A0A077Z4C4_TRITR Loading...

PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4C4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 405 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.9	Low	47.1	Very low	220 Å²	220	146.8 Å²	146.8	100%	1.084	79%	0.787	S	S	*	*				0	110.9	0	-68.7	170.3	-168.5	0	0	106.8	H3	M1-H3 PolarHBondContact O-N 3.2Å
2	Y	51.8	Low	46.8	Very low	230 Å²	230	149.4 Å²	149.4	90%	0.902	79%	0.791	S	S	*	*			trans	-81.5	107.8	175.6	-140.4	-93.2	0	0	0	106.5	P4	Y2-P4 VanDerWaalsContact O-CD 3.28Å; Y2-P4 WeakPolarHBondContact O-CD 3.12Å
3	H	49.8	Very low	47	Very low	157 Å²	157	151.5 Å²	151.5	73%	0.727	79%	0.789	S	S	*	*			trans	-80.7	113.7	171.8	-74.7	-71.1	0	0	0	107.6	M1	M1-H3 PolarHBondContact O-N 3.2Å
4	P	51.1	Low	47.6	Very low	108 Å²	108	145.6 Å²	145.6	70%	0.701	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61.9	139.3	171.9	24.3	-29.6	0	0	0	108.9	Y2	Y2-P4 VanDerWaalsContact O-CD 3.28Å; Y2-P4 WeakPolarHBondContact O-CD 3.12Å
5	P	57.1	Low	48.7	Very low	112 Å²	112	143.3 Å²	143.3	73%	0.727	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.8	143.9	178.9	24	-31.9	0	0	0	109.9	A7	P5-A7 PolarHBondContact O-N 3.07Å
6	P	45.3	Very low	49.9	Very low	125 Å²	125	135.8 Å²	135.8	81%	0.812	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-56.3	129.5	178.4	22.3	-31	0	0	0	109.3
7	A	43.1	Very low	51.1	Low	83 Å²	83	140.2 Å²	140.2	69%	0.686	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-54	135.2	175.2	0	0	0	0	0	109	P5 V9	P5-A7 PolarHBondContact O-N 3.07Å; A7-V9 PolarHBondContact O-N 3.06Å; A7-V9 VanDerWaalsContact O-N 3.11Å
8	P	39.9	Very low	52.1	Low	109 Å²	109	134.3 Å²	134.3	71%	0.708	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.9	177.2	22.6	-30.9	0	0	0	108.4	Y10	P8-Y10 PolarHBondContact O-N 2.77Å
9	V	41.7	Very low	52.9	Low	138 Å²	138	131.4 Å²	131.4	84%	0.836	68%	0.681	S	S	*	*			trans	-59.5	104.7	170.7	178.6	0	0	0	0	106.1	A7 D11	A7-V9 PolarHBondContact O-N 3.06Å; A7-V9 VanDerWaalsContact O-N 3.11Å; V9-D11 PolarHBondContact O-N 2.85Å
10	Y	42.4	Very low	53.4	Low	213 Å²	213	127.6 Å²	127.6	84%	0.835	67%	0.669	S	S	*	*			trans	-58.6	109.8	178.3	-101.7	-95.4	0	0	0	109.4	P8 Q12	P8-Y10 PolarHBondContact O-N 2.77Å; Y10-Q12 PolarHBondContact O-N 3.21Å
11	D	41	Very low	53.7	Low	120 Å²	120	126 Å²	126	64%	0.642	67%	0.67	S	S	*	*			trans	32.7	83.4	140.6	-159	17	0	0	0	115.1	V9 K13	V9-D11 PolarHBondContact O-N 2.85Å; D11-K13 PolarHBondContact O-N 3.32Å
12	Q	43	Very low	53.7	Low	178 Å²	178	122.1 Å²	122.1	83%	0.832	65%	0.652	S	S	*	*			trans	-61	95.6	155.4	-72.5	-173.9	-5.6	0	0	106.9	Y10	Y10-Q12 PolarHBondContact O-N 3.21Å
13	K	49.4	Very low	54.1	Low	176 Å²	176	113.3 Å²	113.3	77%	0.765	62%	0.62	S	S	*	*			trans	-41.9	121.1	172.1	-82.3	-176.7	177.1	179.2	0	108.2	D11 T15	D11-K13 PolarHBondContact O-N 3.32Å; K13-T15 PolarHBondContact O-N 3.34Å
14	P	56.3	Low	54.4	Low	70 Å²	70	111.5 Å²	111.5	46%	0.455	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-54.4	120.4	-173.3	14.6	-28	0	0	0	110	C16 W112	P14-C16 PolarHBondContact O-N 3.35Å; P14-W112 HydrophobicContact CB-CZ2 4.14Å; P14-W112 HydrophobicContact CG-CD2 4.08Å; P14-W112 VanDerWaalsContact CG-CE2 3.44Å; P14-W112 HydrophobicContact CG-CG 4.33Å; P14-W112 HydrophobicContact CG-CZ2 3.75Å; P14-W112 VanDerWaalsContact CG-NE1 3.32Å; P14-W112 VanDerWaalsContact O-CD1 3.26Å
15	T	63.2	Low	55	Low	110 Å²	110	111 Å²	111	68%	0.675	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-67	129.6	175.9	36.6	0	0	0	0	108.3	K13 R17	K13-T15 PolarHBondContact O-N 3.34Å; T15-R17 PolarHBondContact O-N 2.82Å; T15-R17 VanDerWaalsContact O-N 3.12Å
16	C	68.7	Low	55.1	Low	24 Å²	24	106.2 Å²	106.2	16%	0.162	59%	0.591	C	S	.	*	P	Polyproline II helix	trans	-58.5	121	176.1	-174.8	0	0	0	0	109.5	P14 N59 P113 C115	P14-C16 PolarHBondContact O-N 3.35Å; C16-N59 PolarHBondContact SG-ND2 3.41Å; C16-P113 PolarHBondContact SG-O 3.45Å; C16-C115 HydrophobicContact CB-CB 3.37Å; C16-C115 WeakPolarHBondContact CB-SG 3.36Å; C16-C115 WeakPolarHBondContact SG-CB 3.39Å; C16-C115 CovalentContact SG-SG 2.02Å; C16-C115 PolarHBondContact SG-SG 2.91Å
17	R	70.7	Confident	56.2	Low	210 Å²	210	107.2 Å²	107.2	79%	0.792	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-93.7	120.3	170.2	-69.6	-170.4	178.7	-166.7	0.4	108.1	T15 N59	T15-R17 PolarHBondContact O-N 2.82Å; T15-R17 VanDerWaalsContact O-N 3.12Å; R17-N59 PolarHBondContact O-ND2 3.17Å
18	I	67.7	Low	57.1	Low	34 Å²	34	109.2 Å²	109.2	17%	0.174	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-79.7	125.9	166.5	-61.9	168.3	0	0	0	106	A20 A26 Q27 R28 A58 A117	I18-A20 PolarHBondContact O-N 3.24Å; I18-A26 HydrophobicContact CG2-CB 3.8Å; I18-Q27 VanDerWaalsContact CD1-C 3.44Å; I18-R28 HydrophobicContact CD1-CB 4.1Å; I18-R28 VanDerWaalsContact CD1-N 3.33Å; I18-A58 HydrophobicContact CG1-CB 4.06Å; I18-A117 HydrophobicContact CD1-CB 3.63Å; I18-A117 HydrophobicContact CG1-CB 4.25Å
19	D	68	Low	58.1	Low	80 Å²	80	104.8 Å²	104.8	43%	0.428	55%	0.547	S	S	.	.			trans	-72.1	95.6	170.4	-170.7	-9.7	0	0	0	109.3	S21 L22	D19-S21 PolarHBondContact O-N 2.9Å; D19-S21 WeakPolarHBondContact OD1-CB 3.32Å; D19-S21 PolarHBondContact OD1-N 2.61Å; D19-S21 PolarHBondContact OD1-OG 2.94Å; D19-S21 PolarHBondContact OD2-OG 3.23Å; D19-L22 HydrophobicContact CB-CD1 4.24Å; D19-L22 HydrophobicContact CB-CG 4.5Å; D19-L22 PolarHBondContact O-N 3.03Å; D19-L22 VanDerWaalsContact O-N 3.16Å
20	A	62	Low	58.7	Low	54 Å²	54	105.3 Å²	105.3	45%	0.446	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.2	178	0	0	0	0	0	112.8	I18 L22 I23 P24	I18-A20 PolarHBondContact O-N 3.24Å; A20-L22 VanDerWaalsContact C-N 3.26Å; A20-L22 PolarHBondContact O-N 3.24Å; A20-I23 CarbonylContact O-C 3.54Å; A20-I23 VanDerWaalsContact O-C 3.31Å; A20-P24 VanDerWaalsContact O-CA 3.28Å; A20-P24 WeakPolarHBondContact O-CA 3.41Å
21	S	60.4	Low	59	Low	96 Å²	96	100 Å²	100	67%	0.671	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-28.7	173.2	76.1	0	0	0	0	112.3	D19	D19-S21 PolarHBondContact O-N 2.9Å; D19-S21 WeakPolarHBondContact OD1-CB 3.32Å; D19-S21 PolarHBondContact OD1-N 2.61Å; D19-S21 PolarHBondContact OD1-OG 2.94Å; D19-S21 PolarHBondContact OD2-OG 3.23Å
22	L	55.7	Low	59.1	Low	137 Å²	137	103.1 Å²	103.1	72%	0.717	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-32.9	177.4	-66.7	172.4	0	0	0	112.2	D19 A20	D19-L22 HydrophobicContact CB-CD1 4.24Å; D19-L22 HydrophobicContact CB-CG 4.5Å; D19-L22 PolarHBondContact O-N 3.03Å; D19-L22 VanDerWaalsContact O-N 3.16Å; A20-L22 VanDerWaalsContact C-N 3.26Å; A20-L22 PolarHBondContact O-N 3.24Å
23	I	59.8	Low	59	Low	45 Å²	45	97.5 Å²	97.5	23%	0.231	51%	0.505	C	S	.	.			trans	-141.9	92.5	179.9	-48	160	0	0	0	109.1	A20 S25 A26 M119	A20-I23 CarbonylContact O-C 3.54Å; A20-I23 VanDerWaalsContact O-C 3.31Å; I23-S25 PolarHBondContact O-N 3.38Å; I23-S25 VanDerWaalsContact O-N 3.09Å; I23-A26 HydrophobicContact CB-CB 3.69Å; I23-A26 HydrophobicContact CD1-CB 4.39Å; I23-A26 HydrophobicContact CG2-CB 3.6Å; I23-A26 WeakPolarHBondContact O-CB 3.32Å; I23-A26 PolarHBondContact O-N 3.4Å; I23-M119 HydrophobicContact CD1-CE 3.42Å; I23-M119 VanDerWaalsContact CD1-CE 3.42Å; I23-M119 HydrophobicContact CD1-CG 4.26Å; I23-M119 HydrophobicContact CD1-SD 3.57Å; I23-M119 VanDerWaalsContact CD1-SD 3.57Å; I23-M119 HydrophobicContact CG1-CE 4.02Å; I23-M119 HydrophobicContact CG2-CE 4.42Å
24	P	56.5	Low	58.5	Low	120 Å²	120	95 Å²	95	78%	0.779	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.4	-171.7	-27	34.6	0	0	0	114.9	A20	A20-P24 VanDerWaalsContact O-CA 3.28Å; A20-P24 WeakPolarHBondContact O-CA 3.41Å
25	S	63.5	Low	57.5	Low	96 Å²	96	94.6 Å²	94.6	67%	0.671	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.7	-179	62.4	0	0	0	0	114.1	I23 Q27	I23-S25 PolarHBondContact O-N 3.38Å; I23-S25 VanDerWaalsContact O-N 3.09Å; S25-Q27 PolarHBondContact O-N 3.17Å
26	A	59.2	Low	56.5	Low	12 Å²	12	94.4 Å²	94.4	10%	0.099	50%	0.504	C	S	.	.			trans	-76	119.5	-174.7	0	0	0	0	0	111.2	I18 I23 A117	I18-A26 HydrophobicContact CG2-CB 3.8Å; I23-A26 HydrophobicContact CB-CB 3.69Å; I23-A26 HydrophobicContact CD1-CB 4.39Å; I23-A26 HydrophobicContact CG2-CB 3.6Å; I23-A26 WeakPolarHBondContact O-CB 3.32Å; I23-A26 PolarHBondContact O-N 3.4Å; A26-A117 HydrophobicContact CB-CB 4.36Å
27	Q	68.4	Low	55.4	Low	146 Å²	146	96.7 Å²	96.7	68%	0.682	52%	0.52	S	S	*	.			trans	-109.2	155.8	169.2	-65.8	-175.2	-24.9	0	0	109.6	I18 S25 S29 A117 S118	I18-Q27 VanDerWaalsContact CD1-C 3.44Å; S25-Q27 PolarHBondContact O-N 3.17Å; Q27-S29 PolarHBondContact O-N 3.33Å; Q27-A117 CarbonylContact O-C 3.59Å; Q27-A117 WeakPolarHBondContact O-CA 3.31Å; Q27-S118 PolarHBondContact O-N 2.91Å; Q27-S118 PolarHBondContact O-OG 3.25Å
28	R	62.3	Low	54.1	Low	126 Å²	126	89.6 Å²	89.6	48%	0.475	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-63.6	120.7	173.3	-174.3	179.1	179.9	-151.8	0	108.8	I18 F30	I18-R28 HydrophobicContact CD1-CB 4.1Å; I18-R28 VanDerWaalsContact CD1-N 3.33Å; R28-F30 HydrophobicContact CB-CE2 4.26Å; R28-F30 HydrophobicContact CB-CZ 4.49Å; R28-F30 HydrophobicContact CG-CE2 4.28Å; R28-F30 HydrophobicContact CG-CZ 4.19Å; R28-F30 VanDerWaalsContact NH1-CE1 3.34Å; R28-F30 WeakPolarHBondContact O-CD2 3.33Å
29	S	61.2	Low	53.5	Low	16 Å²	16	95.3 Å²	95.3	11%	0.112	54%	0.544	C	S	.	.			trans	-86.1	122.6	177.1	61	0	0	0	0	109.4	Q27 L116	Q27-S29 PolarHBondContact O-N 3.33Å; S29-L116 PolarHBondContact N-O 3.17Å; S29-L116 VanDerWaalsContact N-O 3.09Å; S29-L116 WeakPolarHBondContact OG-CB 3.34Å; S29-L116 PolarHBondContact OG-O 3.09Å
30	F	53.3	Low	53.5	Low	149 Å²	149	92.4 Å²	92.4	65%	0.654	53%	0.528	S	S	*	.			trans	-95.1	6.5	177.3	-66.6	-86.8	0	0	0	113.4	R28	R28-F30 HydrophobicContact CB-CE2 4.26Å; R28-F30 HydrophobicContact CB-CZ 4.49Å; R28-F30 HydrophobicContact CG-CE2 4.28Å; R28-F30 HydrophobicContact CG-CZ 4.19Å; R28-F30 VanDerWaalsContact NH1-CE1 3.34Å; R28-F30 WeakPolarHBondContact O-CD2 3.33Å
31	I	48.6	Very low	54.1	Low	101 Å²	101	96 Å²	96	52%	0.518	54%	0.535	S	S	.	.			trans	-102.2	119.3	-161	-50.6	177.7	0	0	0	111.3	T33 S52	I31-T33 HydrophobicContact CG2-CG2 4.25Å; I31-T33 WeakPolarHBondContact CG2-OG1 3.33Å; I31-S52 PolarHBondContact O-OG 2.84Å
32	Y	43.8	Very low	55.1	Low	185 Å²	185	91.4 Å²	91.4	73%	0.725	50%	0.503	S	S	*	.			trans	-101.9	84.7	157.5	-60	-85.2	0	0	0	107.5
33	T	40.4	Very low	55.9	Low	60 Å²	60	85.7 Å²	85.7	37%	0.368	48%	0.478	S	S	.	.			trans	-97.5	117.5	168.4	8.8	0	0	0	0	108.6	I31 T35 S51	I31-T33 HydrophobicContact CG2-CG2 4.25Å; I31-T33 WeakPolarHBondContact CG2-OG1 3.33Å; T33-T35 HydrophobicContact CG2-CG2 3.76Å; T33-T35 PolarHBondContact O-N 3.42Å; T33-S51 VanDerWaalsContact O-O 3.05Å
34	T	38.2	Very low	56.5	Low	123 Å²	123	85.2 Å²	85.2	76%	0.755	48%	0.475	S	S	*	.			trans	-71.5	63.1	148.9	50.6	0	0	0	0	107.8
35	T	36.4	Very low	57.7	Low	63 Å²	63	80.5 Å²	80.5	39%	0.387	44%	0.443	S	S	.	.			trans	-68.9	137.3	167.8	28.9	0	0	0	0	107.9	T33 S37	T33-T35 HydrophobicContact CG2-CG2 3.76Å; T33-T35 PolarHBondContact O-N 3.42Å; T35-S37 PolarHBondContact O-N 3.23Å
36	S	41.4	Very low	58.6	Low	105 Å²	105	77.1 Å²	77.1	73%	0.734	42%	0.418	S	S	*	.			trans	-37.9	131	176.1	44.3	0	0	0	0	111.7	G38	S36-G38 PolarHBondContact O-N 2.02Å
37	S	46.4	Very low	59.6	Low	72 Å²	72	81.9 Å²	81.9	50%	0.503	44%	0.438	S	S	.	.			trans	-56.1	16.6	176.8	-55	0	0	0	0	115.7	T35 N39 L40	T35-S37 PolarHBondContact O-N 3.23Å; S37-N39 PolarHBondContact O-N 3.15Å; S37-L40 PolarHBondContact O-N 3.44Å
38	G	43.4	Very low	60.6	Low	61 Å²	61	75 Å²	75	63%	0.629	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.6	-162	0	0	0	0	0	116.1	S36	S36-G38 PolarHBondContact O-N 2.02Å
39	N	54.1	Low	61.9	Low	155 Å²	155	69.5 Å²	69.5	83%	0.829	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	5.9	-178.9	-79.7	-32.1	0	0	0	115.5	S37	S37-N39 PolarHBondContact O-N 3.15Å
40	L	68.1	Low	63.3	Low	18 Å²	18	72.9 Å²	72.9	9%	0.094	40%	0.402	C	S	.	.			trans	-83.7	120.9	-179.7	-68.1	173.1	0	0	0	110.8	S37 C42 L46 H53 Y97 V123 F125	S37-L40 PolarHBondContact O-N 3.44Å; L40-C42 PolarHBondContact O-N 3.08Å; L40-L46 HydrophobicContact CB-CD1 3.8Å; L40-L46 HydrophobicContact CB-CD2 4Å; L40-L46 HydrophobicContact CD1-CD2 3.71Å; L40-H53 VanDerWaalsContact CD2-CE1 3.48Å; L40-H53 WeakPolarHBondContact CD2-CE1 3.14Å; L40-H53 VanDerWaalsContact CG-CE1 3.46Å; L40-H53 WeakPolarHBondContact CG-CE1 2.95Å; L40-Y97 HydrophobicContact CD2-CE2 3.91Å; L40-Y97 WeakPolarHBondContact CD2-OH 3.47Å; L40-V123 HydrophobicContact CD1-CG1 4.44Å; L40-V123 HydrophobicContact CD2-CB 4.34Å; L40-V123 HydrophobicContact CD2-CG1 3.99Å; L40-V123 HydrophobicContact CD2-CG2 3.71Å; L40-F125 HydrophobicContact CD1-CE1 4.13Å; L40-F125 HydrophobicContact CD1-CZ 4.4Å; L40-F125 HydrophobicContact CD2-CZ 4.46Å
41	Q	75.4	Confident	64.9	Low	129 Å²	129	66.6 Å²	66.6	60%	0.603	38%	0.377	S	S	*	.			trans	-84.2	46.7	177.1	-62.6	-177.3	-20.1	0	0	112.1	Y97	Q41-Y97 HydrophobicContact CB-CE1 4.37Å; Q41-Y97 PolarHBondContact N-OH 3.16Å
42	C	80.5	Confident	66.7	Low	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.355	C	S	.	.			trans	-106.1	6.7	179.8	-39.7	0	0	0	0	113.4	L40 M45 L46 C71 E72 L75 Y97 F125	L40-C42 PolarHBondContact O-N 3.08Å; C42-M45 PolarHBondContact O-N 2.74Å; C42-L46 HydrophobicContact CB-CD1 4.48Å; C42-L46 HydrophobicContact CB-CD2 3.7Å; C42-L46 HydrophobicContact CB-CG 3.83Å; C42-C71 HydrophobicContact CB-CB 3.78Å; C42-C71 WeakPolarHBondContact CB-SG 3.45Å; C42-C71 WeakPolarHBondContact SG-CB 3.3Å; C42-C71 CovalentContact SG-SG 2.03Å; C42-C71 PolarHBondContact SG-SG 3.13Å; C42-E72 WeakPolarHBondContact O-CB 3.42Å; C42-E72 WeakPolarHBondContact O-CG 3.45Å; C42-L75 HydrophobicContact CB-CD1 3.72Å; C42-Y97 PolarHBondContact SG-OH 2.79Å; C42-F125 WeakPolarHBondContact SG-CZ 3.13Å
43	G	74.1	Confident	68.7	Low	18 Å²	18	56.1 Å²	56.1	19%	0.186	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	57	-145	175.9	0	0	0	0	0	113.5	M45 L46	G43-M45 PolarHBondContact O-N 3.17Å; G43-M45 VanDerWaalsContact O-N 3.14Å; G43-L46 PolarHBondContact O-N 3.39Å
44	N	71.4	Confident	70.8	Confident	34 Å²	34	56.8 Å²	56.8	18%	0.182	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-65.7	-19.5	-175.2	-60.1	10.1	0	0	0	112.8	L46 Q47 A134 G192	N44-L46 PolarHBondContact O-N 2.7Å; N44-Q47 VanDerWaalsContact O-CG 3.26Å; N44-Q47 WeakPolarHBondContact O-CG 3.12Å; N44-Q47 PolarHBondContact O-N 3.07Å; N44-A134 HydrophobicContact CB-CB 3.89Å; N44-A134 WeakPolarHBondContact ND2-CB 3.09Å; N44-G192 WeakPolarHBondContact OD1-CA 3.24Å; N44-G192 PolarHBondContact OD1-N 3.33Å
45	M	81.3	Confident	73.2	Confident	21 Å²	21	51.1 Å²	51.1	10%	0.103	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.9	-23.9	-179.5	-63.5	-58.3	-60.3	0	0	111.7	C42 G43 Q47 C48 F49 E72 L75 K76 E79	C42-M45 PolarHBondContact O-N 2.74Å; G43-M45 PolarHBondContact O-N 3.17Å; G43-M45 VanDerWaalsContact O-N 3.14Å; M45-Q47 PolarHBondContact O-N 2.77Å; M45-Q47 VanDerWaalsContact O-N 3.08Å; M45-C48 WeakPolarHBondContact O-CA 3.29Å; M45-C48 WeakPolarHBondContact O-CB 3.42Å; M45-C48 PolarHBondContact O-N 2.71Å; M45-F49 HydrophobicContact CE-CE2 3.93Å; M45-F49 VanDerWaalsContact O-CD2 3.29Å; M45-F49 WeakPolarHBondContact O-CD2 3.26Å; M45-E72 HydrophobicContact CG-CG 3.8Å; M45-L75 HydrophobicContact CB-CB 3.66Å; M45-L75 HydrophobicContact CB-CD1 3.72Å; M45-L75 HydrophobicContact CB-CG 4.32Å; M45-L75 HydrophobicContact CE-CB 4.23Å; M45-L75 HydrophobicContact CG-CB 4.06Å; M45-K76 HydrophobicContact CE-CG 4.09Å; M45-K76 HydrophobicContact CG-CG 3.86Å; M45-K76 HydrophobicContact SD-CG 3.59Å; M45-K76 VanDerWaalsContact SD-CG 3.59Å; M45-E79 HydrophobicContact CE-CB 4.05Å; M45-E79 HydrophobicContact CE-CG 3.4Å
46	L	82.1	Confident	75.8	Confident	25 Å²	25	48.3 Å²	48.3	13%	0.131	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.3	-32.7	179.2	-71.5	174.7	0	0	0	113.5	L40 C42 G43 N44 C48 F49 F125	L40-L46 HydrophobicContact CB-CD1 3.8Å; L40-L46 HydrophobicContact CB-CD2 4Å; L40-L46 HydrophobicContact CD1-CD2 3.71Å; C42-L46 HydrophobicContact CB-CD1 4.48Å; C42-L46 HydrophobicContact CB-CD2 3.7Å; C42-L46 HydrophobicContact CB-CG 3.83Å; G43-L46 PolarHBondContact O-N 3.39Å; N44-L46 PolarHBondContact O-N 2.7Å; L46-C48 PolarHBondContact O-N 2.74Å; L46-F49 PolarHBondContact O-N 2.93Å; L46-F49 VanDerWaalsContact O-N 3.13Å; L46-F125 HydrophobicContact CD2-CE1 3.71Å
47	Q	81.7	Confident	78.1	Confident	113 Å²	113	44 Å²	44	53%	0.528	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-65.4	-23.6	177.7	78.9	-167	-3.8	0	0	113.1	N44 M45 F49 V132	N44-Q47 VanDerWaalsContact O-CG 3.26Å; N44-Q47 WeakPolarHBondContact O-CG 3.12Å; N44-Q47 PolarHBondContact O-N 3.07Å; M45-Q47 PolarHBondContact O-N 2.77Å; M45-Q47 VanDerWaalsContact O-N 3.08Å; Q47-F49 VanDerWaalsContact C-N 3.33Å; Q47-V132 PolarHBondContact NE2-O 2.8Å
48	C	88.4	Confident	80	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-86	-5.2	179.1	-61	0	0	0	0	112.6	M45 L46 P127 T128 C131	M45-C48 WeakPolarHBondContact O-CA 3.29Å; M45-C48 WeakPolarHBondContact O-CB 3.42Å; M45-C48 PolarHBondContact O-N 2.71Å; L46-C48 PolarHBondContact O-N 2.74Å; C48-P127 CarbonylContact O-C 3.51Å; C48-P127 WeakPolarHBondContact O-CA 3.38Å; C48-T128 PolarHBondContact O-N 2.96Å; C48-T128 PolarHBondContact O-OG1 3.02Å; C48-C131 HydrophobicContact CB-CB 3.63Å; C48-C131 WeakPolarHBondContact CB-SG 3.42Å; C48-C131 WeakPolarHBondContact SG-CA 3.4Å; C48-C131 WeakPolarHBondContact SG-CB 3.31Å; C48-C131 CovalentContact SG-SG 2.05Å; C48-C131 PolarHBondContact SG-SG 3.08Å
49	F	90.7	Very high	82.1	Confident	9 Å²	9	41.9 Å²	41.9	4%	0.039	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.5	-173.4	-65.8	-101.9	0	0	0	112.5	M45 L46 Q47 L75 C78 E79 V93 F125 R126 P127	M45-F49 HydrophobicContact CE-CE2 3.93Å; M45-F49 VanDerWaalsContact O-CD2 3.29Å; M45-F49 WeakPolarHBondContact O-CD2 3.26Å; L46-F49 PolarHBondContact O-N 2.93Å; L46-F49 VanDerWaalsContact O-N 3.13Å; Q47-F49 VanDerWaalsContact C-N 3.33Å; F49-L75 HydrophobicContact CD1-CD2 4.01Å; F49-L75 HydrophobicContact CD2-CB 4.29Å; F49-L75 HydrophobicContact CD2-CD1 3.9Å; F49-L75 HydrophobicContact CD2-CD2 4.22Å; F49-L75 HydrophobicContact CD2-CG 4.36Å; F49-L75 HydrophobicContact CE1-CD2 3.9Å; F49-L75 HydrophobicContact CE2-CB 3.75Å; F49-L75 HydrophobicContact CE2-CD1 4.23Å; F49-L75 HydrophobicContact CE2-CD2 4.16Å; F49-L75 HydrophobicContact CE2-CG 4.25Å; F49-L75 HydrophobicContact CG-CD1 4.29Å; F49-L75 HydrophobicContact CG-CD2 4.17Å; F49-L75 HydrophobicContact CZ-CB 4.01Å; F49-L75 HydrophobicContact CZ-CD2 3.99Å; F49-L75 HydrophobicContact CZ-CG 4.48Å; F49-C78 HydrophobicContact CE1-CB 4.34Å; F49-C78 HydrophobicContact CZ-CB 4.17Å; F49-E79 HydrophobicContact CE2-CG 3.8Å; F49-E79 WeakPolarHBondContact CE2-OE1 3.29Å; F49-E79 HydrophobicContact CZ-CG 3.81Å; F49-E79 VanDerWaalsContact CZ-OE1 3.22Å; F49-E79 WeakPolarHBondContact CZ-OE1 3.47Å; F49-V93 HydrophobicContact CE1-CG2 4.35Å; F49-F125 HydrophobicContact CB-CB 4.09Å; F49-F125 HydrophobicContact CB-CD1 4.04Å; F49-F125 HydrophobicContact CD1-CB 3.71Å; F49-F125 HydrophobicContact CG-CB 4.18Å; F49-R126 CarbonylContact C-O 3.54Å; F49-R126 VanDerWaalsContact CA-O 3.26Å; F49-R126 WeakPolarHBondContact CA-O 3.31Å; F49-P127 HydrophobicContact CD1-CB 4.4Å; F49-P127 HydrophobicContact CD1-CG 4.05Å; F49-P127 HydrophobicContact CE1-CB 4.23Å; F49-P127 HydrophobicContact CE1-CG 3.62Å; F49-P127 HydrophobicContact CZ-CG 4.36Å
50	N	89.3	Confident	83.6	Confident	87 Å²	87	35.5 Å²	35.5	47%	0.465	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.7	158.1	-70.7	-29	0	0	0	108.7	F125 R126	N50-F125 CarbonylContact O-C 3.31Å; N50-F125 VanDerWaalsContact O-CA 3.28Å; N50-F125 WeakPolarHBondContact O-CA 3.29Å; N50-R126 PolarHBondContact N-O 2.84Å; N50-R126 PolarHBondContact O-N 3.32Å
51	S	88	Confident	84.7	Confident	18 Å²	18	38.7 Å²	38.7	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.4	179.9	57.6	0	0	0	0	112.3	T33 Y124	T33-S51 VanDerWaalsContact O-O 3.05Å; S51-Y124 CarbonylContact C-O 3.46Å; S51-Y124 VanDerWaalsContact CA-O 3.28Å; S51-Y124 WeakPolarHBondContact CA-O 3.1Å
52	S	86.7	Confident	85.7	Confident	7 Å²	7	34.3 Å²	34.3	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.9	166.7	-167.6	0	0	0	0	109.7	I31 T55 V123 Y124	I31-S52 PolarHBondContact O-OG 2.84Å; S52-T55 PolarHBondContact OG-OG1 2.79Å; S52-V123 WeakPolarHBondContact O-CA 3.47Å; S52-Y124 PolarHBondContact N-O 2.84Å; S52-Y124 PolarHBondContact O-N 2.8Å
53	H	85	Confident	86.4	Confident	59 Å²	59	36.8 Å²	36.8	27%	0.273	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	155.4	-176.5	-68.5	-106.2	0	0	0	111.9	L40 T55	L40-H53 VanDerWaalsContact CD2-CE1 3.48Å; L40-H53 WeakPolarHBondContact CD2-CE1 3.14Å; L40-H53 VanDerWaalsContact CG-CE1 3.46Å; L40-H53 WeakPolarHBondContact CG-CE1 2.95Å; H53-T55 PolarHBondContact O-N 2.83Å; H53-T55 VanDerWaalsContact O-N 3.15Å; H53-T55 PolarHBondContact O-OG1 3.33Å
54	N	84.4	Confident	87.4	Confident	73 Å²	73	37.7 Å²	37.7	39%	0.39	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.4	40.6	-178.3	-61.4	-40.5	0	0	0	112.3	S118 M119 G121 Y122	N54-S118 CarbonylContact O-C 3.53Å; N54-S118 VanDerWaalsContact O-CA 3.3Å; N54-S118 WeakPolarHBondContact O-CA 3.09Å; N54-M119 CarbonylContact C-O 3.56Å; N54-M119 WeakPolarHBondContact CA-O 3.43Å; N54-M119 PolarHBondContact O-N 2.03Å; N54-G121 PolarHBondContact OD1-N 2.86Å; N54-Y122 WeakPolarHBondContact CA-O 3.35Å; N54-Y122 PolarHBondContact N-O 2.57Å
55	T	87.7	Confident	88.6	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138	-170.2	-60.8	0	0	0	0	110.2	S52 H53 L116 A117 Y122 V123 Y124	S52-T55 PolarHBondContact OG-OG1 2.79Å; H53-T55 PolarHBondContact O-N 2.83Å; H53-T55 VanDerWaalsContact O-N 3.15Å; H53-T55 PolarHBondContact O-OG1 3.33Å; T55-L116 HydrophobicContact CG2-CB 3.8Å; T55-L116 HydrophobicContact CG2-CD1 4.21Å; T55-L116 HydrophobicContact CG2-CD2 3.97Å; T55-L116 HydrophobicContact CG2-CG 4.21Å; T55-A117 WeakPolarHBondContact CA-O 3.06Å; T55-Y122 PolarHBondContact N-O 3.34Å; T55-V123 CarbonylContact O-C 3.58Å; T55-Y124 PolarHBondContact O-N 2.86Å; T55-Y124 VanDerWaalsContact O-N 3.16Å
56	A	91.1	Very high	89.2	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.033	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	175.1	175.3	0	0	0	0	0	111.2	V94 L116 A117 M119 Y122	A56-V94 HydrophobicContact CB-CG1 3.78Å; A56-V94 HydrophobicContact CB-CG2 4.31Å; A56-L116 CarbonylContact O-C 3.53Å; A56-L116 WeakPolarHBondContact O-CA 3.21Å; A56-A117 PolarHBondContact N-O 2.93Å; A56-A117 PolarHBondContact O-N 2.92Å; A56-M119 HydrophobicContact CB-CB 4.08Å; A56-M119 HydrophobicContact CB-CG 3.97Å; A56-M119 HydrophobicContact CB-SD 3.39Å; A56-M119 WeakPolarHBondContact CB-SD 3.46Å; A56-Y122 HydrophobicContact CB-CD1 4.45Å; A56-Y122 HydrophobicContact CB-CG 4.44Å
57	I	90.5	Very high	89.6	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.4	176.1	-59.9	176.7	0	0	0	109.7	S92 V94 Y105 Q114 C115 L116 Y124	I57-S92 VanDerWaalsContact CD1-OG 3.26Å; I57-S92 WeakPolarHBondContact CD1-OG 3.46Å; I57-V94 HydrophobicContact CB-CG2 4.45Å; I57-V94 HydrophobicContact CD1-CG2 4.35Å; I57-V94 HydrophobicContact CG1-CG2 3.95Å; I57-Y105 HydrophobicContact CB-CE1 4.32Å; I57-Y105 HydrophobicContact CD1-CD1 3.92Å; I57-Y105 HydrophobicContact CD1-CD2 3.68Å; I57-Y105 HydrophobicContact CD1-CE1 4.23Å; I57-Y105 HydrophobicContact CD1-CE2 4.02Å; I57-Y105 HydrophobicContact CD1-CG 3.61Å; I57-Y105 HydrophobicContact CG2-CE1 4.47Å; I57-Q114 HydrophobicContact CG2-CB 3.92Å; I57-Q114 HydrophobicContact CG2-CG 3.97Å; I57-C115 CarbonylContact C-O 3.53Å; I57-C115 WeakPolarHBondContact CA-O 3.09Å; I57-L116 HydrophobicContact CG1-CD2 4.22Å; I57-Y124 HydrophobicContact CD1-CD2 4.23Å; I57-Y124 HydrophobicContact CD1-CE2 3.79Å; I57-Y124 HydrophobicContact CG1-CD2 3.89Å; I57-Y124 HydrophobicContact CG1-CE2 3.79Å
58	A	87.1	Confident	89.8	Confident	12 Å²	12	53 Å²	53	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	153.1	164.3	0	0	0	0	0	110.7	I18 G60 Q114 C115 A117	I18-A58 HydrophobicContact CG1-CB 4.06Å; A58-G60 PolarHBondContact O-N 3.2Å; A58-G60 VanDerWaalsContact O-N 3.16Å; A58-Q114 WeakPolarHBondContact O-CA 3.14Å; A58-C115 PolarHBondContact N-O 2.87Å; A58-C115 PolarHBondContact O-N 2.89Å; A58-A117 HydrophobicContact CB-CB 4.02Å
59	N	87.4	Confident	89.4	Confident	77 Å²	77	54.2 Å²	54.2	41%	0.412	29%	0.287	S	S	.	.	S	Bend	trans	57.7	23.6	179.1	-53.6	-28.4	0	0	0	114.7	C16 R17 P113 Q114	C16-N59 PolarHBondContact SG-ND2 3.41Å; R17-N59 PolarHBondContact O-ND2 3.17Å; N59-P113 WeakPolarHBondContact CB-O 2.91Å; N59-P113 PolarHBondContact ND2-O 3.08Å; N59-Q114 WeakPolarHBondContact O-CG 3.47Å; N59-Q114 PolarHBondContact O-NE2 3.23Å
60	G	85.7	Confident	89.2	Confident	21 Å²	21	56.1 Å²	56.1	22%	0.216	30%	0.301	C	S	.	.			trans	-126.3	135.6	175.4	0	0	0	0	0	110.3	A58	A58-G60 PolarHBondContact O-N 3.2Å; A58-G60 VanDerWaalsContact O-N 3.16Å
61	A	91.1	Very high	89.2	Confident	85 Å²	85	52 Å²	52	70%	0.702	28%	0.279	S	S	*	.			trans	-97.3	132.9	167	0	0	0	0	0	108.9
62	P	95.8	Very high	89.2	Confident	37 Å²	37	52.6 Å²	52.6	24%	0.24	28%	0.28	C	S	.	.			trans	-65.4	139.4	171.3	27.7	-32.2	0	0	0	109.3	D103 L104 Y105	P62-D103 HydrophobicContact CB-CB 3.85Å; P62-D103 HydrophobicContact CG-CB 4.17Å; P62-L104 CarbonylContact C-O 3.59Å; P62-L104 WeakPolarHBondContact CA-O 3.33Å; P62-L104 WeakPolarHBondContact CB-O 2.95Å; P62-Y105 HydrophobicContact CB-CD1 4.38Å; P62-Y105 HydrophobicContact CB-CE1 4.05Å; P62-Y105 HydrophobicContact CB-CE2 4.24Å; P62-Y105 HydrophobicContact CG-CE1 4.5Å; P62-Y105 VanDerWaalsContact N-CE1 3.33Å
63	F	94.6	Very high	89.3	Confident	52 Å²	52	56.7 Å²	56.7	23%	0.228	30%	0.298	C	S	.	.	S	Bend	trans	-76.4	-18.4	172.7	70.3	-97	0	0	0	111.4	K81 Y88 C90 L104 Y105	F63-K81 HydrophobicContact CE2-CD 4.17Å; F63-K81 HydrophobicContact CZ-CD 4.32Å; F63-Y88 HydrophobicContact CB-CD1 4.11Å; F63-Y88 HydrophobicContact CB-CD2 4.23Å; F63-Y88 HydrophobicContact CB-CG 3.94Å; F63-Y88 HydrophobicContact CD2-CD2 4.42Å; F63-Y88 HydrophobicContact CD2-CG 4.19Å; F63-Y88 HydrophobicContact CG-CD1 4.45Å; F63-Y88 HydrophobicContact CG-CD2 4.48Å; F63-Y88 AromaticContact CG-CG 3.99Å; F63-Y88 HydrophobicContact CG-CG 3.99Å; F63-C90 HydrophobicContact CZ-CB 4.29Å; F63-L104 HydrophobicContact CD1-CB 4.45Å; F63-L104 WeakPolarHBondContact CD1-O 3.28Å; F63-L104 HydrophobicContact CE1-CB 3.75Å; F63-L104 WeakPolarHBondContact CE1-O 3.28Å; F63-L104 HydrophobicContact CE2-CB 4.16Å; F63-L104 HydrophobicContact CZ-CB 3.58Å; F63-L104 HydrophobicContact CZ-CD1 4.34Å; F63-L104 PolarHBondContact N-O 2.87Å; F63-Y105 VanDerWaalsContact CE1-C 3.43Å
64	E	95.5	Very high	89.8	Confident	37 Å²	37	53.9 Å²	53.9	17%	0.173	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	130.2	175.5	-177.1	170.2	158	0	0	109.6	R66 K81 L104	E64-R66 HydrophobicContact CG-CG 4.5Å; E64-R66 IonicContact OE1-CZ 3.46Å; E64-R66 VanDerWaalsContact OE1-CZ 3.22Å; E64-R66 IonicContact OE1-NE 3.15Å; E64-R66 PolarHBondContact OE1-NE 3.19Å; E64-R66 IonicContact OE1-NH2 3.94Å; E64-R66 PolarHBondContact OE1-NH2 3.37Å; E64-K81 IonicContact OE1-NZ 2.68Å; E64-K81 WeakPolarHBondContact OE2-CE 3.31Å; E64-K81 IonicContact OE2-NZ 3.99Å; E64-K81 PolarHBondContact OE2-NZ 3.37Å; E64-L104 HydrophobicContact CB-CB 4.32Å; E64-L104 HydrophobicContact CB-CD1 4.26Å; E64-L104 HydrophobicContact CG-CD1 4.37Å; E64-L104 PolarHBondContact O-N 2.96Å
65	R	96.8	Very high	90.2	Very high	154 Å²	154	50.4 Å²	50.4	58%	0.581	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.5	172.9	171.1	170.2	-76.4	173.1	-1.6	109	V101 C102 D103	R65-V101 HydrophobicContact CG-CG1 3.73Å; R65-C102 CarbonylContact C-O 3.52Å; R65-C102 VanDerWaalsContact CA-O 3.3Å; R65-C102 WeakPolarHBondContact CA-O 3.42Å; R65-D103 WeakPolarHBondContact CB-OD1 3.44Å; R65-D103 VanDerWaalsContact CG-OD1 3.3Å; R65-D103 WeakPolarHBondContact CG-OD1 3.45Å; R65-D103 IonicContact CZ-OD1 3.53Å; R65-D103 IonicContact CZ-OD2 3.12Å; R65-D103 IonicContact NE-OD1 3.84Å; R65-D103 PolarHBondContact NE-OD1 3.26Å; R65-D103 IonicContact NE-OD2 3.22Å; R65-D103 IonicContact NH2-OD1 2.59Å; R65-D103 PolarHBondContact NH2-OD1 3.11Å; R65-D103 IonicContact NH2-OD2 2.68Å; R65-D103 PolarHBondContact NH2-OD2 3.15Å
