A0A077YZZ2_TRITR Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A077YZZ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 530 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	25.6	Very low	34.4	Very low	245 Å²	245	122.2 Å²	122.2	100%	1.207	68%	0.676	S	S	*	*				0	102.3	0	-73	175.8	-163.3	0	0	106.7
2	C	23.9	Very low	37.2	Very low	105 Å²	105	124.9 Å²	124.9	71%	0.709	68%	0.68	S	S	*	*			trans	-94.9	102.2	-165.4	-71.1	0	0	0	0	110.6	T4	C2-T4 VanDerWaalsContact C-N 3.27Å; C2-T4 HydrophobicContact CB-CG2 3.69Å; C2-T4 VanDerWaalsContact CB-OG1 3.3Å; C2-T4 WeakPolarHBondContact CB-OG1 3.15Å; C2-T4 PolarHBondContact O-N 3.06Å; C2-T4 PolarHBondContact O-OG1 3.1Å; C2-T4 VanDerWaalsContact O-OG1 3.1Å
3	A	25.4	Very low	39.7	Very low	99 Å²	99	116.5 Å²	116.5	82%	0.818	64%	0.635	S	S	*	*			trans	-71.6	88.9	159	0	0	0	0	0	107.5
4	T	27.5	Very low	41.9	Very low	93 Å²	93	110.7 Å²	110.7	57%	0.571	60%	0.601	S	S	*	*			trans	-128	16.1	-167.3	36.4	0	0	0	0	114.8	C2	C2-T4 VanDerWaalsContact C-N 3.27Å; C2-T4 HydrophobicContact CB-CG2 3.69Å; C2-T4 VanDerWaalsContact CB-OG1 3.3Å; C2-T4 WeakPolarHBondContact CB-OG1 3.15Å; C2-T4 PolarHBondContact O-N 3.06Å; C2-T4 PolarHBondContact O-OG1 3.1Å; C2-T4 VanDerWaalsContact O-OG1 3.1Å
5	A	27.4	Very low	43.6	Very low	85 Å²	85	109.9 Å²	109.9	70%	0.702	62%	0.616	S	S	*	*	S	Bend	trans	-108.3	-29.3	-175.3	0	0	0	0	0	115.6
6	D	30.8	Very low	44.8	Very low	151 Å²	151	104.2 Å²	104.2	81%	0.807	59%	0.589	S	S	*	*	S	Bend	trans	-106.7	-6.8	-170.1	-89.4	-30.8	0	0	0	116.1
7	L	32.7	Very low	46.1	Very low	144 Å²	144	104.5 Å²	104.5	75%	0.754	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-10.1	-179.4	-87.5	153.5	0	0	0	114.5
8	F	39	Very low	47.1	Very low	91 Å²	91	104.9 Å²	104.9	40%	0.399	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	10.5	-168	-67.1	-74.6	0	0	0	115.6	Y27	F8-Y27 WeakPolarHBondContact CD1-O 3.18Å; F8-Y27 WeakPolarHBondContact CE1-O 3.46Å
9	R	39.8	Very low	48.2	Very low	195 Å²	195	100.1 Å²	100.1	74%	0.736	56%	0.556	S	S	*	*	S	Bend	trans	-90.9	-18	175.2	-80.1	-172.8	-179	-170.4	1.9	114.8
10	N	47.8	Very low	49.2	Very low	123 Å²	123	101.2 Å²	101.2	66%	0.658	57%	0.567	S	S	*	*	S	Bend	trans	-119.7	107.7	179.3	-75.4	-8.8	0	0	0	110.2	Q12	N10-Q12 PolarHBondContact O-N 2.68Å
11	D	58.4	Low	50.3	Low	13 Å²	13	103.7 Å²	103.7	7%	0.07	58%	0.58	C	S	.	*			trans	-77	117.4	177	-158.5	-36.1	0	0	0	110.6	C13 F14 A15 G16 N17 I19 Y27 K72	D11-C13 PolarHBondContact O-N 3.47Å; D11-C13 WeakPolarHBondContact OD1-CB 3.38Å; D11-C13 PolarHBondContact OD1-N 3.33Å; D11-F14 CarbonylContact O-C 3.5Å; D11-F14 PolarHBondContact O-N 2.84Å; D11-F14 VanDerWaalsContact O-N 3.08Å; D11-A15 PolarHBondContact O-N 3.48Å; D11-G16 PolarHBondContact O-N 3.31Å; D11-N17 WeakPolarHBondContact CB-O 3.31Å; D11-I19 WeakPolarHBondContact OD2-CD1 3.36Å; D11-Y27 WeakPolarHBondContact OD2-CE1 3.28Å; D11-Y27 PolarHBondContact OD2-OH 3.42Å; D11-K72 IonicContact OD1-NZ 3.91Å; D11-K72 PolarHBondContact OD1-NZ 3.12Å; D11-K72 IonicContact OD2-NZ 3.55Å; D11-K72 PolarHBondContact OD2-NZ 3.45Å
12	Q	68.4	Low	52.5	Low	155 Å²	155	94 Å²	94	72%	0.724	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-60.1	-27.2	177.6	-67	-167.8	10.9	0	0	112.1	N10 C61	N10-Q12 PolarHBondContact O-N 2.68Å; Q12-C61 HydrophobicContact CB-CB 4.32Å; Q12-C61 WeakPolarHBondContact CB-O 3.41Å; Q12-C61 PolarHBondContact OE1-O 3.45Å
13	C	69.3	Low	54.9	Low	15 Å²	15	96.3 Å²	96.3	10%	0.101	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-68.9	-31.7	176.2	-70.8	0	0	0	0	113.2	D11 I39 C61 L74	D11-C13 PolarHBondContact O-N 3.47Å; D11-C13 WeakPolarHBondContact OD1-CB 3.38Å; D11-C13 PolarHBondContact OD1-N 3.33Å; C13-I39 HydrophobicContact CB-CD1 4.36Å; C13-C61 WeakPolarHBondContact CA-SG 3.39Å; C13-C61 HydrophobicContact CB-CB 3.87Å; C13-C61 WeakPolarHBondContact CB-SG 3.21Å; C13-C61 WeakPolarHBondContact SG-CB 3.5Å; C13-C61 CovalentContact SG-SG 2.03Å; C13-C61 PolarHBondContact SG-SG 2.91Å; C13-L74 HydrophobicContact CB-CB 4.13Å; C13-L74 HydrophobicContact CB-CD2 4.35Å; C13-L74 VanDerWaalsContact O-CD2 3.27Å; C13-L74 WeakPolarHBondContact O-CD2 3.48Å
14	F	70.9	Confident	57.1	Low	36 Å²	36	96.5 Å²	96.5	16%	0.158	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-119.1	34.4	-172.5	-76.8	-93.5	0	0	0	112.7	D11 G16 N17 I19 I39 D41 L74	D11-F14 CarbonylContact O-C 3.5Å; D11-F14 PolarHBondContact O-N 2.84Å; D11-F14 VanDerWaalsContact O-N 3.08Å; F14-G16 PolarHBondContact O-N 3.15Å; F14-G16 VanDerWaalsContact O-N 3.08Å; F14-N17 HydrophobicContact CB-CB 4.1Å; F14-N17 WeakPolarHBondContact CB-O 3.05Å; F14-N17 WeakPolarHBondContact O-CB 3.49Å; F14-N17 PolarHBondContact O-N 3.12Å; F14-N17 PolarHBondContact O-ND2 3.28Å; F14-I19 HydrophobicContact CD2-CD1 3.67Å; F14-I19 HydrophobicContact CD2-CG1 3.33Å; F14-I19 HydrophobicContact CE2-CD1 3.6Å; F14-I19 HydrophobicContact CE2-CG1 3.42Å; F14-I19 VanDerWaalsContact CE2-CG1 3.42Å; F14-I19 HydrophobicContact CG-CG1 4.14Å; F14-I19 HydrophobicContact CZ-CG1 4.25Å; F14-I39 HydrophobicContact CE2-CG2 3.77Å; F14-I39 HydrophobicContact CZ-CG2 4.03Å; F14-D41 HydrophobicContact CE1-CB 4.38Å; F14-D41 HydrophobicContact CZ-CB 4.1Å; F14-L74 HydrophobicContact CE2-CD1 3.77Å; F14-L74 HydrophobicContact CE2-CD2 4.33Å; F14-L74 HydrophobicContact CZ-CD1 3.69Å; F14-L74 HydrophobicContact CZ-CD2 4.4Å
15	A	67.6	Low	59.4	Low	99 Å²	99	96.8 Å²	96.8	82%	0.818	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	36.5	179.9	0	0	0	0	0	113	D11	D11-A15 PolarHBondContact O-N 3.48Å
16	G	62.3	Low	61.8	Low	18 Å²	18	95.2 Å²	95.2	19%	0.186	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-8.4	-177.9	0	0	0	0	0	115.8	D11 F14	D11-G16 PolarHBondContact O-N 3.31Å; F14-G16 PolarHBondContact O-N 3.15Å; F14-G16 VanDerWaalsContact O-N 3.08Å
17	N	66.6	Low	63.5	Low	109 Å²	109	89.1 Å²	89.1	58%	0.583	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-79.8	149.9	179.2	-60.5	-65.3	0	0	0	112.5	D11 F14	D11-N17 WeakPolarHBondContact CB-O 3.31Å; F14-N17 HydrophobicContact CB-CB 4.1Å; F14-N17 WeakPolarHBondContact CB-O 3.05Å; F14-N17 WeakPolarHBondContact O-CB 3.49Å; F14-N17 PolarHBondContact O-N 3.12Å; F14-N17 PolarHBondContact O-ND2 3.28Å
18	K	65	Low	65.1	Low	113 Å²	113	85.7 Å²	85.7	49%	0.491	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-71.1	143.8	170.7	-71.9	-167.6	171.2	-162.6	0	110.8	P20 E24	K18-P20 WeakPolarHBondContact O-CD 3.49Å; K18-E24 IonicContact NZ-OE1 3.53Å; K18-E24 PolarHBondContact NZ-OE1 2.66Å; K18-E24 IonicContact NZ-OE2 3.6Å; K18-E24 PolarHBondContact NZ-OE2 3.38Å
19	I	68.4	Low	66.8	Low	13 Å²	13	91.4 Å²	91.4	7%	0.067	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-83.8	118.5	172.2	-57.2	163.6	0	0	0	106.8	D11 F14 D21 L22 Y27 I39	D11-I19 WeakPolarHBondContact OD2-CD1 3.36Å; F14-I19 HydrophobicContact CD2-CD1 3.67Å; F14-I19 HydrophobicContact CD2-CG1 3.33Å; F14-I19 HydrophobicContact CE2-CD1 3.6Å; F14-I19 HydrophobicContact CE2-CG1 3.42Å; F14-I19 VanDerWaalsContact CE2-CG1 3.42Å; F14-I19 HydrophobicContact CG-CG1 4.14Å; F14-I19 HydrophobicContact CZ-CG1 4.25Å; I19-D21 PolarHBondContact O-N 2.83Å; I19-D21 VanDerWaalsContact O-N 3.1Å; I19-L22 HydrophobicContact CB-CB 4.31Å; I19-L22 HydrophobicContact CB-CD1 3.9Å; I19-L22 HydrophobicContact CD1-CD1 3.44Å; I19-L22 VanDerWaalsContact CD1-CD1 3.44Å; I19-L22 HydrophobicContact CG1-CD1 4.25Å; I19-L22 HydrophobicContact CG2-CD1 4.03Å; I19-L22 PolarHBondContact O-N 3.35Å; I19-Y27 WeakPolarHBondContact CA-OH 3.03Å; I19-Y27 WeakPolarHBondContact CB-OH 3.37Å; I19-Y27 WeakPolarHBondContact CD1-OH 3.35Å; I19-Y27 WeakPolarHBondContact CG1-OH 3.08Å; I19-Y27 PolarHBondContact N-OH 3.39Å; I19-I39 HydrophobicContact CD1-CB 4.43Å; I19-I39 HydrophobicContact CD1-CD1 3.19Å; I19-I39 HydrophobicContact CD1-CG1 3.74Å; I19-I39 HydrophobicContact CD1-CG2 4.08Å; I19-I39 HydrophobicContact CG2-CG2 4.28Å
