact CG2-CG2 3.44Å; I549-I559 HydrophobicContact CG1-CG1 4.3Å; I549-I559 HydrophobicContact CG1-CG2 4.29Å; I559-K570 HydrophobicContact CG2-CB 4.47Å; I559-K570 HydrophobicContact CG2-CD 4.3Å; I559-K570 WeakPolarHBondContact O-CB 3.29Å; I559-K570 PolarHBondContact O-N 3.35Å; I559-A571 HydrophobicContact CB-CB 4.18Å; I559-A571 HydrophobicContact CD1-CB 4.12Å; I559-A571 HydrophobicContact CG1-CB 4.31Å; I559-A571 PolarHBondContact N-O 3.4Å; I559-A571 PolarHBondContact O-N 2.89Å; I559-L573 HydrophobicContact CD1-CD1 4Å; I559-L573 HydrophobicContact CD1-CD2 4.24Å; I559-L573 HydrophobicContact CD1-CG 4.05Å; I559-L573 HydrophobicContact CG1-CD1 4.43Å; I559-L573 HydrophobicContact CG1-CG 4.37Å; I559-L606 HydrophobicContact CD1-CD2 3.88Å
560	W	93.1	Very high	88.2	Confident	19 Å²	19	49 Å²	49	7%	0.072	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.6	-178.3	-70.5	78.3	0	0	0	111.5	L527 D528 C529 T547 L548 T558 P567 R568 I569	L527-W560 HydrophobicContact CB-CD2 4.19Å; L527-W560 HydrophobicContact CB-CE3 4.22Å; L527-W560 HydrophobicContact CB-CH2 3.88Å; L527-W560 HydrophobicContact CB-CZ2 3.84Å; L527-W560 HydrophobicContact CB-CZ3 4.08Å; L527-W560 HydrophobicContact CD1-CB 4.48Å; L527-W560 HydrophobicContact CD1-CD2 3.98Å; L527-W560 HydrophobicContact CD1-CE3 4.2Å; L527-W560 HydrophobicContact CD1-CG 4.1Å; L527-W560 HydrophobicContact CD2-CD2 4.41Å; L527-W560 HydrophobicContact CD2-CE3 3.82Å; L527-W560 HydrophobicContact CD2-CZ3 3.87Å; L527-W560 HydrophobicContact CG-CD2 4.43Å; L527-W560 HydrophobicContact CG-CE3 4.31Å; L527-W560 HydrophobicContact CG-CZ3 4.46Å; D528-W560 WeakPolarHBondContact O-CZ2 3.46Å; C529-W560 HydrophobicContact CB-CZ2 4.43Å; C529-W560 PolarHBondContact SG-NE1 3.4Å; C529-W560 VanDerWaalsContact SG-NE1 3.36Å; T547-W560 WeakPolarHBondContact CA-O 3.43Å; L548-W560 HydrophobicContact CB-CB 4.31Å; L548-W560 PolarHBondContact N-O 3.44Å; L548-W560 PolarHBondContact O-N 2.67Å; T558-W560 PolarHBondContact OG1-NE1 3.08Å; W560-P567 HydrophobicContact CE3-CB 4.16Å; W560-R568 CarbonylContact C-O 3.44Å; W560-R568 VanDerWaalsContact CA-O 3.3Å; W560-R568 WeakPolarHBondContact CA-O 3.43Å; W560-I569 HydrophobicContact CD2-CG1 4.04Å; W560-I569 HydrophobicContact CE3-CG1 4.24Å; W560-I569 HydrophobicContact CH2-CD1 4.19Å; W560-I569 HydrophobicContact CH2-CG1 3.65Å; W560-I569 HydrophobicContact CZ2-CD1 3.86Å; W560-I569 HydrophobicContact CZ2-CG1 3.41Å; W560-I569 VanDerWaalsContact CZ2-CG1 3.41Å; W560-I569 HydrophobicContact CZ3-CG1 4.06Å
561	D	91	Very high	88	Confident	39 Å²	39	49.4 Å²	49.4	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.8	163.2	175.1	43.2	0	0	0	110.2	A563 S564 P567 R568 K570	D561-A563 VanDerWaalsContact OD1-CB 3.25Å; D561-A563 WeakPolarHBondContact OD1-CB 3.3Å; D561-A563 PolarHBondContact OD1-N 3.1Å; D561-S564 WeakPolarHBondContact OD2-CB 3.39Å; D561-S564 PolarHBondContact OD2-N 3.34Å; D561-S564 PolarHBondContact OD2-OG 2.8Å; D561-P567 VanDerWaalsContact O-CA 3.31Å; D561-P567 WeakPolarHBondContact O-CA 3.5Å; D561-R568 PolarHBondContact N-O 2.91Å; D561-R568 PolarHBondContact O-N 3.31Å; D561-R568 VanDerWaalsContact O-N 3.1Å; D561-K570 HydrophobicContact CB-CB 4.37Å
562	L	87.2	Confident	87.9	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.157	29%	0.285	C	S	.	.			trans	-112	-4.3	176	-54.9	172	0	0	0	112.2	Y503 I512 L541 R546 L548 P567	Y503-L562 HydrophobicContact CE1-CD1 3.85Å; Y503-L562 HydrophobicContact CE1-CD2 4.21Å; Y503-L562 WeakPolarHBondContact OH-CD1 3.09Å; I512-L562 HydrophobicContact CD1-CD2 4.14Å; L541-L562 HydrophobicContact CD2-CD1 3.55Å; R546-L562 WeakPolarHBondContact O-CA 3.42Å; R546-L562 VanDerWaalsContact O-CB 3.28Å; R546-L562 WeakPolarHBondContact O-CB 3.34Å; R546-L562 PolarHBondContact O-N 2.92Å; L548-L562 HydrophobicContact CB-CD1 3.92Å; L548-L562 HydrophobicContact CB-CG 4.35Å; L562-P567 HydrophobicContact CD2-CB 4.1Å; L562-P567 HydrophobicContact CD2-CG 4.18Å
563	A	79.8	Confident	87.8	Confident	67 Å²	67	54.4 Å²	54.4	55%	0.554	29%	0.286	S	S	*	.	S	Bend	trans	-69.2	-27.4	172.9	0	0	0	0	0	111.5	R546 D561	R546-A563 HydrophobicContact CB-CB 4.31Å; R546-A563 HydrophobicContact CG-CB 4.33Å; D561-A563 VanDerWaalsContact OD1-CB 3.25Å; D561-A563 WeakPolarHBondContact OD1-CB 3.3Å; D561-A563 PolarHBondContact OD1-N 3.1Å
564	S	72.8	Confident	87.7	Confident	45 Å²	45	56.1 Å²	56.1	32%	0.315	30%	0.3	S	S	.	.	S	Bend	trans	-73.6	132.6	170.7	-64.1	0	0	0	0	112	D561 T566	D561-S564 WeakPolarHBondContact OD2-CB 3.39Å; D561-S564 PolarHBondContact OD2-N 3.34Å; D561-S564 PolarHBondContact OD2-OG 2.8Å; S564-T566 WeakPolarHBondContact CB-O 3.31Å; S564-T566 CarbonylContact O-C 3.59Å; S564-T566 VanDerWaalsContact O-C 3.28Å; S564-T566 PolarHBondContact O-N 3.17Å
565	Q	65.9	Low	87.6	Confident	200 Å²	200	56.1 Å²	56.1	94%	0.935	30%	0.299	S	S	*	.	S	Bend	trans	-63.3	-15.7	179.3	-170.2	170.1	9.5	0	0	114
566	T	74.5	Confident	87.4	Confident	84 Å²	84	58.7 Å²	58.7	52%	0.515	32%	0.318	S	S	.	.	S	Bend	trans	-110	119.3	155.4	42.2	0	0	0	0	107.1	S564	S564-T566 WeakPolarHBondContact CB-O 3.31Å; S564-T566 CarbonylContact O-C 3.59Å; S564-T566 VanDerWaalsContact O-C 3.28Å; S564-T566 PolarHBondContact O-N 3.17Å
567	P	83.8	Confident	87.4	Confident	31 Å²	31	57.3 Å²	57.3	20%	0.201	31%	0.309	C	S	.	.			trans	-57.3	142.8	173.7	-29.2	37.7	0	0	0	112.1	I512 L527 W560 D561 L562	I512-P567 HydrophobicContact CD1-CG 4.21Å; L527-P567 HydrophobicContact CD2-CB 3.33Å; L527-P567 HydrophobicContact CD2-CG 3.82Å; W560-P567 HydrophobicContact CE3-CB 4.16Å; D561-P567 VanDerWaalsContact O-CA 3.31Å; D561-P567 WeakPolarHBondContact O-CA 3.5Å; L562-P567 HydrophobicContact CD2-CB 4.1Å; L562-P567 HydrophobicContact CD2-CG 4.18Å
568	R	87.3	Confident	87.2	Confident	156 Å²	156	61.1 Å²	61.1	59%	0.589	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	146.9	-177.4	-67.8	177.3	-175.2	-149.8	-3.6	112	W560 D561 K570	W560-R568 CarbonylContact C-O 3.44Å; W560-R568 VanDerWaalsContact CA-O 3.3Å; W560-R568 WeakPolarHBondContact CA-O 3.43Å; D561-R568 PolarHBondContact N-O 2.91Å; D561-R568 PolarHBondContact O-N 3.31Å; D561-R568 VanDerWaalsContact O-N 3.1Å; R568-K570 PolarHBondContact O-N 3.5Å
569	I	89.8	Confident	87.2	Confident	75 Å²	75	61.6 Å²	61.6	39%	0.385	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	121.8	165.9	-58.6	174.2	0	0	0	107.8	W560 E572	W560-I569 HydrophobicContact CD2-CG1 4.04Å; W560-I569 HydrophobicContact CE3-CG1 4.24Å; W560-I569 HydrophobicContact CH2-CD1 4.19Å; W560-I569 HydrophobicContact CH2-CG1 3.65Å; W560-I569 HydrophobicContact CZ2-CD1 3.86Å; W560-I569 HydrophobicContact CZ2-CG1 3.41Å; W560-I569 VanDerWaalsContact CZ2-CG1 3.41Å; W560-I569 HydrophobicContact CZ3-CG1 4.06Å; I569-E572 HydrophobicContact CG2-CG 3.93Å
570	K	89.3	Confident	87.2	Confident	118 Å²	118	61.6 Å²	61.6	51%	0.513	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-35.7	177.3	178.4	-174.9	176	-172.1	0	111.1	I559 D561 R568	I559-K570 HydrophobicContact CG2-CB 4.47Å; I559-K570 HydrophobicContact CG2-CD 4.3Å; I559-K570 WeakPolarHBondContact O-CB 3.29Å; I559-K570 PolarHBondContact O-N 3.35Å; D561-K570 HydrophobicContact CB-CB 4.37Å; R568-K570 PolarHBondContact O-N 3.5Å
571	A	90.3	Very high	87.4	Confident	9 Å²	9	63.4 Å²	63.4	7%	0.074	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	161.6	-178.8	0	0	0	0	0	111.1	I559 Q609	I559-A571 HydrophobicContact CB-CB 4.18Å; I559-A571 HydrophobicContact CD1-CB 4.12Å; I559-A571 HydrophobicContact CG1-CB 4.31Å; I559-A571 PolarHBondContact N-O 3.4Å; I559-A571 PolarHBondContact O-N 2.89Å; A571-Q609 VanDerWaalsContact CB-CD 3.4Å; A571-Q609 HydrophobicContact CB-CG 3.98Å
572	E	92.4	Very high	87.6	Confident	104 Å²	104	62 Å²	62	49%	0.486	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.9	171.3	-58.2	-172.5	-178	0	0	109.3	L557 T558 I569	L557-E572 CarbonylContact O-C 3.51Å; L557-E572 WeakPolarHBondContact O-CA 3.43Å; T558-E572 HydrophobicContact CG2-CG 4.26Å; I569-E572 HydrophobicContact CG2-CG 3.93Å
573	L	92.6	Very high	88.1	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.1	178.5	-52.9	176.2	0	0	0	108.9	T556 L557 I559 S575 W604 Q609	T556-L573 WeakPolarHBondContact CA-O 3.23Å; L557-L573 HydrophobicContact CB-CB 4.16Å; L557-L573 HydrophobicContact CD1-CD1 4.31Å; L557-L573 PolarHBondContact N-O 3.35Å; L557-L573 PolarHBondContact O-N 2.91Å; I559-L573 HydrophobicContact CD1-CD1 4Å; I559-L573 HydrophobicContact CD1-CD2 4.24Å; I559-L573 HydrophobicContact CD1-CG 4.05Å; I559-L573 HydrophobicContact CG1-CD1 4.43Å; I559-L573 HydrophobicContact CG1-CG 4.37Å; L573-S575 PolarHBondContact O-N 3.33Å; L573-W604 HydrophobicContact CB-CD2 4.05Å; L573-W604 HydrophobicContact CB-CE3 3.85Å; L573-W604 HydrophobicContact CB-CH2 4.13Å; L573-W604 HydrophobicContact CB-CZ2 4.3Å; L573-W604 HydrophobicContact CB-CZ3 3.89Å; L573-W604 HydrophobicContact CD1-CB 3.87Å; L573-W604 HydrophobicContact CD1-CD2 3.86Å; L573-W604 HydrophobicContact CD1-CE3 4.04Å; L573-W604 HydrophobicContact CD1-CG 3.8Å; L573-W604 HydrophobicContact CD2-CE3 3.94Å; L573-W604 HydrophobicContact CD2-CZ3 4.34Å; L573-W604 HydrophobicContact CG-CD2 4.4Å; L573-W604 HydrophobicContact CG-CE3 4.16Å; L573-Q609 HydrophobicContact CD2-CB 3.82Å; L573-Q609 HydrophobicContact CD2-CG 4.42Å
574	T	92	Very high	88.8	Confident	95 Å²	95	58 Å²	58	58%	0.583	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	104.5	-177.5	-47.7	0	0	0	0	111.2	T556 W604	T556-T574 HydrophobicContact CG2-CG2 4.2Å; T574-W604 WeakPolarHBondContact O-CH2 3.5Å
575	S	89.9	Confident	89.9	Confident	16 Å²	16	57.1 Å²	57.1	11%	0.112	30%	0.302	C	S	.	.			trans	-75.9	163	170.6	-166.9	0	0	0	0	112	S555 L573 A577	S555-S575 WeakPolarHBondContact O-CB 3.14Å; S555-S575 PolarHBondContact O-N 3.48Å; L573-S575 PolarHBondContact O-N 3.33Å; S575-A577 PolarHBondContact OG-N 2.87Å
576	S	89.1	Confident	91.1	Very high	104 Å²	104	48.1 Å²	48.1	73%	0.727	26%	0.261	S	S	*	.	S	Bend	trans	-80	-24.2	167.3	52.5	0	0	0	0	113.2
577	A	91.1	Very high	91.8	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.025	27%	0.265	C	S	.	.	S	Bend	trans	-77.6	147.7	-179.3	0	0	0	0	0	111.7	S555 S575 A579 C596	S555-A577 VanDerWaalsContact CA-O 3.23Å; S555-A577 WeakPolarHBondContact CA-O 3.37Å; S555-A577 WeakPolarHBondContact CB-O 3.33Å; S575-A577 PolarHBondContact OG-N 2.87Å; A577-A579 PolarHBondContact O-N 3.46Å; A577-C596 HydrophobicContact CB-CB 3.5Å
578	P	91.2	Very high	92	Very high	83 Å²	83	51 Å²	51	54%	0.539	28%	0.276	S	S	.	.	S	Bend	trans	-75.9	-18.8	-175.1	29.6	-34.4	0	0	0	114.3	A554 S555 S597	A554-P578 CarbonylContact C-O 3.56Å; A554-P578 VanDerWaalsContact CA-O 3.26Å; A554-P578 WeakPolarHBondContact CA-O 3.37Å; A554-P578 PolarHBondContact N-O 3.33Å; S555-P578 PolarHBondContact N-O 2.84Å; P578-S597 WeakPolarHBondContact CD-OG 3.38Å; P578-S597 WeakPolarHBondContact CG-OG 3.37Å
579	A	93.9	Very high	92.2	Very high	11 Å²	11	45 Å²	45	9%	0.091	26%	0.26	C	S	.	.			trans	-148.5	156.4	176.9	0	0	0	0	0	112.8	G552 A577 Y581 C596 S597	G552-A579 WeakPolarHBondContact O-CA 3.5Å; A577-A579 PolarHBondContact O-N 3.46Å; A579-Y581 HydrophobicContact CB-CE1 4.23Å; A579-C596 WeakPolarHBondContact O-CA 3.45Å; A579-S597 PolarHBondContact N-OG 3.29Å; A579-S597 PolarHBondContact O-N 2.88Å
580	C	95.3	Very high	92.3	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.6	169.3	164.4	0	0	0	0	109.2	R537 G552 L557 S594 C595	R537-C580 WeakPolarHBondContact CB-O 3.18Å; G552-C580 CarbonylContact C-O 3.56Å; G552-C580 WeakPolarHBondContact CA-O 3.26Å; G552-C580 PolarHBondContact N-O 3.35Å; G552-C580 PolarHBondContact O-N 2.94Å; L557-C580 HydrophobicContact CD2-CB 3.64Å; C580-S594 PolarHBondContact SG-OG 2.78Å; C580-S594 VanDerWaalsContact SG-OG 3.38Å; C580-C595 CarbonylContact C-O 3.58Å; C580-C595 VanDerWaalsContact CA-O 3.29Å; C580-C595 WeakPolarHBondContact CA-O 3.38Å
581	Y	95.8	Very high	92.5	Very high	57 Å²	57	43.6 Å²	43.6	22%	0.224	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-36.7	-179.8	-62.5	-40	0	0	0	113.3	R537 A579 C595 A622 L639	R537-Y581 CarbonylContact C-O 3.51Å; R537-Y581 WeakPolarHBondContact CB-O 3.35Å; R537-Y581 HydrophobicContact CG-CD1 4.45Å; A579-Y581 HydrophobicContact CB-CE1 4.23Å; Y581-C595 PolarHBondContact N-O 3.24Å; Y581-A622 WeakPolarHBondContact CD2-O 3.47Å; Y581-L639 HydrophobicContact CE2-CD1 4.48Å
582	A	96.3	Very high	92.7	Very high	11 Å²	11	43.1 Å²	43.1	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.6	-177.1	0	0	0	0	0	113.2	C595 S623 I625	A582-C595 HydrophobicContact CB-CB 4.18Å; A582-C595 PolarHBondContact O-N 3.09Å; A582-S623 WeakPolarHBondContact CB-O 3.48Å; A582-I625 HydrophobicContact CB-CG2 3.71Å
583	L	96.6	Very high	92.9	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.6	179.7	-66.7	172.1	0	0	0	111.1	S538 K540 I549 L557 F593	S538-L583 PolarHBondContact OG-N 3.42Å; K540-L583 WeakPolarHBondContact CE-O 3.32Å; K540-L583 HydrophobicContact CG-CB 3.91Å; K540-L583 WeakPolarHBondContact CG-O 3.35Å; I549-L583 HydrophobicContact CG2-CD1 3.95Å; L557-L583 HydrophobicContact CD1-CD2 4.11Å; L557-L583 HydrophobicContact CD2-CD2 4.25Å; L583-F593 WeakPolarHBondContact CA-O 3.32Å
584	A	95.6	Very high	93	Very high	8 Å²	8	38.5 Å²	38.5	7%	0.066	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143	165.8	0	0	0	0	0	110.5	F593 I625 I627	A584-F593 HydrophobicContact CB-CB 4.47Å; A584-F593 PolarHBondContact N-O 2.85Å; A584-F593 PolarHBondContact O-N 2.79Å; A584-I625 HydrophobicContact CB-CD1 4.23Å; A584-I625 HydrophobicContact CB-CG1 3.9Å; A584-I625 HydrophobicContact CB-CG2 4Å; A584-I627 HydrophobicContact CB-CD1 4.3Å; A584-I627 HydrophobicContact CB-CG1 4.17Å
585	I	94.5	Very high	93.2	Very high	28 Å²	28	34 Å²	34	14%	0.144	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.6	-179.2	-50.7	-54.6	0	0	0	108.6	K540 L542 I549 C592 L606 I627	K540-I585 HydrophobicContact CB-CD1 4.29Å; K540-I585 HydrophobicContact CB-CG1 3.8Å; L542-I585 HydrophobicContact CD1-CG2 4.27Å; L542-I585 HydrophobicContact CG-CG2 4.33Å; I549-I585 HydrophobicContact CD1-CD1 3.5Å; I585-C592 HydrophobicContact CD1-CB 3.85Å; I585-L606 HydrophobicContact CG2-CD1 4.42Å; I585-I627 VanDerWaalsContact O-CD1 3.27Å; I585-I627 WeakPolarHBondContact O-CD1 3.37Å
586	S	92.3	Very high	93.5	Very high	10 Å²	10	33.3 Å²	33.3	7%	0.07	20%	0.197	C	C	.	.			trans	-59.8	147.1	177.7	61.8	0	0	0	0	112	D588 A589 K590 V591	S586-D588 WeakPolarHBondContact CB-OD1 3.42Å; S586-D588 PolarHBondContact O-N 3.19Å; S586-D588 VanDerWaalsContact O-N 3.08Å; S586-D588 PolarHBondContact OG-OD1 3.42Å; S586-A589 WeakPolarHBondContact O-CA 3.39Å; S586-A589 PolarHBondContact O-N 3.46Å; S586-K590 PolarHBondContact OG-N 3.45Å; S586-V591 PolarHBondContact N-O 3.34Å; S586-V591 PolarHBondContact OG-N 3.19Å; S586-V591 PolarHBondContact OG-O 2.94Å
587	P	88.8	Confident	93.7	Very high	93 Å²	93	29.5 Å²	29.5	60%	0.604	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23	177.8	-26.9	35.7	0	0	0	114.6	A589	P587-A589 VanDerWaalsContact C-N 3.34Å
588	D	88.6	Confident	93.8	Very high	83 Å²	83	32.3 Å²	32.3	44%	0.444	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3	176.1	82.6	-25.4	0	0	0	114.3	S586 K590	S586-D588 WeakPolarHBondContact CB-OD1 3.42Å; S586-D588 PolarHBondContact O-N 3.19Å; S586-D588 VanDerWaalsContact O-N 3.08Å; S586-D588 PolarHBondContact OG-OD1 3.42Å; D588-K590 PolarHBondContact O-N 2.9Å; D588-K590 VanDerWaalsContact O-N 3.15Å; D588-K590 PolarHBondContact OD1-N 2.95Å; D588-K590 VanDerWaalsContact OD1-N 3.15Å; D588-K590 WeakPolarHBondContact OD2-CD 3.26Å; D588-K590 WeakPolarHBondContact OD2-CG 3.48Å; D588-K590 IonicContact OD2-NZ 2.72Å; D588-K590 PolarHBondContact OD2-NZ 2.87Å
589	A	90.7	Very high	93.9	Very high	29 Å²	29	28.4 Å²	28.4	24%	0.24	16%	0.159	C	C	.	.	S	Bend	trans	59.9	14	179.2	0	0	0	0	0	116.4	L542 P543 S586 P587	L542-A589 HydrophobicContact CD2-CB 4.12Å; L542-A589 HydrophobicContact CG-CB 4.22Å; P543-A589 HydrophobicContact CG-CB 4.31Å; S586-A589 WeakPolarHBondContact O-CA 3.39Å; S586-A589 PolarHBondContact O-N 3.46Å; P587-A589 VanDerWaalsContact C-N 3.34Å
590	K	91.4	Very high	93.9	Very high	126 Å²	126	29.1 Å²	29.1	55%	0.548	16%	0.161	S	C	.	.	S	Bend	trans	-91.8	-26.5	179.9	-58.3	-164.9	-160.4	85.5	0	114.2	S586 D588 L606	S586-K590 PolarHBondContact OG-N 3.45Å; D588-K590 PolarHBondContact O-N 2.9Å; D588-K590 VanDerWaalsContact O-N 3.15Å; D588-K590 PolarHBondContact OD1-N 2.95Å; D588-K590 VanDerWaalsContact OD1-N 3.15Å; D588-K590 WeakPolarHBondContact OD2-CD 3.26Å; D588-K590 WeakPolarHBondContact OD2-CG 3.48Å; D588-K590 IonicContact OD2-NZ 2.72Å; D588-K590 PolarHBondContact OD2-NZ 2.87Å; K590-L606 WeakPolarHBondContact O-CB 3.48Å; K590-L606 PolarHBondContact O-N 3.36Å
591	V	93.7	Very high	93.9	Very high	38 Å²	38	29 Å²	29	23%	0.23	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138	-171	179.9	0	0	0	0	110.7	S586 F593 V603 W604	S586-V591 PolarHBondContact N-O 3.34Å; S586-V591 PolarHBondContact OG-N 3.19Å; S586-V591 PolarHBondContact OG-O 2.94Å; V591-F593 HydrophobicContact CB-CE2 4.49Å; V591-F593 HydrophobicContact CB-CZ 4.4Å; V591-F593 HydrophobicContact CG1-CD1 4.47Å; V591-F593 HydrophobicContact CG1-CD2 4.49Å; V591-F593 HydrophobicContact CG1-CE1 3.91Å; V591-F593 HydrophobicContact CG1-CE2 3.95Å; V591-F593 HydrophobicContact CG1-CZ 3.62Å; V591-V603 HydrophobicContact CG1-CG1 3.48Å; V591-V603 VanDerWaalsContact CG1-CG1 3.48Å; V591-W604 CarbonylContact C-O 3.15Å; V591-W604 VanDerWaalsContact CA-O 3.29Å; V591-W604 WeakPolarHBondContact CA-O 3.46Å