66	R	93	Very high	90.4	Very high	109 Å²	109	55.2 Å²	55.2	41%	0.411	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.4	171	-63.3	-173.4	-178.3	-136.6	-2.4	109.8	E64 I69 V101 C102	E64-R66 HydrophobicContact CG-CG 4.5Å; E64-R66 IonicContact OE1-CZ 3.46Å; E64-R66 VanDerWaalsContact OE1-CZ 3.22Å; E64-R66 IonicContact OE1-NE 3.15Å; E64-R66 PolarHBondContact OE1-NE 3.19Å; E64-R66 IonicContact OE1-NH2 3.94Å; E64-R66 PolarHBondContact OE1-NH2 3.37Å; R66-I69 HydrophobicContact CB-CD1 3.73Å; R66-I69 HydrophobicContact CB-CG1 4.14Å; R66-V101 CarbonylContact O-C 3.57Å; R66-V101 WeakPolarHBondContact O-CA 3.42Å; R66-C102 HydrophobicContact CB-CB 4.36Å; R66-C102 PolarHBondContact N-O 3.29Å; R66-C102 PolarHBondContact O-N 3.09Å
67	S	91.5	Very high	90.5	Very high	71 Å²	71	56.7 Å²	56.7	50%	0.497	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	160	176.2	-61.4	0	0	0	0	109.7	I69 N100	S67-I69 VanDerWaalsContact C-N 3.26Å; S67-I69 PolarHBondContact O-N 3.21Å; S67-N100 CarbonylContact C-O 3.59Å
68	E	85	Confident	90.7	Very high	181 Å²	181	56 Å²	56	85%	0.846	29%	0.291	S	S	*	.	S	Bend	trans	61.8	30.4	175.1	-54.1	178	-177.6	0	0	114	N100	E68-N100 PolarHBondContact N-O 3.19Å
69	I	81.4	Confident	90.9	Very high	28 Å²	28	57.6 Å²	57.6	14%	0.144	30%	0.296	C	S	.	.			trans	-118.6	153	174.3	65	164.3	0	0	0	110.7	R66 S67 Q73 C74 I77 Y95 C102	R66-I69 HydrophobicContact CB-CD1 3.73Å; R66-I69 HydrophobicContact CB-CG1 4.14Å; S67-I69 VanDerWaalsContact C-N 3.26Å; S67-I69 PolarHBondContact O-N 3.21Å; I69-Q73 HydrophobicContact CB-CB 4.34Å; I69-C74 HydrophobicContact CD1-CB 4.06Å; I69-I77 HydrophobicContact CD1-CD1 3.81Å; I69-Y95 WeakPolarHBondContact O-CE2 3.34Å; I69-Y95 PolarHBondContact O-OH 2.94Å; I69-C102 HydrophobicContact CD1-CB 3.56Å; I69-C102 HydrophobicContact CG1-CB 3.86Å
70	S	85.2	Confident	90.9	Very high	48 Å²	48	56 Å²	56	34%	0.336	30%	0.297	S	S	.	.			trans	-74.1	160.6	178.3	76.2	0	0	0	0	112.4	E72 Q73 C74	S70-E72 VanDerWaalsContact C-N 3.27Å; S70-E72 PolarHBondContact O-N 3.15Å; S70-Q73 PolarHBondContact O-N 3Å; S70-Q73 WeakPolarHBondContact OG-CG 3.3Å; S70-Q73 PolarHBondContact OG-N 3.32Å; S70-C74 WeakPolarHBondContact O-CB 3.18Å; S70-C74 PolarHBondContact O-N 3.13Å
71	C	88.9	Confident	91.2	Very high	2 Å²	2	57 Å²	57	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-41.4	175.1	-176.2	0	0	0	0	111.7	C42 Q73 C74 L75 Y95 Y97	C42-C71 HydrophobicContact CB-CB 3.78Å; C42-C71 WeakPolarHBondContact CB-SG 3.45Å; C42-C71 WeakPolarHBondContact SG-CB 3.3Å; C42-C71 CovalentContact SG-SG 2.03Å; C42-C71 PolarHBondContact SG-SG 3.13Å; C71-Q73 PolarHBondContact O-N 2.85Å; C71-C74 WeakPolarHBondContact O-CB 3.41Å; C71-C74 PolarHBondContact O-N 3.03Å; C71-L75 WeakPolarHBondContact O-CG 3.25Å; C71-L75 PolarHBondContact O-N 2.96Å; C71-Y95 HydrophobicContact CB-CD1 3.93Å; C71-Y95 HydrophobicContact CB-CD2 4.3Å; C71-Y95 HydrophobicContact CB-CE1 3.86Å; C71-Y95 HydrophobicContact CB-CE2 4.22Å; C71-Y95 HydrophobicContact CB-CG 4.15Å; C71-Y95 PolarHBondContact N-OH 3.39Å; C71-Y97 HydrophobicContact CB-CE1 4.43Å
72	E	88.1	Confident	91	Very high	30 Å²	30	56.6 Å²	56.6	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-44.1	178.2	-172.5	179	168.6	0	0	112.2	C42 M45 S70 C74 L75 K76 A190	C42-E72 WeakPolarHBondContact O-CB 3.42Å; C42-E72 WeakPolarHBondContact O-CG 3.45Å; M45-E72 HydrophobicContact CG-CG 3.8Å; S70-E72 VanDerWaalsContact C-N 3.27Å; S70-E72 PolarHBondContact O-N 3.15Å; E72-C74 VanDerWaalsContact C-N 3.31Å; E72-C74 PolarHBondContact O-N 3.1Å; E72-L75 PolarHBondContact O-N 2.83Å; E72-K76 HydrophobicContact CG-CD 4.43Å; E72-K76 WeakPolarHBondContact O-CG 3.34Å; E72-K76 PolarHBondContact O-N 3.45Å; E72-K76 WeakPolarHBondContact OE1-CE 3.38Å; E72-K76 IonicContact OE1-NZ 2.83Å; E72-K76 PolarHBondContact OE1-NZ 3.48Å; E72-A190 WeakPolarHBondContact OE2-CB 3.42Å
73	Q	89	Confident	90.1	Very high	92 Å²	92	57.4 Å²	57.4	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-43	175.6	-73	169.4	-21.7	0	0	110.9	I69 S70 C71 L75 K76 I77	I69-Q73 HydrophobicContact CB-CB 4.34Å; S70-Q73 PolarHBondContact O-N 3Å; S70-Q73 WeakPolarHBondContact OG-CG 3.3Å; S70-Q73 PolarHBondContact OG-N 3.32Å; C71-Q73 PolarHBondContact O-N 2.85Å; Q73-L75 PolarHBondContact O-N 3Å; Q73-K76 PolarHBondContact O-N 3.33Å; Q73-I77 WeakPolarHBondContact O-CD1 3.45Å; Q73-I77 VanDerWaalsContact O-CG1 3.24Å; Q73-I77 WeakPolarHBondContact O-CG1 3.47Å; Q73-I77 PolarHBondContact O-N 2.92Å
74	C	95	Very high	88.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.5	-49.4	176.5	-179.2	0	0	0	0	112.2	I69 S70 C71 E72 K76 I77 C78 V93 Y95 C102	I69-C74 HydrophobicContact CD1-CB 4.06Å; S70-C74 WeakPolarHBondContact O-CB 3.18Å; S70-C74 PolarHBondContact O-N 3.13Å; C71-C74 WeakPolarHBondContact O-CB 3.41Å; C71-C74 PolarHBondContact O-N 3.03Å; E72-C74 VanDerWaalsContact C-N 3.31Å; E72-C74 PolarHBondContact O-N 3.1Å; C74-K76 PolarHBondContact O-N 3.38Å; C74-I77 PolarHBondContact O-N 3.01Å; C74-C78 PolarHBondContact O-N 3.34Å; C74-C78 VanDerWaalsContact O-N 3.1Å; C74-V93 WeakPolarHBondContact SG-CG1 3.45Å; C74-Y95 HydrophobicContact CB-CD2 3.91Å; C74-Y95 HydrophobicContact CB-CE2 4.28Å; C74-C102 WeakPolarHBondContact CA-SG 3.35Å; C74-C102 HydrophobicContact CB-CB 3.56Å; C74-C102 WeakPolarHBondContact CB-SG 3.38Å; C74-C102 VanDerWaalsContact SG-CA 3.6Å; C74-C102 WeakPolarHBondContact SG-CB 3.06Å; C74-C102 CovalentContact SG-SG 2.01Å; C74-C102 PolarHBondContact SG-SG 2.7Å
75	L	94	Very high	87.4	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-65.8	-38	178.7	-63.5	-172.5	0	0	0	112.5	C42 M45 F49 C71 E72 Q73 I77 C78 E79 V93 F125	C42-L75 HydrophobicContact CB-CD1 3.72Å; M45-L75 HydrophobicContact CB-CB 3.66Å; M45-L75 HydrophobicContact CB-CD1 3.72Å; M45-L75 HydrophobicContact CB-CG 4.32Å; M45-L75 HydrophobicContact CE-CB 4.23Å; M45-L75 HydrophobicContact CG-CB 4.06Å; F49-L75 HydrophobicContact CD1-CD2 4.01Å; F49-L75 HydrophobicContact CD2-CB 4.29Å; F49-L75 HydrophobicContact CD2-CD1 3.9Å; F49-L75 HydrophobicContact CD2-CD2 4.22Å; F49-L75 HydrophobicContact CD2-CG 4.36Å; F49-L75 HydrophobicContact CE1-CD2 3.9Å; F49-L75 HydrophobicContact CE2-CB 3.75Å; F49-L75 HydrophobicContact CE2-CD1 4.23Å; F49-L75 HydrophobicContact CE2-CD2 4.16Å; F49-L75 HydrophobicContact CE2-CG 4.25Å; F49-L75 HydrophobicContact CG-CD1 4.29Å; F49-L75 HydrophobicContact CG-CD2 4.17Å; F49-L75 HydrophobicContact CZ-CB 4.01Å; F49-L75 HydrophobicContact CZ-CD2 3.99Å; F49-L75 HydrophobicContact CZ-CG 4.48Å; C71-L75 WeakPolarHBondContact O-CG 3.25Å; C71-L75 PolarHBondContact O-N 2.96Å; E72-L75 PolarHBondContact O-N 2.83Å; Q73-L75 PolarHBondContact O-N 3Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.09Å; L75-C78 WeakPolarHBondContact O-CB 3.42Å; L75-C78 PolarHBondContact O-N 3.02Å; L75-E79 PolarHBondContact O-N 2.89Å; L75-V93 HydrophobicContact CD2-CB 4.31Å; L75-V93 HydrophobicContact CD2-CG1 4.27Å; L75-V93 HydrophobicContact CD2-CG2 4.27Å; L75-F125 HydrophobicContact CD1-CD1 4.18Å; L75-F125 HydrophobicContact CD1-CE1 4.23Å; L75-F125 HydrophobicContact CD2-CB 3.89Å; L75-F125 HydrophobicContact CD2-CD1 4.19Å; L75-F125 HydrophobicContact CD2-CD2 3.89Å; L75-F125 HydrophobicContact CD2-CE2 4.46Å; L75-F125 HydrophobicContact CD2-CG 3.73Å
76	K	91.9	Very high	86.1	Confident	106 Å²	106	62.1 Å²	62.1	46%	0.461	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-40.6	173.8	-76.8	175.2	-176.4	165.6	0	112.2	M45 E72 Q73 C74 C78 E79 G80	M45-K76 HydrophobicContact CE-CG 4.09Å; M45-K76 HydrophobicContact CG-CG 3.86Å; M45-K76 HydrophobicContact SD-CG 3.59Å; M45-K76 VanDerWaalsContact SD-CG 3.59Å; E72-K76 HydrophobicContact CG-CD 4.43Å; E72-K76 WeakPolarHBondContact O-CG 3.34Å; E72-K76 PolarHBondContact O-N 3.45Å; E72-K76 WeakPolarHBondContact OE1-CE 3.38Å; E72-K76 IonicContact OE1-NZ 2.83Å; E72-K76 PolarHBondContact OE1-NZ 3.48Å; Q73-K76 PolarHBondContact O-N 3.33Å; C74-K76 PolarHBondContact O-N 3.38Å; K76-C78 VanDerWaalsContact C-N 3.34Å; K76-E79 PolarHBondContact O-N 2.93Å; K76-G80 PolarHBondContact O-N 2.94Å
77	I	92.5	Very high	85.4	Confident	35 Å²	35	67.5 Å²	67.5	18%	0.179	37%	0.366	C	S	.	.	H	α-helix	trans	-66.2	-40.5	177.7	-63.6	162.5	0	0	0	110.4	I69 Q73 C74 L75 G80 K81 L104	I69-I77 HydrophobicContact CD1-CD1 3.81Å; Q73-I77 WeakPolarHBondContact O-CD1 3.45Å; Q73-I77 VanDerWaalsContact O-CG1 3.24Å; Q73-I77 WeakPolarHBondContact O-CG1 3.47Å; Q73-I77 PolarHBondContact O-N 2.92Å; C74-I77 PolarHBondContact O-N 3.01Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.09Å; I77-G80 PolarHBondContact O-N 3.25Å; I77-K81 HydrophobicContact CG2-CD 4.05Å; I77-K81 WeakPolarHBondContact O-CG 3.22Å; I77-K81 PolarHBondContact O-N 3.12Å; I77-L104 HydrophobicContact CB-CD1 4.47Å; I77-L104 HydrophobicContact CG2-CD1 3.63Å
78	C	94.7	Very high	85.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-50.5	174.6	-175.8	0	0	0	0	111.8	F49 C74 L75 K76 G80 K81 R82 C90 V93 L104	F49-C78 HydrophobicContact CE1-CB 4.34Å; F49-C78 HydrophobicContact CZ-CB 4.17Å; C74-C78 PolarHBondContact O-N 3.34Å; C74-C78 VanDerWaalsContact O-N 3.1Å; L75-C78 WeakPolarHBondContact O-CB 3.42Å; L75-C78 PolarHBondContact O-N 3.02Å; K76-C78 VanDerWaalsContact C-N 3.34Å; C78-G80 VanDerWaalsContact C-N 3.31Å; C78-G80 PolarHBondContact O-N 2.88Å; C78-K81 CarbonylContact O-C 3.47Å; C78-K81 WeakPolarHBondContact O-CA 3.13Å; C78-K81 PolarHBondContact O-N 3.4Å; C78-R82 PolarHBondContact O-N 2.03Å; C78-C90 VanDerWaalsContact CA-SG 3.51Å; C78-C90 HydrophobicContact CB-CB 4Å; C78-C90 WeakPolarHBondContact CB-SG 3.23Å; C78-C90 WeakPolarHBondContact O-CB 3.5Å; C78-C90 WeakPolarHBondContact SG-CB 3.07Å; C78-C90 CovalentContact SG-SG 2.04Å; C78-C90 PolarHBondContact SG-SG 3.34Å; C78-V93 HydrophobicContact CB-CG2 3.48Å; C78-V93 VanDerWaalsContact CB-CG2 3.48Å; C78-V93 WeakPolarHBondContact SG-CG2 3.45Å; C78-L104 HydrophobicContact CB-CD2 3.87Å
79	E	91	Very high	85.4	Confident	44 Å²	44	64.1 Å²	64.1	21%	0.206	34%	0.339	C	S	.	.	H	α-helix	trans	-57.2	-44.5	176.6	-78.3	-53.9	130.1	0	0	111.8	M45 F49 L75 K76 K81 R82	M45-E79 HydrophobicContact CE-CB 4.05Å; M45-E79 HydrophobicContact CE-CG 3.4Å; F49-E79 HydrophobicContact CE2-CG 3.8Å; F49-E79 WeakPolarHBondContact CE2-OE1 3.29Å; F49-E79 HydrophobicContact CZ-CG 3.81Å; F49-E79 VanDerWaalsContact CZ-OE1 3.22Å; F49-E79 WeakPolarHBondContact CZ-OE1 3.47Å; L75-E79 PolarHBondContact O-N 2.89Å; K76-E79 PolarHBondContact O-N 2.93Å; E79-K81 PolarHBondContact O-N 2.91Å; E79-R82 WeakPolarHBondContact O-CB 3.42Å; E79-R82 WeakPolarHBondContact O-CG 3.38Å; E79-R82 PolarHBondContact O-N 2.86Å
80	G	89	Confident	86.1	Confident	43 Å²	43	62.8 Å²	62.8	44%	0.443	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-16.9	175.1	0	0	0	0	0	114.1	K76 I77 C78 R86	K76-G80 PolarHBondContact O-N 2.94Å; I77-G80 PolarHBondContact O-N 3.25Å; C78-G80 VanDerWaalsContact C-N 3.31Å; C78-G80 PolarHBondContact O-N 2.88Å; G80-R86 VanDerWaalsContact O-CZ 3.25Å; G80-R86 PolarHBondContact O-NH1 2.95Å; G80-R86 PolarHBondContact O-NH2 2.93Å
81	K	91	Very high	86.5	Confident	44 Å²	44	63 Å²	63	19%	0.191	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	16.1	178.1	-71.3	170.6	-178.5	-90.3	0	113.6	F63 E64 I77 C78 E79 E89 C90 L104	F63-K81 HydrophobicContact CE2-CD 4.17Å; F63-K81 HydrophobicContact CZ-CD 4.32Å; E64-K81 IonicContact OE1-NZ 2.68Å; E64-K81 WeakPolarHBondContact OE2-CE 3.31Å; E64-K81 IonicContact OE2-NZ 3.99Å; E64-K81 PolarHBondContact OE2-NZ 3.37Å; I77-K81 HydrophobicContact CG2-CD 4.05Å; I77-K81 WeakPolarHBondContact O-CG 3.22Å; I77-K81 PolarHBondContact O-N 3.12Å; C78-K81 CarbonylContact O-C 3.47Å; C78-K81 WeakPolarHBondContact O-CA 3.13Å; C78-K81 PolarHBondContact O-N 3.4Å; E79-K81 PolarHBondContact O-N 2.91Å; K81-E89 WeakPolarHBondContact O-CA 3.04Å; K81-C90 HydrophobicContact CB-CB 3.99Å; K81-C90 PolarHBondContact O-N 3.3Å; K81-L104 HydrophobicContact CD-CD1 3.9Å
82	R	87.7	Confident	86.8	Confident	75 Å²	75	63 Å²	63	28%	0.283	33%	0.329	S	S	.	.			trans	-81.5	-15.2	172.9	-64	-71.2	-65.3	139.9	18.6	114.2	C78 E79 E89 C90 L91	C78-R82 PolarHBondContact O-N 2.03Å; E79-R82 WeakPolarHBondContact O-CB 3.42Å; E79-R82 WeakPolarHBondContact O-CG 3.38Å; E79-R82 PolarHBondContact O-N 2.86Å; R82-E89 IonicContact CZ-OE1 3.05Å; R82-E89 IonicContact NH1-OE1 2.81Å; R82-E89 PolarHBondContact NH1-OE1 2.81Å; R82-E89 IonicContact NH2-OE1 3.88Å; R82-E89 PolarHBondContact NH2-OE1 3.1Å; R82-C90 WeakPolarHBondContact CD-O 3.13Å; R82-C90 PolarHBondContact NH1-O 2.77Å; R82-L91 VanDerWaalsContact NH1-CD2 3.35Å
83	A	77.1	Confident	87.2	Confident	54 Å²	54	61.5 Å²	61.5	45%	0.446	32%	0.322	S	S	.	.	S	Bend	trans	-65.3	135.2	-175	0	0	0	0	0	112.6
84	S	64.2	Low	87.5	Confident	119 Å²	119	57.2 Å²	57.2	83%	0.832	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	139.9	174.6	48.7	0	0	0	0	111.2
85	G	68.2	Low	87.6	Confident	87 Å²	87	57.4 Å²	57.4	90%	0.897	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	-0.5	177.9	0	0	0	0	0	116.1
86	R	69.4	Low	87.5	Confident	137 Å²	137	57.6 Å²	57.6	52%	0.517	30%	0.304	S	S	.	.	S	Bend	trans	-88.5	155.3	169.8	-64.5	-173.2	-178.3	167.3	9.5	111.4	G80 Y88	G80-R86 VanDerWaalsContact O-CZ 3.25Å; G80-R86 PolarHBondContact O-NH1 2.95Å; G80-R86 PolarHBondContact O-NH2 2.93Å; R86-Y88 PolarHBondContact O-N 3.5Å
87	R	78.3	Confident	87.1	Confident	221 Å²	221	55.4 Å²	55.4	83%	0.834	29%	0.293	S	S	*	.	S	Bend	trans	-58.9	-33.2	178.3	-170	176.6	-176.5	166.1	2.7	113
88	Y	86.6	Confident	86.6	Confident	112 Å²	112	59.1 Å²	59.1	44%	0.439	32%	0.317	S	S	.	.	S	Bend	trans	-135	123.7	174.6	-60.5	-75.4	0	0	0	109.4	F63 R86	F63-Y88 HydrophobicContact CB-CD1 4.11Å; F63-Y88 HydrophobicContact CB-CD2 4.23Å; F63-Y88 HydrophobicContact CB-CG 3.94Å; F63-Y88 HydrophobicContact CD2-CD2 4.42Å; F63-Y88 HydrophobicContact CD2-CG 4.19Å; F63-Y88 HydrophobicContact CG-CD1 4.45Å; F63-Y88 HydrophobicContact CG-CD2 4.48Å; F63-Y88 AromaticContact CG-CG 3.99Å; F63-Y88 HydrophobicContact CG-CG 3.99Å; R86-Y88 PolarHBondContact O-N 3.5Å
89	E	90.8	Very high	86.2	Confident	69 Å²	69	67 Å²	67	32%	0.322	35%	0.347	S	S	.	.			trans	-90.3	138.4	169.4	-172.2	-171	151.4	0	0	109	K81 R82 L91 S106	K81-E89 WeakPolarHBondContact O-CA 3.04Å; R82-E89 IonicContact CZ-OE1 3.05Å; R82-E89 IonicContact NH1-OE1 2.81Å; R82-E89 PolarHBondContact NH1-OE1 2.81Å; R82-E89 IonicContact NH2-OE1 3.88Å; R82-E89 PolarHBondContact NH2-OE1 3.1Å; E89-L91 HydrophobicContact CB-CD2 4.42Å; E89-L91 HydrophobicContact CG-CD2 4.08Å; E89-L91 PolarHBondContact O-N 3.39Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.43Å; E89-S106 WeakPolarHBondContact O-CA 3.42Å; E89-S106 WeakPolarHBondContact O-CB 3.39Å
90	C	94.5	Very high	86.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.356	C	S	.	.			trans	-74.8	111.7	172.3	-170.8	0	0	0	0	110.6	F63 C78 K81 R82	F63-C90 HydrophobicContact CZ-CB 4.29Å; C78-C90 VanDerWaalsContact CA-SG 3.51Å; C78-C90 HydrophobicContact CB-CB 4Å; C78-C90 WeakPolarHBondContact CB-SG 3.23Å; C78-C90 WeakPolarHBondContact O-CB 3.5Å; C78-C90 WeakPolarHBondContact SG-CB 3.07Å; C78-C90 CovalentContact SG-SG 2.04Å; C78-C90 PolarHBondContact SG-SG 3.34Å; K81-C90 HydrophobicContact CB-CB 3.99Å; K81-C90 PolarHBondContact O-N 3.3Å; R82-C90 WeakPolarHBondContact CD-O 3.13Å; R82-C90 PolarHBondContact NH1-O 2.77Å
91	L	94.2	Very high	86.3	Confident	54 Å²	54	67.2 Å²	67.2	28%	0.283	34%	0.34	S	S	.	.			trans	-103.4	-25	177.3	-60.9	-169	0	0	0	113	R82 E89 Y105 S106 T108 P127	R82-L91 VanDerWaalsContact NH1-CD2 3.35Å; E89-L91 HydrophobicContact CB-CD2 4.42Å; E89-L91 HydrophobicContact CG-CD2 4.08Å; E89-L91 PolarHBondContact O-N 3.39Å; E89-L91 WeakPolarHBondContact OE1-CD2 3.43Å; L91-Y105 PolarHBondContact N-O 2.65Å; L91-S106 VanDerWaalsContact CD1-O 3.27Å; L91-S106 WeakPolarHBondContact CD1-O 3.03Å; L91-T108 HydrophobicContact CB-CG2 4.09Å; L91-P127 VanDerWaalsContact O-CD 3.3Å; L91-P127 WeakPolarHBondContact O-CD 3.14Å
92	S	95.3	Very high	86.6	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.9	173	65.7	0	0	0	0	111.8	I57 Y105 V107 F125	I57-S92 VanDerWaalsContact CD1-OG 3.26Å; I57-S92 WeakPolarHBondContact CD1-OG 3.46Å; S92-Y105 PolarHBondContact N-O 3.41Å; S92-Y105 PolarHBondContact O-N 2.79Å; S92-V107 PolarHBondContact OG-O 3.05Å; S92-F125 WeakPolarHBondContact CA-O 3.21Å; S92-F125 WeakPolarHBondContact CB-O 3.45Å
93	V	96.9	Very high	87	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.4	-178.4	-178.1	0	0	0	0	109.3	F49 C74 L75 C78 D103 L104 Y124 F125	F49-V93 HydrophobicContact CE1-CG2 4.35Å; C74-V93 WeakPolarHBondContact SG-CG1 3.45Å; L75-V93 HydrophobicContact CD2-CB 4.31Å; L75-V93 HydrophobicContact CD2-CG1 4.27Å; L75-V93 HydrophobicContact CD2-CG2 4.27Å; C78-V93 HydrophobicContact CB-CG2 3.48Å; C78-V93 VanDerWaalsContact CB-CG2 3.48Å; C78-V93 WeakPolarHBondContact SG-CG2 3.45Å; V93-D103 CarbonylContact C-O 3.55Å; V93-D103 VanDerWaalsContact CA-O 3.28Å; V93-D103 WeakPolarHBondContact CA-O 3.49Å; V93-L104 HydrophobicContact CB-CD2 4.47Å; V93-L104 HydrophobicContact CG1-CD2 4.16Å; V93-L104 HydrophobicContact CG2-CD2 3.72Å; V93-Y124 CarbonylContact O-C 3.4Å; V93-Y124 WeakPolarHBondContact O-CA 3.25Å; V93-F125 HydrophobicContact CB-CB 4.19Å; V93-F125 PolarHBondContact N-O 2.92Å; V93-F125 PolarHBondContact O-N 2.81Å
94	V	95.9	Very high	88	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.4	162	177.3	0	0	0	0	107.9	A56 I57 D103 Y105 Y122 V123 Y124	A56-V94 HydrophobicContact CB-CG1 3.78Å; A56-V94 HydrophobicContact CB-CG2 4.31Å; I57-V94 HydrophobicContact CB-CG2 4.45Å; I57-V94 HydrophobicContact CD1-CG2 4.35Å; I57-V94 HydrophobicContact CG1-CG2 3.95Å; V94-D103 HydrophobicContact CB-CB 4.29Å; V94-D103 PolarHBondContact N-O 2.78Å; V94-D103 PolarHBondContact O-N 3.05Å; V94-Y105 HydrophobicContact CB-CE2 3.94Å; V94-Y105 HydrophobicContact CG2-CD2 4.36Å; V94-Y105 HydrophobicContact CG2-CE2 3.69Å; V94-Y122 HydrophobicContact CG1-CD1 3.69Å; V94-Y122 HydrophobicContact CG1-CG 4.46Å; V94-V123 WeakPolarHBondContact CA-O 2.98Å; V94-Y124 HydrophobicContact CG2-CD2 4.09Å
95	Y	95.6	Very high	89.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.8	175.4	-172.2	-95.6	0	0	0	110.6	I69 C71 C74 Y97 N100 V101 C102 Y122 V123	I69-Y95 WeakPolarHBondContact O-CE2 3.34Å; I69-Y95 PolarHBondContact O-OH 2.94Å; C71-Y95 HydrophobicContact CB-CD1 3.93Å; C71-Y95 HydrophobicContact CB-CD2 4.3Å; C71-Y95 HydrophobicContact CB-CE1 3.86Å; C71-Y95 HydrophobicContact CB-CE2 4.22Å; C71-Y95 HydrophobicContact CB-CG 4.15Å; C71-Y95 PolarHBondContact N-OH 3.39Å; C74-Y95 HydrophobicContact CB-CD2 3.91Å; C74-Y95 HydrophobicContact CB-CE2 4.28Å; Y95-Y97 HydrophobicContact CD1-CD1 4.15Å; Y95-Y97 AromaticContact CD1-CD2 3.65Å; Y95-Y97 HydrophobicContact CD1-CD2 3.65Å; Y95-Y97 HydrophobicContact CD1-CE1 4.15Å; Y95-Y97 AromaticContact CD1-CE2 3.63Å; Y95-Y97 HydrophobicContact CD1-CE2 3.63Å; Y95-Y97 AromaticContact CD1-CG 3.93Å; Y95-Y97 HydrophobicContact CD1-CG 3.93Å; Y95-Y97 AromaticContact CD1-CZ 3.91Å; Y95-Y97 AromaticContact CE1-CD1 3.72Å; Y95-Y97 HydrophobicContact CE1-CD1 3.72Å; Y95-Y97 HydrophobicContact CE1-CD2 4.07Å; Y95-Y97 AromaticContact CE1-CE1 3.86Å; Y95-Y97 HydrophobicContact CE1-CE1 3.86Å; Y95-Y97 HydrophobicContact CE1-CE2 4.17Å; Y95-Y97 AromaticContact CE1-CG 3.84Å; Y95-Y97 HydrophobicContact CE1-CG 3.84Å; Y95-N100 PolarHBondContact OH-OD1 2.79Å; Y95-V101 CarbonylContact C-O 3.46Å; Y95-V101 WeakPolarHBondContact CA-O 3.24Å; Y95-C102 HydrophobicContact CD2-CB 4.29Å; Y95-Y122 CarbonylContact O-C 3.51Å; Y95-Y122 VanDerWaalsContact O-CA 3.31Å; Y95-Y122 WeakPolarHBondContact O-CA 3.44Å; Y95-V123 PolarHBondContact N-O 2.94Å; Y95-V123 PolarHBondContact O-N 3.45Å
96	D	92.3	Very high	90.7	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.1	174.4	-175.3	-20.7	0	0	0	109.3	V98 R99 N100 V101 Y122	D96-V98 VanDerWaalsContact C-N 3.29Å; D96-V98 PolarHBondContact O-N 2.83Å; D96-V98 WeakPolarHBondContact OD1-CA 3.48Å; D96-V98 VanDerWaalsContact OD1-CB 3.3Å; D96-V98 WeakPolarHBondContact OD1-CB 3.44Å; D96-V98 PolarHBondContact OD1-N 3.29Å; D96-R99 PolarHBondContact OD1-N 2.66Å; D96-R99 WeakPolarHBondContact OD2-CB 2.93Å; D96-R99 IonicContact OD2-CZ 3.73Å; D96-R99 IonicContact OD2-NE 2.86Å; D96-R99 PolarHBondContact OD2-NE 2.89Å; D96-R99 IonicContact OD2-NH2 3.82Å; D96-N100 WeakPolarHBondContact O-CA 3.28Å; D96-N100 PolarHBondContact O-N 2.83Å; D96-V101 HydrophobicContact CB-CB 3.99Å; D96-V101 PolarHBondContact N-O 3.22Å; D96-V101 PolarHBondContact O-N 3.08Å; D96-Y122 HydrophobicContact CB-CD1 3.86Å; D96-Y122 HydrophobicContact CB-CE1 3.46Å; D96-Y122 VanDerWaalsContact CB-CE1 3.46Å; D96-Y122 VanDerWaalsContact CG-CZ 3.5Å; D96-Y122 WeakPolarHBondContact OD2-CE1 3.38Å; D96-Y122 PolarHBondContact OD2-OH 2.83Å
97	Y	84.7	Confident	91.8	Very high	61 Å²	61	47.4 Å²	47.4	24%	0.239	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.5	177.4	-81.6	-86.5	0	0	0	113.7	L40 Q41 C42 C71 Y95 G121 V123	L40-Y97 HydrophobicContact CD2-CE2 3.91Å; L40-Y97 WeakPolarHBondContact CD2-OH 3.47Å; Q41-Y97 HydrophobicContact CB-CE1 4.37Å; Q41-Y97 PolarHBondContact N-OH 3.16Å; C42-Y97 PolarHBondContact SG-OH 2.79Å; C71-Y97 HydrophobicContact CB-CE1 4.43Å; Y95-Y97 HydrophobicContact CD1-CD1 4.15Å; Y95-Y97 AromaticContact CD1-CD2 3.65Å; Y95-Y97 HydrophobicContact CD1-CD2 3.65Å; Y95-Y97 HydrophobicContact CD1-CE1 4.15Å; Y95-Y97 AromaticContact CD1-CE2 3.63Å; Y95-Y97 HydrophobicContact CD1-CE2 3.63Å; Y95-Y97 AromaticContact CD1-CG 3.93Å; Y95-Y97 HydrophobicContact CD1-CG 3.93Å; Y95-Y97 AromaticContact CD1-CZ 3.91Å; Y95-Y97 AromaticContact CE1-CD1 3.72Å; Y95-Y97 HydrophobicContact CE1-CD1 3.72Å; Y95-Y97 HydrophobicContact CE1-CD2 4.07Å; Y95-Y97 AromaticContact CE1-CE1 3.86Å; Y95-Y97 HydrophobicContact CE1-CE1 3.86Å; Y95-Y97 HydrophobicContact CE1-CE2 4.17Å; Y95-Y97 AromaticContact CE1-CG 3.84Å; Y95-Y97 HydrophobicContact CE1-CG 3.84Å; Y97-G121 WeakPolarHBondContact CB-O 3.04Å; Y97-G121 PolarHBondContact N-O 2.87Å; Y97-V123 HydrophobicContact CD2-CG2 3.83Å; Y97-V123 HydrophobicContact CE2-CB 4.09Å; Y97-V123 HydrophobicContact CE2-CG2 3.48Å; Y97-V123 VanDerWaalsContact CE2-CG2 3.48Å
98	V	82.3	Confident	92.4	Very high	112 Å²	112	37.4 Å²	37.4	68%	0.679	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-37.3	179.3	-176.5	0	0	0	0	110	D96	D96-V98 VanDerWaalsContact C-N 3.29Å; D96-V98 PolarHBondContact O-N 2.83Å; D96-V98 WeakPolarHBondContact OD1-CA 3.48Å; D96-V98 VanDerWaalsContact OD1-CB 3.3Å; D96-V98 WeakPolarHBondContact OD1-CB 3.44Å; D96-V98 PolarHBondContact OD1-N 3.29Å
99	R	85.5	Confident	92.4	Very high	166 Å²	166	32.4 Å²	32.4	63%	0.626	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-1.6	-175.7	-63.1	-179.3	-105.5	-161.8	-13.3	114.6	D96 V101 Y122	D96-R99 PolarHBondContact OD1-N 2.66Å; D96-R99 WeakPolarHBondContact OD2-CB 2.93Å; D96-R99 IonicContact OD2-CZ 3.73Å; D96-R99 IonicContact OD2-NE 2.86Å; D96-R99 PolarHBondContact OD2-NE 2.89Å; D96-R99 IonicContact OD2-NH2 3.82Å; R99-V101 VanDerWaalsContact C-N 3.29Å; R99-V101 HydrophobicContact CB-CG2 3.67Å; R99-V101 PolarHBondContact O-N 2.96Å; R99-Y122 PolarHBondContact NH2-OH 2.78Å
100	N	88.1	Confident	91.9	Very high	75 Å²	75	31.8 Å²	31.8	40%	0.401	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	49.3	-171.5	-62.7	-46.3	0	0	0	112	S67 E68 Y95 D96	S67-N100 CarbonylContact C-O 3.59Å; E68-N100 PolarHBondContact N-O 3.19Å; Y95-N100 PolarHBondContact OH-OD1 2.79Å; D96-N100 WeakPolarHBondContact O-CA 3.28Å; D96-N100 PolarHBondContact O-N 2.83Å
101	V	93.9	Very high	91.4	Very high	16 Å²	16	35 Å²	35	10%	0.097	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.3	-179.1	-179.6	0	0	0	0	109.8	R65 R66 Y95 D96 R99	R65-V101 HydrophobicContact CG-CG1 3.73Å; R66-V101 CarbonylContact O-C 3.57Å; R66-V101 WeakPolarHBondContact O-CA 3.42Å; Y95-V101 CarbonylContact C-O 3.46Å; Y95-V101 WeakPolarHBondContact CA-O 3.24Å; D96-V101 HydrophobicContact CB-CB 3.99Å; D96-V101 PolarHBondContact N-O 3.22Å; D96-V101 PolarHBondContact O-N 3.08Å; R99-V101 VanDerWaalsContact C-N 3.29Å; R99-V101 HydrophobicContact CB-CG2 3.67Å; R99-V101 PolarHBondContact O-N 2.96Å
102	C	96.4	Very high	90.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.2	177.2	176.8	0	0	0	0	110.3	R65 R66 I69 C74 Y95	R65-C102 CarbonylContact C-O 3.52Å; R65-C102 VanDerWaalsContact CA-O 3.3Å; R65-C102 WeakPolarHBondContact CA-O 3.42Å; R66-C102 HydrophobicContact CB-CB 4.36Å; R66-C102 PolarHBondContact N-O 3.29Å; R66-C102 PolarHBondContact O-N 3.09Å; I69-C102 HydrophobicContact CD1-CB 3.56Å; I69-C102 HydrophobicContact CG1-CB 3.86Å; C74-C102 WeakPolarHBondContact CA-SG 3.35Å; C74-C102 HydrophobicContact CB-CB 3.56Å; C74-C102 WeakPolarHBondContact CB-SG 3.38Å; C74-C102 VanDerWaalsContact SG-CA 3.6Å; C74-C102 WeakPolarHBondContact SG-CB 3.06Å; C74-C102 CovalentContact SG-SG 2.01Å; C74-C102 PolarHBondContact SG-SG 2.7Å; Y95-C102 HydrophobicContact CD2-CB 4.29Å
103	D	97.8	Very high	90.4	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.4	177.5	-74.7	-26	0	0	0	110.6	P62 R65 V93 V94 Y105	P62-D103 HydrophobicContact CB-CB 3.85Å; P62-D103 HydrophobicContact CG-CB 4.17Å; R65-D103 WeakPolarHBondContact CB-OD1 3.44Å; R65-D103 VanDerWaalsContact CG-OD1 3.3Å; R65-D103 WeakPolarHBondContact CG-OD1 3.45Å; R65-D103 IonicContact CZ-OD1 3.53Å; R65-D103 IonicContact CZ-OD2 3.12Å; R65-D103 IonicContact NE-OD1 3.84Å; R65-D103 PolarHBondContact NE-OD1 3.26Å; R65-D103 IonicContact NE-OD2 3.22Å; R65-D103 IonicContact NH2-OD1 2.59Å; R65-D103 PolarHBondContact NH2-OD1 3.11Å; R65-D103 IonicContact NH2-OD2 2.68Å; R65-D103 PolarHBondContact NH2-OD2 3.15Å; V93-D103 CarbonylContact C-O 3.55Å; V93-D103 VanDerWaalsContact CA-O 3.28Å; V93-D103 WeakPolarHBondContact CA-O 3.49Å; V94-D103 HydrophobicContact CB-CB 4.29Å; V94-D103 PolarHBondContact N-O 2.78Å; V94-D103 PolarHBondContact O-N 3.05Å; D103-Y105 HydrophobicContact CB-CD2 4.38Å; D103-Y105 HydrophobicContact CB-CE2 3.52Å; D103-Y105 WeakPolarHBondContact O-CD2 3.11Å
104	L	97.2	Very high	90	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.3	178.6	-54	-179.2	0	0	0	110.3	P62 F63 E64 I77 C78 K81 V93	P62-L104 CarbonylContact C-O 3.59Å; P62-L104 WeakPolarHBondContact CA-O 3.33Å; P62-L104 WeakPolarHBondContact CB-O 2.95Å; F63-L104 HydrophobicContact CD1-CB 4.45Å; F63-L104 WeakPolarHBondContact CD1-O 3.28Å; F63-L104 HydrophobicContact CE1-CB 3.75Å; F63-L104 WeakPolarHBondContact CE1-O 3.28Å; F63-L104 HydrophobicContact CE2-CB 4.16Å; F63-L104 HydrophobicContact CZ-CB 3.58Å; F63-L104 HydrophobicContact CZ-CD1 4.34Å; F63-L104 PolarHBondContact N-O 2.87Å; E64-L104 HydrophobicContact CB-CB 4.32Å; E64-L104 HydrophobicContact CB-CD1 4.26Å; E64-L104 HydrophobicContact CG-CD1 4.37Å; E64-L104 PolarHBondContact O-N 2.96Å; I77-L104 HydrophobicContact CB-CD1 4.47Å; I77-L104 HydrophobicContact CG2-CD1 3.63Å; C78-L104 HydrophobicContact CB-CD2 3.87Å; K81-L104 HydrophobicContact CD-CD1 3.9Å; V93-L104 HydrophobicContact CB-CD2 4.47Å; V93-L104 HydrophobicContact CG1-CD2 4.16Å; V93-L104 HydrophobicContact CG2-CD2 3.72Å
105	Y	96.2	Very high	89.6	Confident	11 Å²	11	44.3 Å²	44.3	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140	-176.6	-65.5	-93.9	0	0	0	111.5	I57 P62 F63 L91 S92 V94 D103 V107	I57-Y105 HydrophobicContact CB-CE1 4.32Å; I57-Y105 HydrophobicContact CD1-CD1 3.92Å; I57-Y105 HydrophobicContact CD1-CD2 3.68Å; I57-Y105 HydrophobicContact CD1-CE1 4.23Å; I57-Y105 HydrophobicContact CD1-CE2 4.02Å; I57-Y105 HydrophobicContact CD1-CG 3.61Å; I57-Y105 HydrophobicContact CG2-CE1 4.47Å; P62-Y105 HydrophobicContact CB-CD1 4.38Å; P62-Y105 HydrophobicContact CB-CE1 4.05Å; P62-Y105 HydrophobicContact CB-CE2 4.24Å; P62-Y105 HydrophobicContact CG-CE1 4.5Å; P62-Y105 VanDerWaalsContact N-CE1 3.33Å; F63-Y105 VanDerWaalsContact CE1-C 3.43Å; L91-Y105 PolarHBondContact N-O 2.65Å; S92-Y105 PolarHBondContact N-O 3.41Å; S92-Y105 PolarHBondContact O-N 2.79Å; V94-Y105 HydrophobicContact CB-CE2 3.94Å; V94-Y105 HydrophobicContact CG2-CD2 4.36Å; V94-Y105 HydrophobicContact CG2-CE2 3.69Å; D103-Y105 HydrophobicContact CB-CD2 4.38Å; D103-Y105 HydrophobicContact CB-CE2 3.52Å; D103-Y105 WeakPolarHBondContact O-CD2 3.11Å; Y105-V107 HydrophobicContact CD1-CG2 4.26Å; Y105-V107 PolarHBondContact O-N 3.47Å