20	P	68.1	Low	68.6	Low	121 Å²	121	83.8 Å²	83.8	79%	0.786	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.2	-171.6	-27.7	35.1	0	0	0	114.6	K18	K18-P20 WeakPolarHBondContact O-CD 3.49Å
21	D	72.1	Confident	70.2	Confident	155 Å²	155	80.8 Å²	80.8	83%	0.829	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.5	-170.5	-61.3	-30.3	0	0	0	114.3	I19	I19-D21 PolarHBondContact O-N 2.83Å; I19-D21 VanDerWaalsContact O-N 3.1Å
22	L	70.7	Confident	71.5	Confident	40 Å²	40	88.4 Å²	88.4	21%	0.209	47%	0.465	C	S	.	.	S	Bend	trans	-85.6	128.2	175.9	-96.6	149.2	0	0	0	109.9	I19 D26 Y27 I39	I19-L22 HydrophobicContact CB-CB 4.31Å; I19-L22 HydrophobicContact CB-CD1 3.9Å; I19-L22 HydrophobicContact CD1-CD1 3.44Å; I19-L22 VanDerWaalsContact CD1-CD1 3.44Å; I19-L22 HydrophobicContact CG1-CD1 4.25Å; I19-L22 HydrophobicContact CG2-CD1 4.03Å; I19-L22 PolarHBondContact O-N 3.35Å; L22-D26 HydrophobicContact CD2-CB 3.63Å; L22-Y27 HydrophobicContact CB-CD2 3.91Å; L22-Y27 HydrophobicContact CB-CE2 3.27Å; L22-Y27 HydrophobicContact CD1-CE2 4.46Å; L22-Y27 HydrophobicContact CG-CE2 4.38Å; L22-I39 HydrophobicContact CD1-CD1 4.3Å; L22-I39 HydrophobicContact CD1-CG1 4.1Å
23	K	75.3	Confident	72.5	Confident	155 Å²	155	89.1 Å²	89.1	67%	0.674	47%	0.474	S	S	*	.			trans	-68.1	146.5	178.7	-61.9	174.6	-177	170.7	0	109.3	N25 D26 Y27	K23-N25 PolarHBondContact O-N 2.91Å; K23-D26 WeakPolarHBondContact CB-OD2 3.4Å; K23-D26 PolarHBondContact N-OD2 3.18Å; K23-D26 WeakPolarHBondContact O-CB 3.4Å; K23-D26 PolarHBondContact O-N 3.42Å; K23-Y27 PolarHBondContact O-N 3.22Å
24	E	71.7	Confident	73.6	Confident	103 Å²	103	91.4 Å²	91.4	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-54.9	-31.5	176	-163.2	72.8	-177	0	0	112.3	K18 Y27 T28	K18-E24 IonicContact NZ-OE1 3.53Å; K18-E24 PolarHBondContact NZ-OE1 2.66Å; K18-E24 IonicContact NZ-OE2 3.6Å; K18-E24 PolarHBondContact NZ-OE2 3.38Å; E24-Y27 WeakPolarHBondContact O-CB 3.43Å; E24-Y27 PolarHBondContact O-N 3.48Å; E24-T28 HydrophobicContact CG-CG2 4.41Å; E24-T28 WeakPolarHBondContact O-CB 3.46Å; E24-T28 VanDerWaalsContact O-CG2 3.31Å; E24-T28 WeakPolarHBondContact O-CG2 3.03Å; E24-T28 PolarHBondContact O-N 2.75Å; E24-T28 PolarHBondContact O-OG1 2.77Å
25	N	76.3	Confident	74.6	Confident	98 Å²	98	95.3 Å²	95.3	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-38.4	174.8	-78.2	-4.9	0	0	0	112.7	K23 Y27 T28 R29	K23-N25 PolarHBondContact O-N 2.91Å; N25-Y27 VanDerWaalsContact C-N 3.29Å; N25-Y27 PolarHBondContact O-N 3.24Å; N25-T28 WeakPolarHBondContact CA-OG1 2.83Å; N25-T28 PolarHBondContact O-N 2.86Å; N25-T28 PolarHBondContact O-OG1 2.83Å; N25-R29 WeakPolarHBondContact O-CB 3.41Å; N25-R29 PolarHBondContact O-N 2.05Å
26	D	76.1	Confident	75.9	Confident	53 Å²	53	92.6 Å²	92.6	28%	0.283	48%	0.482	S	S	.	.	H	α-helix	trans	-69.8	-33.9	179.6	-56	-29.7	0	0	0	110.1	L22 K23 G30 V31	L22-D26 HydrophobicContact CD2-CB 3.63Å; K23-D26 WeakPolarHBondContact CB-OD2 3.4Å; K23-D26 PolarHBondContact N-OD2 3.18Å; K23-D26 WeakPolarHBondContact O-CB 3.4Å; K23-D26 PolarHBondContact O-N 3.42Å; D26-G30 WeakPolarHBondContact O-CA 3.26Å; D26-G30 PolarHBondContact O-N 2.66Å; D26-V31 HydrophobicContact CB-CG2 4.2Å
27	Y	66.6	Low	77.2	Confident	23 Å²	23	94 Å²	94	9%	0.09	48%	0.484	C	S	.	.	H	α-helix	trans	-64.6	-43.1	170	-83.5	-71.9	0	0	0	113.5	F8 D11 I19 L22 K23 E24 N25	F8-Y27 WeakPolarHBondContact CD1-O 3.18Å; F8-Y27 WeakPolarHBondContact CE1-O 3.46Å; D11-Y27 WeakPolarHBondContact OD2-CE1 3.28Å; D11-Y27 PolarHBondContact OD2-OH 3.42Å; I19-Y27 WeakPolarHBondContact CA-OH 3.03Å; I19-Y27 WeakPolarHBondContact CB-OH 3.37Å; I19-Y27 WeakPolarHBondContact CD1-OH 3.35Å; I19-Y27 WeakPolarHBondContact CG1-OH 3.08Å; I19-Y27 PolarHBondContact N-OH 3.39Å; L22-Y27 HydrophobicContact CB-CD2 3.91Å; L22-Y27 HydrophobicContact CB-CE2 3.27Å; L22-Y27 HydrophobicContact CD1-CE2 4.46Å; L22-Y27 HydrophobicContact CG-CE2 4.38Å; K23-Y27 PolarHBondContact O-N 3.22Å; E24-Y27 WeakPolarHBondContact O-CB 3.43Å; E24-Y27 PolarHBondContact O-N 3.48Å; N25-Y27 VanDerWaalsContact C-N 3.29Å; N25-Y27 PolarHBondContact O-N 3.24Å
28	T	66.9	Low	78.4	Confident	72 Å²	72	91.4 Å²	91.4	44%	0.442	47%	0.47	S	S	.	.	H	α-helix	trans	-89.9	-28.1	-170.3	50.9	0	0	0	0	113.9	E24 N25	E24-T28 HydrophobicContact CG-CG2 4.41Å; E24-T28 WeakPolarHBondContact O-CB 3.46Å; E24-T28 VanDerWaalsContact O-CG2 3.31Å; E24-T28 WeakPolarHBondContact O-CG2 3.03Å; E24-T28 PolarHBondContact O-N 2.75Å; E24-T28 PolarHBondContact O-OG1 2.77Å; N25-T28 WeakPolarHBondContact CA-OG1 2.83Å; N25-T28 PolarHBondContact O-N 2.86Å; N25-T28 PolarHBondContact O-OG1 2.83Å
29	R	74.5	Confident	79.5	Confident	210 Å²	210	86.7 Å²	86.7	79%	0.792	45%	0.45	S	S	*	.	H	α-helix	trans	-116	-9.6	-176.3	-59.3	-174.6	177.5	-173.8	-1	113.4	N25	N25-R29 WeakPolarHBondContact O-CB 3.41Å; N25-R29 PolarHBondContact O-N 2.05Å
30	G	77.2	Confident	80.5	Confident	35 Å²	35	90.7 Å²	90.7	36%	0.361	47%	0.47	S	S	.	.			trans	75.2	-175	-169.1	0	0	0	0	0	112	D26	D26-G30 WeakPolarHBondContact O-CA 3.26Å; D26-G30 PolarHBondContact O-N 2.66Å
31	V	82.9	Confident	81.4	Confident	61 Å²	61	86.6 Å²	86.6	37%	0.37	44%	0.441	S	S	.	.			trans	-107.8	123.9	177.7	-173.5	0	0	0	0	108.4	D26 T34 I37	D26-V31 HydrophobicContact CB-CG2 4.2Å; V31-T34 HydrophobicContact CB-CG2 4.41Å; V31-T34 HydrophobicContact CG1-CG2 4.49Å; V31-T34 VanDerWaalsContact CG1-OG1 3.24Å; V31-T34 WeakPolarHBondContact CG1-OG1 3.43Å; V31-T34 WeakPolarHBondContact O-CB 3.48Å; V31-I37 HydrophobicContact CB-CD1 4.11Å; V31-I37 HydrophobicContact CG2-CD1 3.57Å; V31-I37 HydrophobicContact CG2-CG1 4.23Å
32	E	85.2	Confident	82.1	Confident	172 Å²	172	82.6 Å²	82.6	80%	0.804	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	150.4	-178.6	-66.6	-175.3	175.9	0	0	112	T34	E32-T34 PolarHBondContact O-N 3.19Å; E32-T34 VanDerWaalsContact O-N 3.1Å; E32-T34 PolarHBondContact O-OG1 3.26Å
33	N	89.9	Confident	82.7	Confident	170 Å²	170	81.4 Å²	81.4	91%	0.909	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	34.9	177.8	-56.5	-47.6	0	0	0	114.4
34	T	91.1	Very high	82.9	Confident	63 Å²	63	77.6 Å²	77.6	39%	0.387	41%	0.412	S	S	.	.			trans	-124.8	126.6	-173.4	-61.2	0	0	0	0	110.9	V31 E32 L36 I37	V31-T34 HydrophobicContact CB-CG2 4.41Å; V31-T34 HydrophobicContact CG1-CG2 4.49Å; V31-T34 VanDerWaalsContact CG1-OG1 3.24Å; V31-T34 WeakPolarHBondContact CG1-OG1 3.43Å; V31-T34 WeakPolarHBondContact O-CB 3.48Å; E32-T34 PolarHBondContact O-N 3.19Å; E32-T34 VanDerWaalsContact O-N 3.1Å; E32-T34 PolarHBondContact O-OG1 3.26Å; T34-L36 WeakPolarHBondContact CG2-O 3.31Å; T34-I37 HydrophobicContact CG2-CG1 3.85Å