592	C	95.1	Very high	93.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.1	170.7	176.2	0	0	0	0	109.9	I549 I585 W604 L606	I549-C592 HydrophobicContact CD1-CB 4.22Å; I585-C592 HydrophobicContact CD1-CB 3.85Å; C592-W604 HydrophobicContact CB-CB 4.33Å; C592-W604 PolarHBondContact N-O 3.06Å; C592-W604 PolarHBondContact O-N 2.81Å; C592-L606 HydrophobicContact CB-CD1 4.07Å; C592-L606 HydrophobicContact CB-CD2 3.68Å; C592-L606 HydrophobicContact CB-CG 3.98Å
593	F	96	Very high	93.8	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.7	173.8	-54.9	-83	0	0	0	109	L583 A584 V591 I601 A602 V603 F615 I625 I627 L634 L648	L583-F593 WeakPolarHBondContact CA-O 3.32Å; A584-F593 HydrophobicContact CB-CB 4.47Å; A584-F593 PolarHBondContact N-O 2.85Å; A584-F593 PolarHBondContact O-N 2.79Å; V591-F593 HydrophobicContact CB-CE2 4.49Å; V591-F593 HydrophobicContact CB-CZ 4.4Å; V591-F593 HydrophobicContact CG1-CD1 4.47Å; V591-F593 HydrophobicContact CG1-CD2 4.49Å; V591-F593 HydrophobicContact CG1-CE1 3.91Å; V591-F593 HydrophobicContact CG1-CE2 3.95Å; V591-F593 HydrophobicContact CG1-CZ 3.62Å; F593-I601 HydrophobicContact CB-CG2 4.41Å; F593-A602 WeakPolarHBondContact CA-O 3.4Å; F593-V603 HydrophobicContact CD1-CB 4.44Å; F593-V603 HydrophobicContact CD1-CG1 4.08Å; F593-V603 HydrophobicContact CD1-CG2 3.97Å; F593-V603 HydrophobicContact CE1-CB 4.46Å; F593-V603 HydrophobicContact CE1-CG1 3.7Å; F593-V603 HydrophobicContact CE1-CG2 4.09Å; F593-F615 HydrophobicContact CD1-CE2 4.31Å; F593-F615 HydrophobicContact CE1-CE2 4.2Å; F593-I625 HydrophobicContact CB-CD1 3.5Å; F593-I625 VanDerWaalsContact CB-CD1 3.5Å; F593-I625 HydrophobicContact CG-CD1 4.45Å; F593-I627 HydrophobicContact CD2-CD1 3.94Å; F593-I627 HydrophobicContact CE2-CD1 3.8Å; F593-L634 HydrophobicContact CB-CD1 4.49Å; F593-L634 HydrophobicContact CB-CD2 4.49Å; F593-L634 HydrophobicContact CD1-CD1 4.34Å; F593-L634 HydrophobicContact CD1-CD2 3.77Å; F593-L634 HydrophobicContact CD2-CD1 4.08Å; F593-L634 HydrophobicContact CE1-CD2 4.26Å; F593-L634 HydrophobicContact CE2-CD1 4.44Å; F593-L634 HydrophobicContact CG-CD1 4.04Å; F593-L634 HydrophobicContact CG-CD2 4.16Å; F593-L648 HydrophobicContact CD1-CD2 4.33Å; F593-L648 HydrophobicContact CE1-CD2 3.37Å; F593-L648 HydrophobicContact CE2-CD2 4.41Å; F593-L648 HydrophobicContact CZ-CD1 4.07Å; F593-L648 HydrophobicContact CZ-CD2 3.42Å; F593-L648 VanDerWaalsContact CZ-CD2 3.42Å; F593-L648 HydrophobicContact CZ-CG 4.37Å
594	S	95.8	Very high	93.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116	-177.4	164.6	0	0	0	0	110.3	C580 C596 I601 A602	C580-S594 PolarHBondContact SG-OG 2.78Å; C580-S594 VanDerWaalsContact SG-OG 3.38Å; S594-C596 PolarHBondContact O-N 2.83Å; S594-I601 WeakPolarHBondContact O-CA 3.31Å; S594-A602 PolarHBondContact N-O 3.16Å; S594-A602 PolarHBondContact O-N 2.91Å
595	C	95.9	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	110.3	172.5	-73.1	0	0	0	0	110.2	C580 Y581 A582 A622 I625	C580-C595 CarbonylContact C-O 3.58Å; C580-C595 VanDerWaalsContact CA-O 3.29Å; C580-C595 WeakPolarHBondContact CA-O 3.38Å; Y581-C595 PolarHBondContact N-O 3.24Å; A582-C595 HydrophobicContact CB-CB 4.18Å; A582-C595 PolarHBondContact O-N 3.09Å; C595-A622 HydrophobicContact CB-CB 3.67Å; C595-A622 VanDerWaalsContact CB-O 3.31Å; C595-A622 WeakPolarHBondContact CB-O 3.43Å; C595-I625 WeakPolarHBondContact SG-CB 3.16Å
596	C	95.1	Very high	93.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	153.2	-178.7	-68.3	0	0	0	0	111.8	A577 A579 S594 D598 G599 N600 A622	A577-C596 HydrophobicContact CB-CB 3.5Å; A579-C596 WeakPolarHBondContact O-CA 3.45Å; S594-C596 PolarHBondContact O-N 2.83Å; C596-D598 WeakPolarHBondContact CB-OD1 3.43Å; C596-D598 PolarHBondContact O-N 3.08Å; C596-G599 PolarHBondContact O-N 2.6Å; C596-N600 VanDerWaalsContact CB-O 3.28Å; C596-N600 WeakPolarHBondContact CB-O 3.15Å; C596-N600 PolarHBondContact N-O 2.83Å; C596-A622 PolarHBondContact O-N 2.92Å
597	S	94.8	Very high	93.5	Very high	24 Å²	24	34.7 Å²	34.7	17%	0.168	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-6	-179.1	62.7	0	0	0	0	114.5	P578 A579 G599 G621	P578-S597 WeakPolarHBondContact CD-OG 3.38Å; P578-S597 WeakPolarHBondContact CG-OG 3.37Å; A579-S597 PolarHBondContact N-OG 3.29Å; A579-S597 PolarHBondContact O-N 2.88Å; S597-G599 VanDerWaalsContact C-N 3.33Å; S597-G621 WeakPolarHBondContact O-CA 3.35Å
598	D	93.1	Very high	93.6	Very high	61 Å²	61	35 Å²	35	33%	0.326	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	10.1	173.3	65.6	-14.3	0	0	0	112.7	C596 N600	C596-D598 WeakPolarHBondContact CB-OD1 3.43Å; C596-D598 PolarHBondContact O-N 3.08Å; D598-N600 PolarHBondContact O-N 3.46Å; D598-N600 WeakPolarHBondContact OD1-CB 3.35Å; D598-N600 PolarHBondContact OD1-N 3.02Å; D598-N600 VanDerWaalsContact OD1-N 3.1Å; D598-N600 PolarHBondContact OD2-ND2 2.86Å
599	G	92.5	Very high	93.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	82.4	-10.8	-177	0	0	0	0	0	114.4	C596 S597 D620	C596-G599 PolarHBondContact O-N 2.6Å; S597-G599 VanDerWaalsContact C-N 3.33Å; G599-D620 WeakPolarHBondContact CA-O 3.47Å
600	N	94.5	Very high	93.9	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	19%	0.19	C	C	.	.			trans	-81.9	150.5	-176.9	-65.4	-52.9	0	0	0	112.2	C596 D598 Q614 F615 Q616	C596-N600 VanDerWaalsContact CB-O 3.28Å; C596-N600 WeakPolarHBondContact CB-O 3.15Å; C596-N600 PolarHBondContact N-O 2.83Å; D598-N600 PolarHBondContact O-N 3.46Å; D598-N600 WeakPolarHBondContact OD1-CB 3.35Å; D598-N600 PolarHBondContact OD1-N 3.02Å; D598-N600 VanDerWaalsContact OD1-N 3.1Å; D598-N600 PolarHBondContact OD2-ND2 2.86Å; N600-Q614 HydrophobicContact CB-CG 3.79Å; N600-Q614 VanDerWaalsContact CB-NE2 3.27Å; N600-Q614 PolarHBondContact ND2-NE2 3.27Å; N600-F615 WeakPolarHBondContact CA-O 3.23Å; N600-Q616 WeakPolarHBondContact OD1-CA 3.49Å; N600-Q616 WeakPolarHBondContact OD1-CG 3.37Å
601	I	95.6	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	105.8	174.2	-36.7	-62.8	0	0	0	108.5	F593 S594 Q614 F615 A622 I625 L634 T636	F593-I601 HydrophobicContact CB-CG2 4.41Å; S594-I601 WeakPolarHBondContact O-CA 3.31Å; I601-Q614 CarbonylContact O-C 3.57Å; I601-Q614 WeakPolarHBondContact O-CA 3.47Å; I601-F615 HydrophobicContact CB-CB 3.99Å; I601-F615 HydrophobicContact CB-CD2 3.99Å; I601-F615 HydrophobicContact CB-CG 4.47Å; I601-F615 HydrophobicContact CG1-CB 4.11Å; I601-F615 HydrophobicContact CG2-CD2 4.27Å; I601-F615 PolarHBondContact N-O 2.81Å; I601-F615 PolarHBondContact O-N 2.91Å; I601-A622 HydrophobicContact CD1-CB 3.43Å; I601-A622 VanDerWaalsContact CD1-CB 3.43Å; I601-I625 HydrophobicContact CG2-CD1 3.86Å; I601-L634 HydrophobicContact CG2-CD2 4.09Å; I601-T636 HydrophobicContact CD1-CG2 3.75Å; I601-T636 HydrophobicContact CG1-CG2 4.03Å
602	A	94.9	Very high	93.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.6	-179.8	0	0	0	0	0	110.9	F593 S594 L611	F593-A602 WeakPolarHBondContact CA-O 3.4Å; S594-A602 PolarHBondContact N-O 3.16Å; S594-A602 PolarHBondContact O-N 2.91Å; A602-L611 HydrophobicContact CB-CD1 3.73Å
603	V	95.3	Very high	93.7	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	107.3	-177.1	-171.1	0	0	0	0	109.6	V591 F593 V612 R613 F615	V591-V603 HydrophobicContact CG1-CG1 3.48Å; V591-V603 VanDerWaalsContact CG1-CG1 3.48Å; F593-V603 HydrophobicContact CD1-CB 4.44Å; F593-V603 HydrophobicContact CD1-CG1 4.08Å; F593-V603 HydrophobicContact CD1-CG2 3.97Å; F593-V603 HydrophobicContact CE1-CB 4.46Å; F593-V603 HydrophobicContact CE1-CG1 3.7Å; F593-V603 HydrophobicContact CE1-CG2 4.09Å; V603-V612 PolarHBondContact O-N 2.96Å; V603-R613 WeakPolarHBondContact CA-O 3.5Å; V603-R613 HydrophobicContact CB-CB 3.99Å; V603-R613 VanDerWaalsContact CB-O 3.26Å; V603-R613 WeakPolarHBondContact CB-O 3.43Å; V603-R613 HydrophobicContact CG2-CB 4.04Å; V603-R613 WeakPolarHBondContact CG2-O 3.48Å; V603-R613 PolarHBondContact N-O 3.35Å; V603-R613 PolarHBondContact O-N 3.09Å; V603-F615 HydrophobicContact CG2-CD2 3.97Å; V603-F615 HydrophobicContact CG2-CE2 3.57Å; V603-F615 HydrophobicContact CG2-CZ 3.93Å
604	W	95.3	Very high	93.5	Very high	11 Å²	11	44.7 Å²	44.7	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.4	-172.5	-63.4	95.3	0	0	0	112.5	L573 T574 V591 C592 T610 L611	L573-W604 HydrophobicContact CB-CD2 4.05Å; L573-W604 HydrophobicContact CB-CE3 3.85Å; L573-W604 HydrophobicContact CB-CH2 4.13Å; L573-W604 HydrophobicContact CB-CZ2 4.3Å; L573-W604 HydrophobicContact CB-CZ3 3.89Å; L573-W604 HydrophobicContact CD1-CB 3.87Å; L573-W604 HydrophobicContact CD1-CD2 3.86Å; L573-W604 HydrophobicContact CD1-CE3 4.04Å; L573-W604 HydrophobicContact CD1-CG 3.8Å; L573-W604 HydrophobicContact CD2-CE3 3.94Å; L573-W604 HydrophobicContact CD2-CZ3 4.34Å; L573-W604 HydrophobicContact CG-CD2 4.4Å; L573-W604 HydrophobicContact CG-CE3 4.16Å; T574-W604 WeakPolarHBondContact O-CH2 3.5Å; V591-W604 CarbonylContact C-O 3.15Å; V591-W604 VanDerWaalsContact CA-O 3.29Å; V591-W604 WeakPolarHBondContact CA-O 3.46Å; C592-W604 HydrophobicContact CB-CB 4.33Å; C592-W604 PolarHBondContact N-O 3.06Å; C592-W604 PolarHBondContact O-N 2.81Å; W604-T610 WeakPolarHBondContact CA-O 3.37Å; W604-L611 HydrophobicContact CD2-CD1 4.16Å; W604-L611 HydrophobicContact CE3-CB 4.03Å; W604-L611 HydrophobicContact CH2-CB 4.03Å; W604-L611 HydrophobicContact CH2-CD1 4.48Å; W604-L611 HydrophobicContact CZ2-CD1 4.12Å; W604-L611 HydrophobicContact CZ3-CB 3.78Å
605	D	94.4	Very high	93.4	Very high	34 Å²	34	44.9 Å²	44.9	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.8	166.3	-176.3	-33.4	0	0	0	109.6	H607 N608 Q609 T610 V612	D605-H607 WeakPolarHBondContact OD1-CA 3.45Å; D605-H607 VanDerWaalsContact OD1-CB 3.31Å; D605-H607 WeakPolarHBondContact OD1-CB 3.38Å; D605-H607 PolarHBondContact OD1-N 3.4Å; D605-N608 HydrophobicContact CB-CB 4.27Å; D605-N608 PolarHBondContact OD1-N 2.95Å; D605-N608 PolarHBondContact OD2-ND2 3.04Å; D605-Q609 WeakPolarHBondContact O-CA 3.21Å; D605-Q609 PolarHBondContact O-N 3.11Å; D605-T610 PolarHBondContact N-O 3.43Å; D605-V612 HydrophobicContact CB-CG2 3.63Å
606	L	91.9	Very high	93.2	Very high	21 Å²	21	51 Å²	51	11%	0.11	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.6	-177.9	-64.5	176.3	0	0	0	114.1	L542 I549 I559 I585 K590 C592	L542-L606 HydrophobicContact CD1-CD1 4.2Å; L542-L606 HydrophobicContact CD2-CD1 4.44Å; I549-L606 HydrophobicContact CD1-CD1 3.71Å; I549-L606 HydrophobicContact CD1-CD2 3.52Å; I549-L606 HydrophobicContact CD1-CG 4.27Å; I549-L606 HydrophobicContact CG1-CD2 4.45Å; I559-L606 HydrophobicContact CD1-CD2 3.88Å; I585-L606 HydrophobicContact CG2-CD1 4.42Å; K590-L606 WeakPolarHBondContact O-CB 3.48Å; K590-L606 PolarHBondContact O-N 3.36Å; C592-L606 HydrophobicContact CB-CD1 4.07Å; C592-L606 HydrophobicContact CB-CD2 3.68Å; C592-L606 HydrophobicContact CB-CG 3.98Å
607	H	90.3	Very high	92.7	Very high	158 Å²	158	52.3 Å²	52.3	73%	0.731	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-52.1	172.4	-173.2	81	0	0	0	110.4	D605	D605-H607 WeakPolarHBondContact OD1-CA 3.45Å; D605-H607 VanDerWaalsContact OD1-CB 3.31Å; D605-H607 WeakPolarHBondContact OD1-CB 3.38Å; D605-H607 PolarHBondContact OD1-N 3.4Å
608	N	91.1	Very high	92.7	Very high	101 Å²	101	51.5 Å²	51.5	54%	0.54	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-14	-176.8	-66.9	-59.3	0	0	0	113.9	D605 T610	D605-N608 HydrophobicContact CB-CB 4.27Å; D605-N608 PolarHBondContact OD1-N 2.95Å; D605-N608 PolarHBondContact OD2-ND2 3.04Å; N608-T610 HydrophobicContact CB-CG2 4.43Å; N608-T610 PolarHBondContact O-N 3.37Å
609	Q	92.6	Very high	92.7	Very high	88 Å²	88	54.5 Å²	54.5	41%	0.411	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	29.1	-179.5	-56.8	163.4	35.2	0	0	113.3	A571 L573 D605	A571-Q609 VanDerWaalsContact CB-CD 3.4Å; A571-Q609 HydrophobicContact CB-CG 3.98Å; L573-Q609 HydrophobicContact CD2-CB 3.82Å; L573-Q609 HydrophobicContact CD2-CG 4.42Å; D605-Q609 WeakPolarHBondContact O-CA 3.21Å; D605-Q609 PolarHBondContact O-N 3.11Å
610	T	92.3	Very high	92.8	Very high	68 Å²	68	57.9 Å²	57.9	42%	0.417	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.2	-175.2	48.7	0	0	0	0	112.4	W604 D605 N608 V612	W604-T610 WeakPolarHBondContact CA-O 3.37Å; D605-T610 PolarHBondContact N-O 3.43Å; N608-T610 HydrophobicContact CB-CG2 4.43Å; N608-T610 PolarHBondContact O-N 3.37Å; T610-V612 PolarHBondContact O-N 3.47Å
611	L	93.9	Very high	92.7	Very high	80 Å²	80	56.6 Å²	56.6	42%	0.419	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	116.4	165.9	-175.9	68.2	0	0	0	108.6	A602 W604 R613	A602-L611 HydrophobicContact CB-CD1 3.73Å; W604-L611 HydrophobicContact CD2-CD1 4.16Å; W604-L611 HydrophobicContact CE3-CB 4.03Å; W604-L611 HydrophobicContact CH2-CB 4.03Å; W604-L611 HydrophobicContact CH2-CD1 4.48Å; W604-L611 HydrophobicContact CZ2-CD1 4.12Å; W604-L611 HydrophobicContact CZ3-CB 3.78Å; L611-R613 WeakPolarHBondContact CD1-O 3.46Å
612	V	92.3	Very high	92.8	Very high	96 Å²	96	56.6 Å²	56.6	58%	0.582	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	-38.9	-176.6	-179.4	0	0	0	0	111.8	V603 D605 T610	V603-V612 PolarHBondContact O-N 2.96Å; D605-V612 HydrophobicContact CB-CG2 3.63Å; T610-V612 PolarHBondContact O-N 3.47Å
613	R	90.6	Very high	92.8	Very high	97 Å²	97	57.4 Å²	57.4	37%	0.366	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.2	-175.5	-168.9	178.2	-77.2	171.4	-16.5	109	V603 L611 F615 L648 R649 G651	V603-R613 WeakPolarHBondContact CA-O 3.5Å; V603-R613 HydrophobicContact CB-CB 3.99Å; V603-R613 VanDerWaalsContact CB-O 3.26Å; V603-R613 WeakPolarHBondContact CB-O 3.43Å; V603-R613 HydrophobicContact CG2-CB 4.04Å; V603-R613 WeakPolarHBondContact CG2-O 3.48Å; V603-R613 PolarHBondContact N-O 3.35Å; V603-R613 PolarHBondContact O-N 3.09Å; L611-R613 WeakPolarHBondContact CD1-O 3.46Å; R613-F615 HydrophobicContact CG-CD1 4.48Å; R613-F615 HydrophobicContact CG-CE1 4.12Å; R613-L648 PolarHBondContact NH1-O 3.2Å; R613-R649 PolarHBondContact NH1-O 2.89Å; R613-R649 VanDerWaalsContact NH1-O 3.14Å; R613-R649 PolarHBondContact NH2-O 3.38Å; R613-G651 VanDerWaalsContact NH1-CA 3.27Å
614	Q	92.1	Very high	92.9	Very high	57 Å²	57	57.3 Å²	57.3	27%	0.266	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.4	169.7	-169.7	-177.1	38.4	0	0	107.2	N600 I601 Q616	N600-Q614 HydrophobicContact CB-CG 3.79Å; N600-Q614 VanDerWaalsContact CB-NE2 3.27Å; N600-Q614 PolarHBondContact ND2-NE2 3.27Å; I601-Q614 CarbonylContact O-C 3.57Å; I601-Q614 WeakPolarHBondContact O-CA 3.47Å; Q614-Q616 HydrophobicContact CG-CG 4.35Å
615	F	93.1	Very high	92.9	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.7	168.8	-53.4	-53	0	0	0	108.5	F593 N600 I601 V603 R613 L634 W646 L648	F593-F615 HydrophobicContact CD1-CE2 4.31Å; F593-F615 HydrophobicContact CE1-CE2 4.2Å; N600-F615 WeakPolarHBondContact CA-O 3.23Å; I601-F615 HydrophobicContact CB-CB 3.99Å; I601-F615 HydrophobicContact CB-CD2 3.99Å; I601-F615 HydrophobicContact CB-CG 4.47Å; I601-F615 HydrophobicContact CG1-CB 4.11Å; I601-F615 HydrophobicContact CG2-CD2 4.27Å; I601-F615 PolarHBondContact N-O 2.81Å; I601-F615 PolarHBondContact O-N 2.91Å; V603-F615 HydrophobicContact CG2-CD2 3.97Å; V603-F615 HydrophobicContact CG2-CE2 3.57Å; V603-F615 HydrophobicContact CG2-CZ 3.93Å; R613-F615 HydrophobicContact CG-CD1 4.48Å; R613-F615 HydrophobicContact CG-CE1 4.12Å; F615-L634 HydrophobicContact CD2-CD2 3.88Å; F615-L634 HydrophobicContact CE2-CD2 3.73Å; F615-W646 HydrophobicContact CB-CD2 4.05Å; F615-W646 HydrophobicContact CB-CE3 3.78Å; F615-W646 HydrophobicContact CB-CH2 4.21Å; F615-W646 HydrophobicContact CB-CZ2 4.43Å; F615-W646 HydrophobicContact CB-CZ3 3.88Å; F615-W646 HydrophobicContact CD1-CE3 4.32Å; F615-W646 HydrophobicContact CG-CD2 4.26Å; F615-W646 HydrophobicContact CG-CE3 4.11Å; F615-L648 HydrophobicContact CE2-CD2 4.02Å; F615-L648 HydrophobicContact CZ-CD2 4.08Å
616	Q	91.4	Very high	93	Very high	130 Å²	130	58.4 Å²	58.4	61%	0.607	31%	0.309	S	S	*	.			trans	-117.9	136.1	-178.7	-51.8	-171.2	-21.4	0	0	108	N600 Q614 W646	N600-Q616 WeakPolarHBondContact OD1-CA 3.49Å; N600-Q616 WeakPolarHBondContact OD1-CG 3.37Å; Q614-Q616 HydrophobicContact CG-CG 4.35Å; Q616-W646 WeakPolarHBondContact O-CH2 3.37Å
617	G	84.6	Confident	93.1	Very high	28 Å²	28	58.2 Å²	58.2	29%	0.289	31%	0.307	S	S	.	.			trans	166.7	-38.9	174.4	0	0	0	0	0	115.1	T619 R644	G617-T619 PolarHBondContact O-N 3.2Å; G617-R644 PolarHBondContact O-NH1 3.34Å; G617-R644 PolarHBondContact O-NH2 3.31Å