106	S	93.3	Very high	89.3	Confident	46 Å²	46	44.7 Å²	44.7	32%	0.322	24%	0.239	S	C	.	.	S	Bend	trans	-92.4	20	171.7	65	0	0	0	0	112.2	E89 L91	E89-S106 WeakPolarHBondContact O-CA 3.42Å; E89-S106 WeakPolarHBondContact O-CB 3.39Å; L91-S106 VanDerWaalsContact CD1-O 3.27Å; L91-S106 WeakPolarHBondContact CD1-O 3.03Å
107	V	92.8	Very high	89	Confident	34 Å²	34	44.5 Å²	44.5	21%	0.206	24%	0.238	C	C	.	.	S	Bend	trans	-139.2	167.6	-179.8	-67	0	0	0	0	107.8	S92 Y105 Q114	S92-V107 PolarHBondContact OG-O 3.05Å; Y105-V107 HydrophobicContact CD1-CG2 4.26Å; Y105-V107 PolarHBondContact O-N 3.47Å; V107-Q114 HydrophobicContact CB-CG 4.47Å; V107-Q114 HydrophobicContact CG2-CG 3.87Å
108	T	91.2	Very high	89	Confident	11 Å²	11	43.7 Å²	43.7	7%	0.067	24%	0.241	C	C	.	.			trans	-115	157.4	172.4	72.3	0	0	0	0	109.5	L91 G110 T111	L91-T108 HydrophobicContact CB-CG2 4.09Å; T108-G110 PolarHBondContact O-N 2.03Å; T108-G110 PolarHBondContact OG1-N 2.03Å; T108-T111 PolarHBondContact O-N 3.49Å; T108-T111 VanDerWaalsContact O-N 3.11Å; T108-T111 PolarHBondContact O-OG1 2.86Å; T108-T111 PolarHBondContact OG1-OG1 3.18Å
109	G	85.2	Confident	89.1	Confident	7 Å²	7	40.2 Å²	40.2	7%	0.072	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	11.5	173.7	0	0	0	0	0	115	C115 L116 Y124	G109-C115 CarbonylContact O-C 3.55Å; G109-C115 WeakPolarHBondContact O-CA 3.45Å; G109-L116 PolarHBondContact O-N 3.33Å; G109-Y124 PolarHBondContact N-OH 2.87Å
110	G	81.6	Confident	89	Confident	56 Å²	56	38.7 Å²	38.7	58%	0.577	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-1.6	170.9	0	0	0	0	0	113.9	T108	T108-G110 PolarHBondContact O-N 2.03Å; T108-G110 PolarHBondContact OG1-N 2.03Å
111	T	82.2	Confident	88.8	Confident	67 Å²	67	36.2 Å²	36.2	41%	0.411	21%	0.214	S	C	.	.	S	Bend	trans	-100.2	116.8	-175	-41.9	0	0	0	0	109.3	T108 Q114	T108-T111 PolarHBondContact O-N 3.49Å; T108-T111 VanDerWaalsContact O-N 3.11Å; T108-T111 PolarHBondContact O-OG1 2.86Å; T108-T111 PolarHBondContact OG1-OG1 3.18Å; T111-Q114 CarbonylContact O-C 3.54Å; T111-Q114 VanDerWaalsContact O-CA 3.28Å; T111-Q114 WeakPolarHBondContact O-CA 3.41Å; T111-Q114 VanDerWaalsContact O-CB 3.23Å; T111-Q114 WeakPolarHBondContact O-CB 3.02Å; T111-Q114 PolarHBondContact O-N 3Å; T111-Q114 VanDerWaalsContact O-O 3.06Å; T111-Q114 PolarHBondContact O-OE1 2.97Å; T111-Q114 VanDerWaalsContact O-OE1 3.08Å
112	W	81.4	Confident	88.6	Confident	164 Å²	164	36.8 Å²	36.8	62%	0.621	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	136.4	177.4	-175.9	90.6	0	0	0	110.8	P14	P14-W112 HydrophobicContact CB-CZ2 4.14Å; P14-W112 HydrophobicContact CG-CD2 4.08Å; P14-W112 VanDerWaalsContact CG-CE2 3.44Å; P14-W112 HydrophobicContact CG-CG 4.33Å; P14-W112 HydrophobicContact CG-CZ2 3.75Å; P14-W112 VanDerWaalsContact CG-NE1 3.32Å; P14-W112 VanDerWaalsContact O-CD1 3.26Å
113	P	88.3	Confident	88.5	Confident	52 Å²	52	37 Å²	37	34%	0.338	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.3	1.9	9.5	35.2	-36.6	0	0	0	115.8	C16 N59	C16-P113 PolarHBondContact SG-O 3.45Å; N59-P113 WeakPolarHBondContact CB-O 2.91Å; N59-P113 PolarHBondContact ND2-O 3.08Å
114	Q	88.7	Confident	88.2	Confident	29 Å²	29	37.2 Å²	37.2	14%	0.136	22%	0.216	C	C	.	.			trans	-73.5	143.9	178.9	-65.2	74.4	45.4	0	0	112.3	I57 A58 N59 V107 T111	I57-Q114 HydrophobicContact CG2-CB 3.92Å; I57-Q114 HydrophobicContact CG2-CG 3.97Å; A58-Q114 WeakPolarHBondContact O-CA 3.14Å; N59-Q114 WeakPolarHBondContact O-CG 3.47Å; N59-Q114 PolarHBondContact O-NE2 3.23Å; V107-Q114 HydrophobicContact CB-CG 4.47Å; V107-Q114 HydrophobicContact CG2-CG 3.87Å; T111-Q114 CarbonylContact O-C 3.54Å; T111-Q114 VanDerWaalsContact O-CA 3.28Å; T111-Q114 WeakPolarHBondContact O-CA 3.41Å; T111-Q114 VanDerWaalsContact O-CB 3.23Å; T111-Q114 WeakPolarHBondContact O-CB 3.02Å; T111-Q114 PolarHBondContact O-N 3Å; T111-Q114 VanDerWaalsContact O-O 3.06Å; T111-Q114 PolarHBondContact O-OE1 2.97Å; T111-Q114 VanDerWaalsContact O-OE1 3.08Å
115	C	87.5	Confident	88.1	Confident	6 Å²	6	37.1 Å²	37.1	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	165.2	168.4	59.5	0	0	0	0	112	C16 I57 A58 G109	C16-C115 HydrophobicContact CB-CB 3.37Å; C16-C115 WeakPolarHBondContact CB-SG 3.36Å; C16-C115 WeakPolarHBondContact SG-CB 3.39Å; C16-C115 CovalentContact SG-SG 2.02Å; C16-C115 PolarHBondContact SG-SG 2.91Å; I57-C115 CarbonylContact C-O 3.53Å; I57-C115 WeakPolarHBondContact CA-O 3.09Å; A58-C115 PolarHBondContact N-O 2.87Å; A58-C115 PolarHBondContact O-N 2.89Å; G109-C115 CarbonylContact O-C 3.55Å; G109-C115 WeakPolarHBondContact O-CA 3.45Å
116	L	89.1	Confident	87.9	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.8	171.1	-60.4	177.6	0	0	0	111.2	S29 T55 A56 I57 G109 Y124	S29-L116 PolarHBondContact N-O 3.17Å; S29-L116 VanDerWaalsContact N-O 3.09Å; S29-L116 WeakPolarHBondContact OG-CB 3.34Å; S29-L116 PolarHBondContact OG-O 3.09Å; T55-L116 HydrophobicContact CG2-CB 3.8Å; T55-L116 HydrophobicContact CG2-CD1 4.21Å; T55-L116 HydrophobicContact CG2-CD2 3.97Å; T55-L116 HydrophobicContact CG2-CG 4.21Å; A56-L116 CarbonylContact O-C 3.53Å; A56-L116 WeakPolarHBondContact O-CA 3.21Å; I57-L116 HydrophobicContact CG1-CD2 4.22Å; G109-L116 PolarHBondContact O-N 3.33Å; L116-Y124 HydrophobicContact CD1-CD1 4.19Å; L116-Y124 HydrophobicContact CD1-CE1 4.15Å; L116-Y124 HydrophobicContact CD2-CD1 3.88Å; L116-Y124 HydrophobicContact CD2-CD2 3.6Å; L116-Y124 HydrophobicContact CD2-CE1 3.95Å; L116-Y124 HydrophobicContact CD2-CE2 3.67Å; L116-Y124 HydrophobicContact CD2-CG 3.69Å
117	A	86.2	Confident	87.8	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.4	178.3	0	0	0	0	0	110.6	I18 A26 Q27 T55 A56 A58 M119	I18-A117 HydrophobicContact CD1-CB 3.63Å; I18-A117 HydrophobicContact CG1-CB 4.25Å; A26-A117 HydrophobicContact CB-CB 4.36Å; Q27-A117 CarbonylContact O-C 3.59Å; Q27-A117 WeakPolarHBondContact O-CA 3.31Å; T55-A117 WeakPolarHBondContact CA-O 3.06Å; A56-A117 PolarHBondContact N-O 2.93Å; A56-A117 PolarHBondContact O-N 2.92Å; A58-A117 HydrophobicContact CB-CB 4.02Å; A117-M119 PolarHBondContact O-N 2.84Å
118	S	83.7	Confident	87.6	Confident	44 Å²	44	40.9 Å²	40.9	31%	0.308	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	119.8	174.2	-56.4	0	0	0	0	110.4	Q27 N54	Q27-S118 PolarHBondContact O-N 2.91Å; Q27-S118 PolarHBondContact O-OG 3.25Å; N54-S118 CarbonylContact O-C 3.53Å; N54-S118 VanDerWaalsContact O-CA 3.3Å; N54-S118 WeakPolarHBondContact O-CA 3.09Å
119	M	84.5	Confident	87.1	Confident	39 Å²	39	43.2 Å²	43.2	19%	0.192	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	110.4	174.2	-68.5	-172.4	82.6	0	0	109.6	I23 N54 A56 A117 G121 Y122	I23-M119 HydrophobicContact CD1-CE 3.42Å; I23-M119 VanDerWaalsContact CD1-CE 3.42Å; I23-M119 HydrophobicContact CD1-CG 4.26Å; I23-M119 HydrophobicContact CD1-SD 3.57Å; I23-M119 VanDerWaalsContact CD1-SD 3.57Å; I23-M119 HydrophobicContact CG1-CE 4.02Å; I23-M119 HydrophobicContact CG2-CE 4.42Å; N54-M119 CarbonylContact C-O 3.56Å; N54-M119 WeakPolarHBondContact CA-O 3.43Å; N54-M119 PolarHBondContact O-N 2.03Å; A56-M119 HydrophobicContact CB-CB 4.08Å; A56-M119 HydrophobicContact CB-CG 3.97Å; A56-M119 HydrophobicContact CB-SD 3.39Å; A56-M119 WeakPolarHBondContact CB-SD 3.46Å; A117-M119 PolarHBondContact O-N 2.84Å; M119-G121 PolarHBondContact O-N 2.92Å; M119-Y122 HydrophobicContact CB-CD2 3.52Å; M119-Y122 HydrophobicContact CB-CE2 4.21Å; M119-Y122 HydrophobicContact CB-CG 3.94Å; M119-Y122 HydrophobicContact CE-CD2 4.48Å; M119-Y122 HydrophobicContact CE-CE2 4.04Å; M119-Y122 WeakPolarHBondContact O-CB 3.05Å; M119-Y122 PolarHBondContact O-N 2.63Å
120	N	83.5	Confident	86.7	Confident	134 Å²	134	50.5 Å²	50.5	72%	0.717	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	135	-178.3	-76	-16.7	0	0	0	112	Y122	N120-Y122 VanDerWaalsContact C-N 3.27Å; N120-Y122 WeakPolarHBondContact O-CD2 3.45Å; N120-Y122 PolarHBondContact O-N 3.22Å
121	G	84	Confident	86.3	Confident	22 Å²	22	49.8 Å²	49.8	23%	0.227	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.6	-4.1	-178.5	0	0	0	0	0	114.7	N54 Y97 M119	N54-G121 PolarHBondContact OD1-N 2.86Å; Y97-G121 WeakPolarHBondContact CB-O 3.04Å; Y97-G121 PolarHBondContact N-O 2.87Å; M119-G121 PolarHBondContact O-N 2.92Å
122	Y	90.8	Very high	85.4	Confident	28 Å²	28	51.8 Å²	51.8	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	151.5	174.4	-66.9	-100.9	0	0	0	111.1	N54 T55 A56 V94 Y95 D96 R99 M119 N120	N54-Y122 WeakPolarHBondContact CA-O 3.35Å; N54-Y122 PolarHBondContact N-O 2.57Å; T55-Y122 PolarHBondContact N-O 3.34Å; A56-Y122 HydrophobicContact CB-CD1 4.45Å; A56-Y122 HydrophobicContact CB-CG 4.44Å; V94-Y122 HydrophobicContact CG1-CD1 3.69Å; V94-Y122 HydrophobicContact CG1-CG 4.46Å; Y95-Y122 CarbonylContact O-C 3.51Å; Y95-Y122 VanDerWaalsContact O-CA 3.31Å; Y95-Y122 WeakPolarHBondContact O-CA 3.44Å; D96-Y122 HydrophobicContact CB-CD1 3.86Å; D96-Y122 HydrophobicContact CB-CE1 3.46Å; D96-Y122 VanDerWaalsContact CB-CE1 3.46Å; D96-Y122 VanDerWaalsContact CG-CZ 3.5Å; D96-Y122 WeakPolarHBondContact OD2-CE1 3.38Å; D96-Y122 PolarHBondContact OD2-OH 2.83Å; R99-Y122 PolarHBondContact NH2-OH 2.78Å; M119-Y122 HydrophobicContact CB-CD2 3.52Å; M119-Y122 HydrophobicContact CB-CE2 4.21Å; M119-Y122 HydrophobicContact CB-CG 3.94Å; M119-Y122 HydrophobicContact CE-CD2 4.48Å; M119-Y122 HydrophobicContact CE-CE2 4.04Å; M119-Y122 WeakPolarHBondContact O-CB 3.05Å; M119-Y122 PolarHBondContact O-N 2.63Å; N120-Y122 VanDerWaalsContact C-N 3.27Å; N120-Y122 WeakPolarHBondContact O-CD2 3.45Å; N120-Y122 PolarHBondContact O-N 3.22Å
123	V	92.3	Very high	84	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.6	171.8	-174.7	0	0	0	0	109.2	L40 S52 T55 V94 Y95 Y97 F125	L40-V123 HydrophobicContact CD1-CG1 4.44Å; L40-V123 HydrophobicContact CD2-CB 4.34Å; L40-V123 HydrophobicContact CD2-CG1 3.99Å; L40-V123 HydrophobicContact CD2-CG2 3.71Å; S52-V123 WeakPolarHBondContact O-CA 3.47Å; T55-V123 CarbonylContact O-C 3.58Å; V94-V123 WeakPolarHBondContact CA-O 2.98Å; Y95-V123 PolarHBondContact N-O 2.94Å; Y95-V123 PolarHBondContact O-N 3.45Å; Y97-V123 HydrophobicContact CD2-CG2 3.83Å; Y97-V123 HydrophobicContact CE2-CB 4.09Å; Y97-V123 HydrophobicContact CE2-CG2 3.48Å; Y97-V123 VanDerWaalsContact CE2-CG2 3.48Å; V123-F125 HydrophobicContact CB-CD2 4.49Å; V123-F125 HydrophobicContact CB-CE2 3.68Å; V123-F125 HydrophobicContact CB-CZ 3.85Å; V123-F125 HydrophobicContact CG1-CD1 4.45Å; V123-F125 HydrophobicContact CG1-CD2 4.16Å; V123-F125 HydrophobicContact CG1-CE1 3.84Å; V123-F125 HydrophobicContact CG1-CE2 3.5Å; V123-F125 HydrophobicContact CG1-CZ 3.31Å
124	Y	93.2	Very high	82.2	Confident	12 Å²	12	47.3 Å²	47.3	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.4	175.2	170.3	-99.1	0	0	0	109.5	S51 S52 T55 I57 V93 V94 G109 L116 R126	S51-Y124 CarbonylContact C-O 3.46Å; S51-Y124 VanDerWaalsContact CA-O 3.28Å; S51-Y124 WeakPolarHBondContact CA-O 3.1Å; S52-Y124 PolarHBondContact N-O 2.84Å; S52-Y124 PolarHBondContact O-N 2.8Å; T55-Y124 PolarHBondContact O-N 2.86Å; T55-Y124 VanDerWaalsContact O-N 3.16Å; I57-Y124 HydrophobicContact CD1-CD2 4.23Å; I57-Y124 HydrophobicContact CD1-CE2 3.79Å; I57-Y124 HydrophobicContact CG1-CD2 3.89Å; I57-Y124 HydrophobicContact CG1-CE2 3.79Å; V93-Y124 CarbonylContact O-C 3.4Å; V93-Y124 WeakPolarHBondContact O-CA 3.25Å; V94-Y124 HydrophobicContact CG2-CD2 4.09Å; G109-Y124 PolarHBondContact N-OH 2.87Å; L116-Y124 HydrophobicContact CD1-CD1 4.19Å; L116-Y124 HydrophobicContact CD1-CE1 4.15Å; L116-Y124 HydrophobicContact CD2-CD1 3.88Å; L116-Y124 HydrophobicContact CD2-CD2 3.6Å; L116-Y124 HydrophobicContact CD2-CE1 3.95Å; L116-Y124 HydrophobicContact CD2-CE2 3.67Å; L116-Y124 HydrophobicContact CD2-CG 3.69Å; Y124-R126 HydrophobicContact CE1-CB 4.2Å
125	F	94.7	Very high	80.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.1	176.8	-57.8	-91.1	0	0	0	111.4	L40 C42 L46 F49 N50 L75 S92 V93 V123	L40-F125 HydrophobicContact CD1-CE1 4.13Å; L40-F125 HydrophobicContact CD1-CZ 4.4Å; L40-F125 HydrophobicContact CD2-CZ 4.46Å; C42-F125 WeakPolarHBondContact SG-CZ 3.13Å; L46-F125 HydrophobicContact CD2-CE1 3.71Å; F49-F125 HydrophobicContact CB-CB 4.09Å; F49-F125 HydrophobicContact CB-CD1 4.04Å; F49-F125 HydrophobicContact CD1-CB 3.71Å; F49-F125 HydrophobicContact CG-CB 4.18Å; N50-F125 CarbonylContact O-C 3.31Å; N50-F125 VanDerWaalsContact O-CA 3.28Å; N50-F125 WeakPolarHBondContact O-CA 3.29Å; L75-F125 HydrophobicContact CD1-CD1 4.18Å; L75-F125 HydrophobicContact CD1-CE1 4.23Å; L75-F125 HydrophobicContact CD2-CB 3.89Å; L75-F125 HydrophobicContact CD2-CD1 4.19Å; L75-F125 HydrophobicContact CD2-CD2 3.89Å; L75-F125 HydrophobicContact CD2-CE2 4.46Å; L75-F125 HydrophobicContact CD2-CG 3.73Å; S92-F125 WeakPolarHBondContact CA-O 3.21Å; S92-F125 WeakPolarHBondContact CB-O 3.45Å; V93-F125 HydrophobicContact CB-CB 4.19Å; V93-F125 PolarHBondContact N-O 2.92Å; V93-F125 PolarHBondContact O-N 2.81Å; V123-F125 HydrophobicContact CB-CD2 4.49Å; V123-F125 HydrophobicContact CB-CE2 3.68Å; V123-F125 HydrophobicContact CB-CZ 3.85Å; V123-F125 HydrophobicContact CG1-CD1 4.45Å; V123-F125 HydrophobicContact CG1-CD2 4.16Å; V123-F125 HydrophobicContact CG1-CE1 3.84Å; V123-F125 HydrophobicContact CG1-CE2 3.5Å; V123-F125 HydrophobicContact CG1-CZ 3.31Å
126	R	92.1	Very high	78.1	Confident	109 Å²	109	59.2 Å²	59.2	41%	0.411	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.5	171.4	-173.6	179.6	-179.9	147	3.2	109.8	F49 N50 Y124 T128	F49-R126 CarbonylContact C-O 3.54Å; F49-R126 VanDerWaalsContact CA-O 3.26Å; F49-R126 WeakPolarHBondContact CA-O 3.31Å; N50-R126 PolarHBondContact N-O 2.84Å; N50-R126 PolarHBondContact O-N 3.32Å; Y124-R126 HydrophobicContact CE1-CB 4.2Å; R126-T128 PolarHBondContact O-N 3.43Å
127	P	91.1	Very high	76	Confident	14 Å²	14	60.1 Å²	60.1	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	136.7	173.4	-22.9	30.8	0	0	0	111.5	C48 F49 L91 G129	C48-P127 CarbonylContact O-C 3.51Å; C48-P127 WeakPolarHBondContact O-CA 3.38Å; F49-P127 HydrophobicContact CD1-CB 4.4Å; F49-P127 HydrophobicContact CD1-CG 4.05Å; F49-P127 HydrophobicContact CE1-CB 4.23Å; F49-P127 HydrophobicContact CE1-CG 3.62Å; F49-P127 HydrophobicContact CZ-CG 4.36Å; L91-P127 VanDerWaalsContact O-CD 3.3Å; L91-P127 WeakPolarHBondContact O-CD 3.14Å; P127-G129 VanDerWaalsContact C-N 3.27Å
128	T	88	Confident	74.3	Confident	46 Å²	46	67 Å²	67	28%	0.282	38%	0.379	S	S	.	.			trans	-79	-13.5	175.5	60.6	0	0	0	0	112.5	C48 R126 H130	C48-T128 PolarHBondContact O-N 2.96Å; C48-T128 PolarHBondContact O-OG1 3.02Å; R126-T128 PolarHBondContact O-N 3.43Å; T128-H130 PolarHBondContact O-N 3.11Å; T128-H130 PolarHBondContact O-ND1 2.98Å; T128-H130 VanDerWaalsContact O-ND1 3.11Å; T128-H130 PolarHBondContact OG1-N 3.33Å
129	G	81.2	Confident	72.8	Confident	60 Å²	60	70.4 Å²	70.4	62%	0.619	39%	0.393	S	S	*	.	S	Bend	trans	78	-9.5	-173.2	0	0	0	0	0	114.3	P127	P127-G129 VanDerWaalsContact C-N 3.27Å
130	H	76	Confident	71.5	Confident	161 Å²	161	71.6 Å²	71.6	75%	0.745	41%	0.405	S	S	*	.			trans	-111.3	51.3	-179.2	-60.5	84.1	0	0	0	110.4	T128 V132	T128-H130 PolarHBondContact O-N 3.11Å; T128-H130 PolarHBondContact O-ND1 2.98Å; T128-H130 VanDerWaalsContact O-ND1 3.11Å; T128-H130 PolarHBondContact OG1-N 3.33Å; H130-V132 VanDerWaalsContact C-N 3.34Å; H130-V132 PolarHBondContact O-N 3.5Å
131	C	74.3	Confident	70.9	Confident	41 Å²	41	67.9 Å²	67.9	28%	0.277	39%	0.389	S	S	.	.			trans	-79.9	88.8	176.1	-161.5	0	0	0	0	109.1	C48 P133	C48-C131 HydrophobicContact CB-CB 3.63Å; C48-C131 WeakPolarHBondContact CB-SG 3.42Å; C48-C131 WeakPolarHBondContact SG-CA 3.4Å; C48-C131 WeakPolarHBondContact SG-CB 3.31Å; C48-C131 CovalentContact SG-SG 2.05Å; C48-C131 PolarHBondContact SG-SG 3.08Å; C131-P133 WeakPolarHBondContact O-CD 3.48Å
132	V	62.7	Low	71	Confident	108 Å²	108	67 Å²	67	66%	0.655	38%	0.38	S	S	*	.			trans	-74.4	120.8	156.4	-167.6	0	0	0	0	104.7	Q47 H130 A134	Q47-V132 PolarHBondContact NE2-O 2.8Å; H130-V132 VanDerWaalsContact C-N 3.34Å; H130-V132 PolarHBondContact O-N 3.5Å; V132-A134 PolarHBondContact O-N 3.36Å
133	P	52.7	Low	70.7	Confident	101 Å²	101	72.2 Å²	72.2	66%	0.656	41%	0.405	S	S	*	.			trans	-49.7	124.6	168.4	-18.4	28.4	0	0	0	106.2	C131	C131-P133 WeakPolarHBondContact O-CD 3.48Å
134	A	50.7	Low	70.3	Confident	21 Å²	21	77 Å²	77	17%	0.174	44%	0.436	C	S	.	.			trans	-44.7	127	166.2	0	0	0	0	0	105.3	N44 V132 Q136	N44-A134 HydrophobicContact CB-CB 3.89Å; N44-A134 WeakPolarHBondContact ND2-CB 3.09Å; V132-A134 PolarHBondContact O-N 3.36Å; A134-Q136 PolarHBondContact O-N 2.81Å
135	P	43.9	Very low	70.1	Confident	109 Å²	109	80.7 Å²	80.7	71%	0.708	46%	0.462	S	S	*	.			trans	-44.1	122.7	-179.9	-25.1	30.3	0	0	0	106.1
136	Q	44.9	Very low	70	Confident	177 Å²	177	86 Å²	86	83%	0.827	48%	0.482	S	S	*	.			trans	-42.1	119.5	176.8	-73.1	176.1	-12.3	0	0	105.3	A134 Q138	A134-Q136 PolarHBondContact O-N 2.81Å; Q136-Q138 PolarHBondContact O-N 2.77Å
137	P	46.1	Very low	69.9	Low	31 Å²	31	86.2 Å²	86.2	20%	0.201	49%	0.486	C	S	.	.			trans	-49.6	119.6	-166.9	14.1	-27.7	0	0	0	105.9	L139 A188	P137-L139 VanDerWaalsContact C-N 3.32Å; P137-L139 WeakPolarHBondContact O-CA 3.28Å; P137-L139 PolarHBondContact O-N 3.21Å; P137-A188 HydrophobicContact CG-CB 3.96Å
138	Q	49.9	Very low	69.9	Low	146 Å²	146	87.2 Å²	87.2	68%	0.682	49%	0.488	S	S	*	.			trans	-52.4	107.2	-174.7	-71.8	-147.5	-29	0	0	105.9	Q136 S140	Q136-Q138 PolarHBondContact O-N 2.77Å; Q138-S140 CarbonylContact O-C 3.47Å; Q138-S140 PolarHBondContact O-N 3.1Å
139	L	53.2	Low	70	Confident	115 Å²	115	85.2 Å²	85.2	60%	0.602	48%	0.475	S	S	*	.	S	Bend	trans	-62.7	-13.5	-161.9	-160.1	76.4	0	0	0	111	P137	P137-L139 VanDerWaalsContact C-N 3.32Å; P137-L139 WeakPolarHBondContact O-CA 3.28Å; P137-L139 PolarHBondContact O-N 3.21Å
140	S	56.4	Low	70.6	Confident	64 Å²	64	82.3 Å²	82.3	45%	0.448	45%	0.446	S	S	.	.			trans	-127.3	95.2	170.3	58.6	0	0	0	0	110.7	Q138 C142	Q138-S140 CarbonylContact O-C 3.47Å; Q138-S140 PolarHBondContact O-N 3.1Å; S140-C142 PolarHBondContact O-N 2.82Å
141	S	71.7	Confident	71.4	Confident	55 Å²	55	74.8 Å²	74.8	39%	0.385	41%	0.411	S	S	.	.	S	Bend	trans	-63.1	-23.6	164.1	56.3	0	0	0	0	112.2	R148	S141-R148 PolarHBondContact OG-NH1 2.99Å
142	C	84.8	Confident	72.4	Confident	5 Å²	5	73 Å²	73	3%	0.034	40%	0.399	C	S	.	.	S	Bend	trans	-89.9	122.9	175.3	-51.9	0	0	0	0	110.3	S140 R146 R148 C230	S140-C142 PolarHBondContact O-N 2.82Å; C142-R146 HydrophobicContact CB-CB 3.94Å; C142-R146 WeakPolarHBondContact CB-O 3.28Å; C142-R148 WeakPolarHBondContact SG-CG 3.37Å; C142-C230 WeakPolarHBondContact CA-SG 3.29Å; C142-C230 HydrophobicContact CB-CB 3.76Å; C142-C230 WeakPolarHBondContact CB-SG 3.42Å; C142-C230 WeakPolarHBondContact SG-CA 3.35Å; C142-C230 WeakPolarHBondContact SG-CB 3.44Å; C142-C230 CovalentContact SG-SG 2.03Å; C142-C230 PolarHBondContact SG-SG 2.92Å
143	Q	84.3	Confident	73.8	Confident	137 Å²	137	68.2 Å²	68.2	64%	0.64	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-64.5	129	169.3	-65.6	-64.1	-37.7	0	0	109.8	R146	Q143-R146 VanDerWaalsContact O-CB 3.26Å; Q143-R146 WeakPolarHBondContact O-CB 3.5Å; Q143-R146 PolarHBondContact O-N 3.07Å
144	P	84.2	Confident	75.6	Confident	104 Å²	104	66.9 Å²	66.9	68%	0.675	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	143.1	172.2	-26.5	35	0	0	0	111.5
145	P	89.3	Confident	77.6	Confident	90 Å²	90	70.6 Å²	70.6	58%	0.584	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.8	14.6	6.8	36.4	-37.3	0	0	0	114.4
146	R	91.6	Very high	79.9	Confident	111 Å²	111	65.6 Å²	65.6	42%	0.419	34%	0.336	S	S	.	.			trans	-70.6	141.7	-179.8	-67.2	176.9	174.5	-172.3	2.2	111.2	C142 Q143 C230 L231 R232	C142-R146 HydrophobicContact CB-CB 3.94Å; C142-R146 WeakPolarHBondContact CB-O 3.28Å; Q143-R146 VanDerWaalsContact O-CB 3.26Å; Q143-R146 WeakPolarHBondContact O-CB 3.5Å; Q143-R146 PolarHBondContact O-N 3.07Å; R146-C230 HydrophobicContact CB-CB 4.33Å; R146-L231 CarbonylContact C-O 3.6Å; R146-L231 VanDerWaalsContact CA-O 3.28Å; R146-L231 WeakPolarHBondContact CA-O 3.03Å; R146-R232 HydrophobicContact CB-CG 4.49Å; R146-R232 HydrophobicContact CG-CG 3.45Å; R146-R232 VanDerWaalsContact CG-CG 3.45Å
147	K	90.4	Very high	82.2	Confident	115 Å²	115	59.2 Å²	59.2	50%	0.5	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.8	175.4	-63.5	-178.6	-176.4	174.2	0	110	C230 L231 V234	K147-C230 WeakPolarHBondContact O-CA 3.44Å; K147-L231 PolarHBondContact N-O 2.97Å; K147-L231 PolarHBondContact O-N 3.28Å; K147-V234 HydrophobicContact CB-CG2 4.42Å
148	R	91	Very high	84.4	Confident	34 Å²	34	58 Å²	58	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.4	170	-67.1	172.4	63.7	121.8	5	108	S141 C142 C178 E179 C195 V228 K229	S141-R148 PolarHBondContact OG-NH1 2.99Å; C142-R148 WeakPolarHBondContact SG-CG 3.37Å; R148-C178 PolarHBondContact NH2-O 2.94Å; R148-E179 PolarHBondContact NE-O 3.44Å; R148-C195 PolarHBondContact NH2-O 2.85Å; R148-V228 HydrophobicContact CB-CG1 3.89Å; R148-V228 HydrophobicContact CG-CG1 4.19Å; R148-K229 CarbonylContact C-O 3.47Å; R148-K229 WeakPolarHBondContact CA-O 3.47Å
149	K	91.5	Very high	86	Confident	4 Å²	4	56 Å²	56	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135	174.9	-166.9	57	174.3	174.6	0	110.8	E179 K229 L231 V234 C237 Y239 F241	K149-E179 IonicContact NZ-OE1 3.89Å; K149-K229 PolarHBondContact N-O 2.96Å; K149-K229 PolarHBondContact O-N 3.25Å; K149-L231 HydrophobicContact CB-CD1 4.17Å; K149-V234 HydrophobicContact CB-CG1 4.29Å; K149-V234 HydrophobicContact CD-CG1 3.89Å; K149-V234 HydrophobicContact CG-CG1 3.95Å; K149-C237 PolarHBondContact NZ-O 3.37Å; K149-Y239 VanDerWaalsContact CE-O 3.28Å; K149-Y239 WeakPolarHBondContact CE-O 3.36Å; K149-Y239 PolarHBondContact NZ-O 2.95Å; K149-F241 HydrophobicContact CG-CD2 3.65Å; K149-F241 HydrophobicContact CG-CE2 3.61Å; K149-F241 HydrophobicContact CG-CG 4.24Å; K149-F241 HydrophobicContact CG-CZ 4.17Å
150	M	92.3	Very high	87.2	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.4	179	-169.1	71.4	78.1	0	0	111	T152 L175 C178 E179 A198 G226 V227 V228 P240 F241	M150-T152 HydrophobicContact CB-CG2 4.48Å; M150-T152 HydrophobicContact CG-CG2 3.54Å; M150-L175 WeakPolarHBondContact CE-O 3.33Å; M150-C178 HydrophobicContact CE-CB 3.7Å; M150-E179 WeakPolarHBondContact CA-OE2 3.28Å; M150-E179 HydrophobicContact CB-CB 4.34Å; M150-E179 HydrophobicContact CB-CG 4.42Å; M150-E179 WeakPolarHBondContact CB-OE2 3.5Å; M150-E179 HydrophobicContact CE-CB 4.2Å; M150-E179 PolarHBondContact N-OE2 3.08Å; M150-A198 HydrophobicContact CE-CB 4.3Å; M150-G226 WeakPolarHBondContact SD-CA 3.08Å; M150-V227 WeakPolarHBondContact CA-O 3.3Å; M150-V227 PolarHBondContact SD-N 3.28Å; M150-V228 HydrophobicContact CE-CG2 3.5Å; M150-V228 HydrophobicContact SD-CG2 3.77Å; M150-P240 HydrophobicContact CB-CB 3.95Å; M150-P240 HydrophobicContact CG-CB 4.24Å; M150-F241 PolarHBondContact O-N 2.93Å
151	L	94.1	Very high	87.9	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.3	165.9	-82.3	63.2	0	0	0	107.9	G226 V227 K229 L231 F241 V243 L262 V266	L151-G226 CarbonylContact O-C 3.51Å; L151-G226 WeakPolarHBondContact O-CA 3.15Å; L151-V227 HydrophobicContact CB-CG2 3.99Å; L151-V227 PolarHBondContact N-O 3.01Å; L151-V227 PolarHBondContact O-N 3.37Å; L151-K229 HydrophobicContact CD1-CB 4.11Å; L151-K229 HydrophobicContact CD1-CG 3.92Å; L151-K229 HydrophobicContact CD2-CG 4.19Å; L151-L231 HydrophobicContact CD1-CD1 4.2Å; L151-F241 CarbonylContact C-O 3.57Å; L151-F241 WeakPolarHBondContact CA-O 3.47Å; L151-F241 HydrophobicContact CD1-CD2 4.3Å; L151-F241 HydrophobicContact CG-CB 4.47Å; L151-V243 HydrophobicContact CB-CG2 3.96Å; L151-V243 HydrophobicContact CD2-CG2 4.16Å; L151-V243 HydrophobicContact CG-CG2 4.13Å; L151-L262 HydrophobicContact CD2-CD2 4.28Å; L151-L262 HydrophobicContact CD2-CG 4.45Å; L151-V266 HydrophobicContact CD2-CG2 4.31Å
152	T	93.8	Very high	88.3	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.9	-171.5	55.4	0	0	0	0	112.4	M150 L175 V225 P240 F241 R242 V243	M150-T152 HydrophobicContact CB-CG2 4.48Å; M150-T152 HydrophobicContact CG-CG2 3.54Å; T152-L175 HydrophobicContact CG2-CD1 3.75Å; T152-L175 HydrophobicContact CG2-CD2 4.07Å; T152-L175 HydrophobicContact CG2-CG 4.42Å; T152-V225 CarbonylContact C-O 3.03Å; T152-V225 VanDerWaalsContact CA-O 3.28Å; T152-V225 WeakPolarHBondContact CA-O 3.32Å; T152-P240 HydrophobicContact CG2-CB 3.44Å; T152-P240 VanDerWaalsContact CG2-CB 3.44Å; T152-P240 HydrophobicContact CG2-CG 3.72Å; T152-F241 PolarHBondContact N-O 3.22Å; T152-F241 PolarHBondContact OG1-O 3.34Å; T152-F241 VanDerWaalsContact OG1-O 3.08Å; T152-R242 CarbonylContact O-C 3.54Å; T152-R242 WeakPolarHBondContact O-CA 3.5Å; T152-V243 PolarHBondContact O-N 2.95Å
153	V	93.6	Very high	88.4	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	168.7	-173	0	0	0	0	108.1	A156 L214 L217 A224 V225 V243	V153-A156 HydrophobicContact CB-CB 4.14Å; V153-A156 HydrophobicContact CG1-CB 3.59Å; V153-L214 HydrophobicContact CG2-CD1 4.24Å; V153-L214 HydrophobicContact CG2-CD2 3.93Å; V153-L217 HydrophobicContact CB-CD1 3.85Å; V153-L217 HydrophobicContact CG1-CD1 4.08Å; V153-L217 HydrophobicContact CG2-CD1 3.83Å; V153-A224 WeakPolarHBondContact O-CA 3.25Å; V153-V225 PolarHBondContact N-O 2.9Å; V153-V225 PolarHBondContact O-N 3.26Å; V153-V243 WeakPolarHBondContact CA-O 3.4Å; V153-V243 HydrophobicContact CG2-CB 3.9Å; V153-V243 HydrophobicContact CG2-CG1 4.07Å
154	E	90.9	Very high	88.6	Confident	73 Å²	73	51.4 Å²	51.4	34%	0.341	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	160.4	173	-66	-177	178.3	0	0	111	A156	E154-A156 PolarHBondContact O-N 3.34Å
155	E	91.7	Very high	88.8	Confident	99 Å²	99	49.7 Å²	49.7	46%	0.463	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53	36.3	-177.4	-56.6	-171.6	164	0	0	113.1	K219 M220 S223	E155-K219 CarbonylContact O-C 3.39Å; E155-K219 VanDerWaalsContact O-CA 3.28Å; E155-K219 WeakPolarHBondContact O-CA 3.48Å; E155-M220 CarbonylContact C-O 3.56Å; E155-M220 WeakPolarHBondContact CA-O 3.39Å; E155-M220 PolarHBondContact O-N 2.94Å; E155-S223 WeakPolarHBondContact CA-O 3.49Å; E155-S223 PolarHBondContact N-O 3.43Å
156	A	92.7	Very high	88.7	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.033	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.1	-176.2	0	0	0	0	0	111.7	V153 E154 L217 K218 S223 V225	V153-A156 HydrophobicContact CB-CB 4.14Å; V153-A156 HydrophobicContact CG1-CB 3.59Å; E154-A156 PolarHBondContact O-N 3.34Å; A156-L217 HydrophobicContact CB-CB 4.23Å; A156-L217 HydrophobicContact CB-CD1 4.11Å; A156-K218 CarbonylContact C-O 3.5Å; A156-K218 VanDerWaalsContact CA-O 3.29Å; A156-K218 WeakPolarHBondContact CA-O 3.34Å; A156-S223 PolarHBondContact N-OG 2.81Å; A156-S223 WeakPolarHBondContact O-CB 3.47Å; A156-S223 PolarHBondContact O-OG 2.94Å; A156-V225 WeakPolarHBondContact O-CG2 3.44Å
157	M	93.4	Very high	88	Confident	42 Å²	42	43.8 Å²	43.8	21%	0.207	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	161.4	171.4	68	152.5	179.3	0	0	110.5	M199 L217 K218 M220	M157-M199 HydrophobicContact CB-SD 3.96Å; M157-L217 WeakPolarHBondContact O-CA 3.45Å; M157-K218 HydrophobicContact CE-CB 4.14Å; M157-K218 HydrophobicContact CE-CD 4.16Å; M157-K218 HydrophobicContact CG-CB 4.24Å; M157-K218 PolarHBondContact N-O 2.73Å; M157-K218 PolarHBondContact O-N 3.45Å; M157-M220 HydrophobicContact CB-CB 4.04Å; M157-M220 HydrophobicContact CB-CE 4.48Å; M157-M220 HydrophobicContact CB-SD 3.84Å; M157-M220 HydrophobicContact CE-CE 3.7Å; M157-M220 HydrophobicContact CG-CB 3.79Å; M157-M220 HydrophobicContact CG-CE 3.96Å; M157-M220 HydrophobicContact CG-CG 4.49Å; M157-M220 HydrophobicContact CG-SD 3.94Å; M157-M220 HydrophobicContact SD-CE 3.15Å; M157-M220 WeakPolarHBondContact SD-CE 3.4Å; M157-M220 HydrophobicContact SD-SD 3.76Å
158	S	91.4	Very high	87.2	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.042	28%	0.276	C	S	.	.			trans	-124.2	146	167.6	-164.7	0	0	0	0	111.4	S160 M199 L212	S158-S160 PolarHBondContact OG-N 2.88Å; S158-S160 PolarHBondContact OG-O 3.41Å; S158-M199 PolarHBondContact N-SD 2.84Å; S158-M199 VanDerWaalsContact O-SD 3.41Å; S158-L212 WeakPolarHBondContact OG-CD1 3.3Å