35	D	92.5	Very high	82.9	Confident	119 Å²	119	81 Å²	81	64%	0.636	42%	0.421	S	S	*	.	S	Bend	trans	-90.7	-27	178.7	-76.2	-54.4	0	0	0	113.9	R69	D35-R69 PolarHBondContact O-NH1 3.21Å; D35-R69 PolarHBondContact O-NH2 2.91Å; D35-R69 IonicContact OD1-NH2 3.97Å; D35-R69 PolarHBondContact OD1-NH2 3.46Å; D35-R69 VanDerWaalsContact OD1-NH2 3.16Å
36	L	93.5	Very high	82.6	Confident	41 Å²	41	78.9 Å²	78.9	22%	0.215	42%	0.422	C	S	.	.			trans	-152	130.4	-176.2	175.8	64	0	0	0	109.3	T34 I38 P70 I71 I103 L104	T34-L36 WeakPolarHBondContact CG2-O 3.31Å; L36-I38 HydrophobicContact CD2-CD1 3.93Å; L36-I38 HydrophobicContact CD2-CG1 3.93Å; L36-I38 HydrophobicContact CG-CD1 4.47Å; L36-I38 HydrophobicContact CG-CG1 3.93Å; L36-P70 HydrophobicContact CD1-CB 4.49Å; L36-I71 WeakPolarHBondContact CA-O 3.24Å; L36-I103 HydrophobicContact CD1-CG2 4.13Å; L36-I103 HydrophobicContact CD2-CG2 4.4Å; L36-L104 HydrophobicContact CD2-CD2 3.53Å
37	I	90.6	Very high	82.4	Confident	47 Å²	47	78.1 Å²	78.1	24%	0.241	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.7	170.9	-60.6	169.3	0	0	0	108.1	V31 T34 I39 I71 K72 G73	V31-I37 HydrophobicContact CB-CD1 4.11Å; V31-I37 HydrophobicContact CG2-CD1 3.57Å; V31-I37 HydrophobicContact CG2-CG1 4.23Å; T34-I37 HydrophobicContact CG2-CG1 3.85Å; I37-I39 HydrophobicContact CG2-CG1 4.4Å; I37-I71 PolarHBondContact N-O 2.61Å; I37-K72 HydrophobicContact CB-CG 4.4Å; I37-K72 CarbonylContact O-C 3.56Å; I37-K72 VanDerWaalsContact O-CA 3.27Å; I37-K72 WeakPolarHBondContact O-CA 3.36Å; I37-G73 PolarHBondContact O-N 3.44Å
38	I	91.4	Very high	82.9	Confident	56 Å²	56	77.2 Å²	77.2	29%	0.287	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119	173.2	-55.2	-179.4	0	0	0	108	L36 M40 G73 V75 I100 I103	L36-I38 HydrophobicContact CD2-CD1 3.93Å; L36-I38 HydrophobicContact CD2-CG1 3.93Å; L36-I38 HydrophobicContact CG-CD1 4.47Å; L36-I38 HydrophobicContact CG-CG1 3.93Å; I38-M40 HydrophobicContact CG2-CE 3.79Å; I38-M40 HydrophobicContact CG2-SD 4.42Å; I38-G73 WeakPolarHBondContact CA-O 3.45Å; I38-V75 HydrophobicContact CG2-CG2 3.7Å; I38-I100 HydrophobicContact CD1-CD1 4.37Å; I38-I100 HydrophobicContact CD1-CG1 4.1Å; I38-I100 HydrophobicContact CD1-CG2 4.12Å; I38-I103 HydrophobicContact CG1-CD1 4.47Å; I38-I103 HydrophobicContact CG2-CD1 3.95Å
39	I	88.7	Confident	83.2	Confident	14 Å²	14	78.3 Å²	78.3	7%	0.072	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.7	172.8	-62	138.8	0	0	0	108.1	C13 F14 I19 L22 I37 K72 G73 L74 V75	C13-I39 HydrophobicContact CB-CD1 4.36Å; F14-I39 HydrophobicContact CE2-CG2 3.77Å; F14-I39 HydrophobicContact CZ-CG2 4.03Å; I19-I39 HydrophobicContact CD1-CB 4.43Å; I19-I39 HydrophobicContact CD1-CD1 3.19Å; I19-I39 HydrophobicContact CD1-CG1 3.74Å; I19-I39 HydrophobicContact CD1-CG2 4.08Å; I19-I39 HydrophobicContact CG2-CG2 4.28Å; L22-I39 HydrophobicContact CD1-CD1 4.3Å; L22-I39 HydrophobicContact CD1-CG1 4.1Å; I37-I39 HydrophobicContact CG2-CG1 4.4Å; I39-K72 HydrophobicContact CD1-CD 4.32Å; I39-K72 HydrophobicContact CD1-CG 4.18Å; I39-G73 PolarHBondContact N-O 2.87Å; I39-L74 HydrophobicContact CB-CD1 4.1Å; I39-L74 HydrophobicContact CG2-CD1 3.95Å; I39-L74 WeakPolarHBondContact O-CA 3.21Å; I39-V75 PolarHBondContact O-N 2.86Å
40	M	89.2	Confident	83	Confident	96 Å²	96	72.6 Å²	72.6	47%	0.473	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.6	176.7	-62.6	-77.8	-179.8	0	0	108.1	I38 V75 I100	I38-M40 HydrophobicContact CG2-CE 3.79Å; I38-M40 HydrophobicContact CG2-SD 4.42Å; M40-V75 CarbonylContact C-O 3.43Å; M40-V75 WeakPolarHBondContact CA-O 3.38Å; M40-V75 HydrophobicContact CE-CB 4.46Å; M40-V75 HydrophobicContact CE-CG2 4.2Å; M40-V75 HydrophobicContact SD-CB 3.61Å; M40-V75 HydrophobicContact SD-CG1 3.95Å; M40-V75 HydrophobicContact SD-CG2 4Å; M40-I100 HydrophobicContact CE-CD1 4.44Å
41	D	86.2	Confident	82.3	Confident	35 Å²	35	77.2 Å²	77.2	19%	0.187	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111.1	173.8	-177.8	17.8	0	0	0	110.2	F14 S43 L74 V75 V76 I77	F14-D41 HydrophobicContact CE1-CB 4.38Å; F14-D41 HydrophobicContact CZ-CB 4.1Å; D41-S43 VanDerWaalsContact CG-OG 3.29Å; D41-S43 PolarHBondContact O-N 3.01Å; D41-S43 WeakPolarHBondContact OD1-CB 2.97Å; D41-S43 PolarHBondContact OD1-OG 2.78Å; D41-S43 PolarHBondContact OD2-OG 3.34Å; D41-L74 HydrophobicContact CB-CD1 4.16Å; D41-V75 PolarHBondContact N-O 3.15Å; D41-V76 HydrophobicContact CB-CG2 4.36Å; D41-V76 CarbonylContact O-C 3.53Å; D41-V76 VanDerWaalsContact O-CA 3.25Å; D41-V76 WeakPolarHBondContact O-CA 3.24Å; D41-I77 PolarHBondContact O-N 2.84Å
42	A	88.2	Confident	81.5	Confident	71 Å²	71	76.1 Å²	76.1	59%	0.587	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	80.8	173	0	0	0	0	0	109.4	I77	A42-I77 WeakPolarHBondContact CA-O 3.48Å
43	S	82.6	Confident	80.8	Confident	16 Å²	16	72.4 Å²	72.4	11%	0.112	42%	0.424	C	S	.	.	S	Bend	trans	-141.4	151.4	-179.8	79.2	0	0	0	0	112.2	D41 R45 I77	D41-S43 VanDerWaalsContact CG-OG 3.29Å; D41-S43 PolarHBondContact O-N 3.01Å; D41-S43 WeakPolarHBondContact OD1-CB 2.97Å; D41-S43 PolarHBondContact OD1-OG 2.78Å; D41-S43 PolarHBondContact OD2-OG 3.34Å; S43-R45 VanDerWaalsContact C-N 3.26Å; S43-R45 PolarHBondContact O-N 2.71Å; S43-I77 PolarHBondContact N-O 2.79Å
44	D	78.9	Confident	80.3	Confident	75 Å²	75	66.5 Å²	66.5	40%	0.401	39%	0.394	S	S	.	.	S	Bend	trans	-89.7	63.7	173.5	-64.5	-27.6	0	0	0	109.7	T49 C78 S79 G80	D44-T49 WeakPolarHBondContact O-CG2 3.49Å; D44-C78 VanDerWaalsContact OD1-C 3.28Å; D44-S79 PolarHBondContact OD1-N 2.89Å; D44-S79 PolarHBondContact OD1-OG 2.79Å; D44-G80 PolarHBondContact OD1-N 3.31Å; D44-G80 WeakPolarHBondContact OD2-CA 3.34Å; D44-G80 PolarHBondContact OD2-N 2.74Å
45	R	72.2	Confident	79.9	Confident	175 Å²	175	65.1 Å²	65.1	66%	0.66	39%	0.385	S	S	*	.			trans	-120.1	162.7	178.8	-65.9	-179.6	177.3	174.6	0.9	111.4	S43 S47 C48	S43-R45 VanDerWaalsContact C-N 3.26Å; S43-R45 PolarHBondContact O-N 2.71Å; R45-S47 PolarHBondContact O-N 3.44Å; R45-C48 VanDerWaalsContact O-CB 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.38Å; R45-C48 PolarHBondContact O-N 3.14Å
46	G	70.7	Confident	79.7	Confident	53 Å²	53	59.9 Å²	59.9	55%	0.546	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	58.4	-133	179.6	0	0	0	0	0	111.7	C48 T49	G46-C48 PolarHBondContact O-N 2.86Å; G46-T49 WeakPolarHBondContact O-CB 3.31Å; G46-T49 PolarHBondContact O-N 3.29Å; G46-T49 PolarHBondContact O-OG1 2.83Å
47	S	71.3	Confident	79.5	Confident	36 Å²	36	60.6 Å²	60.6	25%	0.252	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-62.3	-13.8	-179.1	60	0	0	0	0	114.5	R45 T49 D50 H57	R45-S47 PolarHBondContact O-N 3.44Å; S47-T49 PolarHBondContact O-N 2.9Å; S47-D50 WeakPolarHBondContact CA-OD2 3.44Å; S47-D50 PolarHBondContact O-N 2.93Å; S47-H57 PolarHBondContact OG-CE1 3.24Å; S47-H57 PolarHBondContact OG-ND1 2.81Å
48	C	77.4	Confident	79.5	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.027	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-67.8	-19.4	170.9	-61.9	0	0	0	0	113.2	R45 G46 C78 K81	R45-C48 VanDerWaalsContact O-CB 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.38Å; R45-C48 PolarHBondContact O-N 3.14Å; G46-C48 PolarHBondContact O-N 2.86Å; C48-C78 WeakPolarHBondContact CA-SG 3.39Å; C48-C78 HydrophobicContact CB-CB 3.52Å; C48-C78 WeakPolarHBondContact CB-SG 3.44Å; C48-C78 WeakPolarHBondContact SG-CA 3.33Å; C48-C78 WeakPolarHBondContact SG-CB 3.23Å; C48-C78 CovalentContact SG-SG 2.03Å; C48-C78 PolarHBondContact SG-SG 3.41Å; C48-K81 WeakPolarHBondContact O-CE 3.32Å