618	H	93.8	Very high	93.2	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.037	27%	0.274	C	S	.	.			trans	-61.8	134.7	170.3	-70.1	-79	0	0	0	109.3	D620 T636 G638 D640 T642 R644	H618-D620 WeakPolarHBondContact CB-O 3Å; H618-T636 PolarHBondContact NE2-OG1 2.89Å; H618-G638 PolarHBondContact CE1-N 2.96Å; H618-D640 VanDerWaalsContact CA-OD2 3.24Å; H618-D640 WeakPolarHBondContact CA-OD2 3.45Å; H618-D640 IonicContact CE1-OD1 3.67Å; H618-D640 IonicContact CG-OD1 2.68Å; H618-D640 IonicContact CG-OD2 2.64Å; H618-D640 IonicContact ND1-OD1 2.85Å; H618-D640 PolarHBondContact ND1-OD1 2.76Å; H618-D640 IonicContact ND1-OD2 3.13Å; H618-D640 PolarHBondContact ND1-OD2 3.32Å; H618-T642 PolarHBondContact CE1-O 2.98Å; H618-T642 PolarHBondContact CE1-OG1 3.31Å; H618-T642 PolarHBondContact ND1-OG1 3.1Å; H618-T642 VanDerWaalsContact ND1-OG1 3.08Å; H618-R644 PolarHBondContact ND1-NE 2.97Å
619	T	93.6	Very high	93	Very high	123 Å²	123	52.5 Å²	52.5	76%	0.755	28%	0.278	S	S	*	.	S	Bend	trans	-92.6	-0	-176.2	59.5	0	0	0	0	113.7	G617 D640	G617-T619 PolarHBondContact O-N 3.2Å; T619-D640 PolarHBondContact N-OD2 3.25Å; T619-D640 WeakPolarHBondContact OG1-CB 3.42Å
620	D	94.9	Very high	92.6	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	28%	0.284	S	S	.	.	S	Bend	trans	-149.3	168.5	176.1	-168.1	1.2	0	0	0	107.4	G599 H618 A622 L639 D640	G599-D620 WeakPolarHBondContact CA-O 3.47Å; H618-D620 WeakPolarHBondContact CB-O 3Å; D620-A622 PolarHBondContact O-N 3.43Å; D620-L639 HydrophobicContact CB-CB 4.06Å; D620-L639 WeakPolarHBondContact OD2-CB 3.43Å; D620-D640 HydrophobicContact CB-CB 4.14Å
621	G	93.4	Very high	92.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.			trans	-46.7	132.7	-170.2	0	0	0	0	0	114.6	S597 S623 L639	S597-G621 WeakPolarHBondContact O-CA 3.35Å; G621-S623 PolarHBondContact O-N 2.77Å; G621-L639 WeakPolarHBondContact O-CG 3.48Å; G621-L639 PolarHBondContact O-N 2.97Å
622	A	96.5	Very high	92.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.6	173.6	0	0	0	0	0	108.7	Y581 C595 C596 I601 D620	Y581-A622 WeakPolarHBondContact CD2-O 3.47Å; C595-A622 HydrophobicContact CB-CB 3.67Å; C595-A622 VanDerWaalsContact CB-O 3.31Å; C595-A622 WeakPolarHBondContact CB-O 3.43Å; C596-A622 PolarHBondContact O-N 2.92Å; I601-A622 HydrophobicContact CD1-CB 3.43Å; I601-A622 VanDerWaalsContact CD1-CB 3.43Å; D620-A622 PolarHBondContact O-N 3.43Å
623	S	96.1	Very high	92.1	Very high	17 Å²	17	48.6 Å²	48.6	12%	0.119	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-35.6	-170.4	62.6	0	0	0	0	113.1	A582 G621 G637 I663	A582-S623 WeakPolarHBondContact CB-O 3.48Å; G621-S623 PolarHBondContact O-N 2.77Å; S623-G637 PolarHBondContact N-O 2.9Å; S623-G637 PolarHBondContact OG-O 3.34Å; S623-G637 VanDerWaalsContact OG-O 3.09Å; S623-I663 VanDerWaalsContact CB-O 3.3Å; S623-I663 WeakPolarHBondContact CB-O 3.35Å; S623-I663 PolarHBondContact OG-O 3.41Å
624	C	95.9	Very high	92.3	Very high	10 Å²	10	44 Å²	44	7%	0.068	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.8	-169.7	56.9	0	0	0	0	112.5	T636 G637 S665 L666	C624-T636 WeakPolarHBondContact O-CA 3.36Å; C624-G637 PolarHBondContact N-O 2.92Å; C624-G637 PolarHBondContact O-N 2.75Å; C624-S665 VanDerWaalsContact SG-C 3.55Å; C624-L666 HydrophobicContact CB-CG 4.24Å
625	I	96.9	Very high	92.5	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	141.5	-168.6	-175.4	163.9	0	0	0	112	A582 A584 F593 C595 I601 L634 W635 T636	A582-I625 HydrophobicContact CB-CG2 3.71Å; A584-I625 HydrophobicContact CB-CD1 4.23Å; A584-I625 HydrophobicContact CB-CG1 3.9Å; A584-I625 HydrophobicContact CB-CG2 4Å; F593-I625 HydrophobicContact CB-CD1 3.5Å; F593-I625 VanDerWaalsContact CB-CD1 3.5Å; F593-I625 HydrophobicContact CG-CD1 4.45Å; C595-I625 WeakPolarHBondContact SG-CB 3.16Å; I601-I625 HydrophobicContact CG2-CD1 3.86Å; I625-L634 HydrophobicContact CD1-CD1 3.91Å; I625-L634 HydrophobicContact CD1-CD2 4Å; I625-L634 HydrophobicContact CD1-CG 4.12Å; I625-L634 HydrophobicContact CG1-CD1 3.85Å; I625-L634 HydrophobicContact CG1-CG 4.18Å; I625-W635 VanDerWaalsContact CA-O 3.3Å; I625-W635 WeakPolarHBondContact CA-O 3.48Å; I625-T636 HydrophobicContact CB-CG2 4.25Å; I625-T636 HydrophobicContact CD1-CG2 3.96Å; I625-T636 HydrophobicContact CG1-CG2 3.9Å
626	D	95.8	Very high	92.7	Very high	51 Å²	51	41.3 Å²	41.3	27%	0.273	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	164.4	170.2	-155.3	-1.2	0	0	0	110.9	W635 L666 G667 Y668	D626-W635 PolarHBondContact N-O 2.88Å; D626-W635 PolarHBondContact O-N 3.45Å; D626-L666 HydrophobicContact CB-CD1 3.57Å; D626-G667 WeakPolarHBondContact OD2-CA 3.24Å; D626-Y668 PolarHBondContact OD2-N 2.91Å
627	I	94.1	Very high	92.9	Very high	17 Å²	17	35.1 Å²	35.1	9%	0.087	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.4	-176.8	-52.8	179.1	0	0	0	109.3	A584 I585 F593 L634 L648	A584-I627 HydrophobicContact CB-CD1 4.3Å; A584-I627 HydrophobicContact CB-CG1 4.17Å; I585-I627 VanDerWaalsContact O-CD1 3.27Å; I585-I627 WeakPolarHBondContact O-CD1 3.37Å; F593-I627 HydrophobicContact CD2-CD1 3.94Å; F593-I627 HydrophobicContact CE2-CD1 3.8Å; I627-L634 HydrophobicContact CG1-CD1 3.76Å; I627-L648 HydrophobicContact CG2-CD1 4.27Å
628	S	91.7	Very high	93.4	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	19%	0.188	C	C	.	.			trans	-64.6	150.9	173.6	57.9	0	0	0	0	112.2	D630 G631 K633	S628-D630 WeakPolarHBondContact CB-OD1 3.37Å; S628-D630 PolarHBondContact O-N 2.86Å; S628-D630 VanDerWaalsContact O-N 3.13Å; S628-D630 PolarHBondContact OG-OD1 3.08Å; S628-G631 WeakPolarHBondContact O-CA 2.97Å; S628-G631 PolarHBondContact O-N 3.22Å; S628-K633 PolarHBondContact N-O 3Å; S628-K633 WeakPolarHBondContact OG-CA 3.38Å; S628-K633 WeakPolarHBondContact OG-CB 3.33Å; S628-K633 PolarHBondContact OG-N 3.19Å; S628-K633 PolarHBondContact OG-O 2.68Å; S628-K633 VanDerWaalsContact OG-O 3.05Å
629	H	86.4	Confident	93.5	Very high	135 Å²	135	35 Å²	35	63%	0.625	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.3	-177.7	174.6	76.2	0	0	0	114.1	G631 Y668 P670	H629-G631 VanDerWaalsContact C-N 3.26Å; H629-G631 PolarHBondContact O-N 3.21Å; H629-Y668 HydrophobicContact CB-CE1 4.16Å; H629-P670 PolarHBondContact CE1-O 3.04Å; H629-P670 PolarHBondContact ND1-O 2.88Å
630	D	85.6	Confident	93.6	Very high	100 Å²	100	30.2 Å²	30.2	54%	0.535	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.3	177.5	69.8	-14.7	0	0	0	114.1	S628 T632	S628-D630 WeakPolarHBondContact CB-OD1 3.37Å; S628-D630 PolarHBondContact O-N 2.86Å; S628-D630 VanDerWaalsContact O-N 3.13Å; S628-D630 PolarHBondContact OG-OD1 3.08Å; D630-T632 HydrophobicContact CB-CG2 4.26Å; D630-T632 PolarHBondContact O-N 3.2Å; D630-T632 PolarHBondContact OD1-N 3.42Å; D630-T632 PolarHBondContact OD1-OG1 3.02Å; D630-T632 WeakPolarHBondContact OD2-CB 3.33Å; D630-T632 VanDerWaalsContact OD2-CG2 3.3Å; D630-T632 WeakPolarHBondContact OD2-CG2 3.46Å; D630-T632 PolarHBondContact OD2-OG1 3.28Å
631	G	86.4	Confident	93.6	Very high	28 Å²	28	29.3 Å²	29.3	29%	0.289	16%	0.16	S	C	.	.	S	Bend	trans	68.7	10.6	-176.5	0	0	0	0	0	115	S628 H629	S628-G631 WeakPolarHBondContact O-CA 2.97Å; S628-G631 PolarHBondContact O-N 3.22Å; H629-G631 VanDerWaalsContact C-N 3.26Å; H629-G631 PolarHBondContact O-N 3.21Å
632	T	89.1	Confident	93.7	Very high	64 Å²	64	29.7 Å²	29.7	39%	0.393	16%	0.162	S	C	.	.	S	Bend	trans	-93.3	-26.8	-176.3	74.5	0	0	0	0	113.8	D630 L648	D630-T632 HydrophobicContact CB-CG2 4.26Å; D630-T632 PolarHBondContact O-N 3.2Å; D630-T632 PolarHBondContact OD1-N 3.42Å; D630-T632 PolarHBondContact OD1-OG1 3.02Å; D630-T632 WeakPolarHBondContact OD2-CB 3.33Å; D630-T632 VanDerWaalsContact OD2-CG2 3.3Å; D630-T632 WeakPolarHBondContact OD2-CG2 3.46Å; D630-T632 PolarHBondContact OD2-OG1 3.28Å; T632-L648 WeakPolarHBondContact O-CB 3.39Å; T632-L648 PolarHBondContact O-N 3.2Å
633	K	92.4	Very high	93.7	Very high	57 Å²	57	29.7 Å²	29.7	25%	0.248	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.6	-177.2	-59	-176.2	-178.2	-173	0	112.6	S628 W646 L654	S628-K633 PolarHBondContact N-O 3Å; S628-K633 WeakPolarHBondContact OG-CA 3.38Å; S628-K633 WeakPolarHBondContact OG-CB 3.33Å; S628-K633 PolarHBondContact OG-N 3.19Å; S628-K633 PolarHBondContact OG-O 2.68Å; S628-K633 VanDerWaalsContact OG-O 3.05Å; K633-W646 VanDerWaalsContact CA-O 3.23Å; K633-W646 WeakPolarHBondContact CA-O 3.3Å; K633-L654 HydrophobicContact CD-CD1 3.97Å; K633-L654 HydrophobicContact CG-CD1 4.13Å
634	L	95.3	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.8	169.3	-163.2	64.8	0	0	0	109	F593 I601 F615 I625 I627 T636 S645 W646 L648	F593-L634 HydrophobicContact CB-CD1 4.49Å; F593-L634 HydrophobicContact CB-CD2 4.49Å; F593-L634 HydrophobicContact CD1-CD1 4.34Å; F593-L634 HydrophobicContact CD1-CD2 3.77Å; F593-L634 HydrophobicContact CD2-CD1 4.08Å; F593-L634 HydrophobicContact CE1-CD2 4.26Å; F593-L634 HydrophobicContact CE2-CD1 4.44Å; F593-L634 HydrophobicContact CG-CD1 4.04Å; F593-L634 HydrophobicContact CG-CD2 4.16Å; I601-L634 HydrophobicContact CG2-CD2 4.09Å; F615-L634 HydrophobicContact CD2-CD2 3.88Å; F615-L634 HydrophobicContact CE2-CD2 3.73Å; I625-L634 HydrophobicContact CD1-CD1 3.91Å; I625-L634 HydrophobicContact CD1-CD2 4Å; I625-L634 HydrophobicContact CD1-CG 4.12Å; I625-L634 HydrophobicContact CG1-CD1 3.85Å; I625-L634 HydrophobicContact CG1-CG 4.18Å; I627-L634 HydrophobicContact CG1-CD1 3.76Å; L634-T636 HydrophobicContact CD2-CG2 4.31Å; L634-T636 HydrophobicContact CG-CG2 4.26Å; L634-S645 CarbonylContact O-C 3.57Å; L634-S645 VanDerWaalsContact O-CA 3.26Å; L634-S645 WeakPolarHBondContact O-CA 3.29Å; L634-W646 HydrophobicContact CB-CB 4.17Å; L634-W646 PolarHBondContact N-O 2.81Å; L634-W646 PolarHBondContact O-N 2.64Å; L634-L648 HydrophobicContact CB-CD2 3.79Å; L634-L648 HydrophobicContact CB-CG 4.17Å; L634-L648 HydrophobicContact CD1-CD2 4.49Å; L634-L648 HydrophobicContact CD2-CD2 4.15Å; L634-L648 HydrophobicContact CG-CD2 4.4Å
635	W	95.7	Very high	93.6	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.8	171.3	-69.1	90.8	0	0	0	109.3	I625 D626 V643 R644 L666 Y668 L675 H689	I625-W635 VanDerWaalsContact CA-O 3.3Å; I625-W635 WeakPolarHBondContact CA-O 3.48Å; D626-W635 PolarHBondContact N-O 2.88Å; D626-W635 PolarHBondContact O-N 3.45Å; W635-V643 HydrophobicContact CE3-CG1 3.99Å; W635-V643 HydrophobicContact CZ3-CG1 4.45Å; W635-R644 WeakPolarHBondContact CA-O 3.29Å; W635-L666 HydrophobicContact CB-CD1 4.34Å; W635-Y668 AromaticContact CD1-CD2 3.62Å; W635-Y668 HydrophobicContact CG-CD2 4.43Å; W635-Y668 AromaticContact NE1-CD2 3.48Å; W635-Y668 AromaticContact NE1-CE2 3.53Å; W635-L675 HydrophobicContact CB-CD1 4Å; W635-L675 HydrophobicContact CD2-CD1 4.05Å; W635-L675 HydrophobicContact CD2-CD2 4.06Å; W635-L675 HydrophobicContact CE3-CD1 4.37Å; W635-L675 HydrophobicContact CE3-CD2 3.56Å; W635-L675 HydrophobicContact CG-CD1 3.88Å; W635-L675 HydrophobicContact CZ3-CD2 3.88Å; W635-H689 HydrophobicContact CZ2-CB 4.38Å
636	T	96.6	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.5	179.7	59.1	0	0	0	0	111	I601 H618 C624 I625 L634 V643 R644 W646	I601-T636 HydrophobicContact CD1-CG2 3.75Å; I601-T636 HydrophobicContact CG1-CG2 4.03Å; H618-T636 PolarHBondContact NE2-OG1 2.89Å; C624-T636 WeakPolarHBondContact O-CA 3.36Å; I625-T636 HydrophobicContact CB-CG2 4.25Å; I625-T636 HydrophobicContact CD1-CG2 3.96Å; I625-T636 HydrophobicContact CG1-CG2 3.9Å; L634-T636 HydrophobicContact CD2-CG2 4.31Å; L634-T636 HydrophobicContact CG-CG2 4.26Å; T636-V643 CarbonylContact O-C 3.59Å; T636-V643 WeakPolarHBondContact O-CA 3.48Å; T636-R644 PolarHBondContact N-O 2.93Å; T636-R644 PolarHBondContact O-N 2.69Å; T636-W646 PolarHBondContact OG1-NE1 2.96Å
637	G	96.3	Very high	93.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.1	173.8	0	0	0	0	0	110	S623 C624 L666	S623-G637 PolarHBondContact N-O 2.9Å; S623-G637 PolarHBondContact OG-O 3.34Å; S623-G637 VanDerWaalsContact OG-O 3.09Å; C624-G637 PolarHBondContact N-O 2.92Å; C624-G637 PolarHBondContact O-N 2.75Å; G637-L666 VanDerWaalsContact N-CD2 3.31Å
638	G	94.8	Very high	93.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	161.3	-178.5	0	0	0	0	0	113.8	H618 D640 T642 I663	H618-G638 PolarHBondContact CE1-N 2.96Å; G638-D640 WeakPolarHBondContact CA-OD1 3.49Å; G638-D640 PolarHBondContact O-N 2.97Å; G638-T642 PolarHBondContact N-O 3.27Å; G638-I663 PolarHBondContact O-N 3.39Å
639	L	95.9	Very high	92.9	Very high	33 Å²	33	39 Å²	39	17%	0.173	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.7	162.7	-61.2	-178.8	0	0	0	112.1	Y581 D620 G621 N641 Q662 F664	Y581-L639 HydrophobicContact CE2-CD1 4.48Å; D620-L639 HydrophobicContact CB-CB 4.06Å; D620-L639 WeakPolarHBondContact OD2-CB 3.43Å; G621-L639 WeakPolarHBondContact O-CG 3.48Å; G621-L639 PolarHBondContact O-N 2.97Å; L639-N641 PolarHBondContact O-N 3.06Å; L639-Q662 HydrophobicContact CD2-CB 4.28Å; L639-Q662 WeakPolarHBondContact O-CG 3.49Å; L639-Q662 PolarHBondContact O-NE2 3.47Å; L639-F664 HydrophobicContact CD2-CD1 3.88Å; L639-F664 HydrophobicContact CD2-CE1 3.65Å
640	D	95.1	Very high	92.9	Very high	23 Å²	23	38 Å²	38	12%	0.123	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	14.1	172.4	74.4	-19.4	0	0	0	114.3	H618 T619 D620 G638 T642 R644	H618-D640 VanDerWaalsContact CA-OD2 3.24Å; H618-D640 WeakPolarHBondContact CA-OD2 3.45Å; H618-D640 IonicContact CE1-OD1 3.67Å; H618-D640 IonicContact CG-OD1 2.68Å; H618-D640 IonicContact CG-OD2 2.64Å; H618-D640 IonicContact ND1-OD1 2.85Å; H618-D640 PolarHBondContact ND1-OD1 2.76Å; H618-D640 IonicContact ND1-OD2 3.13Å; H618-D640 PolarHBondContact ND1-OD2 3.32Å; T619-D640 PolarHBondContact N-OD2 3.25Å; T619-D640 WeakPolarHBondContact OG1-CB 3.42Å; D620-D640 HydrophobicContact CB-CB 4.14Å; G638-D640 WeakPolarHBondContact CA-OD1 3.49Å; G638-D640 PolarHBondContact O-N 2.97Å; D640-T642 PolarHBondContact O-N 2.94Å; D640-T642 WeakPolarHBondContact OD1-CB 3.39Å; D640-T642 PolarHBondContact OD1-N 3.45Å; D640-T642 VanDerWaalsContact OD1-N 3.08Å; D640-T642 PolarHBondContact OD1-OG1 3.49Å; D640-T642 PolarHBondContact OD2-OG1 3.16Å; D640-R644 IonicContact OD2-CZ 2.71Å; D640-R644 IonicContact OD2-NE 2.77Å; D640-R644 IonicContact OD2-NH2 3.37Å; D640-R644 PolarHBondContact OD2-NH2 3.03Å
641	N	95.9	Very high	92.9	Very high	53 Å²	53	34.3 Å²	34.3	28%	0.283	17%	0.172	S	C	.	.	S	Bend	trans	59.5	16.7	-173.4	-53.2	-19.5	0	0	0	115	L639 F659 S661 Q662	L639-N641 PolarHBondContact O-N 3.06Å; N641-F659 WeakPolarHBondContact CB-O 3.5Å; N641-F659 WeakPolarHBondContact O-CB 3.37Å; N641-F659 PolarHBondContact O-N 3.39Å; N641-S661 PolarHBondContact OD1-O 2.93Å; N641-Q662 VanDerWaalsContact OD1-CA 3.3Å; N641-Q662 WeakPolarHBondContact OD1-CA 3.35Å; N641-Q662 WeakPolarHBondContact OD1-CG 3.46Å; N641-Q662 PolarHBondContact OD1-N 2.93Å
642	T	95.9	Very high	92.9	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.2	178.9	74.8	0	0	0	0	113.2	H618 G638 D640 R644 Q656 H657 D658	H618-T642 PolarHBondContact CE1-O 2.98Å; H618-T642 PolarHBondContact CE1-OG1 3.31Å; H618-T642 PolarHBondContact ND1-OG1 3.1Å; H618-T642 VanDerWaalsContact ND1-OG1 3.08Å; G638-T642 PolarHBondContact N-O 3.27Å; D640-T642 PolarHBondContact O-N 2.94Å; D640-T642 WeakPolarHBondContact OD1-CB 3.39Å; D640-T642 PolarHBondContact OD1-N 3.45Å; D640-T642 VanDerWaalsContact OD1-N 3.08Å; D640-T642 PolarHBondContact OD1-OG1 3.49Å; D640-T642 PolarHBondContact OD2-OG1 3.16Å; T642-R644 PolarHBondContact OG1-NE 2.85Å; T642-Q656 HydrophobicContact CG2-CG 4.33Å; T642-H657 WeakPolarHBondContact CA-O 3.42Å; T642-D658 WeakPolarHBondContact CG2-OD1 3.26Å
643	V	96.4	Very high	93.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.3	158.6	177.6	0	0	0	0	108.5	W635 T636 Q656 H657 F659 I663 L666 L675 V677	W635-V643 HydrophobicContact CE3-CG1 3.99Å; W635-V643 HydrophobicContact CZ3-CG1 4.45Å; T636-V643 CarbonylContact O-C 3.59Å; T636-V643 WeakPolarHBondContact O-CA 3.48Å; V643-Q656 CarbonylContact O-C 3.51Å; V643-Q656 WeakPolarHBondContact O-CA 3.19Å; V643-H657 HydrophobicContact CB-CB 4.48Å; V643-H657 PolarHBondContact N-O 3.06Å; V643-H657 PolarHBondContact O-N 2.9Å; V643-F659 HydrophobicContact CB-CE2 3.81Å; V643-F659 HydrophobicContact CG2-CD2 4.21Å; V643-F659 HydrophobicContact CG2-CE2 3.49Å; V643-F659 VanDerWaalsContact CG2-CE2 3.49Å; V643-F659 HydrophobicContact CG2-CZ 4.09Å; V643-I663 HydrophobicContact CG2-CD1 4.18Å; V643-I663 HydrophobicContact CG2-CG1 3.78Å; V643-L666 HydrophobicContact CG1-CD2 4.36Å; V643-L675 HydrophobicContact CG1-CD2 3.9Å; V643-V677 HydrophobicContact CG2-CG1 3.95Å; V643-V677 HydrophobicContact CG2-CG2 4.12Å
644	R	95.3	Very high	93	Very high	18 Å²	18	39 Å²	39	7%	0.068	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.5	-176.3	-64.5	172.7	-168.5	-123.6	9.8	110.1	G617 H618 W635 T636 D640 T642 W646 Q653 Q655 Q656	G617-R644 PolarHBondContact O-NH1 3.34Å; G617-R644 PolarHBondContact O-NH2 3.31Å; H618-R644 PolarHBondContact ND1-NE 2.97Å; W635-R644 WeakPolarHBondContact CA-O 3.29Å; T636-R644 PolarHBondContact N-O 2.93Å; T636-R644 PolarHBondContact O-N 2.69Å; D640-R644 IonicContact OD2-CZ 2.71Å; D640-R644 IonicContact OD2-NE 2.77Å; D640-R644 IonicContact OD2-NH2 3.37Å; D640-R644 PolarHBondContact OD2-NH2 3.03Å; T642-R644 PolarHBondContact OG1-NE 2.85Å; R644-W646 HydrophobicContact CB-CZ2 3.95Å; R644-Q653 HydrophobicContact CB-CG 4.41Å; R644-Q655 WeakPolarHBondContact CA-O 3.44Å; R644-Q656 HydrophobicContact CG-CG 4.15Å