159	T	83.2	Confident	86.6	Confident	104 Å²	104	43.7 Å²	43.7	64%	0.638	27%	0.273	S	S	*	.			trans	-99.5	3	170.8	58.6	0	0	0	0	112.6
160	S	79.7	Confident	86.4	Confident	73 Å²	73	47 Å²	47	51%	0.51	29%	0.292	S	S	.	.			trans	-158.1	144	-179.2	175.2	0	0	0	0	109.9	S158 L212	S158-S160 PolarHBondContact OG-N 2.88Å; S158-S160 PolarHBondContact OG-O 3.41Å; S160-L212 WeakPolarHBondContact O-CD1 3.35Å
161	P	71	Confident	86.2	Confident	25 Å²	25	50.3 Å²	50.3	16%	0.162	31%	0.308	C	S	.	.	S	Bend	cis	-76.1	-173.2	1.7	32.2	-35.8	0	0	0	112.8	F163 S210	P161-F163 WeakPolarHBondContact O-CD2 3.36Å; P161-F163 WeakPolarHBondContact O-CE2 3.28Å; P161-F163 PolarHBondContact O-N 3.17Å; P161-S210 VanDerWaalsContact CG-CB 3.41Å
162	A	78.7	Confident	85.9	Confident	84 Å²	84	53.4 Å²	53.4	69%	0.694	33%	0.334	S	S	*	.			trans	-60.3	118	175.5	0	0	0	0	0	110.5	S208	A162-S208 WeakPolarHBondContact O-CB 3.38Å; A162-S208 PolarHBondContact O-OG 3.3Å
163	F	87.7	Confident	85.7	Confident	31 Å²	31	57.5 Å²	57.5	14%	0.136	35%	0.353	C	S	.	.			trans	-97.8	141.5	171.9	-72	-95.4	0	0	0	110.1	P161 A197 M199 Q206 I207 L212	P161-F163 WeakPolarHBondContact O-CD2 3.36Å; P161-F163 WeakPolarHBondContact O-CE2 3.28Å; P161-F163 PolarHBondContact O-N 3.17Å; F163-A197 HydrophobicContact CE1-CB 4.08Å; F163-A197 HydrophobicContact CZ-CB 4.25Å; F163-M199 HydrophobicContact CD1-CB 4.06Å; F163-M199 HydrophobicContact CD2-CE 4.12Å; F163-M199 HydrophobicContact CE1-CB 3.74Å; F163-M199 HydrophobicContact CE2-CE 4.4Å; F163-M199 HydrophobicContact CG-CE 4.31Å; F163-M199 HydrophobicContact CZ-CB 4.11Å; F163-Q206 HydrophobicContact CB-CB 3.62Å; F163-Q206 HydrophobicContact CD1-CB 4.18Å; F163-Q206 HydrophobicContact CG-CB 4.23Å; F163-I207 CarbonylContact C-O 3.5Å; F163-I207 WeakPolarHBondContact CA-O 3.39Å; F163-L212 HydrophobicContact CZ-CD2 4.18Å
164	V	87.6	Confident	85.6	Confident	67 Å²	67	57.2 Å²	57.2	41%	0.406	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.2	175.5	-175.6	0	0	0	0	108.3	L166 L191 Q206 I207	V164-L166 PolarHBondContact O-N 2.86Å; V164-L191 HydrophobicContact CB-CD2 4.13Å; V164-L191 HydrophobicContact CG2-CD2 4.12Å; V164-Q206 CarbonylContact O-C 3.56Å; V164-Q206 VanDerWaalsContact O-CA 3.29Å; V164-Q206 WeakPolarHBondContact O-CA 3.38Å; V164-I207 PolarHBondContact N-O 3.49Å; V164-I207 PolarHBondContact O-N 2.93Å
165	P	89.4	Confident	85.6	Confident	67 Å²	67	54.3 Å²	54.3	44%	0.435	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.3	174.6	-21.2	32.4	0	0	0	111.3
166	L	85.8	Confident	85.5	Confident	41 Å²	41	54.8 Å²	54.8	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-18.2	171.7	-172.8	58	0	0	0	112.2	V164 A177 L189 C205 I207	V164-L166 PolarHBondContact O-N 2.86Å; L166-A177 HydrophobicContact CD2-CB 3.73Å; L166-L189 HydrophobicContact CD1-CD2 3.66Å; L166-L189 HydrophobicContact CD2-CD2 3.95Å; L166-L189 HydrophobicContact CG-CD2 4.47Å; L166-C205 HydrophobicContact CB-CB 4.44Å; L166-C205 PolarHBondContact N-O 3.47Å; L166-I207 HydrophobicContact CB-CD1 4.15Å; L166-I207 HydrophobicContact CB-CG1 4.18Å; L166-I207 HydrophobicContact CB-CG2 4.46Å; L166-I207 HydrophobicContact CD1-CD1 3.81Å; L166-I207 HydrophobicContact CD2-CD1 4.19Å; L166-I207 HydrophobicContact CD2-CG2 4.17Å; L166-I207 HydrophobicContact CG-CD1 4.26Å
167	G	78.1	Confident	85.4	Confident	37 Å²	37	54.9 Å²	54.9	38%	0.381	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-164.9	-179.5	0	0	0	0	0	113.3	H169	G167-H169 PolarHBondContact O-N 3.44Å
168	S	72.6	Confident	85.4	Confident	128 Å²	128	52.9 Å²	52.9	90%	0.895	33%	0.329	S	S	*	.	S	Bend	trans	-79.2	78.9	-176.7	-57.6	0	0	0	0	111.7
169	H	78.7	Confident	85.4	Confident	18 Å²	18	54.2 Å²	54.2	8%	0.083	34%	0.335	C	S	.	.			trans	-106.9	145.5	169.6	-69.7	-80	0	0	0	109.7	G167 E173 C174 Y200 C205	G167-H169 PolarHBondContact O-N 3.44Å; H169-E173 HydrophobicContact CB-CB 3.95Å; H169-E173 IonicContact ND1-OE2 2.69Å; H169-E173 PolarHBondContact ND1-OE2 2.96Å; H169-C174 HydrophobicContact CB-CB 4.29Å; H169-Y200 WeakPolarHBondContact O-CE2 3.46Å; H169-C205 HydrophobicContact CB-CB 3.87Å
170	N	88.1	Confident	85.7	Confident	75 Å²	75	53.8 Å²	53.8	40%	0.401	33%	0.326	S	S	.	.			trans	-69.8	169.4	165	66.1	52	0	0	0	110.6	A172 E173 C174	N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 3.25Å; N170-A172 PolarHBondContact OD1-N 3.15Å; N170-A172 VanDerWaalsContact OD1-N 3.13Å; N170-E173 PolarHBondContact N-OE2 2.89Å; N170-E173 PolarHBondContact ND2-OE1 3.4Å; N170-E173 PolarHBondContact O-N 3.15Å; N170-E173 WeakPolarHBondContact OD1-CG 3.15Å; N170-E173 PolarHBondContact OD1-N 3.08Å; N170-C174 WeakPolarHBondContact O-CB 3.34Å; N170-C174 PolarHBondContact O-N 2.91Å
171	M	88.7	Confident	86.2	Confident	68 Å²	68	50.6 Å²	50.6	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-54	-44.3	-177.4	-175.1	173.8	72.2	0	0	113.4	C174 L175 Y200 A224	M171-C174 PolarHBondContact O-N 2.83Å; M171-L175 HydrophobicContact CG-CD1 4.19Å; M171-L175 VanDerWaalsContact O-CG 3.3Å; M171-L175 WeakPolarHBondContact O-CG 3.03Å; M171-L175 PolarHBondContact O-N 3Å; M171-Y200 HydrophobicContact CB-CD1 3.72Å; M171-Y200 HydrophobicContact CB-CD2 4.4Å; M171-Y200 HydrophobicContact CB-CE1 4.1Å; M171-Y200 HydrophobicContact CB-CG 3.86Å; M171-Y200 HydrophobicContact CG-CD1 4.06Å; M171-Y200 HydrophobicContact CG-CG 4.17Å; M171-Y200 HydrophobicContact SD-CD1 4.5Å; M171-A224 HydrophobicContact CG-CB 3.96Å; M171-A224 HydrophobicContact SD-CB 3.49Å; M171-A224 WeakPolarHBondContact SD-CB 3.49Å
172	A	87.5	Confident	87.1	Confident	68 Å²	68	53.9 Å²	53.9	56%	0.562	31%	0.312	S	S	*	.	H	α-helix	trans	-68.3	-44	-177.5	0	0	0	0	0	111.9	N170 C174 L175 K176	N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 3.25Å; N170-A172 PolarHBondContact OD1-N 3.15Å; N170-A172 VanDerWaalsContact OD1-N 3.13Å; A172-C174 VanDerWaalsContact C-N 3.34Å; A172-C174 PolarHBondContact O-N 3.42Å; A172-L175 PolarHBondContact O-N 3.23Å; A172-K176 VanDerWaalsContact O-CB 3.3Å; A172-K176 WeakPolarHBondContact O-CB 3.27Å; A172-K176 PolarHBondContact O-N 2.86Å
173	E	89	Confident	87.2	Confident	91 Å²	91	51.9 Å²	51.9	43%	0.425	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-41	175.5	-73.8	167.6	-162.3	0	0	112	H169 N170 L175 K176 A177	H169-E173 HydrophobicContact CB-CB 3.95Å; H169-E173 IonicContact ND1-OE2 2.69Å; H169-E173 PolarHBondContact ND1-OE2 2.96Å; N170-E173 PolarHBondContact N-OE2 2.89Å; N170-E173 PolarHBondContact ND2-OE1 3.4Å; N170-E173 PolarHBondContact O-N 3.15Å; N170-E173 WeakPolarHBondContact OD1-CG 3.15Å; N170-E173 PolarHBondContact OD1-N 3.08Å; E173-L175 PolarHBondContact O-N 3.31Å; E173-K176 PolarHBondContact O-N 3.2Å; E173-A177 VanDerWaalsContact O-CB 3.24Å; E173-A177 WeakPolarHBondContact O-CB 3.39Å; E173-A177 PolarHBondContact O-N 3.28Å
174	C	91.4	Very high	86.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-48.2	179.1	-172.2	0	0	0	0	112.1	H169 N170 M171 A172 C178 C205	H169-C174 HydrophobicContact CB-CB 4.29Å; N170-C174 WeakPolarHBondContact O-CB 3.34Å; N170-C174 PolarHBondContact O-N 2.91Å; M171-C174 PolarHBondContact O-N 2.83Å; A172-C174 VanDerWaalsContact C-N 3.34Å; A172-C174 PolarHBondContact O-N 3.42Å; C174-C178 PolarHBondContact O-N 3.32Å; C174-C205 WeakPolarHBondContact CA-SG 3.44Å; C174-C205 HydrophobicContact CB-CB 3.64Å; C174-C205 WeakPolarHBondContact CB-SG 3.09Å; C174-C205 WeakPolarHBondContact SG-CA 3.4Å; C174-C205 WeakPolarHBondContact SG-CB 3.13Å; C174-C205 CovalentContact SG-SG 2.03Å; C174-C205 PolarHBondContact SG-SG 3Å
175	L	91.6	Very high	86.5	Confident	13 Å²	13	60.4 Å²	60.4	7%	0.068	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-42.6	-179.7	-64.3	170.2	0	0	0	111.2	M150 T152 M171 A172 E173 C178 E179 A198	M150-L175 WeakPolarHBondContact CE-O 3.33Å; T152-L175 HydrophobicContact CG2-CD1 3.75Å; T152-L175 HydrophobicContact CG2-CD2 4.07Å; T152-L175 HydrophobicContact CG2-CG 4.42Å; M171-L175 HydrophobicContact CG-CD1 4.19Å; M171-L175 VanDerWaalsContact O-CG 3.3Å; M171-L175 WeakPolarHBondContact O-CG 3.03Å; M171-L175 PolarHBondContact O-N 3Å; A172-L175 PolarHBondContact O-N 3.23Å; E173-L175 PolarHBondContact O-N 3.31Å; L175-C178 PolarHBondContact O-N 3.33Å; L175-E179 PolarHBondContact O-N 3.21Å; L175-A198 HydrophobicContact CD2-CB 4.04Å
176	K	89.7	Confident	86	Confident	108 Å²	108	58.8 Å²	58.8	47%	0.47	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-44.8	177.1	-175.1	-179.2	177.3	-172.2	0	111.9	A172 E173 C178 E179 E180	A172-K176 VanDerWaalsContact O-CB 3.3Å; A172-K176 WeakPolarHBondContact O-CB 3.27Å; A172-K176 PolarHBondContact O-N 2.86Å; E173-K176 PolarHBondContact O-N 3.2Å; K176-C178 VanDerWaalsContact C-N 3.27Å; K176-C178 PolarHBondContact O-N 2.83Å; K176-E179 PolarHBondContact O-N 2.81Å; K176-E179 VanDerWaalsContact O-N 3.13Å; K176-E180 WeakPolarHBondContact CE-OE1 3.42Å; K176-E180 VanDerWaalsContact CE-OE2 3.28Å; K176-E180 WeakPolarHBondContact CE-OE2 3.47Å; K176-E180 HydrophobicContact CG-CG 4.31Å; K176-E180 IonicContact NZ-OE1 3.73Å; K176-E180 PolarHBondContact O-N 3.13Å
177	A	90.9	Very high	85.8	Confident	7 Å²	7	61 Å²	61	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-56	-43.8	179.5	0	0	0	0	0	111.7	L166 E173 N181 R182 L189	L166-A177 HydrophobicContact CD2-CB 3.73Å; E173-A177 VanDerWaalsContact O-CB 3.24Å; E173-A177 WeakPolarHBondContact O-CB 3.39Å; E173-A177 PolarHBondContact O-N 3.28Å; A177-N181 CarbonylContact O-C 3.52Å; A177-N181 VanDerWaalsContact O-CA 3.25Å; A177-N181 WeakPolarHBondContact O-CA 3.29Å; A177-N181 PolarHBondContact O-N 3.17Å; A177-R182 CarbonylContact C-O 3.04Å; A177-R182 WeakPolarHBondContact CA-O 2.87Å; A177-R182 WeakPolarHBondContact CB-O 3.5Å; A177-R182 PolarHBondContact O-N 2.77Å; A177-L189 WeakPolarHBondContact O-CD1 3.37Å
178	C	92.8	Very high	86	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-71.4	-39.6	176.1	-175.5	0	0	0	0	113.5	R148 M150 C174 L175 K176 E180 N181 C195 A198 I207	R148-C178 PolarHBondContact NH2-O 2.94Å; M150-C178 HydrophobicContact CE-CB 3.7Å; C174-C178 PolarHBondContact O-N 3.32Å; L175-C178 PolarHBondContact O-N 3.33Å; K176-C178 VanDerWaalsContact C-N 3.27Å; K176-C178 PolarHBondContact O-N 2.83Å; C178-E180 VanDerWaalsContact C-N 3.34Å; C178-E180 PolarHBondContact O-N 2.76Å; C178-N181 PolarHBondContact O-N 3.27Å; C178-C195 VanDerWaalsContact CA-SG 3.59Å; C178-C195 HydrophobicContact CB-CB 3.94Å; C178-C195 WeakPolarHBondContact CB-SG 3.23Å; C178-C195 WeakPolarHBondContact SG-CB 3.15Å; C178-C195 CovalentContact SG-SG 2.03Å; C178-C195 PolarHBondContact SG-SG 2.93Å; C178-A198 HydrophobicContact CB-CB 3.63Å; C178-I207 HydrophobicContact CB-CG2 4.22Å
179	E	91.2	Very high	86.6	Confident	34 Å²	34	55.8 Å²	55.8	16%	0.159	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-46.3	176.4	-173.7	170.4	130.1	0	0	110.9	R148 K149 M150 L175 K176 N181	R148-E179 PolarHBondContact NE-O 3.44Å; K149-E179 IonicContact NZ-OE1 3.89Å; M150-E179 WeakPolarHBondContact CA-OE2 3.28Å; M150-E179 HydrophobicContact CB-CB 4.34Å; M150-E179 HydrophobicContact CB-CG 4.42Å; M150-E179 WeakPolarHBondContact CB-OE2 3.5Å; M150-E179 HydrophobicContact CE-CB 4.2Å; M150-E179 PolarHBondContact N-OE2 3.08Å; L175-E179 PolarHBondContact O-N 3.21Å; K176-E179 PolarHBondContact O-N 2.81Å; K176-E179 VanDerWaalsContact O-N 3.13Å; E179-N181 VanDerWaalsContact C-N 3.35Å
180	E	89.4	Confident	86.7	Confident	95 Å²	95	57.1 Å²	57.1	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-84.3	-10	-178.7	-64.7	-179.3	171	0	0	113.5	K176 C178 R182	K176-E180 WeakPolarHBondContact CE-OE1 3.42Å; K176-E180 VanDerWaalsContact CE-OE2 3.28Å; K176-E180 WeakPolarHBondContact CE-OE2 3.47Å; K176-E180 HydrophobicContact CG-CG 4.31Å; K176-E180 IonicContact NZ-OE1 3.73Å; K176-E180 PolarHBondContact O-N 3.13Å; C178-E180 VanDerWaalsContact C-N 3.34Å; C178-E180 PolarHBondContact O-N 2.76Å; E180-R182 PolarHBondContact O-N 2.88Å
181	N	90.9	Very high	86.2	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.032	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	36	-172.3	-157.1	61.5	0	0	0	113.4	A177 C178 E179 L189 V194 C195	A177-N181 CarbonylContact O-C 3.52Å; A177-N181 VanDerWaalsContact O-CA 3.25Å; A177-N181 WeakPolarHBondContact O-CA 3.29Å; A177-N181 PolarHBondContact O-N 3.17Å; C178-N181 PolarHBondContact O-N 3.27Å; E179-N181 VanDerWaalsContact C-N 3.35Å; N181-L189 PolarHBondContact O-N 2.64Å; N181-V194 WeakPolarHBondContact OD1-CA 3.4Å; N181-C195 WeakPolarHBondContact OD1-CB 3.28Å; N181-C195 PolarHBondContact OD1-N 2.66Å
182	R	88.5	Confident	85.5	Confident	93 Å²	93	53.6 Å²	53.6	35%	0.351	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-135.4	147	-178.1	-68.2	-180	-174.1	-89	1.9	112	A177 E180 G186 N187	A177-R182 CarbonylContact C-O 3.04Å; A177-R182 WeakPolarHBondContact CA-O 2.87Å; A177-R182 WeakPolarHBondContact CB-O 3.5Å; A177-R182 PolarHBondContact O-N 2.77Å; E180-R182 PolarHBondContact O-N 2.88Å; R182-G186 PolarHBondContact NH1-O 3.36Å; R182-N187 CarbonylContact C-O 3.53Å; R182-N187 WeakPolarHBondContact CA-O 3.47Å
183	D	81.8	Confident	85.3	Confident	43 Å²	43	53.6 Å²	53.6	23%	0.23	29%	0.292	C	S	.	.			trans	-76.9	178.7	167.6	68.2	19.3	0	0	0	111.5	D185 G186 N187 L189	D183-D185 PolarHBondContact O-N 3.11Å; D183-D185 WeakPolarHBondContact OD1-CA 3.3Å; D183-D185 WeakPolarHBondContact OD1-CB 2.96Å; D183-D185 PolarHBondContact OD1-N 2.99Å; D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 PolarHBondContact OD1-N 3.15Å; D183-N187 PolarHBondContact N-O 2.65Å; D183-N187 PolarHBondContact OD1-N 2.87Å; D183-N187 PolarHBondContact OD1-ND2 3.35Å; D183-N187 WeakPolarHBondContact OD2-CB 3.48Å; D183-N187 PolarHBondContact OD2-ND2 2.84Å; D183-L189 HydrophobicContact CB-CD2 4.31Å
184	K	79.9	Confident	85.2	Confident	163 Å²	163	49.5 Å²	49.5	71%	0.709	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25	177.9	59.9	178.2	-175.4	178	0	114.1	G186	K184-G186 VanDerWaalsContact C-N 3.29Å
185	D	80.3	Confident	85.3	Confident	114 Å²	114	49.6 Å²	49.6	61%	0.61	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	0.7	-178.2	-57.1	-54.2	0	0	0	110.9	D183 N187	D183-D185 PolarHBondContact O-N 3.11Å; D183-D185 WeakPolarHBondContact OD1-CA 3.3Å; D183-D185 WeakPolarHBondContact OD1-CB 2.96Å; D183-D185 PolarHBondContact OD1-N 2.99Å; D185-N187 WeakPolarHBondContact CB-ND2 3.31Å
186	G	79.7	Confident	85.4	Confident	32 Å²	32	53.8 Å²	53.8	33%	0.33	29%	0.289	S	S	.	.	S	Bend	trans	84.2	4	179.2	0	0	0	0	0	114.3	R182 D183 K184	R182-G186 PolarHBondContact NH1-O 3.36Å; D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 PolarHBondContact OD1-N 3.15Å; K184-G186 VanDerWaalsContact C-N 3.29Å
187	N	81	Confident	85.6	Confident	88 Å²	88	48.7 Å²	48.7	47%	0.471	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-78.1	155.2	177.8	-50.3	-67.1	0	0	0	111	R182 D183 D185	R182-N187 CarbonylContact C-O 3.53Å; R182-N187 WeakPolarHBondContact CA-O 3.47Å; D183-N187 PolarHBondContact N-O 2.65Å; D183-N187 PolarHBondContact OD1-N 2.87Å; D183-N187 PolarHBondContact OD1-ND2 3.35Å; D183-N187 WeakPolarHBondContact OD2-CB 3.48Å; D183-N187 PolarHBondContact OD2-ND2 2.84Å; D185-N187 WeakPolarHBondContact CB-ND2 3.31Å
188	A	83.4	Confident	85.8	Confident	47 Å²	47	48.3 Å²	48.3	39%	0.388	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-63.8	142	173.6	0	0	0	0	0	111.3	P137	P137-A188 HydrophobicContact CG-CB 3.96Å
189	L	85	Confident	85.9	Confident	9 Å²	9	48.9 Å²	48.9	5%	0.047	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-62.9	138.7	177.2	-62.1	175	0	0	0	111.9	L166 A177 N181 D183 L191 C195 I207	L166-L189 HydrophobicContact CD1-CD2 3.66Å; L166-L189 HydrophobicContact CD2-CD2 3.95Å; L166-L189 HydrophobicContact CG-CD2 4.47Å; A177-L189 WeakPolarHBondContact O-CD1 3.37Å; N181-L189 PolarHBondContact O-N 2.64Å; D183-L189 HydrophobicContact CB-CD2 4.31Å; L189-L191 HydrophobicContact CB-CG 4.33Å; L189-L191 PolarHBondContact O-N 3.42Å; L189-C195 HydrophobicContact CD1-CB 3.72Å; L189-I207 HydrophobicContact CB-CD1 4.24Å; L189-I207 HydrophobicContact CD1-CD1 3.92Å; L189-I207 HydrophobicContact CD2-CD1 4.09Å; L189-I207 HydrophobicContact CG-CD1 4.31Å
190	A	79.8	Confident	86	Confident	45 Å²	45	48.7 Å²	48.7	37%	0.372	27%	0.265	S	S	.	.	S	Bend	trans	-77.8	54	-178.8	0	0	0	0	0	113.4	E72	E72-A190 WeakPolarHBondContact OE2-CB 3.42Å
191	L	79	Confident	86.1	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.115	25%	0.249	C	C	.	.	S	Bend	trans	-109.2	-6.6	-171.5	-80.2	-172.9	0	0	0	116.2	V164 L189 D193 C195 I207 P209	V164-L191 HydrophobicContact CB-CD2 4.13Å; V164-L191 HydrophobicContact CG2-CD2 4.12Å; L189-L191 HydrophobicContact CB-CG 4.33Å; L189-L191 PolarHBondContact O-N 3.42Å; L191-D193 WeakPolarHBondContact CB-O 3.14Å; L191-D193 PolarHBondContact O-N 2.79Å; L191-D193 VanDerWaalsContact O-N 3.08Å; L191-C195 HydrophobicContact CD1-CB 3.72Å; L191-I207 HydrophobicContact CD1-CB 4.31Å; L191-I207 HydrophobicContact CD1-CD1 3.77Å; L191-I207 HydrophobicContact CD1-CG1 4.13Å; L191-I207 HydrophobicContact CD2-CD1 3.88Å; L191-I207 HydrophobicContact CD2-CG1 3.94Å; L191-I207 HydrophobicContact CG-CD1 3.73Å; L191-I207 HydrophobicContact CG-CG1 4.25Å; L191-P209 HydrophobicContact CB-CB 4.45Å; L191-P209 HydrophobicContact CD1-CB 4.48Å
192	G	73.8	Confident	86	Confident	48 Å²	48	52 Å²	52	50%	0.495	28%	0.282	S	S	.	.	S	Bend	trans	81.2	-32.6	-171.6	0	0	0	0	0	113.8	N44	N44-G192 WeakPolarHBondContact OD1-CA 3.24Å; N44-G192 PolarHBondContact OD1-N 3.33Å
193	D	82.2	Confident	86.1	Confident	67 Å²	67	53.6 Å²	53.6	36%	0.358	30%	0.297	S	S	.	.	S	Bend	trans	-140.5	-179.7	-179.9	-167.8	10.7	0	0	0	109.4	L191 R196 P209	L191-D193 WeakPolarHBondContact CB-O 3.14Å; L191-D193 PolarHBondContact O-N 2.79Å; L191-D193 VanDerWaalsContact O-N 3.08Å; D193-R196 IonicContact OD2-CZ 3.55Å; D193-R196 IonicContact OD2-NH2 3.34Å; D193-R196 PolarHBondContact OD2-NH2 3.3Å; D193-P209 HydrophobicContact CB-CB 3.95Å
194	V	88.2	Confident	86.5	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.036	31%	0.309	C	S	.	.			trans	-66	139.1	173.6	-67.3	0	0	0	0	111.8	N181 R196 P209	N181-V194 WeakPolarHBondContact OD1-CA 3.4Å; V194-R196 HydrophobicContact CG2-CG 4.44Å; V194-R196 PolarHBondContact O-N 2.91Å; V194-P209 WeakPolarHBondContact O-CA 3.29Å
195	C	92.1	Very high	87.1	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	28%	0.276	C	S	.	.			trans	-61.1	131.2	170.6	-167.5	0	0	0	0	110.4	R148 C178 N181 L189 L191 A197	R148-C195 PolarHBondContact NH2-O 2.85Å; C178-C195 VanDerWaalsContact CA-SG 3.59Å; C178-C195 HydrophobicContact CB-CB 3.94Å; C178-C195 WeakPolarHBondContact CB-SG 3.23Å; C178-C195 WeakPolarHBondContact SG-CB 3.15Å; C178-C195 CovalentContact SG-SG 2.03Å; C178-C195 PolarHBondContact SG-SG 2.93Å; N181-C195 WeakPolarHBondContact OD1-CB 3.28Å; N181-C195 PolarHBondContact OD1-N 2.66Å; L189-C195 HydrophobicContact CD1-CB 3.72Å; L191-C195 HydrophobicContact CD1-CB 3.72Å; C195-A197 PolarHBondContact SG-O 2.85Å
196	R	93.8	Very high	87.7	Confident	102 Å²	102	45.5 Å²	45.5	39%	0.385	26%	0.257	S	S	.	.			trans	-119	-22.6	177.9	-60.8	-170.1	-163	-176	5	112.6	D193 V194 S208 P209 V227 V228	D193-R196 IonicContact OD2-CZ 3.55Å; D193-R196 IonicContact OD2-NH2 3.34Å; D193-R196 PolarHBondContact OD2-NH2 3.3Å; V194-R196 HydrophobicContact CG2-CG 4.44Å; V194-R196 PolarHBondContact O-N 2.91Å; R196-S208 PolarHBondContact N-O 3.48Å; R196-P209 WeakPolarHBondContact CD-O 3.42Å; R196-P209 VanDerWaalsContact CG-O 3.23Å; R196-P209 WeakPolarHBondContact CG-O 3.3Å; R196-P209 PolarHBondContact NE-O 3.47Å; R196-V227 WeakPolarHBondContact O-CA 3.42Å; R196-V228 PolarHBondContact O-N 2.57Å
197	A	94.6	Very high	88.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.9	175.7	0	0	0	0	0	111.6	F163 C195 I207 S208 L212 G226 V227	F163-A197 HydrophobicContact CE1-CB 4.08Å; F163-A197 HydrophobicContact CZ-CB 4.25Å; C195-A197 PolarHBondContact SG-O 2.85Å; A197-I207 CarbonylContact O-C 3.51Å; A197-I207 WeakPolarHBondContact O-CA 2.96Å; A197-S208 PolarHBondContact N-O 3.13Å; A197-S208 VanDerWaalsContact N-O 3.07Å; A197-S208 PolarHBondContact O-N 2.99Å; A197-L212 HydrophobicContact CB-CB 3.86Å; A197-L212 HydrophobicContact CB-CD2 4.28Å; A197-G226 CarbonylContact C-O 3.58Å; A197-G226 VanDerWaalsContact CA-O 3.23Å; A197-G226 WeakPolarHBondContact CA-O 3.42Å; A197-V227 HydrophobicContact CB-CG1 4.42Å
198	A	94.6	Very high	88.9	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.9	172.7	0	0	0	0	0	109.8	M150 L175 C178 Q206 I207 V225 G226	M150-A198 HydrophobicContact CE-CB 4.3Å; L175-A198 HydrophobicContact CD2-CB 4.04Å; C178-A198 HydrophobicContact CB-CB 3.63Å; A198-Q206 CarbonylContact C-O 3.56Å; A198-Q206 WeakPolarHBondContact CA-O 3.03Å; A198-I207 HydrophobicContact CB-CG2 4.2Å; A198-V225 CarbonylContact O-C 3.51Å; A198-V225 WeakPolarHBondContact O-CA 3.01Å; A198-G226 PolarHBondContact N-O 3.31Å; A198-G226 PolarHBondContact O-N 3.1Å
199	M	94.2	Very high	89.2	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.5	176.3	-178.2	170.6	65.7	0	0	109.1	M157 S158 F163 A201 Q206 A224 V225	M157-M199 HydrophobicContact CB-SD 3.96Å; S158-M199 PolarHBondContact N-SD 2.84Å; S158-M199 VanDerWaalsContact O-SD 3.41Å; F163-M199 HydrophobicContact CD1-CB 4.06Å; F163-M199 HydrophobicContact CD2-CE 4.12Å; F163-M199 HydrophobicContact CE1-CB 3.74Å; F163-M199 HydrophobicContact CE2-CE 4.4Å; F163-M199 HydrophobicContact CG-CE 4.31Å; F163-M199 HydrophobicContact CZ-CB 4.11Å; M199-A201 HydrophobicContact CG-CB 4.2Å; M199-A201 HydrophobicContact SD-CB 4.46Å; M199-Q206 PolarHBondContact N-O 3.41Å; M199-Q206 PolarHBondContact O-N 2.8Å; M199-A224 CarbonylContact C-O 3.56Å; M199-A224 WeakPolarHBondContact CA-O 3.5Å; M199-V225 HydrophobicContact CB-CG2 4.21Å; M199-V225 HydrophobicContact CG-CG2 3.83Å; M199-V225 HydrophobicContact SD-CG2 4.12Å
200	Y	93.6	Very high	89.4	Confident	30 Å²	30	41.1 Å²	41.1	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.7	167	-177.4	-96.7	0	0	0	107.9	H169 M171 N203 Q204 S223 A224	H169-Y200 WeakPolarHBondContact O-CE2 3.46Å; M171-Y200 HydrophobicContact CB-CD1 3.72Å; M171-Y200 HydrophobicContact CB-CD2 4.4Å; M171-Y200 HydrophobicContact CB-CE1 4.1Å; M171-Y200 HydrophobicContact CB-CG 3.86Å; M171-Y200 HydrophobicContact CG-CD1 4.06Å; M171-Y200 HydrophobicContact CG-CG 4.17Å; M171-Y200 HydrophobicContact SD-CD1 4.5Å; Y200-N203 WeakPolarHBondContact OH-CA 3.14Å; Y200-N203 PolarHBondContact OH-OD1 3.48Å; Y200-Q204 WeakPolarHBondContact CA-O 3.42Å; Y200-S223 CarbonylContact O-C 3.55Å; Y200-S223 WeakPolarHBondContact O-CA 3.03Å; Y200-S223 WeakPolarHBondContact O-CB 3.43Å; Y200-A224 PolarHBondContact N-O 2.86Å; Y200-A224 PolarHBondContact O-N 2.86Å
201	A	92.2	Very high	89.7	Confident	13 Å²	13	43.3 Å²	43.3	11%	0.107	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.8	178.4	0	0	0	0	0	109.1	M199 N203 Q204 M220	M199-A201 HydrophobicContact CG-CB 4.2Å; M199-A201 HydrophobicContact SD-CB 4.46Å; A201-N203 PolarHBondContact O-N 3.2Å; A201-N203 VanDerWaalsContact O-N 3.15Å; A201-Q204 PolarHBondContact N-O 3.46Å; A201-Q204 VanDerWaalsContact N-O 3.1Å; A201-Q204 PolarHBondContact O-N 2.85Å; A201-M220 HydrophobicContact CB-SD 4Å
202	Q	89.2	Confident	90.3	Very high	158 Å²	158	43.2 Å²	43.2	74%	0.738	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.6	177.2	-56.8	178	-27.1	0	0	113.6	Q204	Q202-Q204 PolarHBondContact O-N 2.79Å
203	N	89.2	Confident	90.9	Very high	125 Å²	125	43.7 Å²	43.7	67%	0.668	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	23.1	-175.2	-62	-29.2	0	0	0	115.7	Y200 A201	Y200-N203 WeakPolarHBondContact OH-CA 3.14Å; Y200-N203 PolarHBondContact OH-OD1 3.48Å; A201-N203 PolarHBondContact O-N 3.2Å; A201-N203 VanDerWaalsContact O-N 3.15Å
204	Q	91.1	Very high	91.2	Very high	102 Å²	102	41.1 Å²	41.1	48%	0.477	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.4	175	-63.1	-169.7	-8	0	0	110.5	Y200 A201 Q202	Y200-Q204 WeakPolarHBondContact CA-O 3.42Å; A201-Q204 PolarHBondContact N-O 3.46Å; A201-Q204 VanDerWaalsContact N-O 3.1Å; A201-Q204 PolarHBondContact O-N 2.85Å; Q202-Q204 PolarHBondContact O-N 2.79Å
205	C	92.7	Very high	91.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128	168.6	179.2	0	0	0	0	110.1	L166 H169 C174	L166-C205 HydrophobicContact CB-CB 4.44Å; L166-C205 PolarHBondContact N-O 3.47Å; H169-C205 HydrophobicContact CB-CB 3.87Å; C174-C205 WeakPolarHBondContact CA-SG 3.44Å; C174-C205 HydrophobicContact CB-CB 3.64Å; C174-C205 WeakPolarHBondContact CB-SG 3.09Å; C174-C205 WeakPolarHBondContact SG-CA 3.4Å; C174-C205 WeakPolarHBondContact SG-CB 3.13Å; C174-C205 CovalentContact SG-SG 2.03Å; C174-C205 PolarHBondContact SG-SG 3Å
206	Q	92.7	Very high	90.9	Very high	47 Å²	47	51.3 Å²	51.3	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.4	175.8	-41.2	-177.7	-33.5	0	0	109.8	F163 V164 A198 M199	F163-Q206 HydrophobicContact CB-CB 3.62Å; F163-Q206 HydrophobicContact CD1-CB 4.18Å; F163-Q206 HydrophobicContact CG-CB 4.23Å; V164-Q206 CarbonylContact O-C 3.56Å; V164-Q206 VanDerWaalsContact O-CA 3.29Å; V164-Q206 WeakPolarHBondContact O-CA 3.38Å; A198-Q206 CarbonylContact C-O 3.56Å; A198-Q206 WeakPolarHBondContact CA-O 3.03Å; M199-Q206 PolarHBondContact N-O 3.41Å; M199-Q206 PolarHBondContact O-N 2.8Å
207	I	93.1	Very high	90.8	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.9	-174.6	52.7	169.7	0	0	0	110.6	F163 V164 L166 C178 L189 L191 A197 A198	F163-I207 CarbonylContact C-O 3.5Å; F163-I207 WeakPolarHBondContact CA-O 3.39Å; V164-I207 PolarHBondContact N-O 3.49Å; V164-I207 PolarHBondContact O-N 2.93Å; L166-I207 HydrophobicContact CB-CD1 4.15Å; L166-I207 HydrophobicContact CB-CG1 4.18Å; L166-I207 HydrophobicContact CB-CG2 4.46Å; L166-I207 HydrophobicContact CD1-CD1 3.81Å; L166-I207 HydrophobicContact CD2-CD1 4.19Å; L166-I207 HydrophobicContact CD2-CG2 4.17Å; L166-I207 HydrophobicContact CG-CD1 4.26Å; C178-I207 HydrophobicContact CB-CG2 4.22Å; L189-I207 HydrophobicContact CB-CD1 4.24Å; L189-I207 HydrophobicContact CD1-CD1 3.92Å; L189-I207 HydrophobicContact CD2-CD1 4.09Å; L189-I207 HydrophobicContact CG-CD1 4.31Å; L191-I207 HydrophobicContact CD1-CB 4.31Å; L191-I207 HydrophobicContact CD1-CD1 3.77Å; L191-I207 HydrophobicContact CD1-CG1 4.13Å; L191-I207 HydrophobicContact CD2-CD1 3.88Å; L191-I207 HydrophobicContact CD2-CG1 3.94Å; L191-I207 HydrophobicContact CG-CD1 3.73Å; L191-I207 HydrophobicContact CG-CG1 4.25Å; A197-I207 CarbonylContact O-C 3.51Å; A197-I207 WeakPolarHBondContact O-CA 2.96Å; A198-I207 HydrophobicContact CB-CG2 4.2Å
208	S	91.7	Very high	90.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	137.9	179.7	-166.3	0	0	0	0	111.5	A162 R196 A197 S210	A162-S208 WeakPolarHBondContact O-CB 3.38Å; A162-S208 PolarHBondContact O-OG 3.3Å; R196-S208 PolarHBondContact N-O 3.48Å; A197-S208 PolarHBondContact N-O 3.13Å; A197-S208 VanDerWaalsContact N-O 3.07Å; A197-S208 PolarHBondContact O-N 2.99Å; S208-S210 PolarHBondContact OG-N 3.39Å
209	P	90.3	Very high	90.4	Very high	31 Å²	31	61.5 Å²	61.5	20%	0.201	31%	0.306	C	S	.	.	S	Bend	trans	-76.9	-11.8	168.9	32.4	-32.4	0	0	0	111.9	L191 D193 V194 R196	L191-P209 HydrophobicContact CB-CB 4.45Å; L191-P209 HydrophobicContact CD1-CB 4.48Å; D193-P209 HydrophobicContact CB-CB 3.95Å; V194-P209 WeakPolarHBondContact O-CA 3.29Å; R196-P209 WeakPolarHBondContact CD-O 3.42Å; R196-P209 VanDerWaalsContact CG-O 3.23Å; R196-P209 WeakPolarHBondContact CG-O 3.3Å; R196-P209 PolarHBondContact NE-O 3.47Å
210	S	88.7	Confident	90.4	Very high	49 Å²	49	62.9 Å²	62.9	34%	0.343	31%	0.313	S	S	.	.	S	Bend	trans	-85.8	141.7	-178.2	-67.3	0	0	0	0	111.1	P161 S208	P161-S210 VanDerWaalsContact CG-CB 3.41Å; S208-S210 PolarHBondContact OG-N 3.39Å
211	P	87.3	Confident	90.3	Very high	92 Å²	92	66.8 Å²	66.8	60%	0.597	34%	0.342	S	S	*	.			trans	-64	148.9	173.8	29.3	-34.4	0	0	0	110.5
212	L	90.5	Very high	90.2	Very high	19 Å²	19	69.1 Å²	69.1	10%	0.099	37%	0.368	C	S	.	.			trans	-119.5	133.8	178.1	173.5	67.8	0	0	0	110	S158 S160 F163 A197 L217 V225 V227	S158-L212 WeakPolarHBondContact OG-CD1 3.3Å; S160-L212 WeakPolarHBondContact O-CD1 3.35Å; F163-L212 HydrophobicContact CZ-CD2 4.18Å; A197-L212 HydrophobicContact CB-CB 3.86Å; A197-L212 HydrophobicContact CB-CD2 4.28Å; L212-L217 HydrophobicContact CD1-CD2 4.35Å; L212-L217 HydrophobicContact CD2-CD2 3.95Å; L212-L217 HydrophobicContact CG-CD2 4.36Å; L212-V225 HydrophobicContact CD2-CG1 3.22Å; L212-V227 HydrophobicContact CB-CG1 3.78Å; L212-V227 HydrophobicContact CD2-CG1 4.02Å; L212-V227 HydrophobicContact CG-CG1 4.19Å