49	T	73.4	Confident	79.5	Confident	96 Å²	96	58.8 Å²	58.8	59%	0.589	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-84.7	-14.8	178.1	64.4	0	0	0	0	113	D44 G46 S47	D44-T49 WeakPolarHBondContact O-CG2 3.49Å; G46-T49 WeakPolarHBondContact O-CB 3.31Å; G46-T49 PolarHBondContact O-N 3.29Å; G46-T49 PolarHBondContact O-OG1 2.83Å; S47-T49 PolarHBondContact O-N 2.9Å
50	D	70.6	Confident	79.7	Confident	89 Å²	89	58.6 Å²	58.6	48%	0.476	36%	0.357	S	S	.	.	S	Bend	trans	-67.7	161.5	-179.9	-64.4	-26.1	0	0	0	111.3	S47 S52 K81	S47-D50 WeakPolarHBondContact CA-OD2 3.44Å; S47-D50 PolarHBondContact O-N 2.93Å; D50-S52 PolarHBondContact O-N 2.87Å; D50-K81 PolarHBondContact O-NZ 3.07Å
51	S	60.8	Low	79.7	Confident	133 Å²	133	54.8 Å²	54.8	93%	0.93	34%	0.339	S	S	*	.	S	Bend	trans	-66.5	-1.9	170.8	58.1	0	0	0	0	113
52	S	66.2	Low	79.9	Confident	38 Å²	38	56.9 Å²	56.9	27%	0.266	35%	0.348	S	S	.	.	S	Bend	trans	-63.3	156.6	175.8	70	0	0	0	0	111.4	D50 T54 K81	D50-S52 PolarHBondContact O-N 2.87Å; S52-T54 WeakPolarHBondContact CB-OG1 3.47Å; S52-T54 PolarHBondContact O-N 2.72Å; S52-T54 WeakPolarHBondContact OG-CB 3.19Å; S52-T54 PolarHBondContact OG-OG1 3.31Å; S52-K81 PolarHBondContact O-NZ 2.87Å
53	S	71.5	Confident	80.1	Confident	94 Å²	94	55.3 Å²	55.3	66%	0.657	33%	0.329	S	S	*	.			trans	-87.2	19.7	171.4	57.1	0	0	0	0	112.4	L55	S53-L55 PolarHBondContact O-N 2.85Å
54	T	79.2	Confident	80.6	Confident	46 Å²	46	57.7 Å²	57.7	28%	0.282	34%	0.339	S	S	.	.			trans	-59.5	122.1	-178.8	-58.7	0	0	0	0	110	S52 A56 C78	S52-T54 WeakPolarHBondContact CB-OG1 3.47Å; S52-T54 PolarHBondContact O-N 2.72Å; S52-T54 WeakPolarHBondContact OG-CB 3.19Å; S52-T54 PolarHBondContact OG-OG1 3.31Å; T54-A56 WeakPolarHBondContact CG2-O 3.26Å; T54-C78 PolarHBondContact O-SG 3.02Å; T54-C78 VanDerWaalsContact O-SG 3.39Å
55	L	83.5	Confident	81.1	Confident	34 Å²	34	59 Å²	59	18%	0.178	35%	0.351	C	S	.	.			trans	-91.4	-32.8	179.3	-69.4	-178.4	0	0	0	112.4	S53 C78 K81 V82 Q85 T95	S53-L55 PolarHBondContact O-N 2.85Å; L55-C78 WeakPolarHBondContact O-CB 3.2Å; L55-C78 PolarHBondContact O-N 3.21Å; L55-K81 HydrophobicContact CD2-CB 4.03Å; L55-V82 HydrophobicContact CB-CG2 4.44Å; L55-V82 HydrophobicContact CD2-CG2 4.15Å; L55-Q85 HydrophobicContact CD2-CG 4.38Å; L55-T95 HydrophobicContact CB-CG2 4.35Å
56	A	87.8	Confident	82	Confident	9 Å²	9	58.5 Å²	58.5	7%	0.074	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165	175.2	0	0	0	0	0	109.2	T54 V76 T95 E99	T54-A56 WeakPolarHBondContact CG2-O 3.26Å; A56-V76 CarbonylContact C-O 3.59Å; A56-V76 WeakPolarHBondContact CA-O 3.41Å; A56-V76 VanDerWaalsContact CB-O 3.29Å; A56-V76 WeakPolarHBondContact CB-O 3.47Å; A56-T95 HydrophobicContact CB-CG2 4.18Å; A56-E99 HydrophobicContact CB-CG 3.64Å
57	H	88.5	Confident	83	Confident	56 Å²	56	58.7 Å²	58.7	26%	0.259	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.4	168.9	59	-84.6	0	0	0	109.5	S47 V76 E99	S47-H57 PolarHBondContact OG-CE1 3.24Å; S47-H57 PolarHBondContact OG-ND1 2.81Å; H57-V76 WeakPolarHBondContact CE1-CB 3.31Å; H57-V76 PolarHBondContact N-O 2.83Å; H57-V76 WeakPolarHBondContact NE2-CG2 3.46Å; H57-V76 PolarHBondContact O-N 2.94Å; H57-E99 WeakPolarHBondContact CA-OE2 3.04Å
58	A	91	Very high	84.1	Confident	16 Å²	16	61.7 Å²	61.7	13%	0.132	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.1	177.7	0	0	0	0	0	114.7	L74 V75 E99 I103	A58-L74 WeakPolarHBondContact CA-O 3.22Å; A58-L74 WeakPolarHBondContact CB-O 3.41Å; A58-V75 HydrophobicContact CB-CB 4.33Å; A58-V75 HydrophobicContact CB-CG2 3.89Å; A58-E99 HydrophobicContact CB-CB 3.62Å; A58-E99 HydrophobicContact CB-CG 4.38Å; A58-E99 WeakPolarHBondContact CB-O 3.39Å; A58-E99 PolarHBondContact N-OE2 3.41Å; A58-I103 HydrophobicContact CB-CD1 4.09Å; A58-I103 HydrophobicContact CB-CG1 3.98Å
59	S	91	Very high	84.9	Confident	49 Å²	49	63.6 Å²	63.6	34%	0.343	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	147.5	-179.5	-166	0	0	0	0	111.2	G73 L74	S59-G73 WeakPolarHBondContact O-CA 3.4Å; S59-L74 PolarHBondContact N-O 2.79Å; S59-L74 VanDerWaalsContact N-O 3.1Å; S59-L74 PolarHBondContact O-N 2.9Å
60	P	93.1	Very high	86	Confident	9 Å²	9	59 Å²	59	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.8	166.5	30.7	-35.3	0	0	0	109.7	L63 P70 S107 I110 L111	P60-L63 HydrophobicContact CB-CD2 4.17Å; P60-P70 HydrophobicContact CB-CB 4.28Å; P60-P70 HydrophobicContact CB-CG 4.37Å; P60-S107 VanDerWaalsContact CD-OG 3.27Å; P60-S107 WeakPolarHBondContact CD-OG 3.49Å; P60-I110 HydrophobicContact CG-CB 4.35Å; P60-I110 HydrophobicContact CG-CD1 4.11Å; P60-I110 HydrophobicContact CG-CG2 3.97Å; P60-L111 HydrophobicContact CG-CD1 4.11Å; P60-L111 HydrophobicContact CG-CD2 4.11Å; P60-L111 HydrophobicContact CG-CG 4.18Å
61	C	89	Confident	87.1	Confident	16 Å²	16	56.7 Å²	56.7	11%	0.108	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-25	177.1	-39.8	0	0	0	0	112.8	Q12 C13 K72	Q12-C61 HydrophobicContact CB-CB 4.32Å; Q12-C61 WeakPolarHBondContact CB-O 3.41Å; Q12-C61 PolarHBondContact OE1-O 3.45Å; C13-C61 WeakPolarHBondContact CA-SG 3.39Å; C13-C61 HydrophobicContact CB-CB 3.87Å; C13-C61 WeakPolarHBondContact CB-SG 3.21Å; C13-C61 WeakPolarHBondContact SG-CB 3.5Å; C13-C61 CovalentContact SG-SG 2.03Å; C13-C61 PolarHBondContact SG-SG 2.91Å; C61-K72 PolarHBondContact N-O 3.35Å
62	E	90.2	Very high	88.6	Confident	80 Å²	80	51.3 Å²	51.3	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.4	-177.8	-161.7	179.4	150.8	0	0	110.5	I71 K72	E62-I71 HydrophobicContact CB-CG1 4.13Å; E62-I71 HydrophobicContact CG-CD1 4.05Å; E62-I71 HydrophobicContact CG-CG1 4.11Å; E62-I71 WeakPolarHBondContact O-CG1 3.45Å; E62-I71 PolarHBondContact O-N 3.11Å; E62-K72 HydrophobicContact CB-CB 3.61Å; E62-K72 HydrophobicContact CB-CD 4.45Å; E62-K72 PolarHBondContact N-O 2.74Å; E62-K72 VanDerWaalsContact N-O 3.16Å; E62-K72 PolarHBondContact O-N 2.79Å
63	L	92.8	Very high	89.8	Confident	37 Å²	37	49.5 Å²	49.5	19%	0.194	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.7	178.9	-52.7	-176	0	0	0	109.5	P60 P70 I110 L111 R114	P60-L63 HydrophobicContact CB-CD2 4.17Å; L63-P70 HydrophobicContact CD2-CB 4.24Å; L63-P70 HydrophobicContact CD2-CG 3.97Å; L63-I110 HydrophobicContact CD1-CG2 4.17Å; L63-L111 HydrophobicContact CD1-CD2 4.31Å; L63-L111 HydrophobicContact CD2-CD2 3.67Å; L63-R114 VanDerWaalsContact CD1-CD 3.49Å
64	H	92.5	Very high	90.7	Very high	66 Å²	66	46.1 Å²	46.1	31%	0.306	24%	0.238	S	C	.	.			trans	-60.1	129.8	175	-178.2	-80.3	0	0	0	110.5	K66 T67 Y68 R69 I71	H64-K66 PolarHBondContact ND1-N 3.02Å; H64-K66 PolarHBondContact O-N 2.81Å; H64-T67 WeakPolarHBondContact CB-OG1 3.48Å; H64-T67 PolarHBondContact ND1-N 3.02Å; H64-T67 PolarHBondContact ND1-OG1 2.96Å; H64-T67 VanDerWaalsContact ND1-OG1 3.12Å; H64-Y68 WeakPolarHBondContact O-CA 3.48Å; H64-Y68 PolarHBondContact O-N 2.91Å; H64-R69 WeakPolarHBondContact CB-O 3.47Å; H64-R69 PolarHBondContact N-O 2.95Å; H64-I71 HydrophobicContact CB-CG2 3.75Å