645	S	94.8	Very high	92.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.8	166.8	78.2	0	0	0	0	110.6	L634 Q653 L654 Q655	L634-S645 CarbonylContact O-C 3.57Å; L634-S645 VanDerWaalsContact O-CA 3.26Å; L634-S645 WeakPolarHBondContact O-CA 3.29Å; S645-Q653 CarbonylContact O-C 3.58Å; S645-Q653 WeakPolarHBondContact O-CA 3.27Å; S645-L654 PolarHBondContact O-N 3.03Å; S645-Q655 PolarHBondContact N-O 2.73Å; S645-Q655 WeakPolarHBondContact OG-CB 3.43Å; S645-Q655 PolarHBondContact OG-N 2.68Å; S645-Q655 PolarHBondContact OG-OE1 3.04Å
646	W	94.6	Very high	92.7	Very high	6 Å²	6	45 Å²	45	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.8	-176.8	-45.3	82.6	0	0	0	110.2	F615 Q616 K633 L634 T636 R644 R652 Q653	F615-W646 HydrophobicContact CB-CD2 4.05Å; F615-W646 HydrophobicContact CB-CE3 3.78Å; F615-W646 HydrophobicContact CB-CH2 4.21Å; F615-W646 HydrophobicContact CB-CZ2 4.43Å; F615-W646 HydrophobicContact CB-CZ3 3.88Å; F615-W646 HydrophobicContact CD1-CE3 4.32Å; F615-W646 HydrophobicContact CG-CD2 4.26Å; F615-W646 HydrophobicContact CG-CE3 4.11Å; Q616-W646 WeakPolarHBondContact O-CH2 3.37Å; K633-W646 VanDerWaalsContact CA-O 3.23Å; K633-W646 WeakPolarHBondContact CA-O 3.3Å; L634-W646 HydrophobicContact CB-CB 4.17Å; L634-W646 PolarHBondContact N-O 2.81Å; L634-W646 PolarHBondContact O-N 2.64Å; T636-W646 PolarHBondContact OG1-NE1 2.96Å; R644-W646 HydrophobicContact CB-CZ2 3.95Å; W646-R652 CarbonylContact C-O 3.52Å; W646-R652 WeakPolarHBondContact CA-O 3.37Å; W646-Q653 HydrophobicContact CE3-CB 3.87Å; W646-Q653 HydrophobicContact CE3-CG 4.34Å; W646-Q653 HydrophobicContact CH2-CB 4.45Å; W646-Q653 HydrophobicContact CH2-CG 4.47Å; W646-Q653 HydrophobicContact CZ3-CB 3.79Å; W646-Q653 HydrophobicContact CZ3-CG 4.24Å
647	D	92.8	Very high	92.5	Very high	29 Å²	29	47.6 Å²	47.6	16%	0.155	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.3	167.8	-166.6	-64.8	0	0	0	109.4	R649 E650 G651 R652 L654	D647-R649 VanDerWaalsContact C-N 3.31Å; D647-R649 PolarHBondContact O-N 3.19Å; D647-R649 WeakPolarHBondContact OD1-CA 3.3Å; D647-R649 VanDerWaalsContact OD1-CB 3.31Å; D647-R649 WeakPolarHBondContact OD1-CB 3.34Å; D647-R649 PolarHBondContact OD1-N 2.94Å; D647-E650 HydrophobicContact CB-CB 4.08Å; D647-E650 PolarHBondContact OD1-N 3.03Å; D647-G651 WeakPolarHBondContact O-CA 3.5Å; D647-G651 PolarHBondContact O-N 2.92Å; D647-R652 PolarHBondContact N-O 3.29Å; D647-L654 HydrophobicContact CB-CD1 3.87Å; D647-L654 HydrophobicContact CB-CD2 4.11Å; D647-L654 HydrophobicContact CB-CG 3.95Å
648	L	89.2	Confident	92.3	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.188	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.7	-179	-72.7	177.2	0	0	0	113	F593 R613 F615 I627 T632 L634	F593-L648 HydrophobicContact CD1-CD2 4.33Å; F593-L648 HydrophobicContact CE1-CD2 3.37Å; F593-L648 HydrophobicContact CE2-CD2 4.41Å; F593-L648 HydrophobicContact CZ-CD1 4.07Å; F593-L648 HydrophobicContact CZ-CD2 3.42Å; F593-L648 VanDerWaalsContact CZ-CD2 3.42Å; F593-L648 HydrophobicContact CZ-CG 4.37Å; R613-L648 PolarHBondContact NH1-O 3.2Å; F615-L648 HydrophobicContact CE2-CD2 4.02Å; F615-L648 HydrophobicContact CZ-CD2 4.08Å; I627-L648 HydrophobicContact CG2-CD1 4.27Å; T632-L648 WeakPolarHBondContact O-CB 3.39Å; T632-L648 PolarHBondContact O-N 3.2Å; L634-L648 HydrophobicContact CB-CD2 3.79Å; L634-L648 HydrophobicContact CB-CG 4.17Å; L634-L648 HydrophobicContact CD1-CD2 4.49Å; L634-L648 HydrophobicContact CD2-CD2 4.15Å; L634-L648 HydrophobicContact CG-CD2 4.4Å
649	R	87.1	Confident	92.3	Very high	223 Å²	223	54.6 Å²	54.6	84%	0.842	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-63.8	180	-179.8	-177.9	-178.8	173.1	0.1	110.3	R613 D647 G651	R613-R649 PolarHBondContact NH1-O 2.89Å; R613-R649 VanDerWaalsContact NH1-O 3.14Å; R613-R649 PolarHBondContact NH2-O 3.38Å; D647-R649 VanDerWaalsContact C-N 3.31Å; D647-R649 PolarHBondContact O-N 3.19Å; D647-R649 WeakPolarHBondContact OD1-CA 3.3Å; D647-R649 VanDerWaalsContact OD1-CB 3.31Å; D647-R649 WeakPolarHBondContact OD1-CB 3.34Å; D647-R649 PolarHBondContact OD1-N 2.94Å; R649-G651 VanDerWaalsContact C-N 3.29Å; R649-G651 PolarHBondContact O-N 2.91Å
650	E	85.5	Confident	92.1	Very high	115 Å²	115	58.9 Å²	58.9	54%	0.537	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.1	179.7	-61.2	-170.1	172	0	0	111.7	D647 R652	D647-E650 HydrophobicContact CB-CB 4.08Å; D647-E650 PolarHBondContact OD1-N 3.03Å; E650-R652 HydrophobicContact CB-CG 4.31Å; E650-R652 IonicContact OE2-CZ 3.2Å; E650-R652 IonicContact OE2-NE 3.61Å; E650-R652 PolarHBondContact OE2-NE 3.09Å; E650-R652 IonicContact OE2-NH2 2.62Å; E650-R652 PolarHBondContact OE2-NH2 3.08Å
651	G	86	Confident	92.1	Very high	21 Å²	21	58.7 Å²	58.7	22%	0.216	28%	0.284	C	S	.	.			trans	86.3	26.2	172.1	0	0	0	0	0	115.4	R613 D647 R649	R613-G651 VanDerWaalsContact NH1-CA 3.27Å; D647-G651 WeakPolarHBondContact O-CA 3.5Å; D647-G651 PolarHBondContact O-N 2.92Å; R649-G651 VanDerWaalsContact C-N 3.29Å; R649-G651 PolarHBondContact O-N 2.91Å
652	R	87.2	Confident	92.1	Very high	133 Å²	133	58.6 Å²	58.6	50%	0.502	28%	0.281	S	S	.	.	S	Bend	trans	-126.3	162	-176.3	64.5	175.3	175.5	98.1	3.8	112.3	W646 D647 E650	W646-R652 CarbonylContact C-O 3.52Å; W646-R652 WeakPolarHBondContact CA-O 3.37Å; D647-R652 PolarHBondContact N-O 3.29Å; E650-R652 HydrophobicContact CB-CG 4.31Å; E650-R652 IonicContact OE2-CZ 3.2Å; E650-R652 IonicContact OE2-NE 3.61Å; E650-R652 PolarHBondContact OE2-NE 3.09Å; E650-R652 IonicContact OE2-NH2 2.62Å; E650-R652 PolarHBondContact OE2-NH2 3.08Å
653	Q	92.6	Very high	92.2	Very high	58 Å²	58	58.2 Å²	58.2	27%	0.271	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.2	170.6	-159	176.8	-61.1	0	0	110.4	R644 S645 W646	R644-Q653 HydrophobicContact CB-CG 4.41Å; S645-Q653 CarbonylContact O-C 3.58Å; S645-Q653 WeakPolarHBondContact O-CA 3.27Å; W646-Q653 HydrophobicContact CE3-CB 3.87Å; W646-Q653 HydrophobicContact CE3-CG 4.34Å; W646-Q653 HydrophobicContact CH2-CB 4.45Å; W646-Q653 HydrophobicContact CH2-CG 4.47Å; W646-Q653 HydrophobicContact CZ3-CB 3.79Å; W646-Q653 HydrophobicContact CZ3-CG 4.24Å
654	L	90.9	Very high	92.2	Very high	56 Å²	56	60.7 Å²	60.7	29%	0.293	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-48.3	179.2	-69.5	-179.6	0	0	0	112.1	K633 S645 D647	K633-L654 HydrophobicContact CD-CD1 3.97Å; K633-L654 HydrophobicContact CG-CD1 4.13Å; S645-L654 PolarHBondContact O-N 3.03Å; D647-L654 HydrophobicContact CB-CD1 3.87Å; D647-L654 HydrophobicContact CB-CD2 4.11Å; D647-L654 HydrophobicContact CB-CG 3.95Å
655	Q	90.4	Very high	92.2	Very high	52 Å²	52	60.1 Å²	60.1	24%	0.243	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.3	179.7	-59.9	158.5	-87.2	0	0	109.7	R644 S645 H689	R644-Q655 WeakPolarHBondContact CA-O 3.44Å; S645-Q655 PolarHBondContact N-O 2.73Å; S645-Q655 WeakPolarHBondContact OG-CB 3.43Å; S645-Q655 PolarHBondContact OG-N 2.68Å; S645-Q655 PolarHBondContact OG-OE1 3.04Å; Q655-H689 PolarHBondContact NE2-O 2.92Å
656	Q	93.3	Very high	92.3	Very high	80 Å²	80	60.6 Å²	60.6	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.8	169.1	-169.3	170.7	-50.6	0	0	108.1	T642 V643 R644 D658	T642-Q656 HydrophobicContact CG2-CG 4.33Å; V643-Q656 CarbonylContact O-C 3.51Å; V643-Q656 WeakPolarHBondContact O-CA 3.19Å; R644-Q656 HydrophobicContact CG-CG 4.15Å; Q656-D658 WeakPolarHBondContact CG-OD1 3.49Å; Q656-D658 PolarHBondContact NE2-OD1 3.36Å
657	H	92	Very high	92.4	Very high	55 Å²	55	60.4 Å²	60.4	26%	0.255	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.7	173.7	-62.4	-97.2	0	0	0	107	T642 V643 F659 L687	T642-H657 WeakPolarHBondContact CA-O 3.42Å; V643-H657 HydrophobicContact CB-CB 4.48Å; V643-H657 PolarHBondContact N-O 3.06Å; V643-H657 PolarHBondContact O-N 2.9Å; H657-F659 HydrophobicContact CB-CE2 3.65Å; H657-F659 HydrophobicContact CB-CZ 4.1Å; H657-F659 VanDerWaalsContact O-CD2 3.27Å; H657-F659 WeakPolarHBondContact O-CD2 3.4Å; H657-F659 VanDerWaalsContact O-CE2 3.28Å; H657-F659 WeakPolarHBondContact O-CE2 3.07Å; H657-L687 HydrophobicContact CB-CD2 4.49Å
658	D	93.4	Very high	92.5	Very high	118 Å²	118	60 Å²	60	63%	0.631	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.3	-178.4	-53.4	-43.9	0	0	0	109.8	T642 Q656	T642-D658 WeakPolarHBondContact CG2-OD1 3.26Å; Q656-D658 WeakPolarHBondContact CG-OD1 3.49Å; Q656-D658 PolarHBondContact NE2-OD1 3.36Å
659	F	94	Very high	92.7	Very high	28 Å²	28	58.2 Å²	58.2	12%	0.123	28%	0.278	C	S	.	.			trans	-117.5	169.9	-177.1	-63	-99.7	0	0	0	111.4	N641 V643 H657 S661 I663 V677 M679 E685 L687	N641-F659 WeakPolarHBondContact CB-O 3.5Å; N641-F659 WeakPolarHBondContact O-CB 3.37Å; N641-F659 PolarHBondContact O-N 3.39Å; V643-F659 HydrophobicContact CB-CE2 3.81Å; V643-F659 HydrophobicContact CG2-CD2 4.21Å; V643-F659 HydrophobicContact CG2-CE2 3.49Å; V643-F659 VanDerWaalsContact CG2-CE2 3.49Å; V643-F659 HydrophobicContact CG2-CZ 4.09Å; H657-F659 HydrophobicContact CB-CE2 3.65Å; H657-F659 HydrophobicContact CB-CZ 4.1Å; H657-F659 VanDerWaalsContact O-CD2 3.27Å; H657-F659 WeakPolarHBondContact O-CD2 3.4Å; H657-F659 VanDerWaalsContact O-CE2 3.28Å; H657-F659 WeakPolarHBondContact O-CE2 3.07Å; F659-S661 VanDerWaalsContact C-N 3.32Å; F659-I663 HydrophobicContact CB-CD1 4.38Å; F659-I663 HydrophobicContact CD2-CD1 3.96Å; F659-I663 HydrophobicContact CG-CD1 4.37Å; F659-V677 HydrophobicContact CZ-CG1 4.45Å; F659-M679 HydrophobicContact CB-SD 3.94Å; F659-M679 HydrophobicContact CD1-CE 4.37Å; F659-M679 HydrophobicContact CD1-SD 3.45Å; F659-M679 WeakPolarHBondContact CD1-SD 3.46Å; F659-M679 HydrophobicContact CE1-SD 4.24Å; F659-M679 HydrophobicContact CG-SD 3.96Å; F659-E685 HydrophobicContact CE1-CB 4.5Å; F659-E685 WeakPolarHBondContact CE1-OE2 3.4Å; F659-L687 HydrophobicContact CE1-CD1 4.31Å; F659-L687 HydrophobicContact CE1-CD2 4.48Å; F659-L687 HydrophobicContact CZ-CD1 4.05Å; F659-L687 HydrophobicContact CZ-CD2 3.94Å
660	T	92.1	Very high	92.9	Very high	123 Å²	123	49.4 Å²	49.4	76%	0.755	25%	0.249	S	C	*	.	S	Bend	trans	-83.4	-4.6	-179.6	59	0	0	0	0	114.1
661	S	95.1	Very high	93.1	Very high	20 Å²	20	48.3 Å²	48.3	14%	0.14	25%	0.251	C	S	.	.	S	Bend	trans	-159.8	163.6	-166.8	-47.2	0	0	0	0	110.6	N641 F659 S681	N641-S661 PolarHBondContact OD1-O 2.93Å; F659-S661 VanDerWaalsContact C-N 3.32Å; S661-S681 WeakPolarHBondContact OG-CB 3.45Å
662	Q	96	Very high	92.7	Very high	50 Å²	50	47.8 Å²	47.8	23%	0.234	25%	0.245	C	C	.	.			trans	-66.4	145.9	-175	-58.4	-165.8	-41.1	0	0	111.7	L639 N641 F664 M679 E680	L639-Q662 HydrophobicContact CD2-CB 4.28Å; L639-Q662 WeakPolarHBondContact O-CG 3.49Å; L639-Q662 PolarHBondContact O-NE2 3.47Å; N641-Q662 VanDerWaalsContact OD1-CA 3.3Å; N641-Q662 WeakPolarHBondContact OD1-CA 3.35Å; N641-Q662 WeakPolarHBondContact OD1-CG 3.46Å; N641-Q662 PolarHBondContact OD1-N 2.93Å; Q662-F664 HydrophobicContact CB-CE1 4.04Å; Q662-F664 HydrophobicContact CB-CZ 4.3Å; Q662-M679 CarbonylContact O-C 3.53Å; Q662-M679 WeakPolarHBondContact O-CA 3.44Å; Q662-E680 HydrophobicContact CB-CB 4.2Å; Q662-E680 PolarHBondContact O-N 3.21Å
663	I	97.3	Very high	92.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.8	170.6	-61.5	81.9	0	0	0	107.5	S623 G638 V643 F659 S665 V677	S623-I663 VanDerWaalsContact CB-O 3.3Å; S623-I663 WeakPolarHBondContact CB-O 3.35Å; S623-I663 PolarHBondContact OG-O 3.41Å; G638-I663 PolarHBondContact O-N 3.39Å; V643-I663 HydrophobicContact CG2-CD1 4.18Å; V643-I663 HydrophobicContact CG2-CG1 3.78Å; F659-I663 HydrophobicContact CB-CD1 4.38Å; F659-I663 HydrophobicContact CD2-CD1 3.96Å; F659-I663 HydrophobicContact CG-CD1 4.37Å; I663-S665 WeakPolarHBondContact CG2-O 3.47Å; I663-V677 HydrophobicContact CB-CG1 4.38Å; I663-V677 HydrophobicContact CG1-CG1 3.74Å; I663-V677 HydrophobicContact CG2-CG1 3.7Å
664	F	96.5	Very high	92.7	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.237	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-25.9	173.1	-63.9	-39.4	0	0	0	112.9	L639 Q662 G678 E680 C703 L705	L639-F664 HydrophobicContact CD2-CD1 3.88Å; L639-F664 HydrophobicContact CD2-CE1 3.65Å; Q662-F664 HydrophobicContact CB-CE1 4.04Å; Q662-F664 HydrophobicContact CB-CZ 4.3Å; F664-G678 PolarHBondContact N-O 2.97Å; F664-G678 VanDerWaalsContact N-O 3.08Å; F664-E680 HydrophobicContact CD2-CB 4.3Å; F664-E680 HydrophobicContact CE2-CB 3.6Å; F664-E680 HydrophobicContact CE2-CG 3.81Å; F664-E680 HydrophobicContact CZ-CB 3.95Å; F664-E680 HydrophobicContact CZ-CG 4.01Å; F664-C703 HydrophobicContact CD2-CB 3.93Å; F664-C703 HydrophobicContact CE2-CB 3.76Å; F664-L705 HydrophobicContact CD2-CD2 4.48Å
665	S	96.3	Very high	92.9	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.035	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.8	179.2	54.7	0	0	0	0	112.1	C624 I663 G678 V704	C624-S665 VanDerWaalsContact SG-C 3.55Å; I663-S665 WeakPolarHBondContact CG2-O 3.47Å; S665-G678 PolarHBondContact N-O 3.48Å; S665-G678 PolarHBondContact O-N 3.32Å; S665-V704 PolarHBondContact OG-O 3.04Å; S665-V704 VanDerWaalsContact OG-O 3.05Å
666	L	96.6	Very high	93.2	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	164.3	167.4	67.6	77	0	0	0	109.7	C624 D626 W635 G637 V643 L675 A676 V677	C624-L666 HydrophobicContact CB-CG 4.24Å; D626-L666 HydrophobicContact CB-CD1 3.57Å; W635-L666 HydrophobicContact CB-CD1 4.34Å; G637-L666 VanDerWaalsContact N-CD2 3.31Å; V643-L666 HydrophobicContact CG1-CD2 4.36Å; L666-L675 HydrophobicContact CD1-CD1 4.34Å; L666-A676 CarbonylContact C-O 3.59Å; L666-A676 WeakPolarHBondContact CA-O 3.48Å; L666-A676 WeakPolarHBondContact CB-O 3.34Å; L666-V677 HydrophobicContact CB-CG2 4.44Å
667	G	95.9	Very high	93.4	Very high	2 Å²	2	36 Å²	36	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	143.6	168.6	0	0	0	0	0	110.5	D626 L675 A676 F709	D626-G667 WeakPolarHBondContact OD2-CA 3.24Å; G667-L675 WeakPolarHBondContact O-CD1 3.49Å; G667-A676 PolarHBondContact N-O 2.89Å; G667-A676 PolarHBondContact O-N 3.04Å; G667-F709 VanDerWaalsContact O-CE2 3.26Å; G667-F709 WeakPolarHBondContact O-CE2 3.44Å
668	Y	95.3	Very high	93.6	Very high	20 Å²	20	33.4 Å²	33.4	8%	0.078	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.2	173.3	-167.3	-93.3	0	0	0	109.7	D626 H629 W635 P670 L675	D626-Y668 PolarHBondContact OD2-N 2.91Å; H629-Y668 HydrophobicContact CB-CE1 4.16Å; W635-Y668 AromaticContact CD1-CD2 3.62Å; W635-Y668 HydrophobicContact CG-CD2 4.43Å; W635-Y668 AromaticContact NE1-CD2 3.48Å; W635-Y668 AromaticContact NE1-CE2 3.53Å; Y668-P670 VanDerWaalsContact O-CD 3.3Å; Y668-P670 WeakPolarHBondContact O-CD 3.28Å; Y668-L675 HydrophobicContact CD2-CD1 4Å
669	C	94.3	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.			trans	-71	125.4	-179	-173.3	0	0	0	0	110.9	T671 G672 W674 F709	C669-T671 PolarHBondContact O-N 3.45Å; C669-T671 PolarHBondContact SG-OG1 3.13Å; C669-G672 WeakPolarHBondContact CB-O 3.27Å; C669-G672 PolarHBondContact O-N 3.5Å; C669-W674 HydrophobicContact CB-CB 4.13Å; C669-W674 WeakPolarHBondContact CB-O 3.47Å; C669-W674 PolarHBondContact N-O 2.88Å; C669-F709 HydrophobicContact CB-CD1 4.05Å; C669-F709 HydrophobicContact CB-CE1 3.74Å; C669-F709 HydrophobicContact CB-CZ 4.04Å
670	P	91	Very high	93.8	Very high	37 Å²	37	30.6 Å²	30.6	24%	0.24	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.3	-179.2	-29.5	39.1	0	0	0	115.9	H629 Y668 F709 A710 Y711	H629-P670 PolarHBondContact CE1-O 3.04Å; H629-P670 PolarHBondContact ND1-O 2.88Å; Y668-P670 VanDerWaalsContact O-CD 3.3Å; Y668-P670 WeakPolarHBondContact O-CD 3.28Å; P670-F709 VanDerWaalsContact CD-CB 3.47Å; P670-F709 HydrophobicContact CG-CB 4.08Å; P670-A710 WeakPolarHBondContact CG-O 3.17Å; P670-Y711 WeakPolarHBondContact CB-O 3.31Å
671	T	88.6	Confident	93.8	Very high	92 Å²	92	26.5 Å²	26.5	56%	0.564	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.5	170.8	54.8	0	0	0	0	113.5	C669	C669-T671 PolarHBondContact O-N 3.45Å; C669-T671 PolarHBondContact SG-OG1 3.13Å
672	G	78.6	Confident	93.7	Very high	10 Å²	10	26.8 Å²	26.8	10%	0.103	14%	0.143	C	C	.	.	S	Bend	trans	84.8	-164.3	-170.1	0	0	0	0	0	113.6	C669 W674	C669-G672 WeakPolarHBondContact CB-O 3.27Å; C669-G672 PolarHBondContact O-N 3.5Å; G672-W674 PolarHBondContact O-N 3.38Å
673	E	86.9	Confident	93.7	Very high	106 Å²	106	25.7 Å²	25.7	50%	0.495	14%	0.139	S	C	.	.	S	Bend	trans	65.2	-50.2	179.6	-57.1	-176.7	165.6	0	0	117	H689	E673-H689 WeakPolarHBondContact O-CB 3.34Å; E673-H689 PolarHBondContact O-CD2 3.48Å; E673-H689 PolarHBondContact O-N 2.8Å