213	D	87.2	Confident	90.4	Very high	59 Å²	59	61.8 Å²	61.8	32%	0.316	33%	0.333	S	S	.	.			trans	-85.5	116.4	172.8	-173	-9.9	0	0	0	109.8	R215 T216	D213-R215 VanDerWaalsContact CG-NE 3.32Å; D213-R215 PolarHBondContact O-N 2.87Å; D213-R215 VanDerWaalsContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.49Å; D213-R215 VanDerWaalsContact OD1-CG 3.29Å; D213-R215 WeakPolarHBondContact OD1-CG 3.26Å; D213-R215 IonicContact OD1-CZ 3.3Å; D213-R215 PolarHBondContact OD1-N 3.38Å; D213-R215 IonicContact OD1-NE 3.73Å; D213-R215 PolarHBondContact OD1-NE 3.24Å; D213-R215 IonicContact OD1-NH2 3.08Å; D213-R215 IonicContact OD2-CZ 2.83Å; D213-R215 IonicContact OD2-NE 2.7Å; D213-R215 PolarHBondContact OD2-NE 2.87Å; D213-R215 IonicContact OD2-NH2 3.77Å; D213-R215 PolarHBondContact OD2-NH2 3Å; D213-T216 HydrophobicContact CB-CG2 4.21Å; D213-T216 PolarHBondContact O-N 2.83Å; D213-T216 PolarHBondContact O-OG1 2.83Å
214	L	89.1	Confident	90.6	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.063	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.3	-13.8	179.3	-63.1	-178.1	0	0	0	112.8	V153 T216 L217 V227 V243 Q245 L262 F330	V153-L214 HydrophobicContact CG2-CD1 4.24Å; V153-L214 HydrophobicContact CG2-CD2 3.93Å; L214-T216 VanDerWaalsContact C-N 3.35Å; L214-L217 HydrophobicContact CB-CD1 4.37Å; L214-L217 HydrophobicContact CD2-CD1 3.78Å; L214-L217 WeakPolarHBondContact O-CG 3.1Å; L214-V227 HydrophobicContact CD1-CG2 4.11Å; L214-V227 HydrophobicContact CD2-CG1 3.77Å; L214-V227 HydrophobicContact CD2-CG2 3.96Å; L214-V227 HydrophobicContact CG-CG2 4.16Å; L214-V243 HydrophobicContact CD1-CG1 4.22Å; L214-Q245 PolarHBondContact O-NE2 2.89Å; L214-L262 HydrophobicContact CD1-CD2 3.75Å; L214-F330 HydrophobicContact CB-CE1 3.77Å; L214-F330 HydrophobicContact CB-CZ 3.97Å
215	R	84.8	Confident	90.8	Very high	147 Å²	147	51 Å²	51	56%	0.555	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-72.2	-25.9	176.9	-64.3	177.1	-68.5	-172.6	1.4	113.7	D213 L217 L284 F330	D213-R215 VanDerWaalsContact CG-NE 3.32Å; D213-R215 PolarHBondContact O-N 2.87Å; D213-R215 VanDerWaalsContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.49Å; D213-R215 VanDerWaalsContact OD1-CG 3.29Å; D213-R215 WeakPolarHBondContact OD1-CG 3.26Å; D213-R215 IonicContact OD1-CZ 3.3Å; D213-R215 PolarHBondContact OD1-N 3.38Å; D213-R215 IonicContact OD1-NE 3.73Å; D213-R215 PolarHBondContact OD1-NE 3.24Å; D213-R215 IonicContact OD1-NH2 3.08Å; D213-R215 IonicContact OD2-CZ 2.83Å; D213-R215 IonicContact OD2-NE 2.7Å; D213-R215 PolarHBondContact OD2-NE 2.87Å; D213-R215 IonicContact OD2-NH2 3.77Å; D213-R215 PolarHBondContact OD2-NH2 3Å; R215-L217 VanDerWaalsContact C-N 3.29Å; R215-L284 VanDerWaalsContact CD-CD1 3.43Å; R215-L284 HydrophobicContact CG-CD1 3.68Å; R215-F330 HydrophobicContact CG-CE2 4.06Å; R215-F330 HydrophobicContact CG-CZ 3.84Å
216	T	88.1	Confident	90.9	Very high	75 Å²	75	51 Å²	51	46%	0.46	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-89.1	0	-173.4	64.2	0	0	0	0	112.9	D213 L214	D213-T216 HydrophobicContact CB-CG2 4.21Å; D213-T216 PolarHBondContact O-N 2.83Å; D213-T216 PolarHBondContact O-OG1 2.83Å; L214-T216 VanDerWaalsContact C-N 3.35Å
217	L	91.4	Very high	91	Very high	13 Å²	13	49 Å²	49	7%	0.068	27%	0.27	C	S	.	.			trans	-67	143.8	-178	-57.2	-176.9	0	0	0	111.7	V153 A156 M157 L212 L214 R215 V225	V153-L217 HydrophobicContact CB-CD1 3.85Å; V153-L217 HydrophobicContact CG1-CD1 4.08Å; V153-L217 HydrophobicContact CG2-CD1 3.83Å; A156-L217 HydrophobicContact CB-CB 4.23Å; A156-L217 HydrophobicContact CB-CD1 4.11Å; M157-L217 WeakPolarHBondContact O-CA 3.45Å; L212-L217 HydrophobicContact CD1-CD2 4.35Å; L212-L217 HydrophobicContact CD2-CD2 3.95Å; L212-L217 HydrophobicContact CG-CD2 4.36Å; L214-L217 HydrophobicContact CB-CD1 4.37Å; L214-L217 HydrophobicContact CD2-CD1 3.78Å; L214-L217 WeakPolarHBondContact O-CG 3.1Å; R215-L217 VanDerWaalsContact C-N 3.29Å; L217-V225 HydrophobicContact CD1-CB 4.3Å; L217-V225 HydrophobicContact CD1-CG1 4.18Å; L217-V225 HydrophobicContact CD2-CB 4.34Å; L217-V225 HydrophobicContact CD2-CG1 3.92Å; L217-V225 HydrophobicContact CD2-CG2 4.22Å
218	K	91	Very high	91	Very high	111 Å²	111	49.8 Å²	49.8	48%	0.483	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.4	174.9	-64	178.9	-179.6	175.3	0	109.2	A156 M157 M220	A156-K218 CarbonylContact C-O 3.5Å; A156-K218 VanDerWaalsContact CA-O 3.29Å; A156-K218 WeakPolarHBondContact CA-O 3.34Å; M157-K218 HydrophobicContact CE-CB 4.14Å; M157-K218 HydrophobicContact CE-CD 4.16Å; M157-K218 HydrophobicContact CG-CB 4.24Å; M157-K218 PolarHBondContact N-O 2.73Å; M157-K218 PolarHBondContact O-N 3.45Å; K218-M220 PolarHBondContact O-N 2.03Å
219	K	90.8	Very high	91.1	Very high	191 Å²	191	52.8 Å²	52.8	83%	0.83	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	132	174.3	-68.5	-176	179.1	179.2	0	110.4	E155	E155-K219 CarbonylContact O-C 3.39Å; E155-K219 VanDerWaalsContact O-CA 3.28Å; E155-K219 WeakPolarHBondContact O-CA 3.48Å
220	M	93.3	Very high	91.3	Very high	41 Å²	41	52.7 Å²	52.7	20%	0.202	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	110.6	174.5	171.5	171.5	-78.4	0	0	108.9	E155 M157 A201 K218 G222 S223	E155-M220 CarbonylContact C-O 3.56Å; E155-M220 WeakPolarHBondContact CA-O 3.39Å; E155-M220 PolarHBondContact O-N 2.94Å; M157-M220 HydrophobicContact CB-CB 4.04Å; M157-M220 HydrophobicContact CB-CE 4.48Å; M157-M220 HydrophobicContact CB-SD 3.84Å; M157-M220 HydrophobicContact CE-CE 3.7Å; M157-M220 HydrophobicContact CG-CB 3.79Å; M157-M220 HydrophobicContact CG-CE 3.96Å; M157-M220 HydrophobicContact CG-CG 4.49Å; M157-M220 HydrophobicContact CG-SD 3.94Å; M157-M220 HydrophobicContact SD-CE 3.15Å; M157-M220 WeakPolarHBondContact SD-CE 3.4Å; M157-M220 HydrophobicContact SD-SD 3.76Å; A201-M220 HydrophobicContact CB-SD 4Å; K218-M220 PolarHBondContact O-N 2.03Å; M220-G222 PolarHBondContact O-N 2.68Å; M220-S223 VanDerWaalsContact CB-OG 3.27Å; M220-S223 WeakPolarHBondContact CB-OG 3.17Å; M220-S223 WeakPolarHBondContact CG-OG 3.09Å; M220-S223 PolarHBondContact O-N 2.79Å; M220-S223 PolarHBondContact O-OG 2.77Å
221	P	91.9	Very high	91.5	Very high	113 Å²	113	50.4 Å²	50.4	73%	0.734	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	139.1	179.4	-26	35.5	0	0	0	112.5	S223	P221-S223 PolarHBondContact O-N 3.05Å
222	G	90.2	Very high	91.8	Very high	62 Å²	62	51.3 Å²	51.3	64%	0.639	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	74.6	6.9	178.4	0	0	0	0	0	115.2	M220	M220-G222 PolarHBondContact O-N 2.68Å
223	S	93.5	Very high	91.8	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	164.1	171.4	69.8	0	0	0	0	111.9	E155 A156 Y200 M220 P221	E155-S223 WeakPolarHBondContact CA-O 3.49Å; E155-S223 PolarHBondContact N-O 3.43Å; A156-S223 PolarHBondContact N-OG 2.81Å; A156-S223 WeakPolarHBondContact O-CB 3.47Å; A156-S223 PolarHBondContact O-OG 2.94Å; Y200-S223 CarbonylContact O-C 3.55Å; Y200-S223 WeakPolarHBondContact O-CA 3.03Å; Y200-S223 WeakPolarHBondContact O-CB 3.43Å; M220-S223 VanDerWaalsContact CB-OG 3.27Å; M220-S223 WeakPolarHBondContact CB-OG 3.17Å; M220-S223 WeakPolarHBondContact CG-OG 3.09Å; M220-S223 PolarHBondContact O-N 2.79Å; M220-S223 PolarHBondContact O-OG 2.77Å; P221-S223 PolarHBondContact O-N 3.05Å
224	A	93.3	Very high	91.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	147.2	171.7	0	0	0	0	0	110.6	V153 M171 M199 Y200	V153-A224 WeakPolarHBondContact O-CA 3.25Å; M171-A224 HydrophobicContact CG-CB 3.96Å; M171-A224 HydrophobicContact SD-CB 3.49Å; M171-A224 WeakPolarHBondContact SD-CB 3.49Å; M199-A224 CarbonylContact C-O 3.56Å; M199-A224 WeakPolarHBondContact CA-O 3.5Å; Y200-A224 PolarHBondContact N-O 2.86Å; Y200-A224 PolarHBondContact O-N 2.86Å
225	V	94.9	Very high	91.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.7	174.8	167.3	0	0	0	0	108.6	T152 V153 A156 A198 M199 L212 L217	T152-V225 CarbonylContact C-O 3.03Å; T152-V225 VanDerWaalsContact CA-O 3.28Å; T152-V225 WeakPolarHBondContact CA-O 3.32Å; V153-V225 PolarHBondContact N-O 2.9Å; V153-V225 PolarHBondContact O-N 3.26Å; A156-V225 WeakPolarHBondContact O-CG2 3.44Å; A198-V225 CarbonylContact O-C 3.51Å; A198-V225 WeakPolarHBondContact O-CA 3.01Å; M199-V225 HydrophobicContact CB-CG2 4.21Å; M199-V225 HydrophobicContact CG-CG2 3.83Å; M199-V225 HydrophobicContact SD-CG2 4.12Å; L212-V225 HydrophobicContact CD2-CG1 3.22Å; L217-V225 HydrophobicContact CD1-CB 4.3Å; L217-V225 HydrophobicContact CD1-CG1 4.18Å; L217-V225 HydrophobicContact CD2-CB 4.34Å; L217-V225 HydrophobicContact CD2-CG1 3.92Å; L217-V225 HydrophobicContact CD2-CG2 4.22Å
226	G	94.3	Very high	91.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.6	174.2	0	0	0	0	0	111.7	M150 L151 A197 A198	M150-G226 WeakPolarHBondContact SD-CA 3.08Å; L151-G226 CarbonylContact O-C 3.51Å; L151-G226 WeakPolarHBondContact O-CA 3.15Å; A197-G226 CarbonylContact C-O 3.58Å; A197-G226 VanDerWaalsContact CA-O 3.23Å; A197-G226 WeakPolarHBondContact CA-O 3.42Å; A198-G226 PolarHBondContact N-O 3.31Å; A198-G226 PolarHBondContact O-N 3.1Å
227	V	94.9	Very high	90.6	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.03	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.1	167.4	-61.4	0	0	0	0	111.1	M150 L151 R196 A197 L212 L214	M150-V227 WeakPolarHBondContact CA-O 3.3Å; M150-V227 PolarHBondContact SD-N 3.28Å; L151-V227 HydrophobicContact CB-CG2 3.99Å; L151-V227 PolarHBondContact N-O 3.01Å; L151-V227 PolarHBondContact O-N 3.37Å; R196-V227 WeakPolarHBondContact O-CA 3.42Å; A197-V227 HydrophobicContact CB-CG1 4.42Å; L212-V227 HydrophobicContact CB-CG1 3.78Å; L212-V227 HydrophobicContact CD2-CG1 4.02Å; L212-V227 HydrophobicContact CG-CG1 4.19Å; L214-V227 HydrophobicContact CD1-CG2 4.11Å; L214-V227 HydrophobicContact CD2-CG1 3.77Å; L214-V227 HydrophobicContact CD2-CG2 3.96Å; L214-V227 HydrophobicContact CG-CG2 4.16Å
228	V	94.1	Very high	89.5	Confident	22 Å²	22	58 Å²	58	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.9	-179.2	-177.8	0	0	0	0	109.6	R148 M150 R196	R148-V228 HydrophobicContact CB-CG1 3.89Å; R148-V228 HydrophobicContact CG-CG1 4.19Å; M150-V228 HydrophobicContact CE-CG2 3.5Å; M150-V228 HydrophobicContact SD-CG2 3.77Å; R196-V228 PolarHBondContact O-N 2.57Å
229	K	93.4	Very high	88.9	Confident	63 Å²	63	58.2 Å²	58.2	27%	0.274	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.3	176.4	-61	-52	-159.1	155	0	111.6	R148 K149 L151 L231 E263	R148-K229 CarbonylContact C-O 3.47Å; R148-K229 WeakPolarHBondContact CA-O 3.47Å; K149-K229 PolarHBondContact N-O 2.96Å; K149-K229 PolarHBondContact O-N 3.25Å; L151-K229 HydrophobicContact CD1-CB 4.11Å; L151-K229 HydrophobicContact CD1-CG 3.92Å; L151-K229 HydrophobicContact CD2-CG 4.19Å; K229-L231 HydrophobicContact CB-CD2 4.48Å; K229-L231 HydrophobicContact CB-CG 4.2Å; K229-E263 HydrophobicContact CB-CG 4.35Å; K229-E263 HydrophobicContact CD-CG 4.41Å; K229-E263 VanDerWaalsContact CD-OE2 3.31Å; K229-E263 WeakPolarHBondContact CD-OE2 3.19Å; K229-E263 WeakPolarHBondContact CE-OE2 3.3Å; K229-E263 HydrophobicContact CG-CG 4.42Å; K229-E263 IonicContact NZ-OE2 3.52Å; K229-E263 PolarHBondContact NZ-OE2 2.85Å
230	C	93.6	Very high	88.6	Confident	28 Å²	28	50.8 Å²	50.8	19%	0.189	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	97.4	179.3	-73.8	0	0	0	0	110.2	C142 R146 K147	C142-C230 WeakPolarHBondContact CA-SG 3.29Å; C142-C230 HydrophobicContact CB-CB 3.76Å; C142-C230 WeakPolarHBondContact CB-SG 3.42Å; C142-C230 WeakPolarHBondContact SG-CA 3.35Å; C142-C230 WeakPolarHBondContact SG-CB 3.44Å; C142-C230 CovalentContact SG-SG 2.03Å; C142-C230 PolarHBondContact SG-SG 2.92Å; R146-C230 HydrophobicContact CB-CB 4.33Å; K147-C230 WeakPolarHBondContact O-CA 3.44Å
231	L	94.2	Very high	88.5	Confident	1 Å²	1	49 Å²	49	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	150.9	-171.1	-61.2	175.6	0	0	0	112	R146 K147 K149 L151 K229 V234 F241 E263 V266 Q267 L270	R146-L231 CarbonylContact C-O 3.6Å; R146-L231 VanDerWaalsContact CA-O 3.28Å; R146-L231 WeakPolarHBondContact CA-O 3.03Å; K147-L231 PolarHBondContact N-O 2.97Å; K147-L231 PolarHBondContact O-N 3.28Å; K149-L231 HydrophobicContact CB-CD1 4.17Å; L151-L231 HydrophobicContact CD1-CD1 4.2Å; K229-L231 HydrophobicContact CB-CD2 4.48Å; K229-L231 HydrophobicContact CB-CG 4.2Å; L231-V234 HydrophobicContact CB-CG2 3.47Å; L231-V234 VanDerWaalsContact CB-CG2 3.47Å; L231-V234 WeakPolarHBondContact O-CG2 3Å; L231-F241 HydrophobicContact CD1-CD2 4.19Å; L231-F241 HydrophobicContact CD1-CE2 3.96Å; L231-E263 HydrophobicContact CD2-CG 3.97Å; L231-V266 HydrophobicContact CD1-CG1 3.73Å; L231-V266 HydrophobicContact CD2-CG1 4.35Å; L231-Q267 HydrophobicContact CD2-CB 4.35Å; L231-L270 HydrophobicContact CB-CD1 4.05Å; L231-L270 HydrophobicContact CD1-CD1 3.96Å; L231-L270 HydrophobicContact CG-CD1 4.46Å
232	R	93.5	Very high	88.5	Confident	112 Å²	112	45.2 Å²	45.2	42%	0.423	25%	0.254	S	S	.	.	S	Bend	trans	-96.2	162.4	169.6	-59.5	-173.3	176.6	179.3	0.3	110.7	R146 V234 Q267	R146-R232 HydrophobicContact CB-CG 4.49Å; R146-R232 HydrophobicContact CG-CG 3.45Å; R146-R232 VanDerWaalsContact CG-CG 3.45Å; R232-V234 PolarHBondContact O-N 3.06Å; R232-V234 VanDerWaalsContact O-N 3.07Å; R232-Q267 PolarHBondContact O-NE2 3.23Å
233	D	90.9	Very high	88.7	Confident	106 Å²	106	42.3 Å²	42.3	57%	0.567	22%	0.224	S	C	*	.	S	Bend	trans	57.2	26.1	175.1	-46.7	-42.8	0	0	0	113.6	P235 S271	D233-P235 WeakPolarHBondContact O-CD 3.35Å; D233-S271 PolarHBondContact OD2-OG 3.19Å
234	V	89.3	Confident	88.7	Confident	15 Å²	15	44.9 Å²	44.9	9%	0.091	24%	0.236	C	C	.	.			trans	-69.5	124.8	-179.3	-175	0	0	0	0	109.3	K147 K149 L231 R232 F241 L270	K147-V234 HydrophobicContact CB-CG2 4.42Å; K149-V234 HydrophobicContact CB-CG1 4.29Å; K149-V234 HydrophobicContact CD-CG1 3.89Å; K149-V234 HydrophobicContact CG-CG1 3.95Å; L231-V234 HydrophobicContact CB-CG2 3.47Å; L231-V234 VanDerWaalsContact CB-CG2 3.47Å; L231-V234 WeakPolarHBondContact O-CG2 3Å; R232-V234 PolarHBondContact O-N 3.06Å; R232-V234 VanDerWaalsContact O-N 3.07Å; V234-F241 HydrophobicContact CG1-CE2 4.42Å; V234-F241 HydrophobicContact CG1-CZ 4.08Å; V234-L270 HydrophobicContact CG2-CD1 4.35Å
235	P	83.9	Confident	88.6	Confident	55 Å²	55	47.6 Å²	47.6	36%	0.357	25%	0.249	S	C	.	.			trans	-57.8	147.9	173.7	-22.7	33.2	0	0	0	111.6	D233 C237	D233-P235 WeakPolarHBondContact O-CD 3.35Å; P235-C237 PolarHBondContact O-N 2.96Å
236	S	76.5	Confident	88.4	Confident	121 Å²	121	50.7 Å²	50.7	85%	0.846	26%	0.263	S	S	*	.	S	Bend	trans	-67.9	16.1	-176.9	-55.7	0	0	0	0	115.5
237	C	73.9	Confident	88.2	Confident	26 Å²	26	54 Å²	54	18%	0.176	28%	0.276	C	S	.	.			trans	-83.8	145.3	-173	63.7	0	0	0	0	113.7	K149 P235 Y239 C336	K149-C237 PolarHBondContact NZ-O 3.37Å; P235-C237 PolarHBondContact O-N 2.96Å; C237-Y239 VanDerWaalsContact C-N 3.31Å; C237-Y239 PolarHBondContact O-N 2.03Å; C237-C336 HydrophobicContact CB-CB 3.24Å; C237-C336 WeakPolarHBondContact CB-SG 3.5Å; C237-C336 WeakPolarHBondContact SG-CB 3.22Å; C237-C336 CovalentContact SG-SG 2.03Å; C237-C336 PolarHBondContact SG-SG 3.03Å
238	L	69.1	Low	88.1	Confident	143 Å²	143	53.8 Å²	53.8	75%	0.749	27%	0.274	S	S	*	.	S	Bend	trans	-72.7	-19.8	-175.7	-67.3	168.8	0	0	0	113.7
239	Y	77	Confident	88	Confident	114 Å²	114	52.9 Å²	52.9	45%	0.447	27%	0.268	S	S	.	.	S	Bend	trans	-85.4	141.6	-174	-60.5	-71.4	0	0	0	112	K149 C237 P338	K149-Y239 VanDerWaalsContact CE-O 3.28Å; K149-Y239 WeakPolarHBondContact CE-O 3.36Å; K149-Y239 PolarHBondContact NZ-O 2.95Å; C237-Y239 VanDerWaalsContact C-N 3.31Å; C237-Y239 PolarHBondContact O-N 2.03Å; Y239-P338 HydrophobicContact CD1-CB 4.48Å; Y239-P338 HydrophobicContact CE1-CB 3.85Å; Y239-P338 HydrophobicContact CE1-CG 4.47Å; Y239-P338 HydrophobicContact CE2-CB 4.01Å; Y239-P338 HydrophobicContact CE2-CG 3.79Å
240	P	84.3	Confident	87.7	Confident	36 Å²	36	49.9 Å²	49.9	23%	0.234	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65	157.1	174.8	29.2	-35.7	0	0	0	111.3	M150 T152	M150-P240 HydrophobicContact CB-CB 3.95Å; M150-P240 HydrophobicContact CG-CB 4.24Å; T152-P240 HydrophobicContact CG2-CB 3.44Å; T152-P240 VanDerWaalsContact CG2-CB 3.44Å; T152-P240 HydrophobicContact CG2-CG 3.72Å
241	F	92	Very high	87.1	Confident	3 Å²	3	49 Å²	49	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141	169	-65.5	-29	0	0	0	110.1	K149 M150 L151 T152 L231 V234 V266 L270 L334	K149-F241 HydrophobicContact CG-CD2 3.65Å; K149-F241 HydrophobicContact CG-CE2 3.61Å; K149-F241 HydrophobicContact CG-CG 4.24Å; K149-F241 HydrophobicContact CG-CZ 4.17Å; M150-F241 PolarHBondContact O-N 2.93Å; L151-F241 CarbonylContact C-O 3.57Å; L151-F241 WeakPolarHBondContact CA-O 3.47Å; L151-F241 HydrophobicContact CD1-CD2 4.3Å; L151-F241 HydrophobicContact CG-CB 4.47Å; T152-F241 PolarHBondContact N-O 3.22Å; T152-F241 PolarHBondContact OG1-O 3.34Å; T152-F241 VanDerWaalsContact OG1-O 3.08Å; L231-F241 HydrophobicContact CD1-CD2 4.19Å; L231-F241 HydrophobicContact CD1-CE2 3.96Å; V234-F241 HydrophobicContact CG1-CE2 4.42Å; V234-F241 HydrophobicContact CG1-CZ 4.08Å; F241-V266 HydrophobicContact CD2-CG1 4.47Å; F241-L270 HydrophobicContact CE2-CD1 4.14Å; F241-L270 HydrophobicContact CE2-CD2 4.34Å; F241-L270 HydrophobicContact CZ-CD2 4.05Å; F241-L334 HydrophobicContact CB-CD2 3.98Å; F241-L334 HydrophobicContact CD1-CB 4.18Å; F241-L334 HydrophobicContact CD1-CD2 4Å; F241-L334 HydrophobicContact CD2-CD2 3.61Å; F241-L334 HydrophobicContact CE1-CB 4.02Å; F241-L334 HydrophobicContact CE1-CD2 4.34Å; F241-L334 HydrophobicContact CE2-CD2 3.98Å; F241-L334 HydrophobicContact CG-CD2 3.61Å; F241-L334 HydrophobicContact CZ-CB 4.35Å; F241-L334 HydrophobicContact CZ-CD2 4.32Å
242	R	90.9	Very high	86.7	Confident	33 Å²	33	50.1 Å²	50.1	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	142.7	-177.2	-66.3	-174.9	-63.7	-125.9	-9.7	111.2	T152 F332 D333	T152-R242 CarbonylContact O-C 3.54Å; T152-R242 WeakPolarHBondContact O-CA 3.5Å; R242-F332 CarbonylContact O-C 3.54Å; R242-F332 WeakPolarHBondContact O-CA 3.39Å; R242-D333 HydrophobicContact CB-CB 4.48Å; R242-D333 IonicContact CZ-OD2 2.85Å; R242-D333 PolarHBondContact N-O 2.68Å; R242-D333 VanDerWaalsContact N-O 3.09Å; R242-D333 IonicContact NE-OD2 3.22Å; R242-D333 IonicContact NH2-OD2 2.71Å; R242-D333 PolarHBondContact NH2-OD2 3.06Å; R242-D333 PolarHBondContact O-N 3.21Å
243	V	94.6	Very high	86.5	Confident	2 Å²	2	45 Å²	45	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134	175.7	179	0	0	0	0	108.7	L151 T152 V153 L214 L262 F330 Y331 F332	L151-V243 HydrophobicContact CB-CG2 3.96Å; L151-V243 HydrophobicContact CD2-CG2 4.16Å; L151-V243 HydrophobicContact CG-CG2 4.13Å; T152-V243 PolarHBondContact O-N 2.95Å; V153-V243 WeakPolarHBondContact CA-O 3.4Å; V153-V243 HydrophobicContact CG2-CB 3.9Å; V153-V243 HydrophobicContact CG2-CG1 4.07Å; L214-V243 HydrophobicContact CD1-CG1 4.22Å; V243-L262 HydrophobicContact CG1-CD2 4.08Å; V243-L262 HydrophobicContact CG2-CD2 4.31Å; V243-F330 HydrophobicContact CG1-CB 4.15Å; V243-F330 HydrophobicContact CG1-CD1 3.71Å; V243-F330 HydrophobicContact CG1-CG 4.34Å; V243-Y331 CarbonylContact C-O 3.48Å; V243-Y331 VanDerWaalsContact CA-O 3.29Å; V243-Y331 WeakPolarHBondContact CA-O 3.12Å; V243-F332 HydrophobicContact CG2-CB 4.23Å
244	M	93.4	Very high	86.5	Confident	57 Å²	57	44 Å²	44	28%	0.281	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.2	174.9	-62.9	-178.5	-179.6	0	0	109.3	R247 F321 F330 Y331	M244-R247 HydrophobicContact CB-CB 4.29Å; M244-R247 HydrophobicContact CB-CG 4.11Å; M244-F321 HydrophobicContact SD-CE1 3.66Å; M244-F321 HydrophobicContact SD-CZ 3.55Å; M244-F321 VanDerWaalsContact SD-CZ 3.55Å; M244-F330 WeakPolarHBondContact O-CA 3.49Å; M244-Y331 HydrophobicContact CB-CD1 4.46Å; M244-Y331 PolarHBondContact N-O 3.09Å; M244-Y331 PolarHBondContact O-N 2.79Å; M244-Y331 HydrophobicContact SD-CD1 4.49Å
245	Q	91.1	Very high	86.5	Confident	58 Å²	58	43.7 Å²	43.7	27%	0.271	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	147	171.4	-70.9	179.9	-10.5	0	0	110.9	L214 R247 F330	L214-Q245 PolarHBondContact O-NE2 2.89Å; Q245-R247 VanDerWaalsContact C-N 3.3Å; Q245-R247 PolarHBondContact O-N 2.79Å; Q245-F330 HydrophobicContact CG-CD1 3.91Å; Q245-F330 HydrophobicContact CG-CE1 3.53Å; Q245-F330 HydrophobicContact CG-CZ 4.48Å
246	Q	90.7	Very high	86.9	Confident	64 Å²	64	41.2 Å²	41.2	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	41.7	169.2	-57.5	-52.8	61.3	0	0	114.2	P323 E324 H327 V329	Q246-P323 WeakPolarHBondContact O-CA 3.43Å; Q246-E324 PolarHBondContact O-N 3.32Å; Q246-H327 PolarHBondContact NE2-O 3.47Å; Q246-H327 PolarHBondContact OE1-O 2.82Å; Q246-H327 VanDerWaalsContact OE1-O 3.1Å; Q246-V329 PolarHBondContact N-O 2.93Å; Q246-V329 PolarHBondContact OE1-O 3.31Å
247	R	91.7	Very high	87.5	Confident	70 Å²	70	35.9 Å²	35.9	26%	0.264	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.5	176.1	-71.4	-69.4	-169.5	159.4	0	111	M244 Q245 F321 T322 Y331	M244-R247 HydrophobicContact CB-CB 4.29Å; M244-R247 HydrophobicContact CB-CG 4.11Å; Q245-R247 VanDerWaalsContact C-N 3.3Å; Q245-R247 PolarHBondContact O-N 2.79Å; R247-F321 HydrophobicContact CB-CE1 4.14Å; R247-F321 HydrophobicContact CB-CE2 3.64Å; R247-F321 HydrophobicContact CB-CZ 3.37Å; R247-F321 HydrophobicContact CG-CE1 3.93Å; R247-F321 HydrophobicContact CG-CE2 4.35Å; R247-F321 HydrophobicContact CG-CZ 3.63Å; R247-F321 PolarHBondContact NH1-O 2.9Å; R247-T322 WeakPolarHBondContact CA-O 3.01Å; R247-Y331 WeakPolarHBondContact O-CB 3.09Å
248	I	92	Very high	88.1	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.3	178.7	-72.8	179.4	0	0	0	109.6	V250 M281 F283 F321 T322 E324 V329 K389	I248-V250 HydrophobicContact CG2-CG2 4.11Å; I248-M281 VanDerWaalsContact CA-SD 3.55Å; I248-M281 HydrophobicContact CB-SD 3.84Å; I248-M281 HydrophobicContact CG1-SD 3.89Å; I248-M281 HydrophobicContact CG2-CE 4.45Å; I248-M281 HydrophobicContact CG2-SD 3.6Å; I248-F283 HydrophobicContact CD1-CE1 3.88Å; I248-F283 HydrophobicContact CD1-CZ 3.6Å; I248-F283 HydrophobicContact CG1-CZ 4.11Å; I248-F321 CarbonylContact O-C 3.57Å; I248-F321 WeakPolarHBondContact O-CA 3.1Å; I248-F321 WeakPolarHBondContact O-CD2 3.3Å; I248-T322 HydrophobicContact CB-CG2 4.35Å; I248-T322 PolarHBondContact N-O 2.95Å; I248-T322 PolarHBondContact O-N 3.16Å; I248-E324 HydrophobicContact CD1-CB 3.59Å; I248-E324 HydrophobicContact CD1-CG 3.63Å; I248-E324 WeakPolarHBondContact CD1-OE2 3.34Å; I248-E324 HydrophobicContact CG1-CB 3.86Å; I248-E324 HydrophobicContact CG1-CG 4.36Å; I248-V329 HydrophobicContact CD1-CG1 4.39Å; I248-V329 HydrophobicContact CG1-CG1 3.99Å; I248-V329 HydrophobicContact CG1-CG2 4.26Å; I248-K389 WeakPolarHBondContact CG2-O 3.5Å
249	L	91.3	Very high	89	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.9	167	179.8	63.5	0	0	0	109.1	H252 M281 N310 E312 K317 L320 F321 Y331	L249-H252 HydrophobicContact CD2-CB 4.16Å; L249-H252 HydrophobicContact CG-CB 4.37Å; L249-M281 PolarHBondContact N-SD 2.99Å; L249-M281 WeakPolarHBondContact O-CE 3.41Å; L249-N310 HydrophobicContact CD2-CB 4.43Å; L249-E312 HydrophobicContact CD2-CB 4.02Å; L249-K317 HydrophobicContact CD1-CB 3.79Å; L249-L320 HydrophobicContact CD1-CB 4.23Å; L249-F321 HydrophobicContact CB-CD2 4.34Å; L249-Y331 HydrophobicContact CB-CD2 4.46Å; L249-Y331 HydrophobicContact CB-CE2 4.01Å
250	V	87.8	Confident	89.4	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.161	C	C	.	.			trans	-83.6	144.2	-173.5	-163.2	0	0	0	0	111.5	I248 H252 L320 T322 F359 L388 K389	I248-V250 HydrophobicContact CG2-CG2 4.11Å; V250-H252 VanDerWaalsContact C-N 3.25Å; V250-H252 PolarHBondContact O-CD2 3.07Å; V250-H252 VanDerWaalsContact O-CD2 3.24Å; V250-H252 PolarHBondContact O-N 2.89Å; V250-H252 VanDerWaalsContact O-N 3.15Å; V250-L320 PolarHBondContact N-O 2.69Å; V250-T322 HydrophobicContact CG2-CG2 3.64Å; V250-F359 HydrophobicContact CB-CE2 3.96Å; V250-F359 HydrophobicContact CG1-CD2 4.42Å; V250-F359 HydrophobicContact CG1-CE2 3.34Å; V250-F359 HydrophobicContact CG1-CZ 3.76Å; V250-L388 VanDerWaalsContact CG1-O 3.26Å; V250-L388 WeakPolarHBondContact CG1-O 3.26Å; V250-K389 HydrophobicContact CG2-CB 4.46Å; V250-K389 HydrophobicContact CG2-CG 4.31Å
251	G	81.8	Confident	89.7	Confident	10 Å²	10	31.2 Å²	31.2	10%	0.103	16%	0.164	C	C	.	.	S	Bend	trans	80.1	-16.9	169.3	0	0	0	0	0	116.1	L364	G251-L364 WeakPolarHBondContact O-CD2 3.42Å
252	H	85.8	Confident	89.7	Confident	24 Å²	24	31.9 Å²	31.9	11%	0.111	17%	0.168	C	C	.	.			trans	-103.6	18.9	-171.5	-64.5	-64.1	0	0	0	115.3	L249 V250 R254 N310 E312 L320	L249-H252 HydrophobicContact CD2-CB 4.16Å; L249-H252 HydrophobicContact CG-CB 4.37Å; V250-H252 VanDerWaalsContact C-N 3.25Å; V250-H252 PolarHBondContact O-CD2 3.07Å; V250-H252 VanDerWaalsContact O-CD2 3.24Å; V250-H252 PolarHBondContact O-N 2.89Å; V250-H252 VanDerWaalsContact O-N 3.15Å; H252-R254 PolarHBondContact O-N 2.03Å; H252-N310 VanDerWaalsContact C-OD1 3.32Å; H252-N310 WeakPolarHBondContact O-CA 3.06Å; H252-N310 PolarHBondContact O-OD1 3.23Å; H252-N310 VanDerWaalsContact O-OD1 3.13Å; H252-E312 HydrophobicContact CB-CB 3.87Å; H252-E312 HydrophobicContact CB-CG 4.06Å; H252-L320 VanDerWaalsContact NE2-CD1 3.33Å; H252-L320 WeakPolarHBondContact NE2-CD1 3.23Å
253	A	87.9	Confident	89.8	Confident	3 Å²	3	32.8 Å²	32.8	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.4	172.4	0	0	0	0	0	110.2	I308 N310 I391	A253-I308 HydrophobicContact CB-CG2 3.37Å; A253-N310 VanDerWaalsContact CA-OD1 3.25Å; A253-N310 WeakPolarHBondContact CA-OD1 3.42Å; A253-N310 PolarHBondContact N-OD1 3.1Å; A253-I391 HydrophobicContact CB-CB 4.33Å; A253-I391 HydrophobicContact CB-CD1 3.58Å; A253-I391 HydrophobicContact CB-CG2 3.93Å
254	R	91.5	Very high	89.7	Confident	85 Å²	85	35 Å²	35	32%	0.321	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-38.7	176.8	-178.9	58.5	-173.3	170.8	4.4	111.7	H252 F275 L309 T311 T368 D369	H252-R254 PolarHBondContact O-N 2.03Å; R254-F275 HydrophobicContact CB-CD1 4.39Å; R254-F275 HydrophobicContact CB-CD2 4.07Å; R254-F275 HydrophobicContact CB-CE1 4.17Å; R254-F275 HydrophobicContact CB-CE2 3.81Å; R254-F275 HydrophobicContact CB-CG 4.35Å; R254-F275 HydrophobicContact CB-CZ 3.87Å; R254-F275 HydrophobicContact CG-CB 4.14Å; R254-F275 HydrophobicContact CG-CD1 3.4Å; R254-F275 HydrophobicContact CG-CD2 3.65Å; R254-F275 HydrophobicContact CG-CE1 3.57Å; R254-F275 HydrophobicContact CG-CE2 3.8Å; R254-F275 HydrophobicContact CG-CG 3.45Å; R254-F275 VanDerWaalsContact CG-CG 3.45Å; R254-F275 HydrophobicContact CG-CZ 3.77Å; R254-L309 PolarHBondContact N-O 3.31Å; R254-T311 HydrophobicContact CB-CG2 4.06Å; R254-T311 HydrophobicContact CG-CG2 4.08Å; R254-T368 CarbonylContact O-C 3.54Å; R254-T368 VanDerWaalsContact O-CA 3.28Å; R254-T368 WeakPolarHBondContact O-CA 3.45Å; R254-T368 VanDerWaalsContact O-CB 3.28Å; R254-T368 WeakPolarHBondContact O-CB 3.42Å; R254-D369 IonicContact CZ-OD1 3Å; R254-D369 VanDerWaalsContact CZ-OD1 3.25Å; R254-D369 IonicContact CZ-OD2 3.25Å; R254-D369 VanDerWaalsContact CZ-OD2 3.25Å; R254-D369 IonicContact NE-OD1 3.89Å; R254-D369 IonicContact NE-OD2 3.95Å; R254-D369 PolarHBondContact NE-OD2 3.38Å; R254-D369 IonicContact NH1-OD1 3.66Å; R254-D369 VanDerWaalsContact NH2-CG 3.35Å; R254-D369 IonicContact NH2-OD1 2.7Å; R254-D369 PolarHBondContact NH2-OD1 3.34Å; R254-D369 IonicContact NH2-OD2 2.74Å; R254-D369 PolarHBondContact NH2-OD2 2.86Å; R254-D369 PolarHBondContact O-N 2.91Å
255	A	90.3	Very high	89.8	Confident	10 Å²	10	32.3 Å²	32.3	8%	0.083	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.4	174.3	0	0	0	0	0	111	F275 L309 D369	A255-F275 HydrophobicContact CB-CE1 3.74Å; A255-F275 HydrophobicContact CB-CZ 3.92Å; A255-L309 HydrophobicContact CB-CB 4.32Å; A255-L309 HydrophobicContact CB-CD1 4.4Å; A255-L309 PolarHBondContact N-O 3.44Å; A255-L309 PolarHBondContact O-N 2.93Å; A255-D369 HydrophobicContact CB-CB 4.4Å