65	P	90.7	Very high	91.3	Very high	102 Å²	102	44 Å²	44	66%	0.662	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19	-166.1	22.8	-35	0	0	0	115.4
66	K	90	Very high	91.5	Very high	166 Å²	166	42.7 Å²	42.7	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-58.3	177.8	-59.7	-177.2	179	178.9	0	112.9	H64 Y68 R116	H64-K66 PolarHBondContact ND1-N 3.02Å; H64-K66 PolarHBondContact O-N 2.81Å; K66-Y68 VanDerWaalsContact C-N 3.33Å; K66-R116 PolarHBondContact O-NH2 3.35Å
67	T	91.9	Very high	91.6	Very high	57 Å²	57	44 Å²	44	35%	0.35	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.5	-177.2	60.4	0	0	0	0	113.7	H64 R69 R116 W219	H64-T67 WeakPolarHBondContact CB-OG1 3.48Å; H64-T67 PolarHBondContact ND1-N 3.02Å; H64-T67 PolarHBondContact ND1-OG1 2.96Å; H64-T67 VanDerWaalsContact ND1-OG1 3.12Å; T67-R69 PolarHBondContact O-N 2.8Å; T67-R69 PolarHBondContact OG1-N 2.99Å; T67-R116 PolarHBondContact O-NE 2.85Å; T67-W219 PolarHBondContact O-NE1 2.83Å
68	Y	94.3	Very high	91.6	Very high	99 Å²	99	41.3 Å²	41.3	39%	0.388	21%	0.212	S	C	.	.			trans	61.1	11.5	-171	-58.5	-70.9	0	0	0	115.2	H64 K66 R114 R116 W219	H64-Y68 WeakPolarHBondContact O-CA 3.48Å; H64-Y68 PolarHBondContact O-N 2.91Å; K66-Y68 VanDerWaalsContact C-N 3.33Å; Y68-R114 HydrophobicContact CG-CB 4.26Å; Y68-R114 HydrophobicContact CG-CG 4.3Å; Y68-R116 VanDerWaalsContact CD2-NH2 3.25Å; Y68-W219 WeakPolarHBondContact O-CZ2 3.35Å
69	R	95.8	Very high	91.5	Very high	44 Å²	44	42.1 Å²	42.1	17%	0.166	22%	0.216	C	C	.	.			trans	-64.3	136.5	172.8	-176.5	172.8	69.9	77.8	-10.2	109.7	D35 H64 T67 I71 W219	D35-R69 PolarHBondContact O-NH1 3.21Å; D35-R69 PolarHBondContact O-NH2 2.91Å; D35-R69 IonicContact OD1-NH2 3.97Å; D35-R69 PolarHBondContact OD1-NH2 3.46Å; D35-R69 VanDerWaalsContact OD1-NH2 3.16Å; H64-R69 WeakPolarHBondContact CB-O 3.47Å; H64-R69 PolarHBondContact N-O 2.95Å; T67-R69 PolarHBondContact O-N 2.8Å; T67-R69 PolarHBondContact OG1-N 2.99Å; R69-I71 PolarHBondContact O-N 3.38Å; R69-W219 HydrophobicContact CB-CB 4.29Å; R69-W219 HydrophobicContact CB-CD2 4.01Å; R69-W219 HydrophobicContact CB-CG 3.71Å; R69-W219 HydrophobicContact CG-CB 3.76Å; R69-W219 HydrophobicContact CG-CD2 4.07Å; R69-W219 HydrophobicContact CG-CG 3.68Å
70	P	95.9	Very high	91.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	129.1	168.6	-27.9	36	0	0	0	111.8	L36 P60 L63 I103 L111 W219	L36-P70 HydrophobicContact CD1-CB 4.49Å; P60-P70 HydrophobicContact CB-CB 4.28Å; P60-P70 HydrophobicContact CB-CG 4.37Å; L63-P70 HydrophobicContact CD2-CB 4.24Å; L63-P70 HydrophobicContact CD2-CG 3.97Å; P70-I103 HydrophobicContact CB-CG2 4.49Å; P70-I103 WeakPolarHBondContact CB-O 3.44Å; P70-I103 WeakPolarHBondContact CG-O 3.44Å; P70-L111 HydrophobicContact CG-CD1 4.12Å; P70-L111 HydrophobicContact CG-CD2 3.76Å; P70-W219 VanDerWaalsContact CD-CE3 3.48Å; P70-W219 VanDerWaalsContact CD-CZ3 3.44Å; P70-W219 HydrophobicContact CG-CE3 4.38Å; P70-W219 HydrophobicContact CG-CZ3 4.05Å
71	I	93.6	Very high	90.6	Very high	39 Å²	39	42 Å²	42	20%	0.2	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-14.5	175.7	55.6	170.3	0	0	0	112.4	L36 I37 E62 H64 R69	L36-I71 WeakPolarHBondContact CA-O 3.24Å; I37-I71 PolarHBondContact N-O 2.61Å; E62-I71 HydrophobicContact CB-CG1 4.13Å; E62-I71 HydrophobicContact CG-CD1 4.05Å; E62-I71 HydrophobicContact CG-CG1 4.11Å; E62-I71 WeakPolarHBondContact O-CG1 3.45Å; E62-I71 PolarHBondContact O-N 3.11Å; H64-I71 HydrophobicContact CB-CG2 3.75Å; R69-I71 PolarHBondContact O-N 3.38Å
72	K	91.3	Very high	90.3	Very high	21 Å²	21	42.2 Å²	42.2	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137	172.9	-162.8	-179.9	179.9	-173.8	0	110.2	D11 I37 I39 C61 E62	D11-K72 IonicContact OD1-NZ 3.91Å; D11-K72 PolarHBondContact OD1-NZ 3.12Å; D11-K72 IonicContact OD2-NZ 3.55Å; D11-K72 PolarHBondContact OD2-NZ 3.45Å; I37-K72 HydrophobicContact CB-CG 4.4Å; I37-K72 CarbonylContact O-C 3.56Å; I37-K72 VanDerWaalsContact O-CA 3.27Å; I37-K72 WeakPolarHBondContact O-CA 3.36Å; I39-K72 HydrophobicContact CD1-CD 4.32Å; I39-K72 HydrophobicContact CD1-CG 4.18Å; C61-K72 PolarHBondContact N-O 3.35Å; E62-K72 HydrophobicContact CB-CB 3.61Å; E62-K72 HydrophobicContact CB-CD 4.45Å; E62-K72 PolarHBondContact N-O 2.74Å; E62-K72 VanDerWaalsContact N-O 3.16Å; E62-K72 PolarHBondContact O-N 2.79Å
73	G	92.5	Very high	89.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.2	173.3	0	0	0	0	0	112.2	I37 I38 I39 S59	I37-G73 PolarHBondContact O-N 3.44Å; I38-G73 WeakPolarHBondContact CA-O 3.45Å; I39-G73 PolarHBondContact N-O 2.87Å; S59-G73 WeakPolarHBondContact O-CA 3.4Å
74	L	90.4	Very high	89	Confident	23 Å²	23	50.5 Å²	50.5	12%	0.12	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.1	176.3	173.3	64.2	0	0	0	108.8	C13 F14 I39 D41 A58 S59 V76	C13-L74 HydrophobicContact CB-CB 4.13Å; C13-L74 HydrophobicContact CB-CD2 4.35Å; C13-L74 VanDerWaalsContact O-CD2 3.27Å; C13-L74 WeakPolarHBondContact O-CD2 3.48Å; F14-L74 HydrophobicContact CE2-CD1 3.77Å; F14-L74 HydrophobicContact CE2-CD2 4.33Å; F14-L74 HydrophobicContact CZ-CD1 3.69Å; F14-L74 HydrophobicContact CZ-CD2 4.4Å; I39-L74 HydrophobicContact CB-CD1 4.1Å; I39-L74 HydrophobicContact CG2-CD1 3.95Å; I39-L74 WeakPolarHBondContact O-CA 3.21Å; D41-L74 HydrophobicContact CB-CD1 4.16Å; A58-L74 WeakPolarHBondContact CA-O 3.22Å; A58-L74 WeakPolarHBondContact CB-O 3.41Å; S59-L74 PolarHBondContact N-O 2.79Å; S59-L74 VanDerWaalsContact N-O 3.1Å; S59-L74 PolarHBondContact O-N 2.9Å; L74-V76 HydrophobicContact CD1-CG2 4.15Å; L74-V76 HydrophobicContact CD2-CG2 3.77Å; L74-V76 HydrophobicContact CG-CG2 3.8Å
75	V	91.2	Very high	87.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.8	164.4	-178.6	0	0	0	0	107.3	I38 I39 M40 D41 A58 I77 L96 E99 I100 I103	I38-V75 HydrophobicContact CG2-CG2 3.7Å; I39-V75 PolarHBondContact O-N 2.86Å; M40-V75 CarbonylContact C-O 3.43Å; M40-V75 WeakPolarHBondContact CA-O 3.38Å; M40-V75 HydrophobicContact CE-CB 4.46Å; M40-V75 HydrophobicContact CE-CG2 4.2Å; M40-V75 HydrophobicContact SD-CB 3.61Å; M40-V75 HydrophobicContact SD-CG1 3.95Å; M40-V75 HydrophobicContact SD-CG2 4Å; D41-V75 PolarHBondContact N-O 3.15Å; A58-V75 HydrophobicContact CB-CB 4.33Å; A58-V75 HydrophobicContact CB-CG2 3.89Å; V75-I77 HydrophobicContact CG1-CG1 4.35Å; V75-L96 HydrophobicContact CG1-CD2 4Å; V75-E99 HydrophobicContact CG1-CB 4.12Å; V75-E99 HydrophobicContact CG1-CG 4.46Å; V75-I100 HydrophobicContact CG2-CG1 4.33Å; V75-I103 HydrophobicContact CG2-CD1 3.62Å
76	V	88.9	Confident	86.8	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126	172.3	-176.7	0	0	0	0	108.4	D41 A56 H57 L74	D41-V76 HydrophobicContact CB-CG2 4.36Å; D41-V76 CarbonylContact O-C 3.53Å; D41-V76 VanDerWaalsContact O-CA 3.25Å; D41-V76 WeakPolarHBondContact O-CA 3.24Å; A56-V76 CarbonylContact C-O 3.59Å; A56-V76 WeakPolarHBondContact CA-O 3.41Å; A56-V76 VanDerWaalsContact CB-O 3.29Å; A56-V76 WeakPolarHBondContact CB-O 3.47Å; H57-V76 WeakPolarHBondContact CE1-CB 3.31Å; H57-V76 PolarHBondContact N-O 2.83Å; H57-V76 WeakPolarHBondContact NE2-CG2 3.46Å; H57-V76 PolarHBondContact O-N 2.94Å; L74-V76 HydrophobicContact CD1-CG2 4.15Å; L74-V76 HydrophobicContact CD2-CG2 3.77Å; L74-V76 HydrophobicContact CG-CG2 3.8Å