674	W	93.1	Very high	93.6	Very high	24 Å²	24	25.7 Å²	25.7	9%	0.091	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.7	-163.6	-56	92.9	0	0	0	113.9	C669 G672 V686 L687 H688 Y695 P731	C669-W674 HydrophobicContact CB-CB 4.13Å; C669-W674 WeakPolarHBondContact CB-O 3.47Å; C669-W674 PolarHBondContact N-O 2.88Å; G672-W674 PolarHBondContact O-N 3.38Å; W674-V686 HydrophobicContact CB-CG1 4.17Å; W674-V686 HydrophobicContact CE3-CG1 4.08Å; W674-L687 WeakPolarHBondContact CA-O 3.33Å; W674-H688 HydrophobicContact CE3-CB 4.08Å; W674-H688 HydrophobicContact CH2-CB 4.21Å; W674-H688 AromaticContact CH2-CD2 3.57Å; W674-H688 AromaticContact CZ2-CD2 3.6Å; W674-H688 HydrophobicContact CZ3-CB 3.77Å; W674-H688 AromaticContact CZ3-CD2 3.99Å; W674-Y695 HydrophobicContact CH2-CD2 4.46Å; W674-Y695 AromaticContact CH2-CE2 3.75Å; W674-Y695 HydrophobicContact CH2-CE2 3.75Å; W674-Y695 HydrophobicContact CZ3-CD2 4.06Å; W674-Y695 AromaticContact CZ3-CE2 3.8Å; W674-Y695 HydrophobicContact CZ3-CE2 3.8Å; W674-P731 HydrophobicContact CD2-CB 3.41Å; W674-P731 VanDerWaalsContact CD2-CB 3.41Å; W674-P731 HydrophobicContact CD2-CG 4.2Å; W674-P731 VanDerWaalsContact CE2-CB 3.43Å; W674-P731 HydrophobicContact CE3-CB 3.76Å; W674-P731 HydrophobicContact CG-CB 3.82Å; W674-P731 HydrophobicContact CH2-CB 4.1Å; W674-P731 HydrophobicContact CH2-CG 4.15Å; W674-P731 HydrophobicContact CZ2-CB 3.81Å; W674-P731 HydrophobicContact CZ2-CG 3.68Å; W674-P731 HydrophobicContact CZ3-CB 4.09Å
675	L	95.3	Very high	93.5	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.9	171.8	-179.5	83.2	0	0	0	108.1	W635 V643 L666 G667 Y668 V677 V686 L687	W635-L675 HydrophobicContact CB-CD1 4Å; W635-L675 HydrophobicContact CD2-CD1 4.05Å; W635-L675 HydrophobicContact CD2-CD2 4.06Å; W635-L675 HydrophobicContact CE3-CD1 4.37Å; W635-L675 HydrophobicContact CE3-CD2 3.56Å; W635-L675 HydrophobicContact CG-CD1 3.88Å; W635-L675 HydrophobicContact CZ3-CD2 3.88Å; V643-L675 HydrophobicContact CG1-CD2 3.9Å; L666-L675 HydrophobicContact CD1-CD1 4.34Å; G667-L675 WeakPolarHBondContact O-CD1 3.49Å; Y668-L675 HydrophobicContact CD2-CD1 4Å; L675-V677 HydrophobicContact CD2-CG2 3.93Å; L675-V677 HydrophobicContact CG-CG2 4.19Å; L675-V686 CarbonylContact O-C 3.58Å; L675-V686 WeakPolarHBondContact O-CA 3.38Å; L675-L687 PolarHBondContact N-O 3.03Å; L675-L687 PolarHBondContact O-N 3.35Å
676	A	96.2	Very high	93.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.2	172	0	0	0	0	0	110.8	L666 G667 V684 E685 V686 L707 F709 F716	L666-A676 CarbonylContact C-O 3.59Å; L666-A676 WeakPolarHBondContact CA-O 3.48Å; L666-A676 WeakPolarHBondContact CB-O 3.34Å; G667-A676 PolarHBondContact N-O 2.89Å; G667-A676 PolarHBondContact O-N 3.04Å; A676-V684 HydrophobicContact CB-CG1 4.48Å; A676-E685 CarbonylContact C-O 3.54Å; A676-E685 WeakPolarHBondContact CA-O 3.35Å; A676-V686 HydrophobicContact CB-CG2 4.08Å; A676-L707 HydrophobicContact CB-CD1 3.67Å; A676-L707 HydrophobicContact CB-CD2 3.87Å; A676-L707 HydrophobicContact CB-CG 4.43Å; A676-F709 HydrophobicContact CB-CE2 3.63Å; A676-F709 HydrophobicContact CB-CZ 3.77Å; A676-F716 HydrophobicContact CB-CE2 4.26Å; A676-F716 HydrophobicContact CB-CZ 4.32Å
677	V	96.9	Very high	93.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.1	-171.2	-178.7	0	0	0	0	108.7	V643 F659 I663 L666 L675 M679 V684 E685 L687	V643-V677 HydrophobicContact CG2-CG1 3.95Å; V643-V677 HydrophobicContact CG2-CG2 4.12Å; F659-V677 HydrophobicContact CZ-CG1 4.45Å; I663-V677 HydrophobicContact CB-CG1 4.38Å; I663-V677 HydrophobicContact CG1-CG1 3.74Å; I663-V677 HydrophobicContact CG2-CG1 3.7Å; L666-V677 HydrophobicContact CB-CG2 4.44Å; L675-V677 HydrophobicContact CD2-CG2 3.93Å; L675-V677 HydrophobicContact CG-CG2 4.19Å; V677-M679 HydrophobicContact CG1-CG 4.27Å; V677-V684 CarbonylContact O-C 3.6Å; V677-V684 WeakPolarHBondContact O-CA 3.46Å; V677-E685 PolarHBondContact N-O 2.9Å; V677-E685 PolarHBondContact O-N 3.37Å; V677-L687 HydrophobicContact CB-CD1 4.3Å; V677-L687 HydrophobicContact CG2-CD1 3.7Å
678	G	96.5	Very high	93.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.4	175.7	0	0	0	0	0	111.4	F664 S665	F664-G678 PolarHBondContact N-O 2.97Å; F664-G678 VanDerWaalsContact N-O 3.08Å; S665-G678 PolarHBondContact N-O 3.48Å; S665-G678 PolarHBondContact O-N 3.32Å
679	M	95.7	Very high	92.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	161.9	-174.1	-61.7	-168.3	-68.4	0	0	113.2	F659 Q662 V677 S681 N683 E685 V704	F659-M679 HydrophobicContact CB-SD 3.94Å; F659-M679 HydrophobicContact CD1-CE 4.37Å; F659-M679 HydrophobicContact CD1-SD 3.45Å; F659-M679 WeakPolarHBondContact CD1-SD 3.46Å; F659-M679 HydrophobicContact CE1-SD 4.24Å; F659-M679 HydrophobicContact CG-SD 3.96Å; Q662-M679 CarbonylContact O-C 3.53Å; Q662-M679 WeakPolarHBondContact O-CA 3.44Å; V677-M679 HydrophobicContact CG1-CG 4.27Å; M679-S681 PolarHBondContact O-N 3.06Å; M679-N683 HydrophobicContact CE-CB 3.66Å; M679-N683 PolarHBondContact N-O 3.27Å; M679-N683 VanDerWaalsContact N-O 3.09Å; M679-E685 HydrophobicContact CE-CG 3.87Å; M679-V704 PolarHBondContact O-N 3.47Å
680	E	95.3	Very high	91.6	Very high	85 Å²	85	30.4 Å²	30.4	40%	0.397	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.9	169	-177.7	-171.6	-164.5	0	0	112.2	Q662 F664 S682 C703	Q662-E680 HydrophobicContact CB-CB 4.2Å; Q662-E680 PolarHBondContact O-N 3.21Å; F664-E680 HydrophobicContact CD2-CB 4.3Å; F664-E680 HydrophobicContact CE2-CB 3.6Å; F664-E680 HydrophobicContact CE2-CG 3.81Å; F664-E680 HydrophobicContact CZ-CB 3.95Å; F664-E680 HydrophobicContact CZ-CG 4.01Å; E680-S682 PolarHBondContact O-N 3.3Å; E680-C703 WeakPolarHBondContact O-CA 3.37Å; E680-C703 PolarHBondContact O-SG 3.38Å
681	S	91.7	Very high	91.3	Very high	38 Å²	38	33.8 Å²	33.8	27%	0.266	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	24.6	-176.5	56.6	0	0	0	0	115.2	S661 M679 N683	S661-S681 WeakPolarHBondContact OG-CB 3.45Å; M679-S681 PolarHBondContact O-N 3.06Å; S681-N683 PolarHBondContact O-N 3.43Å
682	S	94.4	Very high	91.1	Very high	25 Å²	25	33.8 Å²	33.8	18%	0.175	18%	0.181	C	C	.	.	S	Bend	trans	57.2	-7.1	-174.2	81.7	0	0	0	0	117.3	E680 H700 S702 V704	E680-S682 PolarHBondContact O-N 3.3Å; S682-H700 VanDerWaalsContact CB-O 3.27Å; S682-H700 WeakPolarHBondContact CB-O 3.36Å; S682-H700 WeakPolarHBondContact O-CB 3.12Å; S682-H700 PolarHBondContact OG-O 3.47Å; S682-S702 WeakPolarHBondContact CA-O 3.27Å; S682-S702 WeakPolarHBondContact CB-O 3.37Å; S682-V704 WeakPolarHBondContact O-CG2 3.41Å
683	N	94.6	Very high	91.5	Very high	27 Å²	27	35.6 Å²	35.6	14%	0.144	19%	0.188	C	C	.	.			trans	-73.8	142.2	176	-61.2	-36.5	0	0	0	111.8	M679 S681 Q696 H698	M679-N683 HydrophobicContact CE-CB 3.66Å; M679-N683 PolarHBondContact N-O 3.27Å; M679-N683 VanDerWaalsContact N-O 3.09Å; S681-N683 PolarHBondContact O-N 3.43Å; N683-Q696 HydrophobicContact CB-CG 4.48Å; N683-Q696 PolarHBondContact ND2-NE2 2.8Å; N683-Q696 VanDerWaalsContact ND2-NE2 3.19Å; N683-H698 PolarHBondContact OD1-CD2 2.94Å; N683-H698 PolarHBondContact OD1-NE2 3.38Å
684	V	96.3	Very high	91.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.4	156.2	-177.6	0	0	0	0	107.9	A676 V677 L697 V704 L707 F716	A676-V684 HydrophobicContact CB-CG1 4.48Å; V677-V684 CarbonylContact O-C 3.6Å; V677-V684 WeakPolarHBondContact O-CA 3.46Å; V684-L697 HydrophobicContact CB-CB 4.23Å; V684-L697 HydrophobicContact CB-CD1 4.32Å; V684-L697 HydrophobicContact CG1-CD1 4.3Å; V684-L697 PolarHBondContact N-O 3.45Å; V684-L697 VanDerWaalsContact N-O 3.16Å; V684-L697 PolarHBondContact O-N 2.76Å; V684-V704 HydrophobicContact CG2-CG1 4.05Å; V684-V704 HydrophobicContact CG2-CG2 3.94Å; V684-L707 HydrophobicContact CG1-CD1 3.87Å; V684-F716 HydrophobicContact CG1-CE2 4.13Å; V684-F716 HydrophobicContact CG1-CZ 4.44Å
685	E	95.1	Very high	91.8	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.7	169.1	-73.1	-165.3	-176.3	0	0	111	F659 A676 V677 M679 L687 K694 Y695 Q696	F659-E685 HydrophobicContact CE1-CB 4.5Å; F659-E685 WeakPolarHBondContact CE1-OE2 3.4Å; A676-E685 CarbonylContact C-O 3.54Å; A676-E685 WeakPolarHBondContact CA-O 3.35Å; V677-E685 PolarHBondContact N-O 2.9Å; V677-E685 PolarHBondContact O-N 3.37Å; M679-E685 HydrophobicContact CE-CG 3.87Å; E685-L687 HydrophobicContact CB-CD1 4.02Å; E685-K694 IonicContact OE1-NZ 3.89Å; E685-K694 PolarHBondContact OE1-NZ 3.36Å; E685-K694 WeakPolarHBondContact OE2-CD 3.3Å; E685-K694 WeakPolarHBondContact OE2-CE 3.43Å; E685-K694 IonicContact OE2-NZ 2.68Å; E685-K694 PolarHBondContact OE2-NZ 2.89Å; E685-Y695 CarbonylContact C-O 3.56Å; E685-Y695 VanDerWaalsContact CA-O 3.27Å; E685-Y695 WeakPolarHBondContact CA-O 3.44Å; E685-Q696 HydrophobicContact CG-CB 4.35Å; E685-Q696 HydrophobicContact CG-CG 4.02Å
686	V	95.5	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	104.6	176.3	-170.3	0	0	0	0	108.3	W674 L675 A676 K694 Y695 L697 F716 P731	W674-V686 HydrophobicContact CB-CG1 4.17Å; W674-V686 HydrophobicContact CE3-CG1 4.08Å; L675-V686 CarbonylContact O-C 3.58Å; L675-V686 WeakPolarHBondContact O-CA 3.38Å; A676-V686 HydrophobicContact CB-CG2 4.08Å; V686-K694 CarbonylContact O-C 3.52Å; V686-K694 VanDerWaalsContact O-CA 3.29Å; V686-K694 WeakPolarHBondContact O-CA 3.3Å; V686-Y695 PolarHBondContact N-O 3.33Å; V686-Y695 PolarHBondContact O-N 3.48Å; V686-L697 HydrophobicContact CG2-CD1 3.91Å; V686-F716 HydrophobicContact CG2-CE1 4.2Å; V686-F716 HydrophobicContact CG2-CZ 3.85Å; V686-P731 HydrophobicContact CG1-CB 4.37Å
687	L	93.2	Very high	91.6	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.4	-175.2	-61.2	89.2	0	0	0	110.5	H657 F659 W674 L675 V677 E685 K694	H657-L687 HydrophobicContact CB-CD2 4.49Å; F659-L687 HydrophobicContact CE1-CD1 4.31Å; F659-L687 HydrophobicContact CE1-CD2 4.48Å; F659-L687 HydrophobicContact CZ-CD1 4.05Å; F659-L687 HydrophobicContact CZ-CD2 3.94Å; W674-L687 WeakPolarHBondContact CA-O 3.33Å; L675-L687 PolarHBondContact N-O 3.03Å; L675-L687 PolarHBondContact O-N 3.35Å; V677-L687 HydrophobicContact CB-CD1 4.3Å; V677-L687 HydrophobicContact CG2-CD1 3.7Å; E685-L687 HydrophobicContact CB-CD1 4.02Å; L687-K694 HydrophobicContact CG-CB 4.29Å
688	H	89.8	Confident	91.4	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138	166.1	-160.5	-63.8	0	0	0	109.8	W674 T690 K691 D693	W674-H688 HydrophobicContact CE3-CB 4.08Å; W674-H688 HydrophobicContact CH2-CB 4.21Å; W674-H688 AromaticContact CH2-CD2 3.57Å; W674-H688 AromaticContact CZ2-CD2 3.6Å; W674-H688 HydrophobicContact CZ3-CB 3.77Å; W674-H688 AromaticContact CZ3-CD2 3.99Å; H688-T690 PolarHBondContact CE1-OG1 2.72Å; H688-T690 PolarHBondContact ND1-OG1 3.09Å; H688-T690 PolarHBondContact O-N 3.48Å; H688-K691 HydrophobicContact CB-CB 3.9Å; H688-K691 PolarHBondContact ND1-N 2.77Å; H688-K691 WeakPolarHBondContact NE2-CE 3.43Å; H688-K691 PolarHBondContact NE2-NZ 2.89Å; H688-D693 PolarHBondContact N-O 2.94Å
689	H	80.4	Confident	91.3	Very high	56 Å²	56	39.4 Å²	39.4	26%	0.259	21%	0.205	S	C	.	.	S	Bend	trans	-66.9	0.5	-175.4	80.9	113.9	0	0	0	116	W635 Q655 E673	W635-H689 HydrophobicContact CZ2-CB 4.38Å; Q655-H689 PolarHBondContact NE2-O 2.92Å; E673-H689 WeakPolarHBondContact O-CB 3.34Å; E673-H689 PolarHBondContact O-CD2 3.48Å; E673-H689 PolarHBondContact O-N 2.8Å
690	T	79.6	Confident	91.2	Very high	97 Å²	97	39.8 Å²	39.8	60%	0.595	21%	0.207	S	C	*	.	S	Bend	trans	-156.4	-40.4	-166.7	35.7	0	0	0	0	113.5	H688	H688-T690 PolarHBondContact CE1-OG1 2.72Å; H688-T690 PolarHBondContact ND1-OG1 3.09Å; H688-T690 PolarHBondContact O-N 3.48Å
691	K	84.4	Confident	91.1	Very high	108 Å²	108	43.7 Å²	43.7	47%	0.47	23%	0.225	S	C	.	.	S	Bend	trans	-80.2	154	173.4	-58.6	-178.9	-167.7	133.3	0	110.3	H688 D693	H688-K691 HydrophobicContact CB-CB 3.9Å; H688-K691 PolarHBondContact ND1-N 2.77Å; H688-K691 WeakPolarHBondContact NE2-CE 3.43Å; H688-K691 PolarHBondContact NE2-NZ 2.89Å; K691-D693 HydrophobicContact CB-CB 4.35Å; K691-D693 WeakPolarHBondContact CB-OD2 3.45Å; K691-D693 VanDerWaalsContact CD-OD2 3.31Å; K691-D693 WeakPolarHBondContact CD-OD2 3.39Å; K691-D693 PolarHBondContact O-N 3.49Å
692	P	82.8	Confident	91.2	Very high	93 Å²	93	43.8 Å²	43.8	60%	0.604	23%	0.226	S	C	*	.	S	Bend	trans	-70.7	-14.9	170.7	31.4	-37.7	0	0	0	113.4	A455 K694	A455-P692 HydrophobicContact CB-CB 3.89Å; A455-P692 HydrophobicContact CB-CG 3.51Å; P692-K694 PolarHBondContact O-N 2.89Å
693	D	86.9	Confident	91.3	Very high	47 Å²	47	43.5 Å²	43.5	25%	0.251	22%	0.224	S	C	.	.			trans	-61.9	129.1	-178.1	-50.8	-44.6	0	0	0	111.5	H688 K691	H688-D693 PolarHBondContact N-O 2.94Å; K691-D693 HydrophobicContact CB-CB 4.35Å; K691-D693 WeakPolarHBondContact CB-OD2 3.45Å; K691-D693 VanDerWaalsContact CD-OD2 3.31Å; K691-D693 WeakPolarHBondContact CD-OD2 3.39Å; K691-D693 PolarHBondContact O-N 3.49Å
694	K	92.4	Very high	91.4	Very high	56 Å²	56	42.2 Å²	42.2	24%	0.243	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.5	174.8	68.7	178.2	-165.5	165.3	0	111.8	V453 E685 V686 L687 P692	V453-K694 HydrophobicContact CB-CG 3.79Å; V453-K694 HydrophobicContact CG2-CG 4.13Å; V453-K694 PolarHBondContact N-O 2.91Å; V453-K694 PolarHBondContact O-N 3.27Å; E685-K694 IonicContact OE1-NZ 3.89Å; E685-K694 PolarHBondContact OE1-NZ 3.36Å; E685-K694 WeakPolarHBondContact OE2-CD 3.3Å; E685-K694 WeakPolarHBondContact OE2-CE 3.43Å; E685-K694 IonicContact OE2-NZ 2.68Å; E685-K694 PolarHBondContact OE2-NZ 2.89Å; V686-K694 CarbonylContact O-C 3.52Å; V686-K694 VanDerWaalsContact O-CA 3.29Å; V686-K694 WeakPolarHBondContact O-CA 3.3Å; L687-K694 HydrophobicContact CG-CB 4.29Å; P692-K694 PolarHBondContact O-N 2.89Å
695	Y	94.1	Very high	91.4	Very high	35 Å²	35	44 Å²	44	14%	0.137	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.4	169.3	-60.5	-81.7	0	0	0	110.4	F451 H452 V462 W674 E685 V686 P731	F451-Y695 CarbonylContact O-C 3.56Å; F451-Y695 VanDerWaalsContact O-CA 3.29Å; F451-Y695 WeakPolarHBondContact O-CA 3.22Å; H452-Y695 HydrophobicContact CB-CD1 4.12Å; H452-Y695 HydrophobicContact CB-CE1 3.97Å; H452-Y695 AromaticContact CD2-CE1 3.54Å; H452-Y695 AromaticContact CD2-CZ 3.82Å; V462-Y695 HydrophobicContact CG1-CE1 4.36Å; V462-Y695 HydrophobicContact CG2-CD1 3.67Å; V462-Y695 HydrophobicContact CG2-CE1 3.76Å; W674-Y695 HydrophobicContact CH2-CD2 4.46Å; W674-Y695 AromaticContact CH2-CE2 3.75Å; W674-Y695 HydrophobicContact CH2-CE2 3.75Å; W674-Y695 HydrophobicContact CZ3-CD2 4.06Å; W674-Y695 AromaticContact CZ3-CE2 3.8Å; W674-Y695 HydrophobicContact CZ3-CE2 3.8Å; E685-Y695 CarbonylContact C-O 3.56Å; E685-Y695 VanDerWaalsContact CA-O 3.27Å; E685-Y695 WeakPolarHBondContact CA-O 3.44Å; V686-Y695 PolarHBondContact N-O 3.33Å; V686-Y695 PolarHBondContact O-N 3.48Å; Y695-P731 HydrophobicContact CD2-CB 4.18Å; Y695-P731 HydrophobicContact CE2-CB 3.9Å; Y695-P731 HydrophobicContact CE2-CG 3.84Å
696	Q	93.4	Very high	91.5	Very high	27 Å²	27	44.5 Å²	44.5	13%	0.126	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.2	174.5	-167.6	-176.8	-1.4	0	0	109.5	F451 V453 N683 E685 H698	F451-Q696 PolarHBondContact N-O 2.8Å; F451-Q696 PolarHBondContact O-N 2.92Å; V453-Q696 HydrophobicContact CG2-CB 4.12Å; N683-Q696 HydrophobicContact CB-CG 4.48Å; N683-Q696 PolarHBondContact ND2-NE2 2.8Å; N683-Q696 VanDerWaalsContact ND2-NE2 3.19Å; E685-Q696 HydrophobicContact CG-CB 4.35Å; E685-Q696 HydrophobicContact CG-CG 4.02Å; Q696-H698 PolarHBondContact NE2-NE2 3.06Å; Q696-H698 VanDerWaalsContact NE2-NE2 3.2Å
697	L	94.6	Very high	91.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.6	-167.3	-47.1	176.5	0	0	0	111.2	Y449 S450 V684 V686 F716 W728	Y449-L697 CarbonylContact O-C 3.51Å; Y449-L697 WeakPolarHBondContact O-CA 3.43Å; S450-L697 VanDerWaalsContact OG-CD2 3.3Å; S450-L697 WeakPolarHBondContact OG-CD2 3.46Å; V684-L697 HydrophobicContact CB-CB 4.23Å; V684-L697 HydrophobicContact CB-CD1 4.32Å; V684-L697 HydrophobicContact CG1-CD1 4.3Å; V684-L697 PolarHBondContact N-O 3.45Å; V684-L697 VanDerWaalsContact N-O 3.16Å; V684-L697 PolarHBondContact O-N 2.76Å; V686-L697 HydrophobicContact CG2-CD1 3.91Å; L697-F716 HydrophobicContact CD1-CZ 3.93Å; L697-W728 HydrophobicContact CB-CE3 4.5Å; L697-W728 HydrophobicContact CB-CH2 3.66Å; L697-W728 HydrophobicContact CB-CZ2 4.3Å; L697-W728 HydrophobicContact CB-CZ3 3.8Å; L697-W728 HydrophobicContact CD1-CD2 4.1Å; L697-W728 HydrophobicContact CD1-CE3 3.9Å; L697-W728 HydrophobicContact CD1-CH2 4.4Å; L697-W728 HydrophobicContact CD1-CZ3 4.05Å; L697-W728 HydrophobicContact CG-CZ3 4.34Å
698	H	93.6	Very high	91.7	Very high	70 Å²	70	46.4 Å²	46.4	32%	0.324	24%	0.239	S	C	.	.			trans	-123.1	70.9	-169.7	-58.5	165.3	0	0	0	111.6	Y449 F451 N683 Q696	Y449-H698 WeakPolarHBondContact CB-O 3.11Å; Y449-H698 PolarHBondContact O-N 3.49Å; F451-H698 AromaticContact CD2-CE1 3.94Å; F451-H698 AromaticContact CD2-ND1 3.84Å; F451-H698 AromaticContact CE2-CE1 3.9Å; F451-H698 AromaticContact CE2-ND1 3.43Å; F451-H698 WeakPolarHBondContact CE2-ND1 3.26Å; N683-H698 PolarHBondContact OD1-CD2 2.94Å; N683-H698 PolarHBondContact OD1-NE2 3.38Å; Q696-H698 PolarHBondContact NE2-NE2 3.06Å; Q696-H698 VanDerWaalsContact NE2-NE2 3.2Å
699	L	92.9	Very high	92	Very high	24 Å²	24	46 Å²	46	13%	0.126	24%	0.237	C	C	.	.			trans	-126.6	12.4	170.8	-67.4	-179.6	0	0	0	114.4	K446 Y449 L724 N726 W728 S735	K446-L699 HydrophobicContact CD-CD2 4.06Å; Y449-L699 HydrophobicContact CD1-CD2 4.1Å; Y449-L699 HydrophobicContact CD2-CD1 3.62Å; Y449-L699 HydrophobicContact CD2-CD2 4.11Å; Y449-L699 HydrophobicContact CD2-CG 3.68Å; Y449-L699 HydrophobicContact CE2-CD1 3.83Å; Y449-L699 HydrophobicContact CE2-CG 4.4Å; Y449-L699 HydrophobicContact CG-CD1 4.02Å; Y449-L699 HydrophobicContact CG-CD2 3.67Å; Y449-L699 HydrophobicContact CG-CG 3.78Å; L699-L724 WeakPolarHBondContact O-CD1 3.46Å; L699-N726 PolarHBondContact O-ND2 3.31Å; L699-W728 HydrophobicContact CB-CH2 3.53Å; L699-W728 HydrophobicContact CB-CZ2 4.01Å; L699-W728 HydrophobicContact CB-CZ3 4.38Å; L699-W728 HydrophobicContact CD1-CH2 3.71Å; L699-W728 HydrophobicContact CD1-CZ3 3.72Å; L699-W728 HydrophobicContact CG-CH2 3.69Å; L699-W728 HydrophobicContact CG-CZ3 4.08Å; L699-S735 VanDerWaalsContact CD1-CB 3.46Å; L699-S735 WeakPolarHBondContact CD1-OG 3.42Å