256	V	90.5	Very high	90.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.2	175.1	-176	0	0	0	0	108	Q305 C307 I308 T368 S371 Y383 I391 R392	V256-Q305 HydrophobicContact CG1-CB 3.69Å; V256-Q305 HydrophobicContact CG1-CG 4.29Å; V256-C307 WeakPolarHBondContact CA-O 3.35Å; V256-I308 HydrophobicContact CG1-CG1 4.47Å; V256-I308 HydrophobicContact CG2-CG1 4.47Å; V256-I308 HydrophobicContact CG2-CG2 4.48Å; V256-T368 HydrophobicContact CG2-CG2 4.41Å; V256-S371 WeakPolarHBondContact O-CB 3.28Å; V256-Y383 HydrophobicContact CB-CD2 3.92Å; V256-Y383 HydrophobicContact CB-CE2 3.72Å; V256-Y383 HydrophobicContact CG1-CD2 4.37Å; V256-Y383 HydrophobicContact CG1-CE2 3.74Å; V256-Y383 HydrophobicContact CG2-CD2 3.76Å; V256-Y383 HydrophobicContact CG2-CE2 3.98Å; V256-I391 HydrophobicContact CG2-CG2 3.9Å; V256-R392 HydrophobicContact CG1-CG 4.37Å
257	T	89.2	Confident	90.3	Very high	9 Å²	9	28 Å²	28	6%	0.055	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	172	-169.9	-175.8	0	0	0	0	110.7	Q268 Q305 N306 C307 L309 P372	T257-Q268 PolarHBondContact OG1-OE1 2.76Å; T257-Q305 CarbonylContact O-C 3.39Å; T257-Q305 VanDerWaalsContact O-CA 3.25Å; T257-Q305 WeakPolarHBondContact O-CA 3.44Å; T257-N306 PolarHBondContact O-N 2.79Å; T257-C307 HydrophobicContact CG2-CB 3.76Å; T257-C307 PolarHBondContact N-O 3.02Å; T257-C307 WeakPolarHBondContact O-CB 3.26Å; T257-C307 PolarHBondContact O-N 2.69Å; T257-L309 HydrophobicContact CG2-CD1 4.42Å; T257-L309 HydrophobicContact CG2-CG 4.46Å; T257-P372 WeakPolarHBondContact OG1-CD 3.28Å
258	D	86.9	Confident	90.5	Very high	65 Å²	65	26.7 Å²	26.7	35%	0.348	15%	0.149	S	C	.	.			trans	-91.3	136.2	178	-58.7	-3.8	0	0	0	109.2	Q268 G304 Q305	D258-Q268 PolarHBondContact O-NE2 3Å; D258-Q268 PolarHBondContact O-OE1 2.84Å; D258-G304 VanDerWaalsContact OD1-C 3.31Å; D258-G304 WeakPolarHBondContact OD1-CA 3.11Å; D258-Q305 PolarHBondContact OD1-N 2.85Å
259	A	88.5	Confident	90.7	Very high	8 Å²	8	26.8 Å²	26.8	7%	0.066	15%	0.15	C	C	.	.			trans	-136.2	137.9	169.3	0	0	0	0	0	111.2	S261 D264 C265 F282 N306 C307	A259-S261 VanDerWaalsContact C-N 3.31Å; A259-D264 WeakPolarHBondContact CA-OD2 3.37Å; A259-D264 HydrophobicContact CB-CB 4.22Å; A259-C265 HydrophobicContact CB-CB 3.67Å; A259-F282 HydrophobicContact CB-CD2 4.09Å; A259-F282 HydrophobicContact CB-CE2 3.91Å; A259-N306 PolarHBondContact N-OD1 2.85Å; A259-N306 PolarHBondContact O-ND2 3.35Å; A259-N306 PolarHBondContact O-OD1 3.47Å; A259-C307 HydrophobicContact CB-CB 3.64Å
260	S	86.1	Confident	90.9	Very high	104 Å²	104	28.1 Å²	28.1	73%	0.727	16%	0.156	S	C	*	.	S	Bend	trans	-74	-22.5	176.7	57.8	0	0	0	0	113.2	D264	S260-D264 PolarHBondContact N-OD2 2.78Å; S260-D264 PolarHBondContact OG-OD2 2.87Å
261	S	89.1	Confident	91.1	Very high	44 Å²	44	30.3 Å²	30.3	31%	0.308	17%	0.172	S	C	.	.	S	Bend	trans	-159.7	168.9	-177.9	65.8	0	0	0	0	111.3	A259 E263 D264 C265 F282	A259-S261 VanDerWaalsContact C-N 3.31Å; S261-E263 PolarHBondContact O-N 3.31Å; S261-E263 PolarHBondContact OG-N 2.98Å; S261-D264 WeakPolarHBondContact O-CB 2.98Å; S261-D264 PolarHBondContact O-N 3.49Å; S261-D264 PolarHBondContact OG-N 2.82Å; S261-C265 PolarHBondContact O-N 3.38Å; S261-F282 VanDerWaalsContact C-CE2 3.44Å; S261-F282 VanDerWaalsContact CA-CZ 3.44Å; S261-F282 WeakPolarHBondContact O-CE2 3.38Å
262	L	92.1	Very high	91.6	Very high	18 Å²	18	31.2 Å²	31.2	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-38.9	171.4	176	63.1	0	0	0	111.8	L151 L214 V243 C265 V266 F282 F330 F332	L151-L262 HydrophobicContact CD2-CD2 4.28Å; L151-L262 HydrophobicContact CD2-CG 4.45Å; L214-L262 HydrophobicContact CD1-CD2 3.75Å; V243-L262 HydrophobicContact CG1-CD2 4.08Å; V243-L262 HydrophobicContact CG2-CD2 4.31Å; L262-C265 PolarHBondContact O-N 3.19Å; L262-V266 HydrophobicContact CD1-CG2 4.26Å; L262-V266 HydrophobicContact CG-CG2 4.49Å; L262-V266 WeakPolarHBondContact O-CG2 3.42Å; L262-V266 PolarHBondContact O-N 3.26Å; L262-F282 HydrophobicContact CB-CD1 3.77Å; L262-F282 HydrophobicContact CB-CE1 4.24Å; L262-F282 HydrophobicContact CB-CG 4.27Å; L262-F282 HydrophobicContact CD1-CB 3.72Å; L262-F282 HydrophobicContact CD1-CD1 4.37Å; L262-F282 HydrophobicContact CD1-CG 4.31Å; L262-F282 VanDerWaalsContact N-CE1 3.33Å; L262-F330 HydrophobicContact CD1-CB 3.93Å; L262-F330 HydrophobicContact CD2-CB 4.26Å; L262-F330 HydrophobicContact CD2-CG 4.26Å; L262-F332 HydrophobicContact CD1-CD1 3.82Å; L262-F332 HydrophobicContact CD1-CE1 4.41Å
263	E	93.4	Very high	91.7	Very high	51 Å²	51	38.8 Å²	38.8	24%	0.238	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-42.4	178.8	178.2	172.5	-178.3	0	0	111.9	K229 L231 S261 V266 Q267	K229-E263 HydrophobicContact CB-CG 4.35Å; K229-E263 HydrophobicContact CD-CG 4.41Å; K229-E263 VanDerWaalsContact CD-OE2 3.31Å; K229-E263 WeakPolarHBondContact CD-OE2 3.19Å; K229-E263 WeakPolarHBondContact CE-OE2 3.3Å; K229-E263 HydrophobicContact CG-CG 4.42Å; K229-E263 IonicContact NZ-OE2 3.52Å; K229-E263 PolarHBondContact NZ-OE2 2.85Å; L231-E263 HydrophobicContact CD2-CG 3.97Å; S261-E263 PolarHBondContact O-N 3.31Å; S261-E263 PolarHBondContact OG-N 2.98Å; E263-V266 PolarHBondContact O-N 2.78Å; E263-Q267 WeakPolarHBondContact O-CB 3.47Å; E263-Q267 PolarHBondContact O-N 2.71Å
264	D	93	Very high	91.6	Very high	49 Å²	49	45.6 Å²	45.6	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-43.4	174.9	-177.4	21.7	0	0	0	111.3	A259 S260 S261 V266 Q267 Q268	A259-D264 WeakPolarHBondContact CA-OD2 3.37Å; A259-D264 HydrophobicContact CB-CB 4.22Å; S260-D264 PolarHBondContact N-OD2 2.78Å; S260-D264 PolarHBondContact OG-OD2 2.87Å; S261-D264 WeakPolarHBondContact O-CB 2.98Å; S261-D264 PolarHBondContact O-N 3.49Å; S261-D264 PolarHBondContact OG-N 2.82Å; D264-V266 PolarHBondContact O-N 3.37Å; D264-Q267 WeakPolarHBondContact O-CB 3.48Å; D264-Q267 PolarHBondContact O-N 2.89Å; D264-Q267 VanDerWaalsContact O-N 3.17Å; D264-Q268 WeakPolarHBondContact O-CG 3.38Å; D264-Q268 PolarHBondContact O-N 3.08Å; D264-Q268 PolarHBondContact OD1-NE2 2.91Å; D264-Q268 VanDerWaalsContact OD1-NE2 3.08Å
265	C	95.3	Very high	91.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-41	176.5	-172.4	0	0	0	0	112.7	A259 S261 L262 Q268 C269 F282 C307 F332	A259-C265 HydrophobicContact CB-CB 3.67Å; S261-C265 PolarHBondContact O-N 3.38Å; L262-C265 PolarHBondContact O-N 3.19Å; C265-Q268 PolarHBondContact O-N 2.69Å; C265-C269 PolarHBondContact O-N 3Å; C265-C269 VanDerWaalsContact O-N 3.08Å; C265-F282 HydrophobicContact CB-CB 4.12Å; C265-F282 HydrophobicContact CB-CD2 3.8Å; C265-F282 HydrophobicContact CB-CG 4.25Å; C265-C307 WeakPolarHBondContact CA-SG 3.3Å; C265-C307 HydrophobicContact CB-CB 3.8Å; C265-C307 WeakPolarHBondContact CB-SG 3.39Å; C265-C307 VanDerWaalsContact SG-CA 3.54Å; C265-C307 WeakPolarHBondContact SG-CB 3.18Å; C265-C307 CovalentContact SG-SG 2.03Å; C265-C307 PolarHBondContact SG-SG 2.79Å; C265-F332 HydrophobicContact CB-CE1 4.32Å; C265-F332 VanDerWaalsContact SG-CE1 3.55Å
266	V	96.7	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-43.2	172.7	168.2	0	0	0	0	110.8	L151 L231 F241 L262 E263 D264 Q268 C269 L270 F332 L334	L151-V266 HydrophobicContact CD2-CG2 4.31Å; L231-V266 HydrophobicContact CD1-CG1 3.73Å; L231-V266 HydrophobicContact CD2-CG1 4.35Å; F241-V266 HydrophobicContact CD2-CG1 4.47Å; L262-V266 HydrophobicContact CD1-CG2 4.26Å; L262-V266 HydrophobicContact CG-CG2 4.49Å; L262-V266 WeakPolarHBondContact O-CG2 3.42Å; L262-V266 PolarHBondContact O-N 3.26Å; E263-V266 PolarHBondContact O-N 2.78Å; D264-V266 PolarHBondContact O-N 3.37Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3.19Å; V266-C269 WeakPolarHBondContact O-CB 3.41Å; V266-C269 PolarHBondContact O-N 3.36Å; V266-L270 HydrophobicContact CG1-CD1 4.14Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.42Å; V266-F332 HydrophobicContact CG2-CB 4.34Å; V266-F332 HydrophobicContact CG2-CD1 3.96Å; V266-F332 HydrophobicContact CG2-CD2 3.84Å; V266-F332 HydrophobicContact CG2-CE1 4.16Å; V266-F332 HydrophobicContact CG2-CE2 4.03Å; V266-F332 HydrophobicContact CG2-CG 3.78Å; V266-F332 HydrophobicContact CG2-CZ 4.17Å; V266-L334 HydrophobicContact CG1-CD1 4.33Å; V266-L334 HydrophobicContact CG1-CD2 3.92Å
267	Q	95.9	Very high	91.6	Very high	31 Å²	31	52.5 Å²	52.5	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-41.6	177.9	-174.7	60.4	69.4	0	0	111.8	L231 R232 E263 D264 C269 L270 S271	L231-Q267 HydrophobicContact CD2-CB 4.35Å; R232-Q267 PolarHBondContact O-NE2 3.23Å; E263-Q267 WeakPolarHBondContact O-CB 3.47Å; E263-Q267 PolarHBondContact O-N 2.71Å; D264-Q267 WeakPolarHBondContact O-CB 3.48Å; D264-Q267 PolarHBondContact O-N 2.89Å; D264-Q267 VanDerWaalsContact O-N 3.17Å; Q267-C269 VanDerWaalsContact C-N 3.35Å; Q267-L270 PolarHBondContact O-N 2.85Å; Q267-S271 PolarHBondContact NE2-OG 2.91Å; Q267-S271 WeakPolarHBondContact O-CB 3.42Å; Q267-S271 PolarHBondContact O-N 3.33Å; Q267-S271 PolarHBondContact O-OG 2.93Å
268	Q	95.3	Very high	91.7	Very high	44 Å²	44	55.1 Å²	55.1	21%	0.206	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-39.7	175.9	-70.6	179	50.1	0	0	111.8	T257 D258 D264 C265 V266 L270 S271 V272	T257-Q268 PolarHBondContact OG1-OE1 2.76Å; D258-Q268 PolarHBondContact O-NE2 3Å; D258-Q268 PolarHBondContact O-OE1 2.84Å; D264-Q268 WeakPolarHBondContact O-CG 3.38Å; D264-Q268 PolarHBondContact O-N 3.08Å; D264-Q268 PolarHBondContact OD1-NE2 2.91Å; D264-Q268 VanDerWaalsContact OD1-NE2 3.08Å; C265-Q268 PolarHBondContact O-N 2.69Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3.19Å; Q268-L270 VanDerWaalsContact C-N 3.32Å; Q268-L270 PolarHBondContact O-N 2.99Å; Q268-S271 PolarHBondContact O-N 2.82Å; Q268-V272 WeakPolarHBondContact O-CB 3.32Å; Q268-V272 PolarHBondContact O-N 2.7Å
269	C	96.1	Very high	92.1	Very high	3 Å²	3	52 Å²	52	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-37.6	172.4	-173.6	0	0	0	0	112.4	C265 V266 Q267 V272 C277 L309 F332 L334	C265-C269 PolarHBondContact O-N 3Å; C265-C269 VanDerWaalsContact O-N 3.08Å; V266-C269 WeakPolarHBondContact O-CB 3.41Å; V266-C269 PolarHBondContact O-N 3.36Å; Q267-C269 VanDerWaalsContact C-N 3.35Å; C269-V272 WeakPolarHBondContact O-CG1 3.47Å; C269-C277 VanDerWaalsContact CA-SG 3.57Å; C269-C277 HydrophobicContact CB-CB 4.06Å; C269-C277 WeakPolarHBondContact CB-SG 3.47Å; C269-C277 WeakPolarHBondContact O-CB 3.42Å; C269-C277 WeakPolarHBondContact SG-CB 3.08Å; C269-C277 CovalentContact SG-SG 2.03Å; C269-C277 PolarHBondContact SG-SG 2.95Å; C269-L309 HydrophobicContact CB-CD2 3.74Å; C269-F332 HydrophobicContact CB-CE2 3.78Å; C269-F332 HydrophobicContact CB-CZ 4.06Å; C269-L334 HydrophobicContact CB-CD1 3.84Å; C269-L334 WeakPolarHBondContact SG-CD1 3.39Å
270	L	95	Very high	92.5	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.152	26%	0.26	C	S	.	.	H	α-helix	trans	-71	-33.8	178.5	-70.7	169.7	0	0	0	113.1	L231 V234 F241 V266 Q267 Q268 L334	L231-L270 HydrophobicContact CB-CD1 4.05Å; L231-L270 HydrophobicContact CD1-CD1 3.96Å; L231-L270 HydrophobicContact CG-CD1 4.46Å; V234-L270 HydrophobicContact CG2-CD1 4.35Å; F241-L270 HydrophobicContact CE2-CD1 4.14Å; F241-L270 HydrophobicContact CE2-CD2 4.34Å; F241-L270 HydrophobicContact CZ-CD2 4.05Å; V266-L270 HydrophobicContact CG1-CD1 4.14Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.42Å; Q267-L270 PolarHBondContact O-N 2.85Å; Q268-L270 VanDerWaalsContact C-N 3.32Å; Q268-L270 PolarHBondContact O-N 2.99Å; L270-L334 HydrophobicContact CD2-CD1 3.76Å; L270-L334 HydrophobicContact CG-CD1 3.88Å
271	S	93.7	Very high	92.9	Very high	47 Å²	47	47 Å²	47	33%	0.329	23%	0.226	S	C	.	.	H	α-helix	trans	-97.5	-10.8	-171.4	-60.9	0	0	0	0	114.6	D233 Q267 Q268 Q273	D233-S271 PolarHBondContact OD2-OG 3.19Å; Q267-S271 PolarHBondContact NE2-OG 2.91Å; Q267-S271 WeakPolarHBondContact O-CB 3.42Å; Q267-S271 PolarHBondContact O-N 3.33Å; Q267-S271 PolarHBondContact O-OG 2.93Å; Q268-S271 PolarHBondContact O-N 2.82Å; S271-Q273 PolarHBondContact O-N 3.31Å
272	V	91.2	Very high	93.2	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.182	21%	0.213	C	C	.	.			trans	-63.9	131	177.4	70.3	0	0	0	0	110.7	Q268 C269 E274 F275 C277 L309	Q268-V272 WeakPolarHBondContact O-CB 3.32Å; Q268-V272 PolarHBondContact O-N 2.7Å; C269-V272 WeakPolarHBondContact O-CG1 3.47Å; V272-E274 WeakPolarHBondContact CG2-OE2 3Å; V272-F275 HydrophobicContact CG1-CE1 4.29Å; V272-F275 HydrophobicContact CG1-CE2 4.16Å; V272-F275 HydrophobicContact CG1-CZ 4.01Å; V272-F275 HydrophobicContact CG2-CD1 4Å; V272-F275 HydrophobicContact CG2-CE1 3.57Å; V272-F275 HydrophobicContact CG2-CZ 4.04Å; V272-C277 HydrophobicContact CG1-CB 3.58Å; V272-L309 HydrophobicContact CG1-CD1 4.48Å
273	Q	88.1	Confident	93.1	Very high	182 Å²	182	44.4 Å²	44.4	85%	0.85	21%	0.209	S	C	*	.			trans	-107.7	-24.4	-173.4	-63.2	-175	4	0	0	112.3	S271 F275	S271-Q273 PolarHBondContact O-N 3.31Å; Q273-F275 PolarHBondContact O-N 3.47Å
274	E	85.1	Confident	92.5	Very high	146 Å²	146	44.7 Å²	44.7	68%	0.682	21%	0.212	S	C	*	.	S	Bend	trans	-63.8	-26.3	-177.2	-63.6	82.1	174	0	0	112	V272	V272-E274 WeakPolarHBondContact CG2-OE2 3Å
275	F	90	Very high	91.4	Very high	22 Å²	22	47.7 Å²	47.7	10%	0.096	22%	0.224	C	C	.	.	S	Bend	trans	-154.7	160.1	173.2	64.1	-86.4	0	0	0	110.7	R254 A255 V272 Q273 C277 L309 T311 D369	R254-F275 HydrophobicContact CB-CD1 4.39Å; R254-F275 HydrophobicContact CB-CD2 4.07Å; R254-F275 HydrophobicContact CB-CE1 4.17Å; R254-F275 HydrophobicContact CB-CE2 3.81Å; R254-F275 HydrophobicContact CB-CG 4.35Å; R254-F275 HydrophobicContact CB-CZ 3.87Å; R254-F275 HydrophobicContact CG-CB 4.14Å; R254-F275 HydrophobicContact CG-CD1 3.4Å; R254-F275 HydrophobicContact CG-CD2 3.65Å; R254-F275 HydrophobicContact CG-CE1 3.57Å; R254-F275 HydrophobicContact CG-CE2 3.8Å; R254-F275 HydrophobicContact CG-CG 3.45Å; R254-F275 VanDerWaalsContact CG-CG 3.45Å; R254-F275 HydrophobicContact CG-CZ 3.77Å; A255-F275 HydrophobicContact CB-CE1 3.74Å; A255-F275 HydrophobicContact CB-CZ 3.92Å; V272-F275 HydrophobicContact CG1-CE1 4.29Å; V272-F275 HydrophobicContact CG1-CE2 4.16Å; V272-F275 HydrophobicContact CG1-CZ 4.01Å; V272-F275 HydrophobicContact CG2-CD1 4Å; V272-F275 HydrophobicContact CG2-CE1 3.57Å; V272-F275 HydrophobicContact CG2-CZ 4.04Å; Q273-F275 PolarHBondContact O-N 3.47Å; F275-C277 HydrophobicContact CD2-CB 4.19Å; F275-C277 HydrophobicContact CE2-CB 3.63Å; F275-C277 HydrophobicContact CZ-CB 4.42Å; F275-C277 PolarHBondContact O-N 3.24Å; F275-C277 VanDerWaalsContact O-N 3.12Å; F275-L309 HydrophobicContact CE2-CB 4.15Å; F275-L309 HydrophobicContact CZ-CB 3.66Å; F275-L309 HydrophobicContact CZ-CD1 4.15Å; F275-T311 HydrophobicContact CB-CG2 4.28Å; F275-T311 HydrophobicContact CD2-CG2 3.57Å; F275-T311 HydrophobicContact CE2-CG2 4.3Å; F275-T311 HydrophobicContact CG-CG2 4.23Å; F275-D369 WeakPolarHBondContact CD1-OD2 3.06Å
276	R	89.6	Confident	89.5	Confident	204 Å²	204	48.8 Å²	48.8	77%	0.77	23%	0.233	S	C	*	.			trans	-80	95	173.7	-176.9	176.5	167.9	159.5	-2.3	110.5
277	C	92.9	Very high	87.2	Confident	17 Å²	17	50.4 Å²	50.4	12%	0.115	25%	0.25	C	C	.	.			trans	-67.2	133.2	172	-169.8	0	0	0	0	110.4	C269 V272 F275 S279 N310	C269-C277 VanDerWaalsContact CA-SG 3.57Å; C269-C277 HydrophobicContact CB-CB 4.06Å; C269-C277 WeakPolarHBondContact CB-SG 3.47Å; C269-C277 WeakPolarHBondContact O-CB 3.42Å; C269-C277 WeakPolarHBondContact SG-CB 3.08Å; C269-C277 CovalentContact SG-SG 2.03Å; C269-C277 PolarHBondContact SG-SG 2.95Å; V272-C277 HydrophobicContact CG1-CB 3.58Å; F275-C277 HydrophobicContact CD2-CB 4.19Å; F275-C277 HydrophobicContact CE2-CB 3.63Å; F275-C277 HydrophobicContact CZ-CB 4.42Å; F275-C277 PolarHBondContact O-N 3.24Å; F275-C277 VanDerWaalsContact O-N 3.12Å; C277-S279 PolarHBondContact SG-O 3.02Å; C277-S279 VanDerWaalsContact SG-O 3.37Å; C277-N310 WeakPolarHBondContact CA-O 3.31Å
278	K	92.5	Very high	84.5	Confident	64 Å²	64	55.6 Å²	55.6	28%	0.278	27%	0.272	S	S	.	.			trans	-114.2	-28.2	178.2	-62.5	-171.6	-164.1	143.1	0	112.3	N310 T311 T313 L334 T335	K278-N310 PolarHBondContact N-O 3.18Å; K278-T311 WeakPolarHBondContact CD-O 3.49Å; K278-T311 WeakPolarHBondContact CE-O 3.37Å; K278-T311 PolarHBondContact NZ-O 3.47Å; K278-T313 HydrophobicContact CB-CG2 3.83Å; K278-T313 HydrophobicContact CD-CG2 4.38Å; K278-L334 PolarHBondContact O-N 3.29Å; K278-T335 HydrophobicContact CB-CG2 3.99Å; K278-T335 HydrophobicContact CD-CG2 4.34Å; K278-T335 HydrophobicContact CG-CG2 4.42Å
279	S	95.1	Very high	81.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	166.3	-172.8	121.9	0	0	0	0	109.3	C277 N310 E312 Y331 F332	C277-S279 PolarHBondContact SG-O 3.02Å; C277-S279 VanDerWaalsContact SG-O 3.37Å; S279-N310 PolarHBondContact N-O 2.78Å; S279-N310 WeakPolarHBondContact O-CA 2.95Å; S279-N310 WeakPolarHBondContact O-CB 3.29Å; S279-N310 PolarHBondContact O-N 3.04Å; S279-N310 PolarHBondContact OG-ND2 3.47Å; S279-E312 VanDerWaalsContact CB-O 3.3Å; S279-E312 WeakPolarHBondContact CB-O 3.39Å; S279-E312 PolarHBondContact OG-O 3.44Å; S279-Y331 VanDerWaalsContact CB-OH 3.23Å; S279-Y331 WeakPolarHBondContact CB-OH 3.48Å; S279-Y331 WeakPolarHBondContact OG-CE2 3.46Å; S279-Y331 VanDerWaalsContact OG-CZ 3.3Å; S279-Y331 PolarHBondContact OG-OH 3.22Å; S279-F332 CarbonylContact C-O 3.57Å; S279-F332 WeakPolarHBondContact CA-O 3.38Å; S279-F332 WeakPolarHBondContact CB-O 3.46Å; S279-F332 PolarHBondContact OG-O 2.99Å
280	G	96.2	Very high	78.8	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-178.3	173.3	0	0	0	0	0	113	I308 Y331 F332	G280-I308 CarbonylContact C-O 3.58Å; G280-I308 WeakPolarHBondContact CA-O 3.3Å; G280-Y331 WeakPolarHBondContact O-CA 3.47Å; G280-Y331 WeakPolarHBondContact O-CD2 3.42Å; G280-F332 VanDerWaalsContact N-CE2 3.32Å; G280-F332 PolarHBondContact N-O 3.36Å; G280-F332 WeakPolarHBondContact O-CD1 3.07Å; G280-F332 PolarHBondContact O-N 3.14Å
281	M	95.5	Very high	76	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.2	178.4	-61.6	170.7	-78.8	0	0	109.2	I248 L249 F283 C307 I308 V329 F330 Y331	I248-M281 VanDerWaalsContact CA-SD 3.55Å; I248-M281 HydrophobicContact CB-SD 3.84Å; I248-M281 HydrophobicContact CG1-SD 3.89Å; I248-M281 HydrophobicContact CG2-CE 4.45Å; I248-M281 HydrophobicContact CG2-SD 3.6Å; L249-M281 PolarHBondContact N-SD 2.99Å; L249-M281 WeakPolarHBondContact O-CE 3.41Å; M281-F283 HydrophobicContact CB-CE2 3.98Å; M281-C307 WeakPolarHBondContact O-CA 3.49Å; M281-I308 HydrophobicContact CB-CB 4.27Å; M281-I308 HydrophobicContact CE-CB 3.99Å; M281-I308 HydrophobicContact CE-CD1 4.07Å; M281-I308 HydrophobicContact CE-CG2 3.68Å; M281-I308 PolarHBondContact N-O 2.77Å; M281-I308 PolarHBondContact O-N 3.47Å; M281-V329 HydrophobicContact CB-CG2 4.02Å; M281-F330 CarbonylContact C-O 3.59Å; M281-F330 VanDerWaalsContact CA-O 3.31Å; M281-F330 WeakPolarHBondContact CA-O 3.07Å; M281-Y331 HydrophobicContact CG-CD2 3.94Å
282	F	94.3	Very high	73.3	Confident	7 Å²	7	77.3 Å²	77.3	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.2	176.2	176.6	-109	0	0	0	109.9	A259 S261 L262 C265 L284 N306 V329 F330	A259-F282 HydrophobicContact CB-CD2 4.09Å; A259-F282 HydrophobicContact CB-CE2 3.91Å; S261-F282 VanDerWaalsContact C-CE2 3.44Å; S261-F282 VanDerWaalsContact CA-CZ 3.44Å; S261-F282 WeakPolarHBondContact O-CE2 3.38Å; L262-F282 HydrophobicContact CB-CD1 3.77Å; L262-F282 HydrophobicContact CB-CE1 4.24Å; L262-F282 HydrophobicContact CB-CG 4.27Å; L262-F282 HydrophobicContact CD1-CB 3.72Å; L262-F282 HydrophobicContact CD1-CD1 4.37Å; L262-F282 HydrophobicContact CD1-CG 4.31Å; L262-F282 VanDerWaalsContact N-CE1 3.33Å; C265-F282 HydrophobicContact CB-CB 4.12Å; C265-F282 HydrophobicContact CB-CD2 3.8Å; C265-F282 HydrophobicContact CB-CG 4.25Å; F282-L284 HydrophobicContact CD1-CD2 4.48Å; F282-L284 HydrophobicContact CE1-CD2 3.62Å; F282-L284 HydrophobicContact CE1-CG 4.06Å; F282-L284 HydrophobicContact CZ-CD2 4.38Å; F282-N306 CarbonylContact C-O 3.48Å; F282-N306 WeakPolarHBondContact CA-O 3.24Å; F282-N306 WeakPolarHBondContact CE2-ND2 3.37Å; F282-V329 CarbonylContact O-C 3.58Å; F282-V329 WeakPolarHBondContact O-CA 3.47Å; F282-F330 HydrophobicContact CD1-CD2 4.24Å; F282-F330 PolarHBondContact N-O 2.81Å; F282-F330 PolarHBondContact O-N 3.46Å
283	F	90.2	Very high	70.6	Confident	1 Å²	1	83 Å²	83	0%	0.004	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.9	174.8	-67.7	-98.4	0	0	0	109.1	I248 M281 N306 I308 H327 V329	I248-F283 HydrophobicContact CD1-CE1 3.88Å; I248-F283 HydrophobicContact CD1-CZ 3.6Å; I248-F283 HydrophobicContact CG1-CZ 4.11Å; M281-F283 HydrophobicContact CB-CE2 3.98Å; F283-N306 HydrophobicContact CB-CB 4.26Å; F283-N306 PolarHBondContact N-O 3.21Å; F283-N306 VanDerWaalsContact O-CB 3.31Å; F283-N306 WeakPolarHBondContact O-CB 3.29Å; F283-N306 PolarHBondContact O-ND2 3.48Å; F283-I308 HydrophobicContact CD2-CD1 4.26Å; F283-I308 HydrophobicContact CE2-CD1 3.55Å; F283-I308 HydrophobicContact CE2-CG1 4.24Å; F283-I308 HydrophobicContact CZ-CD1 4.38Å; F283-H327 HydrophobicContact CD1-CB 3.87Å; F283-H327 HydrophobicContact CE1-CB 4.14Å; F283-V329 HydrophobicContact CD1-CB 3.85Å; F283-V329 HydrophobicContact CD1-CG2 4.01Å; F283-V329 HydrophobicContact CD2-CG2 4.03Å; F283-V329 HydrophobicContact CE1-CB 3.79Å; F283-V329 HydrophobicContact CE1-CG1 4.49Å; F283-V329 HydrophobicContact CE1-CG2 3.81Å; F283-V329 HydrophobicContact CE2-CG2 3.79Å; F283-V329 HydrophobicContact CG-CB 4.34Å; F283-V329 HydrophobicContact CG-CG2 4.13Å; F283-V329 HydrophobicContact CZ-CB 4.21Å; F283-V329 HydrophobicContact CZ-CG2 3.71Å
284	L	80.8	Confident	68.6	Low	57 Å²	57	81.3 Å²	81.3	30%	0.298	39%	0.386	S	S	.	.	S	Bend	trans	-72.7	-36.7	178.5	-79.4	162.7	0	0	0	112.3	R215 F282 T328 F330	R215-L284 VanDerWaalsContact CD-CD1 3.43Å; R215-L284 HydrophobicContact CG-CD1 3.68Å; F282-L284 HydrophobicContact CD1-CD2 4.48Å; F282-L284 HydrophobicContact CE1-CD2 3.62Å; F282-L284 HydrophobicContact CE1-CG 4.06Å; F282-L284 HydrophobicContact CZ-CD2 4.38Å; L284-T328 HydrophobicContact CD1-CG2 3.5Å; L284-T328 PolarHBondContact N-O 2.76Å; L284-F330 HydrophobicContact CD1-CD2 4.32Å; L284-F330 HydrophobicContact CD1-CE2 3.61Å; L284-F330 HydrophobicContact CD1-CZ 4.49Å; L284-F330 HydrophobicContact CG-CD2 4.44Å; L284-F330 HydrophobicContact CG-CE2 4.09Å
285	E	70.2	Confident	66.4	Low	113 Å²	113	84 Å²	84	53%	0.528	40%	0.396	S	S	.	.	S	Bend	trans	-101.5	104.8	171.9	-65.2	174	-171.7	0	0	105.9	G287	E285-G287 PolarHBondContact O-N 2.77Å; E285-G287 VanDerWaalsContact O-N 3.11Å
286	A	55.8	Low	64	Low	22 Å²	22	86.6 Å²	86.6	18%	0.182	42%	0.422	C	S	.	.			trans	-53.3	120.9	164	0	0	0	0	0	106.7	F288 R303 N306	A286-F288 PolarHBondContact O-N 3.34Å; A286-R303 VanDerWaalsContact CB-C 3.47Å; A286-R303 HydrophobicContact CB-CB 4.3Å; A286-R303 WeakPolarHBondContact CB-O 3.47Å; A286-N306 HydrophobicContact CB-CB 4.08Å
287	G	46.9	Very low	61.4	Low	34 Å²	34	88.7 Å²	88.7	35%	0.351	43%	0.432	S	S	.	.			trans	-40.9	125.6	-154.5	0	0	0	0	0	114.4	E285 Q289	E285-G287 PolarHBondContact O-N 2.77Å; E285-G287 VanDerWaalsContact O-N 3.11Å; G287-Q289 PolarHBondContact O-N 2.03Å
288	F	40.5	Very low	58.9	Low	141 Å²	141	95.6 Å²	95.6	62%	0.618	46%	0.462	S	S	*	.			trans	-71	96.5	168.7	-166.2	-117	0	0	0	107.8	A286 I290	A286-F288 PolarHBondContact O-N 3.34Å; F288-I290 HydrophobicContact CD1-CD1 3.99Å; F288-I290 HydrophobicContact CD1-CG1 3.31Å; F288-I290 HydrophobicContact CE1-CD1 3.88Å; F288-I290 HydrophobicContact CE1-CG1 3.25Å; F288-I290 HydrophobicContact CG-CG1 4.5Å; F288-I290 HydrophobicContact CZ-CG1 4.38Å; F288-I290 PolarHBondContact O-N 3.06Å; F288-I290 VanDerWaalsContact O-N 3.11Å
289	Q	39.4	Very low	56.3	Low	127 Å²	127	97 Å²	97	59%	0.593	48%	0.478	S	S	*	.			trans	-75.3	98	163.8	-161.2	165.2	11.3	0	0	107	G287 R291	G287-Q289 PolarHBondContact O-N 2.03Å; Q289-R291 HydrophobicContact CG-CG 4.17Å; Q289-R291 PolarHBondContact O-N 3.04Å
290	I	32.9	Very low	53.8	Low	117 Å²	117	102 Å²	102	60%	0.6	50%	0.504	S	S	*	.			trans	-62.7	85.3	156.4	-60.7	178.4	0	0	0	105.9	F288 L292	F288-I290 HydrophobicContact CD1-CD1 3.99Å; F288-I290 HydrophobicContact CD1-CG1 3.31Å; F288-I290 HydrophobicContact CE1-CD1 3.88Å; F288-I290 HydrophobicContact CE1-CG1 3.25Å; F288-I290 HydrophobicContact CG-CG1 4.5Å; F288-I290 HydrophobicContact CZ-CG1 4.38Å; F288-I290 PolarHBondContact O-N 3.06Å; F288-I290 VanDerWaalsContact O-N 3.11Å; I290-L292 HydrophobicContact CG2-CB 4.34Å; I290-L292 HydrophobicContact CG2-CD1 4.16Å; I290-L292 HydrophobicContact CG2-CG 3.75Å; I290-L292 PolarHBondContact O-N 2.84Å; I290-L292 VanDerWaalsContact O-N 3.15Å
291	R	35.5	Very low	51.2	Low	178 Å²	178	108.8 Å²	108.8	67%	0.672	54%	0.536	S	S	*	.			trans	-72.2	94	149.9	-79.8	-169.2	175.1	-177.9	-2.6	105.6	Q289 Q293	Q289-R291 HydrophobicContact CG-CG 4.17Å; Q289-R291 PolarHBondContact O-N 3.04Å; R291-Q293 PolarHBondContact O-N 3.26Å
292	L	35.8	Very low	48.8	Very low	157 Å²	157	111 Å²	111	82%	0.822	55%	0.548	S	S	*	.			trans	-67.7	67.2	151.1	-89	163.8	0	0	0	107.4	I290	I290-L292 HydrophobicContact CG2-CB 4.34Å; I290-L292 HydrophobicContact CG2-CD1 4.16Å; I290-L292 HydrophobicContact CG2-CG 3.75Å; I290-L292 PolarHBondContact O-N 2.84Å; I290-L292 VanDerWaalsContact O-N 3.15Å
293	Q	36.1	Very low	46.9	Very low	150 Å²	150	120.4 Å²	120.4	70%	0.701	58%	0.583	S	S	*	*			trans	-138	90.5	164.8	-79.7	-174.1	-32	0	0	107.1	R291 F295	R291-Q293 PolarHBondContact O-N 3.26Å; Q293-F295 PolarHBondContact O-N 3.2Å
294	I	46.2	Very low	46	Very low	146 Å²	146	121 Å²	121	75%	0.749	59%	0.589	S	S	*	*	S	Bend	trans	-22.7	124.3	152.5	-48.8	171.4	0	0	0	109
295	F	38.9	Very low	45.9	Very low	201 Å²	201	118.7 Å²	118.7	88%	0.882	58%	0.577	S	S	*	*			trans	83.8	68.6	178.9	-48.3	-73.9	0	0	0	118.2	Q293	Q293-F295 PolarHBondContact O-N 3.2Å
296	A	38.7	Very low	46.8	Very low	78 Å²	78	114 Å²	114	65%	0.645	56%	0.555	S	S	*	*			trans	-165.2	108.5	141	0	0	0	0	0	109.8	E298	A296-E298 PolarHBondContact O-N 3Å; A296-E298 VanDerWaalsContact O-N 3.08Å
297	Y	34.1	Very low	48.6	Very low	248 Å²	248	113 Å²	113	97%	0.973	55%	0.547	S	S	*	.			trans	-82.9	56.8	170.5	-141.6	-91.6	0	0	0	108.8
298	E	40.8	Very low	50.8	Low	161 Å²	161	111.4 Å²	111.4	75%	0.752	53%	0.531	S	S	*	.			trans	-86.7	124	162.9	-74	-174.6	175.4	0	0	106.7	A296 L300	A296-E298 PolarHBondContact O-N 3Å; A296-E298 VanDerWaalsContact O-N 3.08Å; E298-L300 PolarHBondContact O-N 3.49Å; E298-L300 VanDerWaalsContact O-N 3.11Å
299	P	38.2	Very low	53.4	Low	93 Å²	93	105 Å²	105	60%	0.604	50%	0.503	S	S	*	.			trans	-55.4	126	169	22.6	-29	0	0	0	107	Q301	P299-Q301 PolarHBondContact O-N 3.45Å
300	L	42.9	Very low	56	Low	107 Å²	107	99 Å²	99	56%	0.56	47%	0.474	S	S	*	.			trans	-63	71.5	165.1	-86.6	146.4	0	0	0	107.8	E298	E298-L300 PolarHBondContact O-N 3.49Å; E298-L300 VanDerWaalsContact O-N 3.11Å
301	Q	41	Very low	58.8	Low	142 Å²	142	95.5 Å²	95.5	66%	0.664	46%	0.459	S	S	*	.			trans	-78.9	-6.1	174.7	-122	158.2	-4.6	0	0	110.6	P299 R303	P299-Q301 PolarHBondContact O-N 3.45Å; Q301-R303 PolarHBondContact O-N 2.64Å
302	D	46.6	Very low	61.4	Low	51 Å²	51	89.2 Å²	89.2	27%	0.273	44%	0.437	S	S	.	.			trans	-86.5	33	174.2	-121.9	15.9	0	0	0	112	G304 Y381 R396	D302-G304 PolarHBondContact O-N 2.92Å; D302-Y381 VanDerWaalsContact OD1-CZ 3.29Å; D302-Y381 PolarHBondContact OD1-OH 3.26Å; D302-R396 IonicContact OD2-CZ 3.41Å; D302-R396 IonicContact OD2-NH1 2.66Å; D302-R396 PolarHBondContact OD2-NH1 3.39Å; D302-R396 IonicContact OD2-NH2 3.33Å; D302-R396 PolarHBondContact OD2-NH2 2.84Å
303	R	54.3	Low	64.1	Low	204 Å²	204	82.3 Å²	82.3	77%	0.77	40%	0.402	S	S	*	.			trans	-67.4	17.6	170	-74.9	-177.9	-178.5	179.9	0.2	113.2	A286 Q301	A286-R303 VanDerWaalsContact CB-C 3.47Å; A286-R303 HydrophobicContact CB-CB 4.3Å; A286-R303 WeakPolarHBondContact CB-O 3.47Å; Q301-R303 PolarHBondContact O-N 2.64Å
304	G	71.5	Confident	66.7	Low	13 Å²	13	75.7 Å²	75.7	13%	0.134	37%	0.372	C	S	.	.			trans	-81.9	-173	171.6	0	0	0	0	0	111.9	D258 D302	D258-G304 VanDerWaalsContact OD1-C 3.31Å; D258-G304 WeakPolarHBondContact OD1-CA 3.11Å; D302-G304 PolarHBondContact O-N 2.92Å
305	Q	78.3	Confident	68.6	Low	9 Å²	9	69.8 Å²	69.8	4%	0.042	35%	0.348	C	S	.	.			trans	71.8	33.8	166.8	-57.3	170.1	-39.4	0	0	113	V256 T257 D258 Y383 R392	V256-Q305 HydrophobicContact CG1-CB 3.69Å; V256-Q305 HydrophobicContact CG1-CG 4.29Å; T257-Q305 CarbonylContact O-C 3.39Å; T257-Q305 VanDerWaalsContact O-CA 3.25Å; T257-Q305 WeakPolarHBondContact O-CA 3.44Å; D258-Q305 PolarHBondContact OD1-N 2.85Å; Q305-Y383 PolarHBondContact NE2-OH 3.21Å; Q305-Y383 PolarHBondContact OE1-OH 2.99Å; Q305-R392 WeakPolarHBondContact O-CD 3.05Å