77	I	89.6	Confident	85.8	Confident	37 Å²	37	46.6 Å²	46.6	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.3	177	-55.2	171.9	0	0	0	107.9	D41 A42 S43 V75 S79 V82 L96	D41-I77 PolarHBondContact O-N 2.84Å; A42-I77 WeakPolarHBondContact CA-O 3.48Å; S43-I77 PolarHBondContact N-O 2.79Å; V75-I77 HydrophobicContact CG1-CG1 4.35Å; I77-S79 VanDerWaalsContact C-N 3.25Å; I77-S79 PolarHBondContact O-N 2.8Å; I77-V82 HydrophobicContact CG2-CG2 3.95Å; I77-L96 HydrophobicContact CD1-CD2 3.81Å; I77-L96 HydrophobicContact CG1-CD2 3.95Å
78	C	88.9	Confident	84.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.			trans	-74.2	79.4	179.7	-53	0	0	0	0	110.1	D44 C48 T54 L55 G80 K81 V82	D44-C78 VanDerWaalsContact OD1-C 3.28Å; C48-C78 WeakPolarHBondContact CA-SG 3.39Å; C48-C78 HydrophobicContact CB-CB 3.52Å; C48-C78 WeakPolarHBondContact CB-SG 3.44Å; C48-C78 WeakPolarHBondContact SG-CA 3.33Å; C48-C78 WeakPolarHBondContact SG-CB 3.23Å; C48-C78 CovalentContact SG-SG 2.03Å; C48-C78 PolarHBondContact SG-SG 3.41Å; T54-C78 PolarHBondContact O-SG 3.02Å; T54-C78 VanDerWaalsContact O-SG 3.39Å; L55-C78 WeakPolarHBondContact O-CB 3.2Å; L55-C78 PolarHBondContact O-N 3.21Å; C78-G80 VanDerWaalsContact C-N 3.28Å; C78-G80 PolarHBondContact O-N 2.87Å; C78-G80 VanDerWaalsContact O-N 3.17Å; C78-K81 HydrophobicContact CB-CB 3.99Å; C78-K81 HydrophobicContact CB-CG 3.87Å; C78-K81 WeakPolarHBondContact O-CB 3.36Å; C78-K81 PolarHBondContact O-N 3.26Å; C78-V82 PolarHBondContact O-N 3.12Å
79	S	87	Confident	83.9	Confident	32 Å²	32	46.8 Å²	46.8	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-51	-41.5	-169.9	64.9	0	0	0	0	113.9	D44 I77 Q83	D44-S79 PolarHBondContact OD1-N 2.89Å; D44-S79 PolarHBondContact OD1-OG 2.79Å; I77-S79 VanDerWaalsContact C-N 3.25Å; I77-S79 PolarHBondContact O-N 2.8Å; S79-Q83 WeakPolarHBondContact O-CB 3.24Å; S79-Q83 VanDerWaalsContact O-CG 3.27Å; S79-Q83 WeakPolarHBondContact O-CG 3.42Å; S79-Q83 PolarHBondContact O-N 3.09Å
80	G	84.9	Confident	83	Confident	13 Å²	13	48.2 Å²	48.2	13%	0.134	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-38	177.8	0	0	0	0	0	112.5	D44 C78 Q84	D44-G80 PolarHBondContact OD1-N 3.31Å; D44-G80 WeakPolarHBondContact OD2-CA 3.34Å; D44-G80 PolarHBondContact OD2-N 2.74Å; C78-G80 VanDerWaalsContact C-N 3.28Å; C78-G80 PolarHBondContact O-N 2.87Å; C78-G80 VanDerWaalsContact O-N 3.17Å; G80-Q84 WeakPolarHBondContact O-CB 3.17Å; G80-Q84 WeakPolarHBondContact O-CG 3.37Å; G80-Q84 PolarHBondContact O-N 3.19Å
81	K	81.9	Confident	82.1	Confident	43 Å²	43	49.6 Å²	49.6	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-70.6	-42.4	178.1	-57.5	-74.9	-179.3	151.3	0	111.1	C48 D50 S52 L55 C78 Q84 Q85	C48-K81 WeakPolarHBondContact O-CE 3.32Å; D50-K81 PolarHBondContact O-NZ 3.07Å; S52-K81 PolarHBondContact O-NZ 2.87Å; L55-K81 HydrophobicContact CD2-CB 4.03Å; C78-K81 HydrophobicContact CB-CB 3.99Å; C78-K81 HydrophobicContact CB-CG 3.87Å; C78-K81 WeakPolarHBondContact O-CB 3.36Å; C78-K81 PolarHBondContact O-N 3.26Å; K81-Q84 PolarHBondContact O-N 3.05Å; K81-Q85 PolarHBondContact O-N 2.88Å
82	V	81.8	Confident	81.5	Confident	21 Å²	21	49.2 Å²	49.2	13%	0.127	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-43.6	174.7	175.2	0	0	0	0	111	L55 I77 C78 Q84 Q85 G86 L87	L55-V82 HydrophobicContact CB-CG2 4.44Å; L55-V82 HydrophobicContact CD2-CG2 4.15Å; I77-V82 HydrophobicContact CG2-CG2 3.95Å; C78-V82 PolarHBondContact O-N 3.12Å; V82-Q84 PolarHBondContact O-N 2.76Å; V82-Q85 PolarHBondContact O-N 2.69Å; V82-G86 CarbonylContact O-C 3.51Å; V82-G86 PolarHBondContact O-N 2.73Å; V82-G86 VanDerWaalsContact O-N 3.12Å; V82-L87 HydrophobicContact CG1-CD1 3.74Å
83	Q	80.3	Confident	81.3	Confident	153 Å²	153	51.5 Å²	51.5	72%	0.715	28%	0.278	S	S	*	.	H	α-helix	trans	-63.7	-39.6	176.1	-75.9	176.4	16.8	0	0	112.5	S79 G86	S79-Q83 WeakPolarHBondContact O-CB 3.24Å; S79-Q83 VanDerWaalsContact O-CG 3.27Å; S79-Q83 WeakPolarHBondContact O-CG 3.42Å; S79-Q83 PolarHBondContact O-N 3.09Å; Q83-G86 PolarHBondContact O-N 2.9Å
84	Q	75.6	Confident	81.1	Confident	137 Å²	137	52.3 Å²	52.3	64%	0.64	28%	0.284	S	S	*	.	H	α-helix	trans	-65.2	-41.7	178.8	-76.9	171.6	26.9	0	0	112.9	G80 K81 V82 G86	G80-Q84 WeakPolarHBondContact O-CB 3.17Å; G80-Q84 WeakPolarHBondContact O-CG 3.37Å; G80-Q84 PolarHBondContact O-N 3.19Å; K81-Q84 PolarHBondContact O-N 3.05Å; V82-Q84 PolarHBondContact O-N 2.76Å; Q84-G86 VanDerWaalsContact C-N 3.27Å; Q84-G86 PolarHBondContact O-N 3.4Å
85	Q	68.8	Low	81.1	Confident	92 Å²	92	51.9 Å²	51.9	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-75.2	-18.4	178	-68.8	-168	3.3	0	0	113.1	L55 K81 V82	L55-Q85 HydrophobicContact CD2-CG 4.38Å; K81-Q85 PolarHBondContact O-N 2.88Å; V82-Q85 PolarHBondContact O-N 2.69Å
86	G	68.5	Low	81.1	Confident	33 Å²	33	53.8 Å²	53.8	34%	0.34	29%	0.293	S	S	.	.			trans	84.9	136.2	-170.6	0	0	0	0	0	110.9	V82 Q83 Q84 N88	V82-G86 CarbonylContact O-C 3.51Å; V82-G86 PolarHBondContact O-N 2.73Å; V82-G86 VanDerWaalsContact O-N 3.12Å; Q83-G86 PolarHBondContact O-N 2.9Å; Q84-G86 VanDerWaalsContact C-N 3.27Å; Q84-G86 PolarHBondContact O-N 3.4Å; G86-N88 PolarHBondContact O-N 2.71Å
87	L	68.7	Low	81.4	Confident	128 Å²	128	57 Å²	57	67%	0.67	31%	0.308	S	S	*	.			trans	-72.9	102.2	-178.8	-172.6	72.3	0	0	0	110.3	V82 T92	V82-L87 HydrophobicContact CG1-CD1 3.74Å; L87-T92 HydrophobicContact CD1-CG2 4.26Å
88	N	70.9	Confident	81.6	Confident	33 Å²	33	56 Å²	56	18%	0.176	30%	0.303	C	S	.	.			trans	-95.6	106.5	163.5	-177.5	-36	0	0	0	108.6	G86 I90 S91 T92	G86-N88 PolarHBondContact O-N 2.71Å; N88-I90 PolarHBondContact O-N 3.16Å; N88-I90 PolarHBondContact OD1-N 3.11Å; N88-S91 PolarHBondContact O-N 2.78Å; N88-S91 PolarHBondContact OD1-N 2.96Å; N88-T92 WeakPolarHBondContact O-CB 3.46Å; N88-T92 PolarHBondContact O-N 3.25Å; N88-T92 PolarHBondContact O-OG1 3.37Å
89	L	76.3	Confident	81.9	Confident	126 Å²	126	56.7 Å²	56.7	66%	0.66	31%	0.307	S	S	*	.	H	α-helix	trans	-54.3	-40.2	-175.7	-178.3	63.8	0	0	0	112.9	V93	L89-V93 HydrophobicContact CD1-CG2 4.09Å; L89-V93 HydrophobicContact CG-CG2 4.41Å; L89-V93 WeakPolarHBondContact O-CB 2.95Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 2.8Å
90	I	75.9	Confident	82.4	Confident	74 Å²	74	57.2 Å²	57.2	38%	0.379	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-49.2	-177.5	-63	174.4	0	0	0	109.8	N88 V93 S94	N88-I90 PolarHBondContact O-N 3.16Å; N88-I90 PolarHBondContact OD1-N 3.11Å; I90-V93 PolarHBondContact O-N 2.87Å; I90-S94 PolarHBondContact O-N 3.29Å
91	S	76.9	Confident	82.9	Confident	29 Å²	29	57.5 Å²	57.5	20%	0.203	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-46.7	177.2	-53.3	0	0	0	0	111.1	N88 V93 S94 T95 Q200	N88-S91 PolarHBondContact O-N 2.78Å; N88-S91 PolarHBondContact OD1-N 2.96Å; S91-V93 PolarHBondContact O-N 3.11Å; S91-S94 PolarHBondContact O-N 2.92Å; S91-T95 PolarHBondContact O-N 3.44Å; S91-T95 PolarHBondContact O-OG1 2.86Å; S91-Q200 PolarHBondContact O-NE2 2.99Å
92	T	81.9	Confident	83.6	Confident	31 Å²	31	56.1 Å²	56.1	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-42.9	178.8	-56	0	0	0	0	112.3	L87 N88 S94 T95 L96	L87-T92 HydrophobicContact CD1-CG2 4.26Å; N88-T92 WeakPolarHBondContact O-CB 3.46Å; N88-T92 PolarHBondContact O-N 3.25Å; N88-T92 PolarHBondContact O-OG1 3.37Å; T92-S94 VanDerWaalsContact C-N 3.34Å; T92-S94 PolarHBondContact O-N 2.51Å; T92-T95 WeakPolarHBondContact O-CB 2.96Å; T92-T95 PolarHBondContact O-N 2.65Å; T92-T95 VanDerWaalsContact O-N 3.16Å; T92-L96 HydrophobicContact CG2-CD1 4.39Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 3.4Å