700	H	94.1	Very high	92.8	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.046	23%	0.225	C	C	.	.			trans	-110.4	145.6	168.2	-74.9	-73.9	0	0	0	110.6	S682 V704 S718 G720 D722 L724 N726	S682-H700 VanDerWaalsContact CB-O 3.27Å; S682-H700 WeakPolarHBondContact CB-O 3.36Å; S682-H700 WeakPolarHBondContact O-CB 3.12Å; S682-H700 PolarHBondContact OG-O 3.47Å; H700-V704 HydrophobicContact CB-CG2 4.41Å; H700-S718 PolarHBondContact NE2-OG 2.99Å; H700-G720 PolarHBondContact CE1-N 3.46Å; H700-D722 WeakPolarHBondContact CA-OD2 3.35Å; H700-D722 WeakPolarHBondContact CB-OD2 3.33Å; H700-D722 IonicContact CE1-OD1 2.8Å; H700-D722 IonicContact CG-OD2 3.46Å; H700-D722 IonicContact ND1-OD1 3.86Å; H700-D722 PolarHBondContact ND1-OD1 2.9Å; H700-D722 IonicContact ND1-OD2 2.64Å; H700-D722 PolarHBondContact ND1-OD2 3.04Å; H700-L724 PolarHBondContact CE1-O 3.46Å; H700-N726 PolarHBondContact CD2-ND2 2.95Å; H700-N726 PolarHBondContact CE1-ND2 3.1Å; H700-N726 PolarHBondContact ND1-ND2 3.14Å; H700-N726 PolarHBondContact NE2-ND2 2.88Å
701	E	92.6	Very high	93.4	Very high	167 Å²	167	43.6 Å²	43.6	78%	0.78	22%	0.216	S	C	*	.	S	Bend	trans	-97.1	-6.6	175.9	-63.5	176.5	176.8	0	0	111.7	D722	E701-D722 HydrophobicContact CB-CB 4.1Å; E701-D722 PolarHBondContact N-OD2 3.07Å
702	S	95.3	Very high	93.8	Very high	39 Å²	39	40.5 Å²	40.5	27%	0.273	21%	0.207	S	C	.	.	S	Bend	trans	-154.5	179.3	-179.1	-158.5	0	0	0	0	111.7	S682	S682-S702 WeakPolarHBondContact CA-O 3.27Å; S682-S702 WeakPolarHBondContact CB-O 3.37Å
703	C	95.4	Very high	94.3	Very high	19 Å²	19	36.2 Å²	36.2	13%	0.128	18%	0.179	C	C	.	.			trans	-49.3	137.6	-170.7	-45.6	0	0	0	0	113.9	F664 E680 L705 G720 K721	F664-C703 HydrophobicContact CD2-CB 3.93Å; F664-C703 HydrophobicContact CE2-CB 3.76Å; E680-C703 WeakPolarHBondContact O-CA 3.37Å; E680-C703 PolarHBondContact O-SG 3.38Å; C703-L705 HydrophobicContact CB-CD2 4.2Å; C703-L705 PolarHBondContact O-N 3.02Å; C703-G720 WeakPolarHBondContact O-CA 3.36Å; C703-K721 HydrophobicContact CB-CB 4.37Å; C703-K721 PolarHBondContact O-N 3.31Å
704	V	97.1	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	98.3	178.4	-172.5	0	0	0	0	110.1	S665 M679 S682 V684 H700 T719	S665-V704 PolarHBondContact OG-O 3.04Å; S665-V704 VanDerWaalsContact OG-O 3.05Å; M679-V704 PolarHBondContact O-N 3.47Å; S682-V704 WeakPolarHBondContact O-CG2 3.41Å; V684-V704 HydrophobicContact CG2-CG1 4.05Å; V684-V704 HydrophobicContact CG2-CG2 3.94Å; H700-V704 HydrophobicContact CB-CG2 4.41Å; V704-T719 CarbonylContact C-O 3.58Å
705	L	96.3	Very high	94.8	Very high	39 Å²	39	35.4 Å²	35.4	20%	0.204	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-32	-167.3	-58.6	174.6	0	0	0	113.3	F664 C703 T719 K721 L746	F664-L705 HydrophobicContact CD2-CD2 4.48Å; C703-L705 HydrophobicContact CB-CD2 4.2Å; C703-L705 PolarHBondContact O-N 3.02Å; L705-T719 PolarHBondContact N-O 2.91Å; L705-K721 HydrophobicContact CD1-CB 3.87Å; L705-K721 HydrophobicContact CD1-CG 4.45Å; L705-K721 HydrophobicContact CD2-CB 4.48Å; L705-K721 HydrophobicContact CG-CB 4.23Å; L705-L746 HydrophobicContact CD1-CD2 4.05Å; L705-L746 HydrophobicContact CD1-CG 4.37Å
706	S	96.4	Very high	94.9	Very high	20 Å²	20	33.7 Å²	33.7	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.3	179.4	-152.2	0	0	0	0	111.5	S718 T719 C748	S706-S718 CarbonylContact O-C 3.53Å; S706-S718 WeakPolarHBondContact O-CA 3.24Å; S706-T719 WeakPolarHBondContact CB-OG1 3.16Å; S706-T719 PolarHBondContact N-O 3.36Å; S706-T719 PolarHBondContact N-OG1 3.37Å; S706-T719 PolarHBondContact O-N 3.41Å; S706-C748 PolarHBondContact OG-N 3.03Å; S706-C748 VanDerWaalsContact OG-N 3.16Å; S706-C748 PolarHBondContact OG-SG 3.5Å
707	L	96.5	Very high	95.1	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.063	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	137.4	176.5	-167.6	149.1	0	0	0	108.6	A676 V684 F709 F716 V717	A676-L707 HydrophobicContact CB-CD1 3.67Å; A676-L707 HydrophobicContact CB-CD2 3.87Å; A676-L707 HydrophobicContact CB-CG 4.43Å; V684-L707 HydrophobicContact CG1-CD1 3.87Å; L707-F709 HydrophobicContact CD2-CD2 4.06Å; L707-F709 HydrophobicContact CD2-CE2 3.99Å; L707-F716 HydrophobicContact CD1-CD2 4.22Å; L707-F716 HydrophobicContact CD1-CE2 4.18Å; L707-F716 HydrophobicContact CD2-CD2 4.26Å; L707-F716 HydrophobicContact CG-CD2 4.18Å; L707-V717 WeakPolarHBondContact CA-O 3.48Å
708	K	97.1	Very high	95.2	Very high	43 Å²	43	32.4 Å²	32.4	19%	0.187	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	128.8	173.8	179.8	57.4	-173.3	-88.3	0	111	Y711 F716 V717 D749 I750	K708-Y711 PolarHBondContact NZ-OH 3.27Å; K708-F716 WeakPolarHBondContact O-CA 3.47Å; K708-F716 WeakPolarHBondContact O-CB 3.39Å; K708-V717 HydrophobicContact CB-CG2 4.32Å; K708-V717 PolarHBondContact N-O 3.38Å; K708-V717 PolarHBondContact O-N 3.5Å; K708-D749 IonicContact NZ-OD1 3.79Å; K708-D749 PolarHBondContact NZ-OD1 2.62Å; K708-I750 HydrophobicContact CB-CD1 4.4Å; K708-I750 HydrophobicContact CB-CG1 4.36Å; K708-I750 HydrophobicContact CG-CB 4.17Å; K708-I750 HydrophobicContact CG-CD1 4.05Å; K708-I750 HydrophobicContact CG-CG1 3.8Å
709	F	96.9	Very high	95.4	Very high	4 Å²	4	29 Å²	29	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	145.6	168.5	-82.4	-94.6	0	0	0	111.8	G667 C669 P670 A676 L707 F716 T730	G667-F709 VanDerWaalsContact O-CE2 3.26Å; G667-F709 WeakPolarHBondContact O-CE2 3.44Å; C669-F709 HydrophobicContact CB-CD1 4.05Å; C669-F709 HydrophobicContact CB-CE1 3.74Å; C669-F709 HydrophobicContact CB-CZ 4.04Å; P670-F709 VanDerWaalsContact CD-CB 3.47Å; P670-F709 HydrophobicContact CG-CB 4.08Å; A676-F709 HydrophobicContact CB-CE2 3.63Å; A676-F709 HydrophobicContact CB-CZ 3.77Å; L707-F709 HydrophobicContact CD2-CD2 4.06Å; L707-F709 HydrophobicContact CD2-CE2 3.99Å; F709-F716 HydrophobicContact CB-CB 4.35Å; F709-F716 HydrophobicContact CD1-CB 3.72Å; F709-F716 HydrophobicContact CD1-CD1 4.33Å; F709-F716 HydrophobicContact CD1-CG 4.39Å; F709-F716 HydrophobicContact CD2-CB 4.19Å; F709-F716 HydrophobicContact CE1-CB 3.96Å; F709-F716 AromaticContact CE1-CD1 3.74Å; F709-F716 HydrophobicContact CE1-CD1 3.74Å; F709-F716 HydrophobicContact CE1-CG 4.13Å; F709-F716 HydrophobicContact CE2-CB 4.4Å; F709-F716 HydrophobicContact CG-CB 3.84Å; F709-F716 HydrophobicContact CZ-CB 4.3Å; F709-F716 AromaticContact CZ-CD1 3.95Å; F709-F716 HydrophobicContact CZ-CD1 3.95Å; F709-F716 HydrophobicContact CZ-CG 4.2Å; F709-T730 HydrophobicContact CE1-CG2 3.9Å
710	A	96.1	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.			trans	-68.1	147.3	162.2	0	0	0	0	0	109.8	P670 C712 G713 W715 I750 D754	P670-A710 WeakPolarHBondContact CG-O 3.17Å; A710-C712 PolarHBondContact O-N 2.84Å; A710-G713 WeakPolarHBondContact O-CA 3.4Å; A710-G713 PolarHBondContact O-N 2.95Å; A710-W715 HydrophobicContact CB-CD2 3.74Å; A710-W715 HydrophobicContact CB-CE3 4.43Å; A710-W715 HydrophobicContact CB-CG 4.01Å; A710-W715 HydrophobicContact CB-CH2 4.39Å; A710-W715 HydrophobicContact CB-CZ2 3.69Å; A710-W715 VanDerWaalsContact CB-O 3.27Å; A710-W715 WeakPolarHBondContact CB-O 3.44Å; A710-W715 PolarHBondContact N-O 2.78Å; A710-I750 HydrophobicContact CB-CD1 4.46Å; A710-D754 VanDerWaalsContact CA-OD1 3.31Å; A710-D754 WeakPolarHBondContact CA-OD1 3.43Å; A710-D754 WeakPolarHBondContact CB-OD1 3.37Å
711	Y	93.2	Very high	95.5	Very high	102 Å²	102	32.8 Å²	32.8	40%	0.4	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.8	-175.7	-65.3	-97	0	0	0	112.1	P670 K708 G713 I750 S751 D754	P670-Y711 WeakPolarHBondContact CB-O 3.31Å; K708-Y711 PolarHBondContact NZ-OH 3.27Å; Y711-G713 PolarHBondContact O-N 2.87Å; Y711-I750 HydrophobicContact CE2-CB 4.46Å; Y711-I750 VanDerWaalsContact CE2-O 3.31Å; Y711-I750 WeakPolarHBondContact CE2-O 3.3Å; Y711-I750 PolarHBondContact OH-O 3.31Å; Y711-S751 WeakPolarHBondContact CD2-O 3.36Å; Y711-S751 VanDerWaalsContact CE2-C 3.46Å; Y711-S751 WeakPolarHBondContact CE2-O 3.37Å; Y711-D754 WeakPolarHBondContact CD2-OD1 3.38Å; Y711-D754 PolarHBondContact N-OD1 3.2Å; Y711-D754 PolarHBondContact N-OD2 3.18Å
712	C	92.4	Very high	95.6	Very high	43 Å²	43	25.6 Å²	25.6	29%	0.291	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.2	167.7	68.2	0	0	0	0	115.2	A710 K714 D754	A710-C712 PolarHBondContact O-N 2.84Å; C712-K714 PolarHBondContact O-N 3.46Å; C712-D754 WeakPolarHBondContact CB-OD2 3.32Å; C712-D754 PolarHBondContact N-OD2 3.45Å; C712-D754 PolarHBondContact SG-OD2 3.46Å
713	G	93.3	Very high	95.6	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	68.7	-19.8	178.8	0	0	0	0	0	116.6	A710 Y711 W715 T730	A710-G713 WeakPolarHBondContact O-CA 3.4Å; A710-G713 PolarHBondContact O-N 2.95Å; Y711-G713 PolarHBondContact O-N 2.87Å; G713-W715 PolarHBondContact O-N 2.94Å; G713-T730 WeakPolarHBondContact O-CB 3.33Å; G713-T730 PolarHBondContact O-OG1 2.99Å
714	K	93.6	Very high	95.7	Very high	86 Å²	86	25.2 Å²	25.2	37%	0.374	12%	0.121	S	C	.	.	S	Bend	trans	-63.7	-23.2	-174.2	-71.1	172.4	176.7	173	0	115.1	P472 I474 C712 R729 T730	P472-K714 PolarHBondContact O-NZ 2.91Å; I474-K714 HydrophobicContact CD1-CB 3.83Å; I474-K714 HydrophobicContact CD1-CD 4.32Å; C712-K714 PolarHBondContact O-N 3.46Å; K714-R729 PolarHBondContact O-NH1 2.66Å; K714-T730 VanDerWaalsContact C-OG1 3.3Å; K714-T730 PolarHBondContact O-N 2.8Å; K714-T730 PolarHBondContact O-OG1 3.35Å
715	W	95.6	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.7	-178.8	63.9	-77.4	0	0	0	111.2	P475 A710 G713 V717 W728 T730 I736 I750 D754 I757 V771 Y773	P475-W715 HydrophobicContact CG-CD2 3.73Å; P475-W715 HydrophobicContact CG-CE3 4.05Å; P475-W715 HydrophobicContact CG-CG 4.3Å; P475-W715 HydrophobicContact CG-CH2 4.1Å; P475-W715 HydrophobicContact CG-CZ2 3.79Å; P475-W715 HydrophobicContact CG-CZ3 4.2Å; A710-W715 HydrophobicContact CB-CD2 3.74Å; A710-W715 HydrophobicContact CB-CE3 4.43Å; A710-W715 HydrophobicContact CB-CG 4.01Å; A710-W715 HydrophobicContact CB-CH2 4.39Å; A710-W715 HydrophobicContact CB-CZ2 3.69Å; A710-W715 VanDerWaalsContact CB-O 3.27Å; A710-W715 WeakPolarHBondContact CB-O 3.44Å; A710-W715 PolarHBondContact N-O 2.78Å; G713-W715 PolarHBondContact O-N 2.94Å; W715-V717 HydrophobicContact CE3-CG1 4.22Å; W715-V717 HydrophobicContact CZ3-CG1 3.65Å; W715-W728 CarbonylContact C-O 3.06Å; W715-W728 WeakPolarHBondContact CA-O 3.5Å; W715-W728 VanDerWaalsContact CB-O 3.24Å; W715-W728 WeakPolarHBondContact CB-O 3.45Å; W715-T730 PolarHBondContact N-OG1 3Å; W715-I736 HydrophobicContact CB-CD1 3.55Å; W715-I736 HydrophobicContact CG-CD1 4.36Å; W715-I750 HydrophobicContact CH2-CD1 4.12Å; W715-I750 HydrophobicContact CZ3-CD1 4.19Å; W715-D754 HydrophobicContact CZ2-CB 4.26Å; W715-I757 HydrophobicContact CH2-CD1 3.95Å; W715-I757 HydrophobicContact CH2-CG1 4.18Å; W715-I757 HydrophobicContact CZ3-CD1 4.01Å; W715-V771 HydrophobicContact CH2-CG1 4.19Å; W715-V771 HydrophobicContact CH2-CG2 4.18Å; W715-V771 HydrophobicContact CZ2-CG1 4.13Å; W715-Y773 VanDerWaalsContact CZ2-OH 3.25Å; W715-Y773 WeakPolarHBondContact CZ2-OH 3.46Å; W715-Y773 PolarHBondContact NE1-OH 2.95Å
716	F	97.1	Very high	95.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165	175.5	65.4	-88.8	0	0	0	110.8	A676 V684 V686 L697 L707 K708 F709 A727 W728	A676-F716 HydrophobicContact CB-CE2 4.26Å; A676-F716 HydrophobicContact CB-CZ 4.32Å; V684-F716 HydrophobicContact CG1-CE2 4.13Å; V684-F716 HydrophobicContact CG1-CZ 4.44Å; V686-F716 HydrophobicContact CG2-CE1 4.2Å; V686-F716 HydrophobicContact CG2-CZ 3.85Å; L697-F716 HydrophobicContact CD1-CZ 3.93Å; L707-F716 HydrophobicContact CD1-CD2 4.22Å; L707-F716 HydrophobicContact CD1-CE2 4.18Å; L707-F716 HydrophobicContact CD2-CD2 4.26Å; L707-F716 HydrophobicContact CG-CD2 4.18Å; K708-F716 WeakPolarHBondContact O-CA 3.47Å; K708-F716 WeakPolarHBondContact O-CB 3.39Å; F709-F716 HydrophobicContact CB-CB 4.35Å; F709-F716 HydrophobicContact CD1-CB 3.72Å; F709-F716 HydrophobicContact CD1-CD1 4.33Å; F709-F716 HydrophobicContact CD1-CG 4.39Å; F709-F716 HydrophobicContact CD2-CB 4.19Å; F709-F716 HydrophobicContact CE1-CB 3.96Å; F709-F716 AromaticContact CE1-CD1 3.74Å; F709-F716 HydrophobicContact CE1-CD1 3.74Å; F709-F716 HydrophobicContact CE1-CG 4.13Å; F709-F716 HydrophobicContact CE2-CB 4.4Å; F709-F716 HydrophobicContact CG-CB 3.84Å; F709-F716 HydrophobicContact CZ-CB 4.3Å; F709-F716 AromaticContact CZ-CD1 3.95Å; F709-F716 HydrophobicContact CZ-CD1 3.95Å; F709-F716 HydrophobicContact CZ-CG 4.2Å; F716-A727 WeakPolarHBondContact O-CA 3.48Å; F716-W728 HydrophobicContact CD1-CB 3.97Å; F716-W728 HydrophobicContact CD2-CB 4.03Å; F716-W728 AromaticContact CD2-CD1 3.72Å; F716-W728 HydrophobicContact CD2-CG 4.19Å; F716-W728 HydrophobicContact CE1-CB 3.6Å; F716-W728 HydrophobicContact CE1-CG 4.41Å; F716-W728 HydrophobicContact CE2-CB 3.67Å; F716-W728 AromaticContact CE2-CD1 3.35Å; F716-W728 AromaticContact CE2-CG 3.63Å; F716-W728 HydrophobicContact CE2-CG 3.63Å; F716-W728 HydrophobicContact CG-CB 4.17Å; F716-W728 HydrophobicContact CZ-CB 3.44Å; F716-W728 VanDerWaalsContact CZ-CB 3.44Å; F716-W728 AromaticContact CZ-CD1 3.98Å; F716-W728 AromaticContact CZ-CG 3.77Å; F716-W728 HydrophobicContact CZ-CG 3.77Å; F716-W728 PolarHBondContact N-O 3.03Å; F716-W728 PolarHBondContact O-N 2.86Å
717	V	97.6	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.2	170.8	-56.4	0	0	0	0	111	L707 K708 W715 L725 N726 A727 C748 I750 I757	L707-V717 WeakPolarHBondContact CA-O 3.48Å; K708-V717 HydrophobicContact CB-CG2 4.32Å; K708-V717 PolarHBondContact N-O 3.38Å; K708-V717 PolarHBondContact O-N 3.5Å; W715-V717 HydrophobicContact CE3-CG1 4.22Å; W715-V717 HydrophobicContact CZ3-CG1 3.65Å; V717-L725 HydrophobicContact CB-CD1 3.84Å; V717-L725 HydrophobicContact CG1-CD1 4.18Å; V717-L725 HydrophobicContact CG2-CD1 4.23Å; V717-N726 CarbonylContact C-O 3.57Å; V717-N726 VanDerWaalsContact CA-O 3.27Å; V717-N726 WeakPolarHBondContact CA-O 3.39Å; V717-A727 HydrophobicContact CG1-CB 4.32Å; V717-C748 HydrophobicContact CG2-CB 4.31Å; V717-I750 HydrophobicContact CG1-CD1 4.27Å; V717-I750 HydrophobicContact CG2-CD1 4.12Å; V717-I757 HydrophobicContact CG1-CD1 4.11Å
718	S	97.2	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.4	163	68.2	0	0	0	0	110.4	H700 S706 N726 W728	H700-S718 PolarHBondContact NE2-OG 2.99Å; S706-S718 CarbonylContact O-C 3.53Å; S706-S718 WeakPolarHBondContact O-CA 3.24Å; S718-N726 PolarHBondContact N-O 3.39Å; S718-N726 PolarHBondContact O-N 3.18Å; S718-W728 PolarHBondContact OG-NE1 3.03Å
719	T	96.9	Very high	95.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.9	179.8	73.8	0	0	0	0	111.1	V704 L705 S706 L724 L725 V745 C748 T759	V704-T719 CarbonylContact C-O 3.58Å; L705-T719 PolarHBondContact N-O 2.91Å; S706-T719 WeakPolarHBondContact CB-OG1 3.16Å; S706-T719 PolarHBondContact N-O 3.36Å; S706-T719 PolarHBondContact N-OG1 3.37Å; S706-T719 PolarHBondContact O-N 3.41Å; T719-L724 WeakPolarHBondContact CA-O 3.34Å; T719-L725 HydrophobicContact CG2-CD1 3.81Å; T719-V745 VanDerWaalsContact CB-O 3.31Å; T719-V745 WeakPolarHBondContact CB-O 3.5Å; T719-V745 HydrophobicContact CG2-CB 4.41Å; T719-V745 HydrophobicContact CG2-CG1 3.66Å; T719-V745 PolarHBondContact OG1-O 3.42Å; T719-C748 HydrophobicContact CG2-CB 3.77Å; T719-T759 HydrophobicContact CG2-CG2 4.48Å
720	G	94.4	Very high	95.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.5	-172.3	0	0	0	0	0	114.5	H700 C703 D722 N723 L724 V745	H700-G720 PolarHBondContact CE1-N 3.46Å; C703-G720 WeakPolarHBondContact O-CA 3.36Å; G720-D722 VanDerWaalsContact CA-OD1 3.26Å; G720-D722 WeakPolarHBondContact CA-OD1 3.43Å; G720-D722 PolarHBondContact O-N 3.41Å; G720-N723 PolarHBondContact O-N 2.76Å; G720-L724 PolarHBondContact N-O 2.9Å; G720-V745 PolarHBondContact O-N 3.48Å
721	K	95.1	Very high	95.2	Very high	113 Å²	113	22.6 Å²	22.6	49%	0.491	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.7	168.5	-168.8	174.6	180	177.7	0	112.8	C703 L705 N723 S744	C703-K721 HydrophobicContact CB-CB 4.37Å; C703-K721 PolarHBondContact O-N 3.31Å; L705-K721 HydrophobicContact CD1-CB 3.87Å; L705-K721 HydrophobicContact CD1-CG 4.45Å; L705-K721 HydrophobicContact CD2-CB 4.48Å; L705-K721 HydrophobicContact CG-CB 4.23Å; K721-N723 PolarHBondContact O-N 2.73Å; K721-N723 PolarHBondContact O-OD1 2.86Å; K721-S744 PolarHBondContact O-OG 3.25Å
722	D	94.2	Very high	95.1	Very high	16 Å²	16	18.8 Å²	18.8	9%	0.086	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	6.4	173.1	58.9	10.1	0	0	0	115.3	H700 E701 G720 L724	H700-D722 WeakPolarHBondContact CA-OD2 3.35Å; H700-D722 WeakPolarHBondContact CB-OD2 3.33Å; H700-D722 IonicContact CE1-OD1 2.8Å; H700-D722 IonicContact CG-OD2 3.46Å; H700-D722 IonicContact ND1-OD1 3.86Å; H700-D722 PolarHBondContact ND1-OD1 2.9Å; H700-D722 IonicContact ND1-OD2 2.64Å; H700-D722 PolarHBondContact ND1-OD2 3.04Å; E701-D722 HydrophobicContact CB-CB 4.1Å; E701-D722 PolarHBondContact N-OD2 3.07Å; G720-D722 VanDerWaalsContact CA-OD1 3.26Å; G720-D722 WeakPolarHBondContact CA-OD1 3.43Å; G720-D722 PolarHBondContact O-N 3.41Å; D722-L724 VanDerWaalsContact C-N 3.29Å; D722-L724 PolarHBondContact O-N 3.06Å; D722-L724 WeakPolarHBondContact OD1-CB 3.31Å; D722-L724 PolarHBondContact OD1-N 3.17Å