306	N	88	Confident	70.9	Confident	15 Å²	15	63 Å²	63	8%	0.08	33%	0.325	C	S	.	.			trans	-95.9	-2.4	-178.3	70.2	-37.3	0	0	0	113.6	T257 A259 F282 F283 A286	T257-N306 PolarHBondContact O-N 2.79Å; A259-N306 PolarHBondContact N-OD1 2.85Å; A259-N306 PolarHBondContact O-ND2 3.35Å; A259-N306 PolarHBondContact O-OD1 3.47Å; F282-N306 CarbonylContact C-O 3.48Å; F282-N306 WeakPolarHBondContact CA-O 3.24Å; F282-N306 WeakPolarHBondContact CE2-ND2 3.37Å; F283-N306 HydrophobicContact CB-CB 4.26Å; F283-N306 PolarHBondContact N-O 3.21Å; F283-N306 VanDerWaalsContact O-CB 3.31Å; F283-N306 WeakPolarHBondContact O-CB 3.29Å; F283-N306 PolarHBondContact O-ND2 3.48Å; A286-N306 HydrophobicContact CB-CB 4.08Å
307	C	93.1	Very high	73.2	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.9	173.6	-178.5	0	0	0	0	110.6	V256 T257 A259 C265 M281	V256-C307 WeakPolarHBondContact CA-O 3.35Å; T257-C307 HydrophobicContact CG2-CB 3.76Å; T257-C307 PolarHBondContact N-O 3.02Å; T257-C307 WeakPolarHBondContact O-CB 3.26Å; T257-C307 PolarHBondContact O-N 2.69Å; A259-C307 HydrophobicContact CB-CB 3.64Å; C265-C307 WeakPolarHBondContact CA-SG 3.3Å; C265-C307 HydrophobicContact CB-CB 3.8Å; C265-C307 WeakPolarHBondContact CB-SG 3.39Å; C265-C307 VanDerWaalsContact SG-CA 3.54Å; C265-C307 WeakPolarHBondContact SG-CB 3.18Å; C265-C307 CovalentContact SG-SG 2.03Å; C265-C307 PolarHBondContact SG-SG 2.79Å; M281-C307 WeakPolarHBondContact O-CA 3.49Å
308	I	94.4	Very high	75.8	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.9	179.7	-53.6	-178.6	0	0	0	108.5	A253 V256 G280 M281 F283 I391 R392	A253-I308 HydrophobicContact CB-CG2 3.37Å; V256-I308 HydrophobicContact CG1-CG1 4.47Å; V256-I308 HydrophobicContact CG2-CG1 4.47Å; V256-I308 HydrophobicContact CG2-CG2 4.48Å; G280-I308 CarbonylContact C-O 3.58Å; G280-I308 WeakPolarHBondContact CA-O 3.3Å; M281-I308 HydrophobicContact CB-CB 4.27Å; M281-I308 HydrophobicContact CE-CB 3.99Å; M281-I308 HydrophobicContact CE-CD1 4.07Å; M281-I308 HydrophobicContact CE-CG2 3.68Å; M281-I308 PolarHBondContact N-O 2.77Å; M281-I308 PolarHBondContact O-N 3.47Å; F283-I308 HydrophobicContact CD2-CD1 4.26Å; F283-I308 HydrophobicContact CE2-CD1 3.55Å; F283-I308 HydrophobicContact CE2-CG1 4.24Å; F283-I308 HydrophobicContact CZ-CD1 4.38Å; I308-I391 HydrophobicContact CD1-CG2 3.91Å; I308-R392 HydrophobicContact CD1-CG 4.5Å
309	L	95.2	Very high	77.9	Confident	6 Å²	6	56.7 Å²	56.7	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.1	-176	-55.8	-173.2	0	0	0	110.4	R254 A255 T257 C269 V272 F275	R254-L309 PolarHBondContact N-O 3.31Å; A255-L309 HydrophobicContact CB-CB 4.32Å; A255-L309 HydrophobicContact CB-CD1 4.4Å; A255-L309 PolarHBondContact N-O 3.44Å; A255-L309 PolarHBondContact O-N 2.93Å; T257-L309 HydrophobicContact CG2-CD1 4.42Å; T257-L309 HydrophobicContact CG2-CG 4.46Å; C269-L309 HydrophobicContact CB-CD2 3.74Å; V272-L309 HydrophobicContact CG1-CD1 4.48Å; F275-L309 HydrophobicContact CE2-CB 4.15Å; F275-L309 HydrophobicContact CZ-CB 3.66Å; F275-L309 HydrophobicContact CZ-CD1 4.15Å
310	N	94.3	Very high	80.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146	-173.5	-53.8	-52.5	0	0	0	112.1	L249 H252 A253 C277 K278 S279	L249-N310 HydrophobicContact CD2-CB 4.43Å; H252-N310 VanDerWaalsContact C-OD1 3.32Å; H252-N310 WeakPolarHBondContact O-CA 3.06Å; H252-N310 PolarHBondContact O-OD1 3.23Å; H252-N310 VanDerWaalsContact O-OD1 3.13Å; A253-N310 VanDerWaalsContact CA-OD1 3.25Å; A253-N310 WeakPolarHBondContact CA-OD1 3.42Å; A253-N310 PolarHBondContact N-OD1 3.1Å; C277-N310 WeakPolarHBondContact CA-O 3.31Å; K278-N310 PolarHBondContact N-O 3.18Å; S279-N310 PolarHBondContact N-O 2.78Å; S279-N310 WeakPolarHBondContact O-CA 2.95Å; S279-N310 WeakPolarHBondContact O-CB 3.29Å; S279-N310 PolarHBondContact O-N 3.04Å; S279-N310 PolarHBondContact OG-ND2 3.47Å
311	T	90.1	Very high	82.7	Confident	44 Å²	44	48.1 Å²	48.1	27%	0.27	24%	0.236	S	C	.	.	S	Bend	trans	-87	-9.4	168.7	50.7	0	0	0	0	112.9	R254 F275 K278	R254-T311 HydrophobicContact CB-CG2 4.06Å; R254-T311 HydrophobicContact CG-CG2 4.08Å; F275-T311 HydrophobicContact CB-CG2 4.28Å; F275-T311 HydrophobicContact CD2-CG2 3.57Å; F275-T311 HydrophobicContact CE2-CG2 4.3Å; F275-T311 HydrophobicContact CG-CG2 4.23Å; K278-T311 WeakPolarHBondContact CD-O 3.49Å; K278-T311 WeakPolarHBondContact CE-O 3.37Å; K278-T311 PolarHBondContact NZ-O 3.47Å
312	E	91.4	Very high	85	Confident	47 Å²	47	42.3 Å²	42.3	22%	0.22	21%	0.211	C	C	.	.	S	Bend	trans	-115.4	168.1	-178.4	-65.3	-56.8	150.3	0	0	111.9	L249 H252 S279 S316 K317	L249-E312 HydrophobicContact CD2-CB 4.02Å; H252-E312 HydrophobicContact CB-CB 3.87Å; H252-E312 HydrophobicContact CB-CG 4.06Å; S279-E312 VanDerWaalsContact CB-O 3.3Å; S279-E312 WeakPolarHBondContact CB-O 3.39Å; S279-E312 PolarHBondContact OG-O 3.44Å; E312-S316 WeakPolarHBondContact OE2-CB 3.45Å; E312-S316 PolarHBondContact OE2-OG 3.25Å; E312-K317 HydrophobicContact CB-CG 3.96Å; E312-K317 HydrophobicContact CG-CG 4.08Å
313	T	91.3	Very high	87.1	Confident	12 Å²	12	42.8 Å²	42.8	7%	0.074	22%	0.217	C	C	.	.			trans	-128.9	164.9	-178.3	63	0	0	0	0	111.4	K278 G315 S316 K317 Y331 T335	K278-T313 HydrophobicContact CB-CG2 3.83Å; K278-T313 HydrophobicContact CD-CG2 4.38Å; T313-G315 PolarHBondContact O-N 3.49Å; T313-G315 PolarHBondContact OG1-N 2.96Å; T313-S316 PolarHBondContact N-OG 3.23Å; T313-S316 PolarHBondContact O-N 3.08Å; T313-S316 PolarHBondContact O-OG 3.41Å; T313-S316 PolarHBondContact OG1-N 2.86Å; T313-S316 VanDerWaalsContact OG1-N 3.09Å; T313-S316 PolarHBondContact OG1-OG 3.23Å; T313-K317 PolarHBondContact O-N 3.33Å; T313-Y331 VanDerWaalsContact CA-OH 3.3Å; T313-Y331 WeakPolarHBondContact CA-OH 3.39Å; T313-T335 HydrophobicContact CG2-CG2 3.6Å
314	A	90.8	Very high	88.6	Confident	11 Å²	11	33.7 Å²	33.7	9%	0.091	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32	169.3	0	0	0	0	0	112.1	R318 F321 Y331	A314-R318 WeakPolarHBondContact O-CA 3.5Å; A314-R318 VanDerWaalsContact O-CG 3.29Å; A314-R318 WeakPolarHBondContact O-CG 3.11Å; A314-R318 PolarHBondContact O-N 2.87Å; A314-F321 HydrophobicContact CB-CB 4.29Å; A314-F321 HydrophobicContact CB-CD1 3.68Å; A314-F321 HydrophobicContact CB-CD2 3.66Å; A314-F321 HydrophobicContact CB-CE1 3.79Å; A314-F321 HydrophobicContact CB-CE2 3.78Å; A314-F321 HydrophobicContact CB-CG 3.6Å; A314-F321 HydrophobicContact CB-CZ 3.82Å; A314-Y331 HydrophobicContact CB-CE1 3.91Å; A314-Y331 PolarHBondContact N-OH 3Å
315	G	87.6	Confident	89.2	Confident	22 Å²	22	41.1 Å²	41.1	23%	0.227	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-40.6	177.3	0	0	0	0	0	113.8	T313	T313-G315 PolarHBondContact O-N 3.49Å; T313-G315 PolarHBondContact OG1-N 2.96Å
316	S	86.9	Confident	89.2	Confident	59 Å²	59	46.9 Å²	46.9	41%	0.413	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-22.8	-179.4	59.5	0	0	0	0	113.6	E312 T313	E312-S316 WeakPolarHBondContact OE2-CB 3.45Å; E312-S316 PolarHBondContact OE2-OG 3.25Å; T313-S316 PolarHBondContact N-OG 3.23Å; T313-S316 PolarHBondContact O-N 3.08Å; T313-S316 PolarHBondContact O-OG 3.41Å; T313-S316 PolarHBondContact OG1-N 2.86Å; T313-S316 VanDerWaalsContact OG1-N 3.09Å; T313-S316 PolarHBondContact OG1-OG 3.23Å
317	K	86.9	Confident	88.9	Confident	77 Å²	77	46.8 Å²	46.8	34%	0.335	24%	0.24	S	C	.	.			trans	-135.2	59.1	-175.4	-62.9	-65	179	-173.7	0	111.7	L249 E312 T313 D319 L320 F321	L249-K317 HydrophobicContact CD1-CB 3.79Å; E312-K317 HydrophobicContact CB-CG 3.96Å; E312-K317 HydrophobicContact CG-CG 4.08Å; T313-K317 PolarHBondContact O-N 3.33Å; K317-D319 VanDerWaalsContact C-N 3.34Å; K317-D319 PolarHBondContact O-N 2.87Å; K317-L320 PolarHBondContact O-N 2.01Å; K317-L320 VanDerWaalsContact O-N 3.17Å; K317-F321 PolarHBondContact O-N 2.66Å
318	R	87.4	Confident	88.6	Confident	153 Å²	153	49.4 Å²	49.4	58%	0.577	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-57.8	-40.9	-174.3	-64.4	-178	-176.4	-155.3	-0	113.6	A314 L320 F321	A314-R318 WeakPolarHBondContact O-CA 3.5Å; A314-R318 VanDerWaalsContact O-CG 3.29Å; A314-R318 WeakPolarHBondContact O-CG 3.11Å; A314-R318 PolarHBondContact O-N 2.87Å; R318-L320 PolarHBondContact O-N 3.13Å; R318-F321 PolarHBondContact O-N 2.89Å; R318-F321 VanDerWaalsContact O-N 3.16Å
319	D	86.9	Confident	88.4	Confident	123 Å²	123	49.3 Å²	49.3	66%	0.658	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.1	-177.1	-58.2	-33.3	0	0	0	113.4	K317 A358	K317-D319 VanDerWaalsContact C-N 3.34Å; K317-D319 PolarHBondContact O-N 2.87Å; D319-A358 HydrophobicContact CB-CB 4.42Å
320	L	88.4	Confident	88.3	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.042	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-104.4	5.7	178.3	-62.1	174.4	0	0	0	112.3	L249 V250 H252 K317 R318 A358 F359	L249-L320 HydrophobicContact CD1-CB 4.23Å; V250-L320 PolarHBondContact N-O 2.69Å; H252-L320 VanDerWaalsContact NE2-CD1 3.33Å; H252-L320 WeakPolarHBondContact NE2-CD1 3.23Å; K317-L320 PolarHBondContact O-N 2.01Å; K317-L320 VanDerWaalsContact O-N 3.17Å; R318-L320 PolarHBondContact O-N 3.13Å; L320-A358 HydrophobicContact CD2-CB 3.82Å; L320-F359 HydrophobicContact CD2-CD2 3.95Å; L320-F359 HydrophobicContact CD2-CE2 4.11Å
321	F	91.8	Very high	88.4	Confident	12 Å²	12	49.4 Å²	49.4	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	93.9	177.9	-169.8	-118.8	0	0	0	111.1	M244 R247 I248 L249 A314 K317 R318 Y331	M244-F321 HydrophobicContact SD-CE1 3.66Å; M244-F321 HydrophobicContact SD-CZ 3.55Å; M244-F321 VanDerWaalsContact SD-CZ 3.55Å; R247-F321 HydrophobicContact CB-CE1 4.14Å; R247-F321 HydrophobicContact CB-CE2 3.64Å; R247-F321 HydrophobicContact CB-CZ 3.37Å; R247-F321 HydrophobicContact CG-CE1 3.93Å; R247-F321 HydrophobicContact CG-CE2 4.35Å; R247-F321 HydrophobicContact CG-CZ 3.63Å; R247-F321 PolarHBondContact NH1-O 2.9Å; I248-F321 CarbonylContact O-C 3.57Å; I248-F321 WeakPolarHBondContact O-CA 3.1Å; I248-F321 WeakPolarHBondContact O-CD2 3.3Å; L249-F321 HydrophobicContact CB-CD2 4.34Å; A314-F321 HydrophobicContact CB-CB 4.29Å; A314-F321 HydrophobicContact CB-CD1 3.68Å; A314-F321 HydrophobicContact CB-CD2 3.66Å; A314-F321 HydrophobicContact CB-CE1 3.79Å; A314-F321 HydrophobicContact CB-CE2 3.78Å; A314-F321 HydrophobicContact CB-CG 3.6Å; A314-F321 HydrophobicContact CB-CZ 3.82Å; K317-F321 PolarHBondContact O-N 2.66Å; R318-F321 PolarHBondContact O-N 2.89Å; R318-F321 VanDerWaalsContact O-N 3.16Å; F321-Y331 AromaticContact CE2-CD1 3.68Å; F321-Y331 HydrophobicContact CE2-CD1 3.68Å; F321-Y331 AromaticContact CE2-CD2 3.74Å; F321-Y331 HydrophobicContact CE2-CD2 3.74Å; F321-Y331 AromaticContact CE2-CE1 3.92Å; F321-Y331 HydrophobicContact CE2-CE1 3.92Å; F321-Y331 AromaticContact CE2-CE2 3.98Å; F321-Y331 HydrophobicContact CE2-CE2 3.98Å; F321-Y331 AromaticContact CE2-CG 3.6Å; F321-Y331 HydrophobicContact CE2-CG 3.6Å; F321-Y331 AromaticContact CZ-CD1 3.75Å; F321-Y331 HydrophobicContact CZ-CD1 3.75Å; F321-Y331 HydrophobicContact CZ-CE1 4.1Å; F321-Y331 HydrophobicContact CZ-CG 4.03Å
322	T	89.7	Confident	88.7	Confident	21 Å²	21	47.4 Å²	47.4	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	154.3	-168.6	178.1	0	0	0	0	112	R247 I248 V250 K389	R247-T322 WeakPolarHBondContact CA-O 3.01Å; I248-T322 HydrophobicContact CB-CG2 4.35Å; I248-T322 PolarHBondContact N-O 2.95Å; I248-T322 PolarHBondContact O-N 3.16Å; V250-T322 HydrophobicContact CG2-CG2 3.64Å; T322-K389 HydrophobicContact CG2-CD 4.26Å; T322-K389 HydrophobicContact CG2-CG 4.43Å
323	P	91	Very high	88.8	Confident	61 Å²	61	45.4 Å²	45.4	40%	0.396	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	150.2	161.4	27.4	-35.7	0	0	0	112.2	Q246	Q246-P323 WeakPolarHBondContact O-CA 3.43Å
324	E	86	Confident	88.9	Confident	13 Å²	13	45.3 Å²	45.3	6%	0.061	23%	0.233	C	C	.	.			trans	-116.2	133.5	167.6	175.1	58.5	-88.1	0	0	109.4	Q246 I248 Q326 H327 V329	Q246-E324 PolarHBondContact O-N 3.32Å; I248-E324 HydrophobicContact CD1-CB 3.59Å; I248-E324 HydrophobicContact CD1-CG 3.63Å; I248-E324 WeakPolarHBondContact CD1-OE2 3.34Å; I248-E324 HydrophobicContact CG1-CB 3.86Å; I248-E324 HydrophobicContact CG1-CG 4.36Å; E324-Q326 WeakPolarHBondContact OE1-CB 3.34Å; E324-Q326 PolarHBondContact OE1-N 3.2Å; E324-H327 HydrophobicContact CG-CB 4.38Å; E324-H327 WeakPolarHBondContact CG-O 3.37Å; E324-H327 IonicContact OE2-ND1 2.78Å; E324-V329 HydrophobicContact CB-CG1 3.66Å; E324-V329 HydrophobicContact CG-CG1 3.78Å
325	E	84.1	Confident	88.6	Confident	169 Å²	169	46.6 Å²	46.6	79%	0.79	24%	0.24	S	C	*	.			trans	-120.5	-22.5	-173.6	-64.8	176.8	-175.9	0	0	112.2
326	Q	78	Confident	87.9	Confident	129 Å²	129	48 Å²	48	60%	0.603	25%	0.245	S	C	*	.	S	Bend	trans	-87.9	-30.1	-173.6	-59.1	-169.5	-24.7	0	0	112.8	E324	E324-Q326 WeakPolarHBondContact OE1-CB 3.34Å; E324-Q326 PolarHBondContact OE1-N 3.2Å
327	H	81.8	Confident	86.7	Confident	13 Å²	13	48.9 Å²	48.9	6%	0.06	25%	0.246	C	C	.	.	S	Bend	trans	-130	154.2	-175.8	-52	106.2	0	0	0	111.1	Q246 F283 E324 V329 R393	Q246-H327 PolarHBondContact NE2-O 3.47Å; Q246-H327 PolarHBondContact OE1-O 2.82Å; Q246-H327 VanDerWaalsContact OE1-O 3.1Å; F283-H327 HydrophobicContact CD1-CB 3.87Å; F283-H327 HydrophobicContact CE1-CB 4.14Å; E324-H327 HydrophobicContact CG-CB 4.38Å; E324-H327 WeakPolarHBondContact CG-O 3.37Å; E324-H327 IonicContact OE2-ND1 2.78Å; H327-V329 PolarHBondContact O-N 3.15Å; H327-R393 PolarHBondContact CE1-NH2 3.12Å; H327-R393 VanDerWaalsContact CE1-NH2 3.26Å
328	T	86	Confident	85	Confident	56 Å²	56	48.2 Å²	48.2	34%	0.344	25%	0.249	S	C	.	.			trans	-83	113.2	170.3	-47	0	0	0	0	109.8	L284	L284-T328 HydrophobicContact CD1-CG2 3.5Å; L284-T328 PolarHBondContact N-O 2.76Å
329	V	90.7	Very high	82.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.5	-175.5	63	0	0	0	0	111.5	Q246 I248 M281 F282 F283 E324 H327	Q246-V329 PolarHBondContact N-O 2.93Å; Q246-V329 PolarHBondContact OE1-O 3.31Å; I248-V329 HydrophobicContact CD1-CG1 4.39Å; I248-V329 HydrophobicContact CG1-CG1 3.99Å; I248-V329 HydrophobicContact CG1-CG2 4.26Å; M281-V329 HydrophobicContact CB-CG2 4.02Å; F282-V329 CarbonylContact O-C 3.58Å; F282-V329 WeakPolarHBondContact O-CA 3.47Å; F283-V329 HydrophobicContact CD1-CB 3.85Å; F283-V329 HydrophobicContact CD1-CG2 4.01Å; F283-V329 HydrophobicContact CD2-CG2 4.03Å; F283-V329 HydrophobicContact CE1-CB 3.79Å; F283-V329 HydrophobicContact CE1-CG1 4.49Å; F283-V329 HydrophobicContact CE1-CG2 3.81Å; F283-V329 HydrophobicContact CE2-CG2 3.79Å; F283-V329 HydrophobicContact CG-CB 4.34Å; F283-V329 HydrophobicContact CG-CG2 4.13Å; F283-V329 HydrophobicContact CZ-CB 4.21Å; F283-V329 HydrophobicContact CZ-CG2 3.71Å; E324-V329 HydrophobicContact CB-CG1 3.66Å; E324-V329 HydrophobicContact CG-CG1 3.78Å; H327-V329 PolarHBondContact O-N 3.15Å
330	F	94.2	Very high	81	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.4	167.4	-67.4	-82.2	0	0	0	109.5	L214 R215 V243 M244 Q245 L262 M281 F282 L284	L214-F330 HydrophobicContact CB-CE1 3.77Å; L214-F330 HydrophobicContact CB-CZ 3.97Å; R215-F330 HydrophobicContact CG-CE2 4.06Å; R215-F330 HydrophobicContact CG-CZ 3.84Å; V243-F330 HydrophobicContact CG1-CB 4.15Å; V243-F330 HydrophobicContact CG1-CD1 3.71Å; V243-F330 HydrophobicContact CG1-CG 4.34Å; M244-F330 WeakPolarHBondContact O-CA 3.49Å; Q245-F330 HydrophobicContact CG-CD1 3.91Å; Q245-F330 HydrophobicContact CG-CE1 3.53Å; Q245-F330 HydrophobicContact CG-CZ 4.48Å; L262-F330 HydrophobicContact CD1-CB 3.93Å; L262-F330 HydrophobicContact CD2-CB 4.26Å; L262-F330 HydrophobicContact CD2-CG 4.26Å; M281-F330 CarbonylContact C-O 3.59Å; M281-F330 VanDerWaalsContact CA-O 3.31Å; M281-F330 WeakPolarHBondContact CA-O 3.07Å; F282-F330 HydrophobicContact CD1-CD2 4.24Å; F282-F330 PolarHBondContact N-O 2.81Å; F282-F330 PolarHBondContact O-N 3.46Å; L284-F330 HydrophobicContact CD1-CD2 4.32Å; L284-F330 HydrophobicContact CD1-CE2 3.61Å; L284-F330 HydrophobicContact CD1-CZ 4.49Å; L284-F330 HydrophobicContact CG-CD2 4.44Å; L284-F330 HydrophobicContact CG-CE2 4.09Å
331	Y	96.2	Very high	78.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.3	164.4	175	-96.7	0	0	0	109.3	V243 M244 R247 L249 S279 G280 M281 T313 A314 F321 D333	V243-Y331 CarbonylContact C-O 3.48Å; V243-Y331 VanDerWaalsContact CA-O 3.29Å; V243-Y331 WeakPolarHBondContact CA-O 3.12Å; M244-Y331 HydrophobicContact CB-CD1 4.46Å; M244-Y331 PolarHBondContact N-O 3.09Å; M244-Y331 PolarHBondContact O-N 2.79Å; M244-Y331 HydrophobicContact SD-CD1 4.49Å; R247-Y331 WeakPolarHBondContact O-CB 3.09Å; L249-Y331 HydrophobicContact CB-CD2 4.46Å; L249-Y331 HydrophobicContact CB-CE2 4.01Å; S279-Y331 VanDerWaalsContact CB-OH 3.23Å; S279-Y331 WeakPolarHBondContact CB-OH 3.48Å; S279-Y331 WeakPolarHBondContact OG-CE2 3.46Å; S279-Y331 VanDerWaalsContact OG-CZ 3.3Å; S279-Y331 PolarHBondContact OG-OH 3.22Å; G280-Y331 WeakPolarHBondContact O-CA 3.47Å; G280-Y331 WeakPolarHBondContact O-CD2 3.42Å; M281-Y331 HydrophobicContact CG-CD2 3.94Å; T313-Y331 VanDerWaalsContact CA-OH 3.3Å; T313-Y331 WeakPolarHBondContact CA-OH 3.39Å; A314-Y331 HydrophobicContact CB-CE1 3.91Å; A314-Y331 PolarHBondContact N-OH 3Å; F321-Y331 AromaticContact CE2-CD1 3.68Å; F321-Y331 HydrophobicContact CE2-CD1 3.68Å; F321-Y331 AromaticContact CE2-CD2 3.74Å; F321-Y331 HydrophobicContact CE2-CD2 3.74Å; F321-Y331 AromaticContact CE2-CE1 3.92Å; F321-Y331 HydrophobicContact CE2-CE1 3.92Å; F321-Y331 AromaticContact CE2-CE2 3.98Å; F321-Y331 HydrophobicContact CE2-CE2 3.98Å; F321-Y331 AromaticContact CE2-CG 3.6Å; F321-Y331 HydrophobicContact CE2-CG 3.6Å; F321-Y331 AromaticContact CZ-CD1 3.75Å; F321-Y331 HydrophobicContact CZ-CD1 3.75Å; F321-Y331 HydrophobicContact CZ-CE1 4.1Å; F321-Y331 HydrophobicContact CZ-CG 4.03Å; Y331-D333 HydrophobicContact CE1-CB 3.99Å
332	F	96	Very high	76.4	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.5	172.2	62	-94	0	0	0	112	R242 V243 L262 C265 V266 C269 S279 G280 L334	R242-F332 CarbonylContact O-C 3.54Å; R242-F332 WeakPolarHBondContact O-CA 3.39Å; V243-F332 HydrophobicContact CG2-CB 4.23Å; L262-F332 HydrophobicContact CD1-CD1 3.82Å; L262-F332 HydrophobicContact CD1-CE1 4.41Å; C265-F332 HydrophobicContact CB-CE1 4.32Å; C265-F332 VanDerWaalsContact SG-CE1 3.55Å; V266-F332 HydrophobicContact CG2-CB 4.34Å; V266-F332 HydrophobicContact CG2-CD1 3.96Å; V266-F332 HydrophobicContact CG2-CD2 3.84Å; V266-F332 HydrophobicContact CG2-CE1 4.16Å; V266-F332 HydrophobicContact CG2-CE2 4.03Å; V266-F332 HydrophobicContact CG2-CG 3.78Å; V266-F332 HydrophobicContact CG2-CZ 4.17Å; C269-F332 HydrophobicContact CB-CE2 3.78Å; C269-F332 HydrophobicContact CB-CZ 4.06Å; S279-F332 CarbonylContact C-O 3.57Å; S279-F332 WeakPolarHBondContact CA-O 3.38Å; S279-F332 WeakPolarHBondContact CB-O 3.46Å; S279-F332 PolarHBondContact OG-O 2.99Å; G280-F332 VanDerWaalsContact N-CE2 3.32Å; G280-F332 PolarHBondContact N-O 3.36Å; G280-F332 WeakPolarHBondContact O-CD1 3.07Å; G280-F332 PolarHBondContact O-N 3.14Å; F332-L334 HydrophobicContact CD2-CD1 4.28Å; F332-L334 HydrophobicContact CD2-CD2 3.7Å; F332-L334 HydrophobicContact CD2-CG 3.84Å; F332-L334 HydrophobicContact CE2-CD1 4.08Å; F332-L334 HydrophobicContact CE2-CD2 4.3Å; F332-L334 HydrophobicContact CE2-CG 4.11Å
333	D	93.5	Very high	73.8	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.8	178.8	-179.1	-2.5	0	0	0	109	R242 Y331 T335	R242-D333 HydrophobicContact CB-CB 4.48Å; R242-D333 IonicContact CZ-OD2 2.85Å; R242-D333 PolarHBondContact N-O 2.68Å; R242-D333 VanDerWaalsContact N-O 3.09Å; R242-D333 IonicContact NE-OD2 3.22Å; R242-D333 IonicContact NH2-OD2 2.71Å; R242-D333 PolarHBondContact NH2-OD2 3.06Å; R242-D333 PolarHBondContact O-N 3.21Å; Y331-D333 HydrophobicContact CE1-CB 3.99Å; D333-T335 VanDerWaalsContact OD1-CB 3.29Å; D333-T335 WeakPolarHBondContact OD1-CB 3.06Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.37Å; D333-T335 PolarHBondContact OD1-N 2.59Å; D333-T335 PolarHBondContact OD1-OG1 3.19Å; D333-T335 PolarHBondContact OD2-OG1 3.41Å
334	L	92.1	Very high	71	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.058	33%	0.325	C	S	.	.			trans	-100.7	6.7	-176.8	-49.7	-173.5	0	0	0	112	F241 V266 C269 L270 K278 F332	F241-L334 HydrophobicContact CB-CD2 3.98Å; F241-L334 HydrophobicContact CD1-CB 4.18Å; F241-L334 HydrophobicContact CD1-CD2 4Å; F241-L334 HydrophobicContact CD2-CD2 3.61Å; F241-L334 HydrophobicContact CE1-CB 4.02Å; F241-L334 HydrophobicContact CE1-CD2 4.34Å; F241-L334 HydrophobicContact CE2-CD2 3.98Å; F241-L334 HydrophobicContact CG-CD2 3.61Å; F241-L334 HydrophobicContact CZ-CB 4.35Å; F241-L334 HydrophobicContact CZ-CD2 4.32Å; V266-L334 HydrophobicContact CG1-CD1 4.33Å; V266-L334 HydrophobicContact CG1-CD2 3.92Å; C269-L334 HydrophobicContact CB-CD1 3.84Å; C269-L334 WeakPolarHBondContact SG-CD1 3.39Å; L270-L334 HydrophobicContact CD2-CD1 3.76Å; L270-L334 HydrophobicContact CG-CD1 3.88Å; K278-L334 PolarHBondContact O-N 3.29Å; F332-L334 HydrophobicContact CD2-CD1 4.28Å; F332-L334 HydrophobicContact CD2-CD2 3.7Å; F332-L334 HydrophobicContact CD2-CG 3.84Å; F332-L334 HydrophobicContact CE2-CD1 4.08Å; F332-L334 HydrophobicContact CE2-CD2 4.3Å; F332-L334 HydrophobicContact CE2-CG 4.11Å
335	T	85.7	Confident	68.7	Low	37 Å²	37	63.8 Å²	63.8	23%	0.227	35%	0.351	C	S	.	.			trans	-72	135.1	178.9	61.8	0	0	0	0	111.8	K278 T313 D333 N337	K278-T335 HydrophobicContact CB-CG2 3.99Å; K278-T335 HydrophobicContact CD-CG2 4.34Å; K278-T335 HydrophobicContact CG-CG2 4.42Å; T313-T335 HydrophobicContact CG2-CG2 3.6Å; D333-T335 VanDerWaalsContact OD1-CB 3.29Å; D333-T335 WeakPolarHBondContact OD1-CB 3.06Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.37Å; D333-T335 PolarHBondContact OD1-N 2.59Å; D333-T335 PolarHBondContact OD1-OG1 3.19Å; D333-T335 PolarHBondContact OD2-OG1 3.41Å; T335-N337 PolarHBondContact O-N 2.9Å
336	C	73.4	Confident	66.3	Low	51 Å²	51	65.9 Å²	65.9	35%	0.345	35%	0.351	S	S	.	.			trans	-81.2	42.2	-179.9	-61.9	0	0	0	0	112.9	C237	C237-C336 HydrophobicContact CB-CB 3.24Å; C237-C336 WeakPolarHBondContact CB-SG 3.5Å; C237-C336 WeakPolarHBondContact SG-CB 3.22Å; C237-C336 CovalentContact SG-SG 2.03Å; C237-C336 PolarHBondContact SG-SG 3.03Å
337	N	61.1	Low	64.1	Low	79 Å²	79	64.4 Å²	64.4	42%	0.422	36%	0.355	S	S	.	.			trans	-114.5	117.4	-172.5	-153.5	0.3	0	0	0	112.7	T335 D339	T335-N337 PolarHBondContact O-N 2.9Å; N337-D339 PolarHBondContact O-N 3.01Å; N337-D339 WeakPolarHBondContact OD1-CB 3.36Å; N337-D339 PolarHBondContact OD1-N 3.38Å
338	P	51	Low	62.1	Low	63 Å²	63	69.5 Å²	69.5	41%	0.409	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23	171	29.1	-34.2	0	0	0	112.4	Y239 I340 S341	Y239-P338 HydrophobicContact CD1-CB 4.48Å; Y239-P338 HydrophobicContact CE1-CB 3.85Å; Y239-P338 HydrophobicContact CE1-CG 4.47Å; Y239-P338 HydrophobicContact CE2-CB 4.01Å; Y239-P338 HydrophobicContact CE2-CG 3.79Å; P338-I340 CarbonylContact O-C 3.6Å; P338-I340 PolarHBondContact O-N 2.04Å; P338-S341 PolarHBondContact O-N 3.05Å
339	D	44.1	Very low	59.7	Low	135 Å²	135	77.4 Å²	77.4	72%	0.722	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	8.4	-164.7	-130	-1.5	0	0	0	114.8	N337 S341	N337-D339 PolarHBondContact O-N 3.01Å; N337-D339 WeakPolarHBondContact OD1-CB 3.36Å; N337-D339 PolarHBondContact OD1-N 3.38Å; D339-S341 PolarHBondContact O-N 2.05Å
340	I	46.6	Very low	57.2	Low	46 Å²	46	85.6 Å²	85.6	24%	0.236	44%	0.439	C	S	.	.	S	Bend	trans	-95	67.2	157.9	-54.3	169.9	0	0	0	106.4	P338 C342	P338-I340 CarbonylContact O-C 3.6Å; P338-I340 PolarHBondContact O-N 2.04Å; I340-C342 PolarHBondContact O-N 3.38Å
341	S	41	Very low	54.5	Low	82 Å²	82	88.6 Å²	88.6	57%	0.573	47%	0.465	S	S	*	.			trans	-57.3	103.2	168.4	127.6	0	0	0	0	108.4	P338 D339 T343	P338-S341 PolarHBondContact O-N 3.05Å; D339-S341 PolarHBondContact O-N 2.05Å; S341-T343 PolarHBondContact O-N 3.22Å; S341-T343 PolarHBondContact OG-OG1 2.91Å
342	C	41.5	Very low	51.8	Low	55 Å²	55	93.6 Å²	93.6	37%	0.372	50%	0.5	S	S	.	.			trans	-78.9	13.3	164.3	-81.2	0	0	0	0	112.3	I340 R344 A345	I340-C342 PolarHBondContact O-N 3.38Å; C342-R344 CarbonylContact O-C 3.38Å; C342-R344 PolarHBondContact O-N 2.9Å; C342-A345 PolarHBondContact O-N 2.88Å
343	T	37	Very low	49.3	Very low	127 Å²	127	96.5 Å²	96.5	78%	0.779	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	2.3	170.6	5.8	0	0	0	0	113.4	S341	S341-T343 PolarHBondContact O-N 3.22Å; S341-T343 PolarHBondContact OG-OG1 2.91Å
344	R	31.6	Very low	47.1	Very low	199 Å²	199	98.9 Å²	98.9	75%	0.751	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	87.3	153.8	-72.8	-176.1	179	166.9	0.7	111.2	C342 R346	C342-R344 CarbonylContact O-C 3.38Å; C342-R344 PolarHBondContact O-N 2.9Å; R344-R346 HydrophobicContact CB-CB 4.21Å; R344-R346 PolarHBondContact O-N 2.91Å
345	A	37.9	Very low	45	Very low	74 Å²	74	99 Å²	99	61%	0.612	54%	0.543	S	S	*	.			trans	-54.2	-4.8	146.8	0	0	0	0	0	112.9	C342 S347	C342-A345 PolarHBondContact O-N 2.88Å; A345-S347 PolarHBondContact O-N 2.91Å; A345-S347 VanDerWaalsContact O-N 3.09Å
346	R	33.1	Very low	43.2	Very low	213 Å²	213	104.5 Å²	104.5	80%	0.804	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	98.3	161.4	-77.6	-176.5	173.5	174	-1.2	109.6	R344	R344-R346 HydrophobicContact CB-CB 4.21Å; R344-R346 PolarHBondContact O-N 2.91Å
347	S	32.7	Very low	41.9	Very low	97 Å²	97	110.9 Å²	110.9	68%	0.678	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.8	50.4	165.3	91.2	0	0	0	0	118.3	A345 R349	A345-S347 PolarHBondContact O-N 2.91Å; A345-S347 VanDerWaalsContact O-N 3.09Å; S347-R349 VanDerWaalsContact CA-N 3.29Å; S347-R349 PolarHBondContact O-N 2.8Å; S347-R349 VanDerWaalsContact O-N 3.08Å
348	F	38.8	Very low	41.5	Very low	121 Å²	121	108.7 Å²	108.7	53%	0.531	58%	0.576	S	S	.	*				-69.4	73.3	120.6	-90.1	-88.5	0	0	0	105.8	E350	F348-E350 PolarHBondContact O-N 3.43Å; F348-E350 VanDerWaalsContact O-N 3.07Å
349	R	35.1	Very low	41.4	Very low	221 Å²	221	106.9 Å²	106.9	83%	0.834	56%	0.561	S	S	*	*			trans	-55.3	121.1	155.4	-91.8	-176.8	169.6	179.6	-2.9	102.4	S347 A351	S347-R349 VanDerWaalsContact CA-N 3.29Å; S347-R349 PolarHBondContact O-N 2.8Å; S347-R349 VanDerWaalsContact O-N 3.08Å; R349-A351 VanDerWaalsContact C-N 3.31Å; R349-A351 PolarHBondContact O-N 2.84Å
350	E	37.9	Very low	41.7	Very low	173 Å²	173	108.6 Å²	108.6	81%	0.808	57%	0.565	S	S	*	*			trans	-36.3	108.4	164.1	-73.5	164.2	153.1	0	0	105.7	F348 S352	F348-E350 PolarHBondContact O-N 3.43Å; F348-E350 VanDerWaalsContact O-N 3.07Å; E350-S352 PolarHBondContact O-N 2.84Å; E350-S352 PolarHBondContact O-OG 2.79Å
351	A	39	Very low	41.8	Very low	69 Å²	69	114 Å²	114	57%	0.57	59%	0.594	S	S	*	*			trans	-65.9	83.2	162.2	0	0	0	0	0	102.9	R349 A353	R349-A351 VanDerWaalsContact C-N 3.31Å; R349-A351 PolarHBondContact O-N 2.84Å; A351-A353 PolarHBondContact O-N 2.81Å
352	S	39.4	Very low	42.5	Very low	107 Å²	107	112.3 Å²	112.3	75%	0.748	58%	0.581	S	S	*	*			trans	-73.7	6.5	173.4	43.2	0	0	0	0	110.4	E350 P354	E350-S352 PolarHBondContact O-N 2.84Å; E350-S352 PolarHBondContact O-OG 2.79Å; S352-P354 VanDerWaalsContact O-CD 3.32Å; S352-P354 WeakPolarHBondContact O-CD 3.21Å
353	A	42.3	Very low	43.1	Very low	61 Å²	61	118.2 Å²	118.2	50%	0.504	60%	0.603	S	S	.	*	S	Bend	trans	-62.5	118.1	158.1	0	0	0	0	0	107.5	A351 A355	A351-A353 PolarHBondContact O-N 2.81Å; A353-A355 PolarHBondContact O-N 2.86Å
354	P	46.8	Very low	44.2	Very low	55 Å²	55	113.6 Å²	113.6	36%	0.357	57%	0.573	S	S	.	*			trans	-54.1	132.1	174.1	-19.6	29.9	0	0	0	108	S352 E356 R357	S352-P354 VanDerWaalsContact O-CD 3.32Å; S352-P354 WeakPolarHBondContact O-CD 3.21Å; P354-E356 HydrophobicContact CB-CB 4.2Å; P354-E356 PolarHBondContact O-N 2.91Å; P354-R357 PolarHBondContact O-N 3.21Å
355	A	48.7	Very low	45.8	Very low	15 Å²	15	108.4 Å²	108.4	12%	0.124	57%	0.568	C	S	.	*	H	α-helix	trans	-47.7	-28	174.4	0	0	0	0	0	111.9	A353 R357 A358 F359	A353-A355 PolarHBondContact O-N 2.86Å; A355-R357 VanDerWaalsContact C-N 3.32Å; A355-R357 PolarHBondContact O-N 3.26Å; A355-A358 PolarHBondContact O-N 3.16Å; A355-F359 PolarHBondContact O-N 3.47Å