93	V	87	Confident	84.3	Confident	69 Å²	69	55.1 Å²	55.1	42%	0.418	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-45.9	175.7	166.7	0	0	0	0	110.6	L89 I90 S91 T95 L96 I97	L89-V93 HydrophobicContact CD1-CG2 4.09Å; L89-V93 HydrophobicContact CG-CG2 4.41Å; L89-V93 WeakPolarHBondContact O-CB 2.95Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 2.8Å; I90-V93 PolarHBondContact O-N 2.87Å; S91-V93 PolarHBondContact O-N 3.11Å; V93-T95 VanDerWaalsContact C-N 3.27Å; V93-T95 PolarHBondContact O-N 3.14Å; V93-L96 PolarHBondContact O-N 2.9Å; V93-I97 HydrophobicContact CG1-CD1 3.91Å; V93-I97 HydrophobicContact CG1-CG1 4.5Å; V93-I97 VanDerWaalsContact O-CG1 3.32Å; V93-I97 WeakPolarHBondContact O-CG1 3.3Å; V93-I97 PolarHBondContact O-N 2.91Å
94	S	88.5	Confident	85.1	Confident	17 Å²	17	49.1 Å²	49.1	12%	0.119	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-36.1	176	165.9	0	0	0	0	112.1	I90 S91 T92 I97 H98 Q200 A204	I90-S94 PolarHBondContact O-N 3.29Å; S91-S94 PolarHBondContact O-N 2.92Å; T92-S94 VanDerWaalsContact C-N 3.34Å; T92-S94 PolarHBondContact O-N 2.51Å; S94-I97 PolarHBondContact O-N 3.1Å; S94-H98 PolarHBondContact O-N 3.14Å; S94-Q200 PolarHBondContact OG-NE2 2.92Å; S94-A204 WeakPolarHBondContact OG-CB 3Å
95	T	89	Confident	86.2	Confident	14 Å²	14	42.6 Å²	42.6	9%	0.086	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-45.2	178	-45.8	0	0	0	0	109.3	L55 A56 S91 T92 V93 I97 H98 E99 Q200	L55-T95 HydrophobicContact CB-CG2 4.35Å; A56-T95 HydrophobicContact CB-CG2 4.18Å; S91-T95 PolarHBondContact O-N 3.44Å; S91-T95 PolarHBondContact O-OG1 2.86Å; T92-T95 WeakPolarHBondContact O-CB 2.96Å; T92-T95 PolarHBondContact O-N 2.65Å; T92-T95 VanDerWaalsContact O-N 3.16Å; V93-T95 VanDerWaalsContact C-N 3.27Å; V93-T95 PolarHBondContact O-N 3.14Å; T95-I97 VanDerWaalsContact C-N 3.31Å; T95-I97 PolarHBondContact O-N 2.04Å; T95-H98 VanDerWaalsContact O-CB 3.31Å; T95-H98 WeakPolarHBondContact O-CB 3.25Å; T95-H98 PolarHBondContact O-N 3.01Å; T95-H98 VanDerWaalsContact O-N 3.17Å; T95-E99 WeakPolarHBondContact O-CG 3Å; T95-E99 PolarHBondContact O-N 2.84Å; T95-Q200 VanDerWaalsContact OG1-CD 3.28Å; T95-Q200 PolarHBondContact OG1-NE2 2.83Å; T95-Q200 VanDerWaalsContact OG1-NE2 3.08Å; T95-Q200 PolarHBondContact OG1-OE1 2.94Å
96	L	91.9	Very high	87.4	Confident	41 Å²	41	38.2 Å²	38.2	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-38.5	177.9	-67.7	174.2	0	0	0	112.1	V75 I77 T92 V93 E99 I100	V75-L96 HydrophobicContact CG1-CD2 4Å; I77-L96 HydrophobicContact CD1-CD2 3.81Å; I77-L96 HydrophobicContact CG1-CD2 3.95Å; T92-L96 HydrophobicContact CG2-CD1 4.39Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 3.4Å; V93-L96 PolarHBondContact O-N 2.9Å; L96-E99 PolarHBondContact O-N 2.74Å; L96-I100 WeakPolarHBondContact O-CB 3.43Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 WeakPolarHBondContact O-CG1 3.4Å; L96-I100 PolarHBondContact O-N 2.03Å
97	I	94.4	Very high	88.6	Confident	73 Å²	73	37.3 Å²	37.3	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-63.7	-43.2	175.1	-64.5	167.5	0	0	0	110.4	V93 S94 T95 I100 M101 L195	V93-I97 HydrophobicContact CG1-CD1 3.91Å; V93-I97 HydrophobicContact CG1-CG1 4.5Å; V93-I97 VanDerWaalsContact O-CG1 3.32Å; V93-I97 WeakPolarHBondContact O-CG1 3.3Å; V93-I97 PolarHBondContact O-N 2.91Å; S94-I97 PolarHBondContact O-N 3.1Å; T95-I97 VanDerWaalsContact C-N 3.31Å; T95-I97 PolarHBondContact O-N 2.04Å; I97-I100 PolarHBondContact O-N 3.32Å; I97-M101 HydrophobicContact CG2-CE 4.38Å; I97-M101 WeakPolarHBondContact O-CG 3.42Å; I97-M101 PolarHBondContact O-N 2.63Å; I97-L195 HydrophobicContact CB-CD1 4.43Å; I97-L195 HydrophobicContact CG2-CD1 4.17Å; I97-L195 HydrophobicContact CG2-CD2 3.78Å
98	H	95.2	Very high	89.7	Confident	16 Å²	16	31.7 Å²	31.7	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-56.8	-49.3	174.1	176	109.5	0	0	0	111.6	S94 T95 I100 M101 H102 H185 L195 M196 T197	S94-H98 PolarHBondContact O-N 3.14Å; T95-H98 VanDerWaalsContact O-CB 3.31Å; T95-H98 WeakPolarHBondContact O-CB 3.25Å; T95-H98 PolarHBondContact O-N 3.01Å; T95-H98 VanDerWaalsContact O-N 3.17Å; H98-I100 PolarHBondContact O-N 3.4Å; H98-M101 WeakPolarHBondContact O-CB 3.31Å; H98-M101 PolarHBondContact O-N 3.34Å; H98-H102 AromaticContact CD2-CD2 3.89Å; H98-H102 AromaticContact CD2-NE2 3.59Å; H98-H102 AromaticContact NE2-NE2 3.25Å; H98-H102 PolarHBondContact NE2-NE2 2.99Å; H98-H102 PolarHBondContact O-N 2.93Å; H98-H185 AromaticContact CE1-CD2 3.47Å; H98-H185 PolarHBondContact CE1-CD2 3.38Å; H98-H185 VanDerWaalsContact CE1-CD2 3.47Å; H98-H185 AromaticContact CE1-NE2 3.63Å; H98-H185 AromaticContact NE2-CD2 3.63Å; H98-H185 AromaticContact NE2-NE2 3.29Å; H98-H185 PolarHBondContact NE2-NE2 2.98Å; H98-L195 HydrophobicContact CB-CD1 4.15Å; H98-L195 PolarHBondContact ND1-O 3.35Å; H98-M196 HydrophobicContact CB-SD 4.41Å; H98-T197 PolarHBondContact CE1-O 3.46Å
99	E	94.9	Very high	90.5	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-41.9	177.5	-67.6	-39.3	142.1	0	0	112.7	A56 H57 A58 V75 T95 L96 M101 H102 I103	A56-E99 HydrophobicContact CB-CG 3.64Å; H57-E99 WeakPolarHBondContact CA-OE2 3.04Å; A58-E99 HydrophobicContact CB-CB 3.62Å; A58-E99 HydrophobicContact CB-CG 4.38Å; A58-E99 WeakPolarHBondContact CB-O 3.39Å; A58-E99 PolarHBondContact N-OE2 3.41Å; V75-E99 HydrophobicContact CG1-CB 4.12Å; V75-E99 HydrophobicContact CG1-CG 4.46Å; T95-E99 WeakPolarHBondContact O-CG 3Å; T95-E99 PolarHBondContact O-N 2.84Å; L96-E99 PolarHBondContact O-N 2.74Å; E99-M101 PolarHBondContact O-N 2.04Å; E99-H102 WeakPolarHBondContact O-CB 3.01Å; E99-H102 PolarHBondContact O-N 3.15Å; E99-H102 VanDerWaalsContact O-N 3.1Å; E99-H102 IonicContact OE2-CD2 3.14Å; E99-I103 PolarHBondContact O-N 3.42Å
100	I	96.3	Very high	91.3	Very high	43 Å²	43	34.7 Å²	34.7	22%	0.221	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-33.5	176	-69.6	167	0	0	0	110.9	I38 M40 V75 L96 I97 H98 H102 I103 L104	I38-I100 HydrophobicContact CD1-CD1 4.37Å; I38-I100 HydrophobicContact CD1-CG1 4.1Å; I38-I100 HydrophobicContact CD1-CG2 4.12Å; M40-I100 HydrophobicContact CE-CD1 4.44Å; V75-I100 HydrophobicContact CG2-CG1 4.33Å; L96-I100 WeakPolarHBondContact O-CB 3.43Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 WeakPolarHBondContact O-CG1 3.4Å; L96-I100 PolarHBondContact O-N 2.03Å; I97-I100 PolarHBondContact O-N 3.32Å; H98-I100 PolarHBondContact O-N 3.4Å; I100-H102 VanDerWaalsContact C-N 3.31Å; I100-H102 PolarHBondContact O-N 2.84Å; I100-I103 WeakPolarHBondContact O-CA 3.17Å; I100-I103 WeakPolarHBondContact O-CB 3.32Å; I100-I103 PolarHBondContact O-N 3.38Å; I100-I103 VanDerWaalsContact O-N 3.09Å; I100-L104 HydrophobicContact CG2-CD1 3.89Å; I100-L104 HydrophobicContact CG2-CG 4.07Å; I100-L104 WeakPolarHBondContact O-CG 3.29Å; I100-L104 PolarHBondContact O-N 2.79Å