723	N	95.8	Very high	95.1	Very high	36 Å²	36	16.8 Å²	16.8	19%	0.193	8%	0.078	C	C	.	.	S	Bend	trans	71.8	14.7	-178.4	-36.8	-13.9	0	0	0	114.3	G720 K721 E741 S742 S743 S744	G720-N723 PolarHBondContact O-N 2.76Å; K721-N723 PolarHBondContact O-N 2.73Å; K721-N723 PolarHBondContact O-OD1 2.86Å; N723-E741 VanDerWaalsContact CB-O 3.23Å; N723-E741 WeakPolarHBondContact CB-O 3.45Å; N723-E741 PolarHBondContact O-N 3.44Å; N723-S742 PolarHBondContact ND2-O 2.66Å; N723-S743 WeakPolarHBondContact CB-O 3.34Å; N723-S743 VanDerWaalsContact CG-CA 3.42Å; N723-S743 WeakPolarHBondContact ND2-CA 3.48Å; N723-S743 PolarHBondContact ND2-N 3.38Å; N723-S743 WeakPolarHBondContact OD1-CA 3.37Å; N723-S744 WeakPolarHBondContact OD1-CA 3.38Å; N723-S744 PolarHBondContact OD1-N 3.47Å
724	L	95.8	Very high	95.1	Very high	14 Å²	14	16.7 Å²	16.7	7%	0.073	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.4	179	-60.9	177.3	0	0	0	112.2	L699 H700 T719 G720 D722 Q738 K740	L699-L724 WeakPolarHBondContact O-CD1 3.46Å; H700-L724 PolarHBondContact CE1-O 3.46Å; T719-L724 WeakPolarHBondContact CA-O 3.34Å; G720-L724 PolarHBondContact N-O 2.9Å; D722-L724 VanDerWaalsContact C-N 3.29Å; D722-L724 PolarHBondContact O-N 3.06Å; D722-L724 WeakPolarHBondContact OD1-CB 3.31Å; D722-L724 PolarHBondContact OD1-N 3.17Å; L724-Q738 HydrophobicContact CD2-CG 4.17Å; L724-K740 HydrophobicContact CD2-CB 3.94Å; L724-K740 HydrophobicContact CD2-CD 4.04Å; L724-K740 HydrophobicContact CD2-CG 4.03Å
725	L	96.8	Very high	95.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.6	157.5	168.5	67.6	0	0	0	106.9	V717 T719 F737 Q738 S739 I757 T759 Y769	V717-L725 HydrophobicContact CB-CD1 3.84Å; V717-L725 HydrophobicContact CG1-CD1 4.18Å; V717-L725 HydrophobicContact CG2-CD1 4.23Å; T719-L725 HydrophobicContact CG2-CD1 3.81Å; L725-F737 HydrophobicContact CD2-CE2 4.46Å; L725-Q738 WeakPolarHBondContact O-CA 3.48Å; L725-S739 PolarHBondContact N-O 3.38Å; L725-S739 PolarHBondContact O-N 3.15Å; L725-I757 HydrophobicContact CD2-CG2 4.47Å; L725-T759 HydrophobicContact CD1-CG2 4.16Å; L725-T759 HydrophobicContact CD2-CG2 4.05Å; L725-Y769 HydrophobicContact CD2-CD2 4.14Å; L725-Y769 HydrophobicContact CD2-CE2 3.86Å
726	N	96.4	Very high	95.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.1	178	-75.8	-40.7	0	0	0	109.6	L699 H700 V717 S718 W728 Q738	L699-N726 PolarHBondContact O-ND2 3.31Å; H700-N726 PolarHBondContact CD2-ND2 2.95Å; H700-N726 PolarHBondContact CE1-ND2 3.1Å; H700-N726 PolarHBondContact ND1-ND2 3.14Å; H700-N726 PolarHBondContact NE2-ND2 2.88Å; V717-N726 CarbonylContact C-O 3.57Å; V717-N726 VanDerWaalsContact CA-O 3.27Å; V717-N726 WeakPolarHBondContact CA-O 3.39Å; S718-N726 PolarHBondContact N-O 3.39Å; S718-N726 PolarHBondContact O-N 3.18Å; N726-W728 HydrophobicContact CB-CZ2 3.97Å; N726-Q738 WeakPolarHBondContact OD1-CG 3.24Å; N726-Q738 PolarHBondContact OD1-NE2 2.97Å
727	A	96.6	Very high	94.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.5	172.3	0	0	0	0	0	111.1	F716 V717 I736 F737	F716-A727 WeakPolarHBondContact O-CA 3.48Å; V717-A727 HydrophobicContact CG1-CB 4.32Å; A727-I736 HydrophobicContact CB-CB 4.33Å; A727-I736 PolarHBondContact O-N 3.01Å; A727-F737 HydrophobicContact CB-CD1 3.62Å; A727-F737 HydrophobicContact CB-CD2 3.89Å; A727-F737 HydrophobicContact CB-CE1 3.39Å; A727-F737 HydrophobicContact CB-CE2 3.67Å; A727-F737 HydrophobicContact CB-CG 3.85Å; A727-F737 HydrophobicContact CB-CZ 3.41Å; A727-F737 VanDerWaalsContact CB-CZ 3.41Å; A727-F737 PolarHBondContact N-O 3.46Å
728	W	95.9	Very high	94.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.6	-164.3	-56.6	100.5	0	0	0	111.7	Y449 L697 L699 W715 F716 S718 N726 G733 A734 I736	Y449-W728 HydrophobicContact CD2-CZ3 4.02Å; Y449-W728 HydrophobicContact CE2-CZ3 4.11Å; L697-W728 HydrophobicContact CB-CE3 4.5Å; L697-W728 HydrophobicContact CB-CH2 3.66Å; L697-W728 HydrophobicContact CB-CZ2 4.3Å; L697-W728 HydrophobicContact CB-CZ3 3.8Å; L697-W728 HydrophobicContact CD1-CD2 4.1Å; L697-W728 HydrophobicContact CD1-CE3 3.9Å; L697-W728 HydrophobicContact CD1-CH2 4.4Å; L697-W728 HydrophobicContact CD1-CZ3 4.05Å; L697-W728 HydrophobicContact CG-CZ3 4.34Å; L699-W728 HydrophobicContact CB-CH2 3.53Å; L699-W728 HydrophobicContact CB-CZ2 4.01Å; L699-W728 HydrophobicContact CB-CZ3 4.38Å; L699-W728 HydrophobicContact CD1-CH2 3.71Å; L699-W728 HydrophobicContact CD1-CZ3 3.72Å; L699-W728 HydrophobicContact CG-CH2 3.69Å; L699-W728 HydrophobicContact CG-CZ3 4.08Å; W715-W728 CarbonylContact C-O 3.06Å; W715-W728 WeakPolarHBondContact CA-O 3.5Å; W715-W728 VanDerWaalsContact CB-O 3.24Å; W715-W728 WeakPolarHBondContact CB-O 3.45Å; F716-W728 HydrophobicContact CD1-CB 3.97Å; F716-W728 HydrophobicContact CD2-CB 4.03Å; F716-W728 AromaticContact CD2-CD1 3.72Å; F716-W728 HydrophobicContact CD2-CG 4.19Å; F716-W728 HydrophobicContact CE1-CB 3.6Å; F716-W728 HydrophobicContact CE1-CG 4.41Å; F716-W728 HydrophobicContact CE2-CB 3.67Å; F716-W728 AromaticContact CE2-CD1 3.35Å; F716-W728 AromaticContact CE2-CG 3.63Å; F716-W728 HydrophobicContact CE2-CG 3.63Å; F716-W728 HydrophobicContact CG-CB 4.17Å; F716-W728 HydrophobicContact CZ-CB 3.44Å; F716-W728 VanDerWaalsContact CZ-CB 3.44Å; F716-W728 AromaticContact CZ-CD1 3.98Å; F716-W728 AromaticContact CZ-CG 3.77Å; F716-W728 HydrophobicContact CZ-CG 3.77Å; F716-W728 PolarHBondContact N-O 3.03Å; F716-W728 PolarHBondContact O-N 2.86Å; S718-W728 PolarHBondContact OG-NE1 3.03Å; N726-W728 HydrophobicContact CB-CZ2 3.97Å; W728-G733 VanDerWaalsContact CE3-O 3.26Å; W728-G733 WeakPolarHBondContact CZ3-O 3.44Å; W728-A734 CarbonylContact C-O 3.59Å; W728-A734 WeakPolarHBondContact CA-O 3.38Å; W728-I736 VanDerWaalsContact C-CD1 3.5Å
729	R	95.4	Very high	94.7	Very high	31 Å²	31	20.8 Å²	20.8	12%	0.117	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.1	172.4	-174.1	76.6	176.3	77.6	12.4	110.7	D467 A468 K714 Y732 G733 A734 I736	D467-R729 PolarHBondContact O-NE 3.29Å; D467-R729 IonicContact OD2-CZ 2.91Å; D467-R729 IonicContact OD2-NE 3.42Å; D467-R729 IonicContact OD2-NH2 3.72Å; D467-R729 PolarHBondContact OD2-NH2 3.17Å; A468-R729 WeakPolarHBondContact O-CB 3.34Å; A468-R729 WeakPolarHBondContact O-CD 3.5Å; A468-R729 VanDerWaalsContact O-CG 3.28Å; A468-R729 WeakPolarHBondContact O-CG 3.21Å; K714-R729 PolarHBondContact O-NH1 2.66Å; R729-Y732 HydrophobicContact CB-CE2 4.01Å; R729-Y732 HydrophobicContact CG-CE2 3.56Å; R729-Y732 WeakPolarHBondContact CG-OH 3.33Å; R729-G733 VanDerWaalsContact O-CA 3.32Å; R729-G733 WeakPolarHBondContact O-CA 3.34Å; R729-G733 PolarHBondContact O-N 2.94Å; R729-A734 HydrophobicContact CB-CB 3.92Å; R729-A734 PolarHBondContact N-O 3.05Å; R729-I736 HydrophobicContact CB-CD1 4.18Å; R729-I736 HydrophobicContact CB-CG1 4.23Å
730	T	94	Very high	94.6	Very high	10 Å²	10	27.4 Å²	27.4	6%	0.061	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	137.3	174.2	-46.8	0	0	0	0	110.8	F709 G713 K714 W715	F709-T730 HydrophobicContact CE1-CG2 3.9Å; G713-T730 WeakPolarHBondContact O-CB 3.33Å; G713-T730 PolarHBondContact O-OG1 2.99Å; K714-T730 VanDerWaalsContact C-OG1 3.3Å; K714-T730 PolarHBondContact O-N 2.8Å; K714-T730 PolarHBondContact O-OG1 3.35Å; W715-T730 PolarHBondContact N-OG1 3Å
731	P	91.8	Very high	94.5	Very high	21 Å²	21	28.1 Å²	28.1	14%	0.136	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.3	-24.3	-5.9	35.8	-35.3	0	0	0	114.3	W674 V686 Y695 G733	W674-P731 HydrophobicContact CD2-CB 3.41Å; W674-P731 VanDerWaalsContact CD2-CB 3.41Å; W674-P731 HydrophobicContact CD2-CG 4.2Å; W674-P731 VanDerWaalsContact CE2-CB 3.43Å; W674-P731 HydrophobicContact CE3-CB 3.76Å; W674-P731 HydrophobicContact CG-CB 3.82Å; W674-P731 HydrophobicContact CH2-CB 4.1Å; W674-P731 HydrophobicContact CH2-CG 4.15Å; W674-P731 HydrophobicContact CZ2-CB 3.81Å; W674-P731 HydrophobicContact CZ2-CG 3.68Å; W674-P731 HydrophobicContact CZ3-CB 4.09Å; V686-P731 HydrophobicContact CG1-CB 4.37Å; Y695-P731 HydrophobicContact CD2-CB 4.18Å; Y695-P731 HydrophobicContact CE2-CB 3.9Å; Y695-P731 HydrophobicContact CE2-CG 3.84Å; P731-G733 PolarHBondContact O-N 3.33Å; P731-G733 VanDerWaalsContact O-N 3.09Å
732	Y	90.6	Very high	94.4	Very high	23 Å²	23	26.4 Å²	26.4	9%	0.09	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	5.4	-168.9	45.3	-103.3	0	0	0	115.4	S450 F464 P465 A468 R729 A734	S450-Y732 PolarHBondContact OG-O 3.04Å; F464-Y732 AromaticContact CD1-CD2 3.86Å; F464-Y732 HydrophobicContact CD1-CD2 3.86Å; F464-Y732 HydrophobicContact CD1-CE2 4.36Å; F464-Y732 HydrophobicContact CE1-CD2 4.22Å; P465-Y732 HydrophobicContact CG-CE1 3.84Å; P465-Y732 HydrophobicContact CG-CE2 4.3Å; P465-Y732 WeakPolarHBondContact CG-OH 3.34Å; A468-Y732 WeakPolarHBondContact CA-OH 3.33Å; A468-Y732 HydrophobicContact CB-CE2 3.66Å; R729-Y732 HydrophobicContact CB-CE2 4.01Å; R729-Y732 HydrophobicContact CG-CE2 3.56Å; R729-Y732 WeakPolarHBondContact CG-OH 3.33Å; Y732-A734 HydrophobicContact CD2-CB 4.1Å; Y732-A734 HydrophobicContact CE2-CB 3.96Å; Y732-A734 PolarHBondContact O-N 3.38Å
733	G	92.4	Very high	94.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	45.9	170.9	0	0	0	0	0	114.6	Y449 W728 R729 P731	Y449-G733 WeakPolarHBondContact CE2-O 3.29Å; W728-G733 VanDerWaalsContact CE3-O 3.26Å; W728-G733 WeakPolarHBondContact CZ3-O 3.44Å; R729-G733 VanDerWaalsContact O-CA 3.32Å; R729-G733 WeakPolarHBondContact O-CA 3.34Å; R729-G733 PolarHBondContact O-N 2.94Å; P731-G733 PolarHBondContact O-N 3.33Å; P731-G733 VanDerWaalsContact O-N 3.09Å
734	A	93.4	Very high	94.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.5	164.5	0	0	0	0	0	109.3	F464 A468 L469 W728 R729 Y732 I736	F464-A734 HydrophobicContact CD1-CB 3.77Å; F464-A734 HydrophobicContact CD2-CB 4.49Å; F464-A734 HydrophobicContact CE1-CB 3.72Å; F464-A734 HydrophobicContact CE2-CB 4.44Å; F464-A734 HydrophobicContact CG-CB 4.18Å; F464-A734 HydrophobicContact CZ-CB 4.07Å; A468-A734 HydrophobicContact CB-CB 3.87Å; L469-A734 HydrophobicContact CD2-CB 3.87Å; W728-A734 CarbonylContact C-O 3.59Å; W728-A734 WeakPolarHBondContact CA-O 3.38Å; R729-A734 HydrophobicContact CB-CB 3.92Å; R729-A734 PolarHBondContact N-O 3.05Å; Y732-A734 HydrophobicContact CD2-CB 4.1Å; Y732-A734 HydrophobicContact CE2-CB 3.96Å; Y732-A734 PolarHBondContact O-N 3.38Å; A734-I736 PolarHBondContact O-N 3.28Å
735	S	94.8	Very high	94.5	Very high	19 Å²	19	26 Å²	26	13%	0.133	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	106.5	-176.8	-173.1	0	0	0	0	110.6	Y449 L469 L699	Y449-S735 WeakPolarHBondContact OH-CB 3.23Å; Y449-S735 PolarHBondContact OH-N 2.94Å; L469-S735 WeakPolarHBondContact CD2-O 3.43Å; L699-S735 VanDerWaalsContact CD1-CB 3.46Å; L699-S735 WeakPolarHBondContact CD1-OG 3.42Å
736	I	94.1	Very high	94.5	Very high	23 Å²	23	28.4 Å²	28.4	12%	0.118	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-53.3	-176	-58.6	168.1	0	0	0	109.9	I474 P475 W715 A727 W728 R729 A734	I474-I736 HydrophobicContact CG2-CD1 3.99Å; I474-I736 HydrophobicContact CG2-CG1 4.2Å; I474-I736 HydrophobicContact CG2-CG2 4Å; P475-I736 HydrophobicContact CB-CG2 4.3Å; P475-I736 WeakPolarHBondContact O-CG2 3.4Å; W715-I736 HydrophobicContact CB-CD1 3.55Å; W715-I736 HydrophobicContact CG-CD1 4.36Å; A727-I736 HydrophobicContact CB-CB 4.33Å; A727-I736 PolarHBondContact O-N 3.01Å; W728-I736 VanDerWaalsContact C-CD1 3.5Å; R729-I736 HydrophobicContact CB-CD1 4.18Å; R729-I736 HydrophobicContact CB-CG1 4.23Å; A734-I736 PolarHBondContact O-N 3.28Å
737	F	94.3	Very high	94.5	Very high	21 Å²	21	28.8 Å²	28.8	9%	0.092	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	163.8	171.6	66.8	-101.3	0	0	0	110.7	P475 A478 L725 A727 I757	P475-F737 HydrophobicContact CB-CD1 4.09Å; P475-F737 HydrophobicContact CB-CE1 3.82Å; P475-F737 HydrophobicContact CG-CE1 4.26Å; A478-F737 HydrophobicContact CB-CD2 4.1Å; A478-F737 HydrophobicContact CB-CE1 4.18Å; A478-F737 HydrophobicContact CB-CE2 3.51Å; A478-F737 HydrophobicContact CB-CZ 3.56Å; L725-F737 HydrophobicContact CD2-CE2 4.46Å; A727-F737 HydrophobicContact CB-CD1 3.62Å; A727-F737 HydrophobicContact CB-CD2 3.89Å; A727-F737 HydrophobicContact CB-CE1 3.39Å; A727-F737 HydrophobicContact CB-CE2 3.67Å; A727-F737 HydrophobicContact CB-CG 3.85Å; A727-F737 HydrophobicContact CB-CZ 3.41Å; A727-F737 VanDerWaalsContact CB-CZ 3.41Å; A727-F737 PolarHBondContact N-O 3.46Å; F737-I757 HydrophobicContact CZ-CD1 3.78Å
738	Q	94.3	Very high	94.5	Very high	81 Å²	81	29.2 Å²	29.2	38%	0.379	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121.6	177.6	176.6	168.2	68	0	0	108.1	L724 L725 N726	L724-Q738 HydrophobicContact CD2-CG 4.17Å; L725-Q738 WeakPolarHBondContact O-CA 3.48Å; N726-Q738 WeakPolarHBondContact OD1-CG 3.24Å; N726-Q738 PolarHBondContact OD1-NE2 2.97Å
739	S	94.9	Very high	94.5	Very high	28 Å²	28	29.5 Å²	29.5	20%	0.196	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137	171.4	-168.6	0	0	0	0	108.9	L725 Y769	L725-S739 PolarHBondContact N-O 3.38Å; L725-S739 PolarHBondContact O-N 3.15Å; S739-Y769 PolarHBondContact OG-OH 3.2Å
740	K	94.4	Very high	94.6	Very high	140 Å²	140	28 Å²	28	61%	0.609	15%	0.154	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.7	174.5	-174.9	158.5	-172.2	155.8	0	109	L724	L724-K740 HydrophobicContact CD2-CB 3.94Å; L724-K740 HydrophobicContact CD2-CD 4.04Å; L724-K740 HydrophobicContact CD2-CG 4.03Å
741	E	94.2	Very high	94.6	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.065	15%	0.151	C	C	.	.			trans	-80.3	169.5	170	-66.2	-158.4	-134.9	0	0	110.4	N723 S743 V745 T759 T767 Y769	N723-E741 VanDerWaalsContact CB-O 3.23Å; N723-E741 WeakPolarHBondContact CB-O 3.45Å; N723-E741 PolarHBondContact O-N 3.44Å; E741-S743 VanDerWaalsContact C-N 3.3Å; E741-S743 PolarHBondContact O-N 2.95Å; E741-V745 HydrophobicContact CB-CG2 3.83Å; E741-V745 HydrophobicContact CG-CG2 3.93Å; E741-T759 VanDerWaalsContact OE1-CB 3.3Å; E741-T759 WeakPolarHBondContact OE1-CB 3.41Å; E741-T759 PolarHBondContact OE1-OG1 2.98Å; E741-T767 PolarHBondContact OE2-OG1 3.29Å; E741-Y769 VanDerWaalsContact CG-OH 3.27Å; E741-Y769 WeakPolarHBondContact CG-OH 3.43Å; E741-Y769 PolarHBondContact OE1-OH 2.9Å
742	S	92.5	Very high	94.6	Very high	78 Å²	78	28.5 Å²	28.5	55%	0.545	16%	0.161	S	C	.	.	S	Bend	trans	-77.4	-13.4	-179.7	45.9	0	0	0	0	114.1	N723 D763 K765	N723-S742 PolarHBondContact ND2-O 2.66Å; S742-D763 WeakPolarHBondContact CB-OD2 3.35Å; S742-D763 PolarHBondContact OG-OD2 3.29Å; S742-K765 PolarHBondContact OG-NZ 2.96Å
743	S	95.4	Very high	94.7	Very high	26 Å²	26	30.2 Å²	30.2	18%	0.182	17%	0.171	C	C	.	.	S	Bend	trans	-157.6	167	-176.9	-173.5	0	0	0	0	111.3	N723 E741 D763	N723-S743 WeakPolarHBondContact CB-O 3.34Å; N723-S743 VanDerWaalsContact CG-CA 3.42Å; N723-S743 WeakPolarHBondContact ND2-CA 3.48Å; N723-S743 PolarHBondContact ND2-N 3.38Å; N723-S743 WeakPolarHBondContact OD1-CA 3.37Å; E741-S743 VanDerWaalsContact C-N 3.3Å; E741-S743 PolarHBondContact O-N 2.95Å; S743-D763 WeakPolarHBondContact CB-OD1 3.43Å; S743-D763 WeakPolarHBondContact CB-OD2 3.32Å; S743-D763 PolarHBondContact OG-OD1 3.24Å
744	S	95.5	Very high	94.8	Very high	30 Å²	30	30.8 Å²	30.8	21%	0.21	17%	0.174	C	C	.	.			trans	-52.1	135.6	-170.5	-56.7	0	0	0	0	112.4	K721 N723 S761 G762	K721-S744 PolarHBondContact O-OG 3.25Å; N723-S744 WeakPolarHBondContact OD1-CA 3.38Å; N723-S744 PolarHBondContact OD1-N 3.47Å; S744-S761 CarbonylContact O-C 3.44Å; S744-S761 WeakPolarHBondContact O-CA 3.47Å; S744-G762 PolarHBondContact O-N 2.89Å
745	V	96.5	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	103.2	-174.6	-173.4	0	0	0	0	109.5	T719 G720 E741 T759 G760	T719-V745 VanDerWaalsContact CB-O 3.31Å; T719-V745 WeakPolarHBondContact CB-O 3.5Å; T719-V745 HydrophobicContact CG2-CB 4.41Å; T719-V745 HydrophobicContact CG2-CG1 3.66Å; T719-V745 PolarHBondContact OG1-O 3.42Å; G720-V745 PolarHBondContact O-N 3.48Å; E741-V745 HydrophobicContact CB-CG2 3.83Å; E741-V745 HydrophobicContact CG-CG2 3.93Å; V745-T759 HydrophobicContact CG1-CG2 3.89Å; V745-G760 CarbonylContact C-O 3.46Å
746	L	96.1	Very high	94.9	Very high	51 Å²	51	37.4 Å²	37.4	27%	0.267	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-33	-164.2	-71.7	149.8	0	0	0	114	V489 L705 G760	V489-L746 HydrophobicContact CG1-CD1 3.28Å; L705-L746 HydrophobicContact CD1-CD2 4.05Å; L705-L746 HydrophobicContact CD1-CG 4.37Å; L746-G760 PolarHBondContact N-O 2.87Å
747	S	96.3	Very high	95	Very high	8 Å²	8	36.3 Å²	36.3	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152	-174.8	56.4	0	0	0	0	111	V490 C491 T759 G760	V490-S747 PolarHBondContact O-OG 2.8Å; C491-S747 WeakPolarHBondContact O-CB 3.46Å; S747-T759 CarbonylContact O-C 3.58Å; S747-T759 WeakPolarHBondContact O-CA 3.5Å; S747-G760 PolarHBondContact N-O 3.44Å; S747-G760 PolarHBondContact O-N 2.81Å