356	E	47.7	Very low	48.1	Very low	151 Å²	151	106.5 Å²	106.5	71%	0.706	56%	0.555	S	S	*	*	H	α-helix	trans	-53.8	-37.8	172	-61.4	175.5	170.7	0	0	114.3	P354 F359	P354-E356 HydrophobicContact CB-CB 4.2Å; P354-E356 PolarHBondContact O-N 2.91Å; E356-F359 WeakPolarHBondContact O-CB 3.49Å
357	R	47.5	Very low	50.9	Low	185 Å²	185	99.3 Å²	99.3	70%	0.698	53%	0.528	S	S	*	.	H	α-helix	trans	-76.6	-37.6	179.5	-75	-173.3	-175.2	159.5	1.9	112.9	P354 A355 F359	P354-R357 PolarHBondContact O-N 3.21Å; A355-R357 VanDerWaalsContact C-N 3.32Å; A355-R357 PolarHBondContact O-N 3.26Å; R357-F359 PolarHBondContact O-N 3.19Å
358	A	51.2	Low	53.6	Low	33 Å²	33	94.9 Å²	94.9	27%	0.273	50%	0.497	S	S	.	.	H	α-helix	trans	-66.6	-23.1	175.5	0	0	0	0	0	111.9	D319 L320 A355	D319-A358 HydrophobicContact CB-CB 4.42Å; L320-A358 HydrophobicContact CD2-CB 3.82Å; A355-A358 PolarHBondContact O-N 3.16Å
359	F	50.1	Low	56	Low	25 Å²	25	91.1 Å²	91.1	11%	0.11	48%	0.482	C	S	.	.	H	α-helix	trans	-71	-30.3	-178.5	-118.1	-92.6	0	0	0	115.3	V250 L320 A355 E356 R357 N361 T362 L364 C386 G387	V250-F359 HydrophobicContact CB-CE2 3.96Å; V250-F359 HydrophobicContact CG1-CD2 4.42Å; V250-F359 HydrophobicContact CG1-CE2 3.34Å; V250-F359 HydrophobicContact CG1-CZ 3.76Å; L320-F359 HydrophobicContact CD2-CD2 3.95Å; L320-F359 HydrophobicContact CD2-CE2 4.11Å; A355-F359 PolarHBondContact O-N 3.47Å; E356-F359 WeakPolarHBondContact O-CB 3.49Å; R357-F359 PolarHBondContact O-N 3.19Å; F359-N361 PolarHBondContact O-N 2.85Å; F359-T362 PolarHBondContact O-N 2.59Å; F359-L364 HydrophobicContact CD1-CD1 3.65Å; F359-L364 HydrophobicContact CE1-CD1 2.92Å; F359-L364 HydrophobicContact CE1-CG 4.34Å; F359-L364 HydrophobicContact CE2-CD1 4.26Å; F359-L364 HydrophobicContact CZ-CD1 3.3Å; F359-C386 WeakPolarHBondContact CE1-O 3.28Å; F359-C386 WeakPolarHBondContact CZ-O 3.06Å; F359-G387 VanDerWaalsContact CD1-CA 3.42Å; F359-G387 VanDerWaalsContact CE1-N 3.34Å
360	Q	50.7	Low	58.5	Low	172 Å²	172	83.4 Å²	83.4	80%	0.804	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.9	-175.6	-72.2	-177.1	-13.4	0	0	113.4
361	N	48.8	Very low	60.7	Low	158 Å²	158	75.6 Å²	75.6	85%	0.845	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-3.3	-178.3	-78.9	-5.6	0	0	0	114.9	F359	F359-N361 PolarHBondContact O-N 2.85Å
362	T	53.8	Low	62.8	Low	48 Å²	48	76.3 Å²	76.3	29%	0.294	42%	0.417	S	S	.	.	S	Bend	trans	-98.8	109.7	178.3	-48.6	0	0	0	0	108.5	F359 L364	F359-T362 PolarHBondContact O-N 2.59Å; T362-L364 HydrophobicContact CG2-CD1 4.17Å; T362-L364 HydrophobicContact CG2-CG 3.96Å; T362-L364 PolarHBondContact O-N 2.93Å
363	E	54.8	Low	64.9	Low	178 Å²	178	72.6 Å²	72.6	83%	0.832	39%	0.39	S	S	*	.			trans	-67.1	82.8	174.5	-164.5	169.8	-161.7	0	0	109.5	S365	E363-S365 PolarHBondContact O-N 3.05Å
364	L	61.3	Low	66.6	Low	30 Å²	30	70.2 Å²	70.2	16%	0.157	37%	0.37	C	S	.	.			trans	-84.2	62.4	175.3	-77.5	155.8	0	0	0	108.8	G251 F359 T362 Q385	G251-L364 WeakPolarHBondContact O-CD2 3.42Å; F359-L364 HydrophobicContact CD1-CD1 3.65Å; F359-L364 HydrophobicContact CE1-CD1 2.92Å; F359-L364 HydrophobicContact CE1-CG 4.34Å; F359-L364 HydrophobicContact CE2-CD1 4.26Å; F359-L364 HydrophobicContact CZ-CD1 3.3Å; T362-L364 HydrophobicContact CG2-CD1 4.17Å; T362-L364 HydrophobicContact CG2-CG 3.96Å; T362-L364 PolarHBondContact O-N 2.93Å; L364-Q385 HydrophobicContact CB-CB 4.04Å; L364-Q385 HydrophobicContact CD2-CB 4.07Å
365	S	65.2	Low	68	Low	91 Å²	91	75 Å²	75	64%	0.636	39%	0.385	S	S	*	.			trans	-91.8	110.8	173.7	63.7	0	0	0	0	108.9	E363	E363-S365 PolarHBondContact O-N 3.05Å
366	G	85.8	Confident	69.1	Low	33 Å²	33	79.5 Å²	79.5	34%	0.34	41%	0.411	S	S	.	.	S	Bend	trans	152.2	180	170.8	0	0	0	0	0	115.1	Q385	G366-Q385 PolarHBondContact O-N 3.45Å
367	W	91.6	Very high	70.6	Confident	63 Å²	63	73.9 Å²	73.9	24%	0.239	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-112.2	151.1	173.8	-68.3	86.1	0	0	0	109.6	R382 Y383 K384 E395 E397	W367-R382 HydrophobicContact CD2-CG 4.44Å; W367-R382 HydrophobicContact CE3-CB 4.4Å; W367-R382 HydrophobicContact CE3-CG 3.73Å; W367-R382 HydrophobicContact CZ3-CG 4.33Å; W367-Y383 CarbonylContact C-O 3.53Å; W367-Y383 WeakPolarHBondContact CA-O 3.36Å; W367-K384 HydrophobicContact CD2-CB 4.27Å; W367-K384 HydrophobicContact CE3-CB 4.04Å; W367-K384 VanDerWaalsContact CE3-N 3.27Å; W367-K384 HydrophobicContact CH2-CB 3.9Å; W367-K384 HydrophobicContact CZ2-CB 4.15Å; W367-K384 HydrophobicContact CZ2-CD 4.25Å; W367-K384 HydrophobicContact CZ2-CG 4.34Å; W367-K384 HydrophobicContact CZ3-CB 3.85Å; W367-E395 HydrophobicContact CH2-CG 4.29Å; W367-E397 HydrophobicContact CH2-CB 4.49Å; W367-E397 HydrophobicContact CH2-CG 3.66Å; W367-E397 HydrophobicContact CZ2-CG 4.26Å; W367-E397 HydrophobicContact CZ3-CB 4.2Å; W367-E397 HydrophobicContact CZ3-CG 3.85Å
368	T	89.1	Confident	72.4	Confident	4 Å²	4	70.8 Å²	70.8	3%	0.025	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.7	161	162.4	67.2	0	0	0	0	110	R254 V256 R382 Y383 I391	R254-T368 CarbonylContact O-C 3.54Å; R254-T368 VanDerWaalsContact O-CA 3.28Å; R254-T368 WeakPolarHBondContact O-CA 3.45Å; R254-T368 VanDerWaalsContact O-CB 3.28Å; R254-T368 WeakPolarHBondContact O-CB 3.42Å; V256-T368 HydrophobicContact CG2-CG2 4.41Å; T368-R382 WeakPolarHBondContact OG1-CA 3.37Å; T368-Y383 PolarHBondContact N-O 2.02Å; T368-Y383 PolarHBondContact OG1-N 3.09Å; T368-I391 HydrophobicContact CG2-CD1 3.55Å
369	D	88.7	Confident	74.1	Confident	42 Å²	42	73.2 Å²	73.2	23%	0.225	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60.4	156.3	163.6	-63.9	-39.6	0	0	0	109.7	R254 A255 F275	R254-D369 IonicContact CZ-OD1 3Å; R254-D369 VanDerWaalsContact CZ-OD1 3.25Å; R254-D369 IonicContact CZ-OD2 3.25Å; R254-D369 VanDerWaalsContact CZ-OD2 3.25Å; R254-D369 IonicContact NE-OD1 3.89Å; R254-D369 IonicContact NE-OD2 3.95Å; R254-D369 PolarHBondContact NE-OD2 3.38Å; R254-D369 IonicContact NH1-OD1 3.66Å; R254-D369 VanDerWaalsContact NH2-CG 3.35Å; R254-D369 IonicContact NH2-OD1 2.7Å; R254-D369 PolarHBondContact NH2-OD1 3.34Å; R254-D369 IonicContact NH2-OD2 2.74Å; R254-D369 PolarHBondContact NH2-OD2 2.86Å; R254-D369 PolarHBondContact O-N 2.91Å; A255-D369 HydrophobicContact CB-CB 4.4Å; F275-D369 WeakPolarHBondContact CD1-OD2 3.06Å
370	W	88.3	Confident	75.9	Confident	59 Å²	59	76.3 Å²	76.3	22%	0.223	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-65.4	135.5	174.1	-74.4	96.4	0	0	0	109.5	R380 Y381 R382 E397 K399	W370-R380 HydrophobicContact CD2-CG 4.39Å; W370-R380 HydrophobicContact CE3-CB 4.2Å; W370-R380 HydrophobicContact CE3-CG 3.68Å; W370-R380 HydrophobicContact CZ3-CG 4.22Å; W370-R380 WeakPolarHBondContact CZ3-O 3.28Å; W370-Y381 CarbonylContact C-O 3.52Å; W370-Y381 WeakPolarHBondContact CA-O 3.26Å; W370-R382 HydrophobicContact CD2-CB 4.21Å; W370-R382 HydrophobicContact CD2-CG 4.05Å; W370-R382 VanDerWaalsContact CE2-CD 3.45Å; W370-R382 HydrophobicContact CE3-CB 4.18Å; W370-R382 HydrophobicContact CE3-CG 4.04Å; W370-R382 HydrophobicContact CH2-CG 3.73Å; W370-R382 VanDerWaalsContact CZ2-CD 3.45Å; W370-R382 HydrophobicContact CZ2-CG 3.74Å; W370-R382 HydrophobicContact CZ3-CB 4.45Å; W370-R382 HydrophobicContact CZ3-CG 3.91Å; W370-E397 HydrophobicContact CH2-CB 3.87Å; W370-K399 HydrophobicContact CH2-CB 4.01Å; W370-K399 HydrophobicContact CH2-CD 3.44Å; W370-K399 VanDerWaalsContact CH2-CD 3.44Å; W370-K399 HydrophobicContact CH2-CG 3.46Å; W370-K399 VanDerWaalsContact CH2-CG 3.46Å; W370-K399 HydrophobicContact CZ2-CD 3.45Å; W370-K399 VanDerWaalsContact CZ2-CD 3.45Å; W370-K399 HydrophobicContact CZ2-CG 4.04Å; W370-K399 HydrophobicContact CZ3-CB 3.95Å; W370-K399 HydrophobicContact CZ3-CD 4.14Å; W370-K399 HydrophobicContact CZ3-CG 3.93Å
371	S	84.2	Confident	77.7	Confident	8 Å²	8	68.7 Å²	68.7	6%	0.056	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-57.3	155.7	167.3	75	0	0	0	0	110.2	V256 R380 Y381	V256-S371 WeakPolarHBondContact O-CB 3.28Å; S371-R380 WeakPolarHBondContact O-CB 3.42Å; S371-R380 WeakPolarHBondContact OG-CA 3.2Å; S371-Y381 PolarHBondContact N-O 3.27Å; S371-Y381 PolarHBondContact OG-N 3.16Å
372	P	83.3	Confident	79.6	Confident	85 Å²	85	63.8 Å²	63.8	55%	0.552	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-52.4	155.7	162.4	-23.7	34.5	0	0	0	110.8	T257 S374	T257-P372 WeakPolarHBondContact OG1-CD 3.28Å; P372-S374 PolarHBondContact O-N 3.01Å
373	C	83.8	Confident	81.4	Confident	28 Å²	28	61.7 Å²	61.7	19%	0.189	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.6	123.8	176.5	-167.9	0	0	0	0	110.3	K375 C401 V402	C373-K375 PolarHBondContact O-N 3.33Å; C373-C401 WeakPolarHBondContact CA-SG 2.96Å; C373-C401 HydrophobicContact CB-CB 3.79Å; C373-C401 WeakPolarHBondContact CB-SG 3.28Å; C373-C401 WeakPolarHBondContact SG-CB 3.38Å; C373-C401 PolarHBondContact SG-O 3.28Å; C373-C401 VanDerWaalsContact SG-O 3.34Å; C373-C401 CovalentContact SG-SG 2.03Å; C373-C401 PolarHBondContact SG-SG 3.11Å; C373-V402 VanDerWaalsContact SG-C 3.57Å
374	S	78.4	Confident	83	Confident	11 Å²	11	57.3 Å²	57.3	8%	0.077	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-63.7	127.6	176.7	173.2	0	0	0	0	110.8	P372 T376 T377 F378 K379	P372-S374 PolarHBondContact O-N 3.01Å; S374-T376 PolarHBondContact O-N 2.8Å; S374-T376 PolarHBondContact OG-N 2.68Å; S374-T376 PolarHBondContact OG-OG1 3.22Å; S374-T377 WeakPolarHBondContact CB-OG1 3.34Å; S374-T377 PolarHBondContact OG-N 3.11Å; S374-T377 VanDerWaalsContact OG-N 3.15Å; S374-T377 PolarHBondContact OG-OG1 3.3Å; S374-F378 VanDerWaalsContact O-CA 3.3Å; S374-F378 WeakPolarHBondContact O-CA 3.39Å; S374-F378 PolarHBondContact O-N 2.85Å; S374-K379 WeakPolarHBondContact CB-O 3.36Å; S374-K379 PolarHBondContact N-O 3.47Å
375	K	75	Confident	84.3	Confident	155 Å²	155	57.7 Å²	57.7	67%	0.674	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.9	175.7	-63.9	-172.9	177.3	-167.3	0	113.2	C373 P403	C373-K375 PolarHBondContact O-N 3.33Å; K375-P403 HydrophobicContact CG-CB 4.11Å; K375-P403 HydrophobicContact CG-CG 4.48Å
376	T	73	Confident	85.1	Confident	111 Å²	111	55 Å²	55	68%	0.681	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-42.1	-177.4	54.7	0	0	0	0	112.1	S374	S374-T376 PolarHBondContact O-N 2.8Å; S374-T376 PolarHBondContact OG-N 2.68Å; S374-T376 PolarHBondContact OG-OG1 3.22Å
377	T	79.2	Confident	84.8	Confident	33 Å²	33	55.4 Å²	55.4	20%	0.202	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-9.3	-175.5	64.4	0	0	0	0	113.6	S374 K379	S374-T377 WeakPolarHBondContact CB-OG1 3.34Å; S374-T377 PolarHBondContact OG-N 3.11Å; S374-T377 VanDerWaalsContact OG-N 3.15Å; S374-T377 PolarHBondContact OG-OG1 3.3Å; T377-K379 WeakPolarHBondContact O-CG 3.02Å; T377-K379 PolarHBondContact O-N 2.65Å
378	F	84.3	Confident	84.4	Confident	120 Å²	120	56.3 Å²	56.3	53%	0.526	29%	0.288	S	S	.	.			trans	54.4	30.9	-175.5	-58.7	-91.1	0	0	0	112.5	S374 E400 C401 P403	S374-F378 VanDerWaalsContact O-CA 3.3Å; S374-F378 WeakPolarHBondContact O-CA 3.39Å; S374-F378 PolarHBondContact O-N 2.85Å; F378-E400 CarbonylContact O-C 3.58Å; F378-E400 WeakPolarHBondContact O-CA 3.28Å; F378-C401 PolarHBondContact O-N 2.9Å; F378-P403 VanDerWaalsContact CD1-CD 3.47Å; F378-P403 HydrophobicContact CD1-CG 3.87Å; F378-P403 HydrophobicContact CE1-CG 3.93Å
379	K	86.8	Confident	84	Confident	84 Å²	84	60.8 Å²	60.8	37%	0.365	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.8	-178.2	-71.7	169.8	-175.8	-178	0	110.4	S374 T377 Y381 T398 K399	S374-K379 WeakPolarHBondContact CB-O 3.36Å; S374-K379 PolarHBondContact N-O 3.47Å; T377-K379 WeakPolarHBondContact O-CG 3.02Å; T377-K379 PolarHBondContact O-N 2.65Å; K379-Y381 HydrophobicContact CB-CE2 3.99Å; K379-T398 HydrophobicContact CB-CG2 4.08Å; K379-T398 HydrophobicContact CD-CG2 3.9Å; K379-T398 HydrophobicContact CG-CG2 4.1Å; K379-K399 CarbonylContact C-O 3.52Å; K379-K399 VanDerWaalsContact CA-O 3.31Å; K379-K399 WeakPolarHBondContact CA-O 3.23Å
380	R	87.5	Confident	83.6	Confident	90 Å²	90	59.1 Å²	59.1	34%	0.34	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.4	169.2	59.6	176.8	-173.3	169	-2.1	109.9	W370 S371 T398 K399 C401	W370-R380 HydrophobicContact CD2-CG 4.39Å; W370-R380 HydrophobicContact CE3-CB 4.2Å; W370-R380 HydrophobicContact CE3-CG 3.68Å; W370-R380 HydrophobicContact CZ3-CG 4.22Å; W370-R380 WeakPolarHBondContact CZ3-O 3.28Å; S371-R380 WeakPolarHBondContact O-CB 3.42Å; S371-R380 WeakPolarHBondContact OG-CA 3.2Å; R380-T398 WeakPolarHBondContact O-CA 3.45Å; R380-K399 HydrophobicContact CG-CB 4.21Å; R380-K399 PolarHBondContact N-O 3.2Å; R380-K399 PolarHBondContact O-N 3.32Å; R380-C401 HydrophobicContact CG-CB 4.1Å; R380-C401 PolarHBondContact N-SG 3.24Å
381	Y	88.5	Confident	83.4	Confident	11 Å²	11	57 Å²	57	4%	0.043	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.8	-168.2	-50.2	-101.2	0	0	0	111.1	D302 W370 S371 K379 E397 T398	D302-Y381 VanDerWaalsContact OD1-CZ 3.29Å; D302-Y381 PolarHBondContact OD1-OH 3.26Å; W370-Y381 CarbonylContact C-O 3.52Å; W370-Y381 WeakPolarHBondContact CA-O 3.26Å; S371-Y381 PolarHBondContact N-O 3.27Å; S371-Y381 PolarHBondContact OG-N 3.16Å; K379-Y381 HydrophobicContact CB-CE2 3.99Å; Y381-E397 VanDerWaalsContact CA-O 3.31Å; Y381-E397 WeakPolarHBondContact CA-O 3.47Å; Y381-T398 HydrophobicContact CD1-CG2 3.85Å; Y381-T398 WeakPolarHBondContact CD1-OG1 3.41Å; Y381-T398 HydrophobicContact CE1-CG2 3.62Å
382	R	90.2	Very high	83.4	Confident	56 Å²	56	58.1 Å²	58.1	21%	0.211	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.7	166	61.7	174.7	-175.8	166.7	7.1	109.9	W367 T368 W370 R396 E397	W367-R382 HydrophobicContact CD2-CG 4.44Å; W367-R382 HydrophobicContact CE3-CB 4.4Å; W367-R382 HydrophobicContact CE3-CG 3.73Å; W367-R382 HydrophobicContact CZ3-CG 4.33Å; T368-R382 WeakPolarHBondContact OG1-CA 3.37Å; W370-R382 HydrophobicContact CD2-CB 4.21Å; W370-R382 HydrophobicContact CD2-CG 4.05Å; W370-R382 VanDerWaalsContact CE2-CD 3.45Å; W370-R382 HydrophobicContact CE3-CB 4.18Å; W370-R382 HydrophobicContact CE3-CG 4.04Å; W370-R382 HydrophobicContact CH2-CG 3.73Å; W370-R382 VanDerWaalsContact CZ2-CD 3.45Å; W370-R382 HydrophobicContact CZ2-CG 3.74Å; W370-R382 HydrophobicContact CZ3-CB 4.45Å; W370-R382 HydrophobicContact CZ3-CG 3.91Å; R382-R396 WeakPolarHBondContact O-CA 3.15Å; R382-E397 HydrophobicContact CG-CB 4Å; R382-E397 IonicContact CZ-OE1 3.25Å; R382-E397 IonicContact CZ-OE2 3.63Å; R382-E397 PolarHBondContact N-O 3.01Å; R382-E397 VanDerWaalsContact N-O 3.1Å; R382-E397 IonicContact NE-OE1 3.78Å; R382-E397 IonicContact NE-OE2 3.1Å; R382-E397 PolarHBondContact NE-OE2 2.79Å; R382-E397 IonicContact NH2-OE1 2.77Å; R382-E397 PolarHBondContact NH2-OE1 3.19Å; R382-E397 IonicContact NH2-OE2 3.17Å; R382-E397 PolarHBondContact NH2-OE2 3.27Å; R382-E397 PolarHBondContact O-N 3.24Å
383	Y	89.9	Confident	83.4	Confident	3 Å²	3	60.4 Å²	60.4	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.5	-176.9	-63	-92.8	0	0	0	110.7	V256 Q305 W367 T368 I391 R392 E395 R396	V256-Y383 HydrophobicContact CB-CD2 3.92Å; V256-Y383 HydrophobicContact CB-CE2 3.72Å; V256-Y383 HydrophobicContact CG1-CD2 4.37Å; V256-Y383 HydrophobicContact CG1-CE2 3.74Å; V256-Y383 HydrophobicContact CG2-CD2 3.76Å; V256-Y383 HydrophobicContact CG2-CE2 3.98Å; Q305-Y383 PolarHBondContact NE2-OH 3.21Å; Q305-Y383 PolarHBondContact OE1-OH 2.99Å; W367-Y383 CarbonylContact C-O 3.53Å; W367-Y383 WeakPolarHBondContact CA-O 3.36Å; T368-Y383 PolarHBondContact N-O 2.02Å; T368-Y383 PolarHBondContact OG1-N 3.09Å; Y383-I391 WeakPolarHBondContact CD1-O 3.22Å; Y383-R392 HydrophobicContact CE1-CB 4.27Å; Y383-E395 WeakPolarHBondContact CA-O 3.36Å; Y383-R396 HydrophobicContact CD1-CB 3.7Å; Y383-R396 HydrophobicContact CE1-CB 3.77Å; Y383-R396 HydrophobicContact CG-CB 4.46Å
384	K	89.8	Confident	83.6	Confident	86 Å²	86	59.7 Å²	59.7	37%	0.374	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-75.3	130.7	170.4	-165.8	175.3	-178.1	174.1	0	108.3	W367 C386 C394 E395	W367-K384 HydrophobicContact CD2-CB 4.27Å; W367-K384 HydrophobicContact CE3-CB 4.04Å; W367-K384 VanDerWaalsContact CE3-N 3.27Å; W367-K384 HydrophobicContact CH2-CB 3.9Å; W367-K384 HydrophobicContact CZ2-CB 4.15Å; W367-K384 HydrophobicContact CZ2-CD 4.25Å; W367-K384 HydrophobicContact CZ2-CG 4.34Å; W367-K384 HydrophobicContact CZ3-CB 3.85Å; K384-C386 PolarHBondContact O-N 2.77Å; K384-C394 WeakPolarHBondContact O-CB 3.46Å; K384-E395 HydrophobicContact CB-CB 4.01Å; K384-E395 HydrophobicContact CD-CB 4.17Å; K384-E395 WeakPolarHBondContact CD-OE2 3.27Å; K384-E395 PolarHBondContact N-O 2.88Å; K384-E395 IonicContact NZ-OE2 2.85Å; K384-E395 PolarHBondContact NZ-OE2 3.08Å
385	Q	86.9	Confident	84	Confident	38 Å²	38	64.5 Å²	64.5	18%	0.178	31%	0.308	C	S	.	.			trans	-62	132.6	175.1	-66.1	-176	-13.1	0	0	109.4	L364 G366	L364-Q385 HydrophobicContact CB-CB 4.04Å; L364-Q385 HydrophobicContact CD2-CB 4.07Å; G366-Q385 PolarHBondContact O-N 3.45Å
386	C	83.8	Confident	84.7	Confident	34 Å²	34	62.7 Å²	62.7	23%	0.23	30%	0.297	C	S	.	.			trans	-154	172.5	-174.6	92.9	0	0	0	0	113.5	F359 K384 L388 C394	F359-C386 WeakPolarHBondContact CE1-O 3.28Å; F359-C386 WeakPolarHBondContact CZ-O 3.06Å; K384-C386 PolarHBondContact O-N 2.77Å; C386-L388 PolarHBondContact O-N 2.94Å; C386-L388 VanDerWaalsContact O-N 3.15Å; C386-L388 VanDerWaalsContact SG-CG 3.56Å; C386-C394 HydrophobicContact CB-CB 3.81Å; C386-C394 WeakPolarHBondContact CB-SG 3.45Å; C386-C394 WeakPolarHBondContact SG-CB 3.3Å; C386-C394 CovalentContact SG-SG 2.02Å; C386-C394 PolarHBondContact SG-SG 3.05Å
387	G	79.2	Confident	85.6	Confident	42 Å²	42	60.4 Å²	60.4	43%	0.433	28%	0.278	S	S	.	.	S	Bend	trans	-52.8	-20.3	179.3	0	0	0	0	0	118.6	F359	F359-G387 VanDerWaalsContact CD1-CA 3.42Å; F359-G387 VanDerWaalsContact CE1-N 3.34Å
388	L	82.4	Confident	86.1	Confident	82 Å²	82	61.9 Å²	61.9	43%	0.429	29%	0.288	S	S	.	.	S	Bend	trans	-82	142.2	-163.9	-60.5	175.9	0	0	0	110.8	V250 C386 D390 R393	V250-L388 VanDerWaalsContact CG1-O 3.26Å; V250-L388 WeakPolarHBondContact CG1-O 3.26Å; C386-L388 PolarHBondContact O-N 2.94Å; C386-L388 VanDerWaalsContact O-N 3.15Å; C386-L388 VanDerWaalsContact SG-CG 3.56Å; L388-D390 PolarHBondContact O-N 3.47Å; L388-R393 HydrophobicContact CD1-CB 3.72Å; L388-R393 WeakPolarHBondContact CD1-O 3.01Å
389	K	80.2	Confident	86.4	Confident	98 Å²	98	60.5 Å²	60.5	43%	0.426	28%	0.282	S	S	.	.	S	Bend	trans	-51.3	-43.2	175.4	-73.1	-171.3	176.5	-174.4	0	112	I248 V250 T322	I248-K389 WeakPolarHBondContact CG2-O 3.5Å; V250-K389 HydrophobicContact CG2-CB 4.46Å; V250-K389 HydrophobicContact CG2-CG 4.31Å; T322-K389 HydrophobicContact CG2-CD 4.26Å; T322-K389 HydrophobicContact CG2-CG 4.43Å
390	D	81.6	Confident	86.6	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.037	30%	0.301	C	S	.	.	S	Bend	trans	-104.7	110.7	176.8	-175.6	-5.3	0	0	0	110.1	L388 R392 R393	L388-D390 PolarHBondContact O-N 3.47Å; D390-R392 VanDerWaalsContact CG-NE 3.34Å; D390-R392 PolarHBondContact O-N 3.11Å; D390-R392 VanDerWaalsContact O-N 3.1Å; D390-R392 VanDerWaalsContact OD1-CB 3.24Å; D390-R392 WeakPolarHBondContact OD1-CB 3.46Å; D390-R392 VanDerWaalsContact OD1-CG 3.28Å; D390-R392 WeakPolarHBondContact OD1-CG 3.22Å; D390-R392 IonicContact OD1-CZ 2.93Å; D390-R392 PolarHBondContact OD1-N 2.94Å; D390-R392 IonicContact OD1-NE 3.86Å; D390-R392 PolarHBondContact OD1-NE 3.42Å; D390-R392 IonicContact OD1-NH2 2.77Å; D390-R392 IonicContact OD2-CZ 2.74Å; D390-R392 VanDerWaalsContact OD2-CZ 3.3Å; D390-R392 IonicContact OD2-NE 2.77Å; D390-R392 PolarHBondContact OD2-NE 3.26Å; D390-R392 VanDerWaalsContact OD2-NE 3.08Å; D390-R392 IonicContact OD2-NH2 3.75Å; D390-R392 PolarHBondContact OD2-NH2 3.43Å; D390-R393 HydrophobicContact CB-CG 4.23Å; D390-R393 WeakPolarHBondContact O-CB 3.38Å; D390-R393 PolarHBondContact O-N 2.87Å
391	I	83.9	Confident	86.7	Confident	14 Å²	14	61.5 Å²	61.5	7%	0.072	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.7	179.6	-167.4	168.4	0	0	0	112.6	A253 V256 I308 T368 Y383 R393 C394	A253-I391 HydrophobicContact CB-CB 4.33Å; A253-I391 HydrophobicContact CB-CD1 3.58Å; A253-I391 HydrophobicContact CB-CG2 3.93Å; V256-I391 HydrophobicContact CG2-CG2 3.9Å; I308-I391 HydrophobicContact CD1-CG2 3.91Å; T368-I391 HydrophobicContact CG2-CD1 3.55Å; Y383-I391 WeakPolarHBondContact CD1-O 3.22Å; I391-R393 PolarHBondContact O-N 3.33Å; I391-R393 VanDerWaalsContact O-N 3.13Å; I391-C394 HydrophobicContact CG1-CB 4.39Å; I391-C394 WeakPolarHBondContact O-CB 3.44Å; I391-C394 PolarHBondContact O-N 3.44Å; I391-C394 PolarHBondContact O-SG 2.86Å
392	R	83.6	Confident	86.7	Confident	32 Å²	32	66.8 Å²	66.8	12%	0.121	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-68.5	-13.7	179.9	-54.6	169.4	-58	171.4	2	112.2	V256 Q305 I308 Y383 D390	V256-R392 HydrophobicContact CG1-CG 4.37Å; Q305-R392 WeakPolarHBondContact O-CD 3.05Å; I308-R392 HydrophobicContact CD1-CG 4.5Å; Y383-R392 HydrophobicContact CE1-CB 4.27Å; D390-R392 VanDerWaalsContact CG-NE 3.34Å; D390-R392 PolarHBondContact O-N 3.11Å; D390-R392 VanDerWaalsContact O-N 3.1Å; D390-R392 VanDerWaalsContact OD1-CB 3.24Å; D390-R392 WeakPolarHBondContact OD1-CB 3.46Å; D390-R392 VanDerWaalsContact OD1-CG 3.28Å; D390-R392 WeakPolarHBondContact OD1-CG 3.22Å; D390-R392 IonicContact OD1-CZ 2.93Å; D390-R392 PolarHBondContact OD1-N 2.94Å; D390-R392 IonicContact OD1-NE 3.86Å; D390-R392 PolarHBondContact OD1-NE 3.42Å; D390-R392 IonicContact OD1-NH2 2.77Å; D390-R392 IonicContact OD2-CZ 2.74Å; D390-R392 VanDerWaalsContact OD2-CZ 3.3Å; D390-R392 IonicContact OD2-NE 2.77Å; D390-R392 PolarHBondContact OD2-NE 3.26Å; D390-R392 VanDerWaalsContact OD2-NE 3.08Å; D390-R392 IonicContact OD2-NH2 3.75Å; D390-R392 PolarHBondContact OD2-NH2 3.43Å
393	R	83.8	Confident	86.2	Confident	133 Å²	133	65.2 Å²	65.2	50%	0.502	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-90.6	-6.9	172.2	-61.3	-176.7	173.4	172.8	-0.7	113.2	H327 L388 D390 I391	H327-R393 PolarHBondContact CE1-NH2 3.12Å; H327-R393 VanDerWaalsContact CE1-NH2 3.26Å; L388-R393 HydrophobicContact CD1-CB 3.72Å; L388-R393 WeakPolarHBondContact CD1-O 3.01Å; D390-R393 HydrophobicContact CB-CG 4.23Å; D390-R393 WeakPolarHBondContact O-CB 3.38Å; D390-R393 PolarHBondContact O-N 2.87Å; I391-R393 PolarHBondContact O-N 3.33Å; I391-R393 VanDerWaalsContact O-N 3.13Å
394	C	87	Confident	85.4	Confident	13 Å²	13	72.4 Å²	72.4	9%	0.088	36%	0.363	C	S	.	.	S	Bend	trans	-73.6	170.6	173.4	-57.8	0	0	0	0	111.3	K384 C386 I391 R396	K384-C394 WeakPolarHBondContact O-CB 3.46Å; C386-C394 HydrophobicContact CB-CB 3.81Å; C386-C394 WeakPolarHBondContact CB-SG 3.45Å; C386-C394 WeakPolarHBondContact SG-CB 3.3Å; C386-C394 CovalentContact SG-SG 2.02Å; C386-C394 PolarHBondContact SG-SG 3.05Å; I391-C394 HydrophobicContact CG1-CB 4.39Å; I391-C394 WeakPolarHBondContact O-CB 3.44Å; I391-C394 PolarHBondContact O-N 3.44Å; I391-C394 PolarHBondContact O-SG 2.86Å; C394-R396 PolarHBondContact O-N 3.38Å
395	E	88.7	Confident	83.6	Confident	113 Å²	113	80.1 Å²	80.1	53%	0.528	40%	0.403	S	S	.	.			trans	-54.3	134	171.3	-171.5	-174.7	157	0	0	110.7	W367 Y383 K384	W367-E395 HydrophobicContact CH2-CG 4.29Å; Y383-E395 WeakPolarHBondContact CA-O 3.36Å; K384-E395 HydrophobicContact CB-CB 4.01Å; K384-E395 HydrophobicContact CD-CB 4.17Å; K384-E395 WeakPolarHBondContact CD-OE2 3.27Å; K384-E395 PolarHBondContact N-O 2.88Å; K384-E395 IonicContact NZ-OE2 2.85Å; K384-E395 PolarHBondContact NZ-OE2 3.08Å
396	R	89	Confident	83.4	Confident	117 Å²	117	82.3 Å²	82.3	44%	0.442	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.6	-178.5	74.9	178.4	-177.9	163.7	3.4	112.1	D302 R382 Y383 C394	D302-R396 IonicContact OD2-CZ 3.41Å; D302-R396 IonicContact OD2-NH1 2.66Å; D302-R396 PolarHBondContact OD2-NH1 3.39Å; D302-R396 IonicContact OD2-NH2 3.33Å; D302-R396 PolarHBondContact OD2-NH2 2.84Å; R382-R396 WeakPolarHBondContact O-CA 3.15Å; Y383-R396 HydrophobicContact CD1-CB 3.7Å; Y383-R396 HydrophobicContact CE1-CB 3.77Å; Y383-R396 HydrophobicContact CG-CB 4.46Å; C394-R396 PolarHBondContact O-N 3.38Å
397	E	91.3	Very high	83.4	Confident	62 Å²	62	84.8 Å²	84.8	29%	0.29	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	146.4	165.1	-76.5	-178.9	-165	0	0	110.4	W367 W370 Y381 R382	W367-E397 HydrophobicContact CH2-CB 4.49Å; W367-E397 HydrophobicContact CH2-CG 3.66Å; W367-E397 HydrophobicContact CZ2-CG 4.26Å; W367-E397 HydrophobicContact CZ3-CB 4.2Å; W367-E397 HydrophobicContact CZ3-CG 3.85Å; W370-E397 HydrophobicContact CH2-CB 3.87Å; Y381-E397 VanDerWaalsContact CA-O 3.31Å; Y381-E397 WeakPolarHBondContact CA-O 3.47Å; R382-E397 HydrophobicContact CG-CB 4Å; R382-E397 IonicContact CZ-OE1 3.25Å; R382-E397 IonicContact CZ-OE2 3.63Å; R382-E397 PolarHBondContact N-O 3.01Å; R382-E397 VanDerWaalsContact N-O 3.1Å; R382-E397 IonicContact NE-OE1 3.78Å; R382-E397 IonicContact NE-OE2 3.1Å; R382-E397 PolarHBondContact NE-OE2 2.79Å; R382-E397 IonicContact NH2-OE1 2.77Å; R382-E397 PolarHBondContact NH2-OE1 3.19Å; R382-E397 IonicContact NH2-OE2 3.17Å; R382-E397 PolarHBondContact NH2-OE2 3.27Å; R382-E397 PolarHBondContact O-N 3.24Å
398	T	89.8	Confident	83.6	Confident	65 Å²	65	87.2 Å²	87.2	40%	0.399	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.2	177.4	-54.5	0	0	0	0	109.4	K379 R380 Y381	K379-T398 HydrophobicContact CB-CG2 4.08Å; K379-T398 HydrophobicContact CD-CG2 3.9Å; K379-T398 HydrophobicContact CG-CG2 4.1Å; R380-T398 WeakPolarHBondContact O-CA 3.45Å; Y381-T398 HydrophobicContact CD1-CG2 3.85Å; Y381-T398 WeakPolarHBondContact CD1-OG1 3.41Å; Y381-T398 HydrophobicContact CE1-CG2 3.62Å
399	K	91	Very high	83.7	Confident	91 Å²	91	87.5 Å²	87.5	40%	0.396	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144	173	-75.6	-178.1	-174.9	179.5	0	110.6	W370 K379 R380	W370-K399 HydrophobicContact CH2-CB 4.01Å; W370-K399 HydrophobicContact CH2-CD 3.44Å; W370-K399 VanDerWaalsContact CH2-CD 3.44Å; W370-K399 HydrophobicContact CH2-CG 3.46Å; W370-K399 VanDerWaalsContact CH2-CG 3.46Å; W370-K399 HydrophobicContact CZ2-CD 3.45Å; W370-K399 VanDerWaalsContact CZ2-CD 3.45Å; W370-K399 HydrophobicContact CZ2-CG 4.04Å; W370-K399 HydrophobicContact CZ3-CB 3.95Å; W370-K399 HydrophobicContact CZ3-CD 4.14Å; W370-K399 HydrophobicContact CZ3-CG 3.93Å; K379-K399 CarbonylContact C-O 3.52Å; K379-K399 VanDerWaalsContact CA-O 3.31Å; K379-K399 WeakPolarHBondContact CA-O 3.23Å; R380-K399 HydrophobicContact CG-CB 4.21Å; R380-K399 PolarHBondContact N-O 3.2Å; R380-K399 PolarHBondContact O-N 3.32Å
400	E	91.7	Very high	83.9	Confident	167 Å²	167	86.8 Å²	86.8	78%	0.78	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	148.6	167.2	-63.6	-176.4	172.6	0	0	110.4	F378	F378-E400 CarbonylContact O-C 3.58Å; F378-E400 WeakPolarHBondContact O-CA 3.28Å
401	C	88.7	Confident	84.1	Confident	28 Å²	28	92.1 Å²	92.1	19%	0.189	45%	0.449	C	S	.	.			trans	-156.3	165.3	-177.9	55.8	0	0	0	0	111.1	C373 F378 R380	C373-C401 WeakPolarHBondContact CA-SG 2.96Å; C373-C401 HydrophobicContact CB-CB 3.79Å; C373-C401 WeakPolarHBondContact CB-SG 3.28Å; C373-C401 WeakPolarHBondContact SG-CB 3.38Å; C373-C401 PolarHBondContact SG-O 3.28Å; C373-C401 VanDerWaalsContact SG-O 3.34Å; C373-C401 CovalentContact SG-SG 2.03Å; C373-C401 PolarHBondContact SG-SG 3.11Å; F378-C401 PolarHBondContact O-N 2.9Å; R380-C401 HydrophobicContact CG-CB 4.1Å; R380-C401 PolarHBondContact N-SG 3.24Å
402	V	88	Confident	84.1	Confident	121 Å²	121	97.7 Å²	97.7	73%	0.733	48%	0.476	S	S	*	.			trans	-105.7	126.9	171.6	-176.1	0	0	0	0	107.7	C373	C373-V402 VanDerWaalsContact SG-C 3.57Å
403	P	79.8	Confident	84.2	Confident	24 Å²	24	102.8 Å²	102.8	16%	0.156	50%	0.504	C	S	.	.			trans	-61	137.1	175.4	-21.6	30.6	0	0	0	111.5	K375 F378 M405	K375-P403 HydrophobicContact CG-CB 4.11Å; K375-P403 HydrophobicContact CG-CG 4.48Å; F378-P403 VanDerWaalsContact CD1-CD 3.47Å; F378-P403 HydrophobicContact CD1-CG 3.87Å; F378-P403 HydrophobicContact CE1-CG 3.93Å; P403-M405 PolarHBondContact O-N 3.37Å
404	D	73.5	Confident	84.2	Confident	153 Å²	153	100.3 Å²	100.3	82%	0.818	50%	0.504	S	S	*	.			trans	-63.3	126.5	167.6	-68.2	-35.4	0	0	0	108.5
405	M	51.9	Low	83.9	Confident	249 Å²	249	108.2 Å²	108.2	100%	1.227	54%	0.542	S	S	*	.			trans	-70.2	0	-177.7	-67.2	-165.3	-159.4	0	0	112.3	P403	P403-M405 PolarHBondContact O-N 3.37Å

Retrieved 405 of 405 residues in 331.6 ms (Link to these results)

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