748	C	96.8	Very high	95.1	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.068	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.3	171.5	64.3	0	0	0	0	112.4	S706 V717 T719 V758 T759	S706-C748 PolarHBondContact OG-N 3.03Å; S706-C748 VanDerWaalsContact OG-N 3.16Å; S706-C748 PolarHBondContact OG-SG 3.5Å; V717-C748 HydrophobicContact CG2-CB 4.31Å; T719-C748 HydrophobicContact CG2-CB 3.77Å; C748-V758 CarbonylContact C-O 3.53Å; C748-V758 VanDerWaalsContact CA-O 3.22Å; C748-V758 WeakPolarHBondContact CA-O 3.32Å; C748-T759 HydrophobicContact CB-CG2 4.47Å
749	D	97.1	Very high	95.3	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	156.5	164.2	-158.7	9.3	0	0	0	110.1	V493 T494 I495 K708 I757 V758	V493-D749 HydrophobicContact CG2-CB 4.23Å; T494-D749 VanDerWaalsContact CA-OD2 3.22Å; T494-D749 WeakPolarHBondContact CA-OD2 3.32Å; T494-D749 WeakPolarHBondContact CB-OD2 3.46Å; T494-D749 PolarHBondContact OG1-OD2 3.35Å; I495-D749 PolarHBondContact N-OD2 3.34Å; K708-D749 IonicContact NZ-OD1 3.79Å; K708-D749 PolarHBondContact NZ-OD1 2.62Å; D749-I757 WeakPolarHBondContact O-CA 3.39Å; D749-V758 PolarHBondContact N-O 3.21Å; D749-V758 PolarHBondContact O-N 3.39Å
750	I	96.4	Very high	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.3	179.2	-57.6	-178.1	0	0	0	107.9	K708 A710 Y711 W715 V717 Y756 I757	K708-I750 HydrophobicContact CB-CD1 4.4Å; K708-I750 HydrophobicContact CB-CG1 4.36Å; K708-I750 HydrophobicContact CG-CB 4.17Å; K708-I750 HydrophobicContact CG-CD1 4.05Å; K708-I750 HydrophobicContact CG-CG1 3.8Å; A710-I750 HydrophobicContact CB-CD1 4.46Å; Y711-I750 HydrophobicContact CE2-CB 4.46Å; Y711-I750 VanDerWaalsContact CE2-O 3.31Å; Y711-I750 WeakPolarHBondContact CE2-O 3.3Å; Y711-I750 PolarHBondContact OH-O 3.31Å; W715-I750 HydrophobicContact CH2-CD1 4.12Å; W715-I750 HydrophobicContact CZ3-CD1 4.19Å; V717-I750 HydrophobicContact CG1-CD1 4.27Å; V717-I750 HydrophobicContact CG2-CD1 4.12Å; I750-Y756 WeakPolarHBondContact CA-O 3.36Å; I750-I757 HydrophobicContact CG1-CG1 4.27Å
751	S	94.9	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.			trans	-70.2	150.9	174.8	59.8	0	0	0	0	113	Y711 D753 D754 K755 Y756	Y711-S751 WeakPolarHBondContact CD2-O 3.36Å; Y711-S751 VanDerWaalsContact CE2-C 3.46Å; Y711-S751 WeakPolarHBondContact CE2-O 3.37Å; S751-D753 WeakPolarHBondContact CB-OD1 3.49Å; S751-D753 PolarHBondContact O-N 3.44Å; S751-D753 PolarHBondContact OG-OD1 3.08Å; S751-D754 PolarHBondContact O-N 3.04Å; S751-K755 PolarHBondContact OG-N 2.94Å; S751-K755 VanDerWaalsContact OG-N 3.16Å; S751-Y756 PolarHBondContact N-O 3.49Å; S751-Y756 PolarHBondContact OG-N 2.98Å
752	A	91.8	Very high	95.4	Very high	41 Å²	41	23.8 Å²	23.8	34%	0.339	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.3	179.4	0	0	0	0	0	115	N497	N497-A752 HydrophobicContact CB-CB 4.33Å
753	D	92.4	Very high	95.5	Very high	59 Å²	59	23.3 Å²	23.3	32%	0.316	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	10.6	175.3	73.6	-22.8	0	0	0	113.3	S751 K755	S751-D753 WeakPolarHBondContact CB-OD1 3.49Å; S751-D753 PolarHBondContact O-N 3.44Å; S751-D753 PolarHBondContact OG-OD1 3.08Å; D753-K755 PolarHBondContact O-N 3.46Å; D753-K755 PolarHBondContact OD1-N 3.35Å; D753-K755 WeakPolarHBondContact OD2-CG 3.43Å; D753-K755 IonicContact OD2-NZ 2.87Å; D753-K755 PolarHBondContact OD2-NZ 2.96Å
754	D	94.8	Very high	95.4	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.064	14%	0.142	C	C	.	.	S	Bend	trans	55.7	11	-178.4	-65.4	-31.4	0	0	0	116	A710 Y711 C712 W715 S751 V771 Y773	A710-D754 VanDerWaalsContact CA-OD1 3.31Å; A710-D754 WeakPolarHBondContact CA-OD1 3.43Å; A710-D754 WeakPolarHBondContact CB-OD1 3.37Å; Y711-D754 WeakPolarHBondContact CD2-OD1 3.38Å; Y711-D754 PolarHBondContact N-OD1 3.2Å; Y711-D754 PolarHBondContact N-OD2 3.18Å; C712-D754 WeakPolarHBondContact CB-OD2 3.32Å; C712-D754 PolarHBondContact N-OD2 3.45Å; C712-D754 PolarHBondContact SG-OD2 3.46Å; W715-D754 HydrophobicContact CZ2-CB 4.26Å; S751-D754 PolarHBondContact O-N 3.04Å; D754-V771 WeakPolarHBondContact O-CB 3.31Å; D754-Y773 WeakPolarHBondContact CB-OH 3.5Å; D754-Y773 PolarHBondContact O-OH 3.1Å
755	K	93.7	Very high	95.4	Very high	105 Å²	105	26.5 Å²	26.5	46%	0.457	14%	0.139	S	C	.	.	S	Bend	trans	-82.5	-19.1	-179.6	-64.9	-159.4	-158.3	82.3	0	115.6	S751 D753 V771	S751-K755 PolarHBondContact OG-N 2.94Å; S751-K755 VanDerWaalsContact OG-N 3.16Å; D753-K755 PolarHBondContact O-N 3.46Å; D753-K755 PolarHBondContact OD1-N 3.35Å; D753-K755 WeakPolarHBondContact OD2-CG 3.43Å; D753-K755 IonicContact OD2-NZ 2.87Å; D753-K755 PolarHBondContact OD2-NZ 2.96Å; K755-V771 PolarHBondContact O-N 2.95Å
756	Y	95.4	Very high	95.4	Very high	53 Å²	53	26.5 Å²	26.5	21%	0.208	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.7	-176.6	-59.4	-77	0	0	0	112	I481 T499 I750 S751 V768 Y769 E770	I481-Y756 HydrophobicContact CD1-CD1 4.12Å; I481-Y756 HydrophobicContact CD1-CE1 3.79Å; T499-Y756 HydrophobicContact CG2-CD2 4Å; T499-Y756 HydrophobicContact CG2-CE2 4.47Å; I750-Y756 WeakPolarHBondContact CA-O 3.36Å; S751-Y756 PolarHBondContact N-O 3.49Å; S751-Y756 PolarHBondContact OG-N 2.98Å; Y756-V768 HydrophobicContact CD1-CG1 4.47Å; Y756-Y769 VanDerWaalsContact CA-O 3.28Å; Y756-Y769 WeakPolarHBondContact CA-O 3.32Å; Y756-E770 HydrophobicContact CD1-CB 4.4Å; Y756-E770 HydrophobicContact CE1-CB 4.26Å; Y756-E770 HydrophobicContact CE1-CG 4.21Å
757	I	97	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.6	168	-56.9	158.7	0	0	0	107.1	W715 V717 L725 F737 D749 I750 T759 Y769 V771	W715-I757 HydrophobicContact CH2-CD1 3.95Å; W715-I757 HydrophobicContact CH2-CG1 4.18Å; W715-I757 HydrophobicContact CZ3-CD1 4.01Å; V717-I757 HydrophobicContact CG1-CD1 4.11Å; L725-I757 HydrophobicContact CD2-CG2 4.47Å; F737-I757 HydrophobicContact CZ-CD1 3.78Å; D749-I757 WeakPolarHBondContact O-CA 3.39Å; I750-I757 HydrophobicContact CG1-CG1 4.27Å; I757-T759 HydrophobicContact CG2-CG2 4.32Å; I757-Y769 PolarHBondContact N-O 3.27Å; I757-Y769 PolarHBondContact O-N 3.34Å; I757-V771 HydrophobicContact CD1-CG2 3.69Å; I757-V771 HydrophobicContact CG1-CG2 3.68Å
758	V	96.8	Very high	95.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.9	169.7	-171.3	0	0	0	0	108.1	V493 I495 V502 C748 D749 A766 T767	V493-V758 HydrophobicContact CB-CG1 4Å; V493-V758 HydrophobicContact CG1-CG1 4.02Å; V493-V758 HydrophobicContact CG2-CB 4.42Å; V493-V758 HydrophobicContact CG2-CG1 4.3Å; I495-V758 HydrophobicContact CB-CG2 4.31Å; I495-V758 HydrophobicContact CD1-CG2 4.08Å; V502-V758 HydrophobicContact CG1-CG1 3.66Å; V502-V758 HydrophobicContact CG1-CG2 4.15Å; V502-V758 HydrophobicContact CG2-CG2 3.89Å; C748-V758 CarbonylContact C-O 3.53Å; C748-V758 VanDerWaalsContact CA-O 3.22Å; C748-V758 WeakPolarHBondContact CA-O 3.32Å; D749-V758 PolarHBondContact N-O 3.21Å; D749-V758 PolarHBondContact O-N 3.39Å; V758-A766 HydrophobicContact CG1-CB 4.47Å; V758-T767 WeakPolarHBondContact CA-O 3.36Å
759	T	97.3	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.1	172.5	55.9	0	0	0	0	111.1	T719 L725 E741 V745 S747 C748 I757 A766 T767 Y769	T719-T759 HydrophobicContact CG2-CG2 4.48Å; L725-T759 HydrophobicContact CD1-CG2 4.16Å; L725-T759 HydrophobicContact CD2-CG2 4.05Å; E741-T759 VanDerWaalsContact OE1-CB 3.3Å; E741-T759 WeakPolarHBondContact OE1-CB 3.41Å; E741-T759 PolarHBondContact OE1-OG1 2.98Å; V745-T759 HydrophobicContact CG1-CG2 3.89Å; S747-T759 CarbonylContact O-C 3.58Å; S747-T759 WeakPolarHBondContact O-CA 3.5Å; C748-T759 HydrophobicContact CB-CG2 4.47Å; I757-T759 HydrophobicContact CG2-CG2 4.32Å; T759-A766 CarbonylContact O-C 3.5Å; T759-A766 WeakPolarHBondContact O-CA 3.37Å; T759-A766 WeakPolarHBondContact O-CB 3.42Å; T759-T767 PolarHBondContact N-O 3.48Å; T759-T767 PolarHBondContact O-N 2.88Å; T759-T767 WeakPolarHBondContact OG1-CB 3.43Å; T759-T767 PolarHBondContact OG1-O 3.1Å; T759-Y769 HydrophobicContact CG2-CE2 4.14Å
760	G	96.6	Very high	95.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.1	169.1	0	0	0	0	0	110.8	V745 L746 S747	V745-G760 CarbonylContact C-O 3.46Å; L746-G760 PolarHBondContact N-O 2.87Å; S747-G760 PolarHBondContact N-O 3.44Å; S747-G760 PolarHBondContact O-N 2.81Å
761	S	95.8	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	150.8	-172.4	-177.9	0	0	0	0	113	S744 D763 K764 K765	S744-S761 CarbonylContact O-C 3.44Å; S744-S761 WeakPolarHBondContact O-CA 3.47Å; S761-D763 PolarHBondContact O-N 2.89Å; S761-D763 PolarHBondContact OG-N 3.02Å; S761-K764 PolarHBondContact O-N 3.3Å; S761-K765 PolarHBondContact N-O 3.25Å
762	G	93.9	Very high	95	Very high	22 Å²	22	27.9 Å²	27.9	23%	0.227	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.2	169.3	0	0	0	0	0	113.5	S744 K764	S744-G762 PolarHBondContact O-N 2.89Å; G762-K764 PolarHBondContact O-N 3.46Å
763	D	94.2	Very high	95.1	Very high	68 Å²	68	30.4 Å²	30.4	36%	0.364	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	27.5	173.6	-81.7	-8.8	0	0	0	114.3	S742 S743 S761 K765	S742-D763 WeakPolarHBondContact CB-OD2 3.35Å; S742-D763 PolarHBondContact OG-OD2 3.29Å; S743-D763 WeakPolarHBondContact CB-OD1 3.43Å; S743-D763 WeakPolarHBondContact CB-OD2 3.32Å; S743-D763 PolarHBondContact OG-OD1 3.24Å; S761-D763 PolarHBondContact O-N 2.89Å; S761-D763 PolarHBondContact OG-N 3.02Å; D763-K765 HydrophobicContact CB-CD 3.76Å; D763-K765 HydrophobicContact CB-CG 4.05Å; D763-K765 PolarHBondContact O-N 2.87Å; D763-K765 VanDerWaalsContact O-N 3.08Å; D763-K765 IonicContact OD2-NZ 2.63Å; D763-K765 PolarHBondContact OD2-NZ 3.41Å
764	K	94.9	Very high	95.2	Very high	87 Å²	87	29 Å²	29	38%	0.378	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	31.3	174.3	-65.7	169.1	157.8	-91.9	0	113.5	H486 G487 E488 V489 S761 G762	H486-K764 PolarHBondContact N-O 3Å; G487-K764 PolarHBondContact N-O 3.14Å; G487-K764 WeakPolarHBondContact O-CD 3.36Å; G487-K764 PolarHBondContact O-NZ 2.9Å; E488-K764 CarbonylContact O-C 3.57Å; E488-K764 VanDerWaalsContact O-CA 3.25Å; E488-K764 WeakPolarHBondContact O-CA 3.42Å; E488-K764 IonicContact OE1-NZ 3.92Å; E488-K764 PolarHBondContact OE1-NZ 3.18Å; E488-K764 IonicContact OE2-NZ 2.68Å; E488-K764 PolarHBondContact OE2-NZ 3.31Å; V489-K764 HydrophobicContact CG2-CG 4.17Å; S761-K764 PolarHBondContact O-N 3.3Å; G762-K764 PolarHBondContact O-N 3.46Å
765	K	94.8	Very high	95.2	Very high	36 Å²	36	29.8 Å²	29.8	16%	0.157	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	160.8	-173	73.2	-167.2	-175.7	-153.5	0	111.2	T483 L484 V490 S742 S761 D763	T483-K765 HydrophobicContact CG2-CB 4.35Å; T483-K765 HydrophobicContact CG2-CD 4.05Å; T483-K765 HydrophobicContact CG2-CG 4.5Å; L484-K765 CarbonylContact O-C 3.59Å; L484-K765 VanDerWaalsContact O-CA 3.31Å; L484-K765 WeakPolarHBondContact O-CA 3.43Å; V490-K765 WeakPolarHBondContact CG2-O 3.28Å; S742-K765 PolarHBondContact OG-NZ 2.96Å; S761-K765 PolarHBondContact N-O 3.25Å; D763-K765 HydrophobicContact CB-CD 3.76Å; D763-K765 HydrophobicContact CB-CG 4.05Å; D763-K765 PolarHBondContact O-N 2.87Å; D763-K765 VanDerWaalsContact O-N 3.08Å; D763-K765 IonicContact OD2-NZ 2.63Å; D763-K765 PolarHBondContact OD2-NZ 3.41Å
766	A	95.8	Very high	95.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.7	162.1	0	0	0	0	0	110.6	L484 V490 V493 T504 V758 T759	L484-A766 HydrophobicContact CB-CB 4.22Å; L484-A766 HydrophobicContact CD1-CB 4.4Å; L484-A766 PolarHBondContact N-O 3.45Å; L484-A766 PolarHBondContact O-N 3.16Å; V490-A766 HydrophobicContact CG1-CB 4.36Å; V493-A766 HydrophobicContact CG1-CB 4.3Å; T504-A766 HydrophobicContact CG2-CB 3.58Å; V758-A766 HydrophobicContact CG1-CB 4.47Å; T759-A766 CarbonylContact O-C 3.5Å; T759-A766 WeakPolarHBondContact O-CA 3.37Å; T759-A766 WeakPolarHBondContact O-CB 3.42Å
767	T	95.2	Very high	95.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135	178.8	-52	0	0	0	0	109	Q480 E741 V758 T759 Y769	Q480-T767 HydrophobicContact CB-CG2 4.48Å; Q480-T767 HydrophobicContact CG-CG2 3.64Å; E741-T767 PolarHBondContact OE2-OG1 3.29Å; V758-T767 WeakPolarHBondContact CA-O 3.36Å; T759-T767 PolarHBondContact N-O 3.48Å; T759-T767 PolarHBondContact O-N 2.88Å; T759-T767 WeakPolarHBondContact OG1-CB 3.43Å; T759-T767 PolarHBondContact OG1-O 3.1Å; T767-Y769 HydrophobicContact CG2-CD2 4.06Å; T767-Y769 HydrophobicContact CG2-CE1 4.32Å; T767-Y769 HydrophobicContact CG2-CE2 3.48Å; T767-Y769 VanDerWaalsContact CG2-CE2 3.48Å
768	V	95.3	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.3	175.1	-172.8	0	0	0	0	108.8	I481 N482 L484 I515 Y756	I481-V768 HydrophobicContact CD1-CG1 4.11Å; I481-V768 HydrophobicContact CG1-CB 4.3Å; I481-V768 HydrophobicContact CG1-CG1 4.08Å; I481-V768 WeakPolarHBondContact CG1-O 3.29Å; I481-V768 PolarHBondContact N-O 2.87Å; N482-V768 HydrophobicContact CB-CB 4.11Å; N482-V768 HydrophobicContact CB-CG2 4.22Å; N482-V768 PolarHBondContact N-O 2.88Å; N482-V768 PolarHBondContact O-N 3.49Å; L484-V768 HydrophobicContact CD1-CG2 3.77Å; L484-V768 HydrophobicContact CG-CG2 4.13Å; I515-V768 HydrophobicContact CG2-CG2 4.29Å; Y756-V768 HydrophobicContact CD1-CG1 4.47Å
769	Y	95.6	Very high	95.1	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.2	175.3	-59.5	-96.9	0	0	0	110.7	A478 R479 Q480 L725 S739 E741 Y756 I757 T759 T767	A478-Y769 HydrophobicContact CB-CD1 4.05Å; A478-Y769 HydrophobicContact CB-CG 4.35Å; R479-Y769 CarbonylContact O-C 3.52Å; R479-Y769 VanDerWaalsContact O-CA 3.28Å; R479-Y769 WeakPolarHBondContact O-CA 3.48Å; Q480-Y769 HydrophobicContact CB-CD1 4.02Å; Q480-Y769 HydrophobicContact CB-CE1 3.99Å; L725-Y769 HydrophobicContact CD2-CD2 4.14Å; L725-Y769 HydrophobicContact CD2-CE2 3.86Å; S739-Y769 PolarHBondContact OG-OH 3.2Å; E741-Y769 VanDerWaalsContact CG-OH 3.27Å; E741-Y769 WeakPolarHBondContact CG-OH 3.43Å; E741-Y769 PolarHBondContact OE1-OH 2.9Å; Y756-Y769 VanDerWaalsContact CA-O 3.28Å; Y756-Y769 WeakPolarHBondContact CA-O 3.32Å; I757-Y769 PolarHBondContact N-O 3.27Å; I757-Y769 PolarHBondContact O-N 3.34Å; T759-Y769 HydrophobicContact CG2-CE2 4.14Å; T767-Y769 HydrophobicContact CG2-CD2 4.06Å; T767-Y769 HydrophobicContact CG2-CE1 4.32Å; T767-Y769 HydrophobicContact CG2-CE2 3.48Å; T767-Y769 VanDerWaalsContact CG2-CE2 3.48Å
770	E	95.3	Very high	94.9	Very high	45 Å²	45	29.2 Å²	29.2	21%	0.21	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.2	167.2	-176	-173.4	-153.8	0	0	109.2	A478 R479 I481 Y756 I772	A478-E770 WeakPolarHBondContact CA-O 3.37Å; R479-E770 IonicContact CZ-OE2 2.75Å; R479-E770 PolarHBondContact N-O 3.34Å; R479-E770 IonicContact NE-OE2 2.7Å; R479-E770 PolarHBondContact NE-OE2 3.06Å; R479-E770 IonicContact NH2-OE1 3.95Å; R479-E770 IonicContact NH2-OE2 2.67Å; R479-E770 PolarHBondContact NH2-OE2 3.41Å; R479-E770 PolarHBondContact O-N 3.38Å; I481-E770 HydrophobicContact CD1-CB 4.27Å; I481-E770 HydrophobicContact CG1-CB 4.45Å; I481-E770 HydrophobicContact CG2-CB 3.9Å; Y756-E770 HydrophobicContact CD1-CB 4.4Å; Y756-E770 HydrophobicContact CE1-CB 4.26Å; Y756-E770 HydrophobicContact CE1-CG 4.21Å; E770-I772 HydrophobicContact CG-CD1 3.86Å
771	V	95.4	Very high	94.8	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.9	-177.4	-173.8	0	0	0	0	108.8	P475 W715 D754 K755 I757 Y773	P475-V771 HydrophobicContact CB-CG1 3.66Å; P475-V771 HydrophobicContact CG-CG1 3.54Å; W715-V771 HydrophobicContact CH2-CG1 4.19Å; W715-V771 HydrophobicContact CH2-CG2 4.18Å; W715-V771 HydrophobicContact CZ2-CG1 4.13Å; D754-V771 WeakPolarHBondContact O-CB 3.31Å; K755-V771 PolarHBondContact O-N 2.95Å; I757-V771 HydrophobicContact CD1-CG2 3.69Å; I757-V771 HydrophobicContact CG1-CG2 3.68Å; V771-Y773 HydrophobicContact CB-CE2 4.16Å; V771-Y773 HydrophobicContact CG1-CD2 4.37Å; V771-Y773 HydrophobicContact CG1-CE1 4.31Å; V771-Y773 HydrophobicContact CG1-CE2 3.68Å
772	I	94.1	Very high	94.7	Very high	45 Å²	45	34.1 Å²	34.1	23%	0.231	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.6	-179.9	-55.7	-53.8	0	0	0	109.5	R476 H477 E770	R476-I772 PolarHBondContact N-O 3.19Å; H477-I772 VanDerWaalsContact CE1-CG1 3.5Å; H477-I772 WeakPolarHBondContact CE1-CG1 3.45Å; H477-I772 PolarHBondContact N-O 2.98Å; H477-I772 PolarHBondContact O-N 2.86Å; E770-I772 HydrophobicContact CG-CD1 3.86Å
773	Y	92.1	Very high	94.8	Very high	94 Å²	94	35.2 Å²	35.2	37%	0.369	16%	0.161	S	C	.	.			trans	-92.7	0	174.4	-66.1	-79.6	0	0	0	111.7	P475 R476 W715 D754 V771	P475-Y773 HydrophobicContact CB-CE1 4.44Å; P475-Y773 HydrophobicContact CG-CE1 3.81Å; R476-Y773 VanDerWaalsContact NE-C 3.31Å; R476-Y773 PolarHBondContact NE-O 3.19Å; R476-Y773 PolarHBondContact NE-OXT 3.04Å; R476-Y773 PolarHBondContact NH2-O 3.32Å; R476-Y773 PolarHBondContact NH2-OXT 2.88Å; W715-Y773 VanDerWaalsContact CZ2-OH 3.25Å; W715-Y773 WeakPolarHBondContact CZ2-OH 3.46Å; W715-Y773 PolarHBondContact NE1-OH 2.95Å; D754-Y773 WeakPolarHBondContact CB-OH 3.5Å; D754-Y773 PolarHBondContact O-OH 3.1Å; V771-Y773 HydrophobicContact CB-CE2 4.16Å; V771-Y773 HydrophobicContact CG1-CD2 4.37Å; V771-Y773 HydrophobicContact CG1-CE1 4.31Å; V771-Y773 HydrophobicContact CG1-CE2 3.68Å

Retrieved 773 of 773 residues in 609.1 ms (Link to these results)

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