101	M	97.2	Very high	92.2	Very high	19 Å²	19	31.2 Å²	31.2	9%	0.094	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-31.5	176	-70.3	-63.4	148	0	0	113.1	I97 H98 E99 I103 L104 V105 F106 L195 M196 F206 T210 L214	I97-M101 HydrophobicContact CG2-CE 4.38Å; I97-M101 WeakPolarHBondContact O-CG 3.42Å; I97-M101 PolarHBondContact O-N 2.63Å; H98-M101 WeakPolarHBondContact O-CB 3.31Å; H98-M101 PolarHBondContact O-N 3.34Å; E99-M101 PolarHBondContact O-N 2.04Å; M101-I103 VanDerWaalsContact C-N 3.28Å; M101-I103 PolarHBondContact O-N 2.91Å; M101-L104 HydrophobicContact CE-CD1 4.06Å; M101-L104 PolarHBondContact O-N 3.36Å; M101-L104 HydrophobicContact SD-CD1 4.15Å; M101-V105 PolarHBondContact O-N 2.81Å; M101-F106 PolarHBondContact O-N 3.03Å; M101-L195 HydrophobicContact CG-CD2 4.02Å; M101-M196 HydrophobicContact CB-CE 3.93Å; M101-M196 HydrophobicContact CB-CG 4.27Å; M101-M196 HydrophobicContact CB-SD 3.32Å; M101-M196 WeakPolarHBondContact CB-SD 2.98Å; M101-M196 HydrophobicContact CG-SD 3.84Å; M101-F206 HydrophobicContact CE-CD2 4.35Å; M101-F206 HydrophobicContact CE-CE2 3.97Å; M101-F206 HydrophobicContact SD-CE2 4.24Å; M101-T210 HydrophobicContact CG-CG2 4.4Å; M101-T210 HydrophobicContact SD-CG2 4.15Å; M101-L214 HydrophobicContact CE-CD1 4.28Å; M101-L214 HydrophobicContact SD-CD1 3.93Å; M101-L214 HydrophobicContact SD-CD2 4.34Å; M101-L214 HydrophobicContact SD-CG 4.4Å
102	H	95.6	Very high	93.1	Very high	14 Å²	14	30 Å²	30	7%	0.065	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-37.1	170.7	-70.7	-59.6	0	0	0	111.9	H98 E99 I100 F106 S107 S184 H185	H98-H102 AromaticContact CD2-CD2 3.89Å; H98-H102 AromaticContact CD2-NE2 3.59Å; H98-H102 AromaticContact NE2-NE2 3.25Å; H98-H102 PolarHBondContact NE2-NE2 2.99Å; H98-H102 PolarHBondContact O-N 2.93Å; E99-H102 WeakPolarHBondContact O-CB 3.01Å; E99-H102 PolarHBondContact O-N 3.15Å; E99-H102 VanDerWaalsContact O-N 3.1Å; E99-H102 IonicContact OE2-CD2 3.14Å; I100-H102 VanDerWaalsContact C-N 3.31Å; I100-H102 PolarHBondContact O-N 2.84Å; H102-F106 PolarHBondContact ND1-O 2.9Å; H102-S107 PolarHBondContact O-OG 3.31Å; H102-S184 PolarHBondContact CE1-O 3.42Å; H102-S184 VanDerWaalsContact CE1-O 3.24Å; H102-H185 AromaticContact CE1-CD2 3.84Å; H102-H185 AromaticContact CE1-NE2 3.41Å; H102-H185 PolarHBondContact CE1-NE2 2.64Å; H102-H185 AromaticContact NE2-CD2 3.99Å; H102-H185 AromaticContact NE2-NE2 3.3Å; H102-H185 PolarHBondContact NE2-NE2 3.31Å
103	I	96.8	Very high	93.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-46.4	173.1	-60.9	171.2	0	0	0	110.5	L36 I38 A58 P70 V75 E99 I100 M101	L36-I103 HydrophobicContact CD1-CG2 4.13Å; L36-I103 HydrophobicContact CD2-CG2 4.4Å; I38-I103 HydrophobicContact CG1-CD1 4.47Å; I38-I103 HydrophobicContact CG2-CD1 3.95Å; A58-I103 HydrophobicContact CB-CD1 4.09Å; A58-I103 HydrophobicContact CB-CG1 3.98Å; P70-I103 HydrophobicContact CB-CG2 4.49Å; P70-I103 WeakPolarHBondContact CB-O 3.44Å; P70-I103 WeakPolarHBondContact CG-O 3.44Å; V75-I103 HydrophobicContact CG2-CD1 3.62Å; E99-I103 PolarHBondContact O-N 3.42Å; I100-I103 WeakPolarHBondContact O-CA 3.17Å; I100-I103 WeakPolarHBondContact O-CB 3.32Å; I100-I103 PolarHBondContact O-N 3.38Å; I100-I103 VanDerWaalsContact O-N 3.09Å; M101-I103 VanDerWaalsContact C-N 3.28Å; M101-I103 PolarHBondContact O-N 2.91Å
104	L	97.6	Very high	94.1	Very high	26 Å²	26	35.1 Å²	35.1	14%	0.136	17%	0.172	C	C	.	.	H	α-helix	trans	-72.7	-49.4	-170.7	-67.4	177.3	0	0	0	112.8	L36 I100 M101 L214 Y220	L36-L104 HydrophobicContact CD2-CD2 3.53Å; I100-L104 HydrophobicContact CG2-CD1 3.89Å; I100-L104 HydrophobicContact CG2-CG 4.07Å; I100-L104 WeakPolarHBondContact O-CG 3.29Å; I100-L104 PolarHBondContact O-N 2.79Å; M101-L104 HydrophobicContact CE-CD1 4.06Å; M101-L104 PolarHBondContact O-N 3.36Å; M101-L104 HydrophobicContact SD-CD1 4.15Å; L104-L214 HydrophobicContact CB-CD2 4.09Å; L104-L214 HydrophobicContact CD1-CD2 4.25Å; L104-Y220 HydrophobicContact CB-CE2 4.13Å; L104-Y220 HydrophobicContact CD2-CE1 4.05Å; L104-Y220 HydrophobicContact CD2-CE2 4.47Å; L104-Y220 WeakPolarHBondContact CD2-OH 3.4Å; L104-Y220 WeakPolarHBondContact O-CE2 3.3Å; L104-Y220 PolarHBondContact O-OH 3.38Å
105	V	97.1	Very high	94.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.8	-30.5	-172.6	-73.4	0	0	0	0	115.3	M101 S107 F112 F115 L213 L214 W219 Y220	M101-V105 PolarHBondContact O-N 2.81Å; V105-S107 VanDerWaalsContact C-N 3.32Å; V105-S107 PolarHBondContact O-N 3.01Å; V105-S107 VanDerWaalsContact O-N 3.13Å; V105-F112 VanDerWaalsContact O-CE1 3.22Å; V105-F112 WeakPolarHBondContact O-CE1 3.31Å; V105-F115 HydrophobicContact CB-CZ 4.2Å; V105-F115 HydrophobicContact CG1-CZ 4.42Å; V105-L213 HydrophobicContact CB-CD2 4.33Å; V105-L213 HydrophobicContact CB-CG 4.31Å; V105-L213 HydrophobicContact CG2-CD2 3.95Å; V105-L213 HydrophobicContact CG2-CG 4.16Å; V105-L214 HydrophobicContact CB-CD2 4.47Å; V105-L214 HydrophobicContact CG1-CD2 3.84Å; V105-L214 HydrophobicContact CG1-CG 4.42Å; V105-L214 HydrophobicContact CG2-CD2 3.8Å; V105-L214 HydrophobicContact CG2-CG 3.92Å; V105-W219 HydrophobicContact CG1-CE3 4.24Å; V105-W219 HydrophobicContact CG1-CZ3 4.43Å; V105-Y220 HydrophobicContact CG1-CD2 3.93Å; V105-Y220 HydrophobicContact CG1-CE2 3.7Å
106	F	95.7	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.			trans	-94.2	52	-167.3	-142.7	-41.5	0	0	0	113	M101 H102 P108 F112 L173 S184 W186 M196 L213	M101-F106 PolarHBondContact O-N 3.03Å; H102-F106 PolarHBondContact ND1-O 2.9Å; F106-P108 HydrophobicContact CD1-CG 4.26Å; F106-P108 HydrophobicContact CE1-CG 4.3Å; F106-F112 HydrophobicContact CD1-CE1 4.48Å; F106-F112 AromaticContact CD1-CZ 3.95Å; F106-F112 HydrophobicContact CD1-CZ 3.95Å; F106-F112 AromaticContact CE1-CZ 3.96Å; F106-F112 HydrophobicContact CE1-CZ 3.96Å; F106-L173 HydrophobicContact CE1-CD2 3.85Å; F106-L173 HydrophobicContact CZ-CD2 3.72Å; F106-S184 WeakPolarHBondContact CD1-O 3.48Å; F106-S184 WeakPolarHBondContact CE1-O 3.47Å; F106-W186 HydrophobicContact CD2-CZ2 4.43Å; F106-W186 AromaticContact CE2-CD1 3.97Å; F106-W186 AromaticContact CE2-CD2 3.57Å; F106-W186 HydrophobicContact CE2-CD2 3.57Å; F106-W186 AromaticContact CE2-CE2 3.35Å; F106-W186 HydrophobicContact CE2-CE3 4.09Å; F106-W186 AromaticContact CE2-CG 3.94Å; F106-W186 HydrophobicContact CE2-CG 3.94Å; F106-W186 HydrophobicContact CE2-CH2 4.17Å; F106-W186 AromaticContact CE2-CZ2 3.68Å; F106-W186 HydrophobicContact CE2-CZ2 3.68Å; F106-W186 HydrophobicContact CE2-CZ3 4.35Å; F106-W186 AromaticContact CE2-NE1 3.62Å; F106-W186 AromaticContact CZ-CD2 3.78Å; F106-W186 HydrophobicContact CZ-CD2 3.78Å; F106-W186 AromaticContact CZ-CE2 3.99Å; F106-W186 AromaticContact CZ-CE3 3.86Å; F106-W186 HydrophobicContact CZ-CE3 3.86Å; F106-W186 HydrophobicContact CZ-CG 4.28Å; F106-W186 HydrophobicContact CZ-CH2 4.29Å; F106-W186 HydrophobicContact CZ-CZ2 4.24Å; F106-W186 HydrophobicContact CZ-CZ3 4.1Å; F106-M196 HydrophobicContact CB-CE 3.83Å; F106-M196 HydrophobicContact CD2-CB 3.83Å; F106-M196 HydrophobicContact CD2-CE 3.81Å; F106-M196 HydrophobicContact CD2-CG 3.9Å; F106-M196 HydrophobicContact CE2-CB 3.79Å; F106-M196 HydrophobicContact CE2-CG 4.35Å; F106-M196 HydrophobicContact CG-CE 3.95Å; F106-L213 HydrophobicContact CB-CD2 4.32Å; F106-L213 HydrophobicContact CD2-CD2 3.62Å; F106-L213 HydrophobicContact CE2-CD2 4.06Å; F106-L213 HydrophobicContact CG-CD2 3.97Å
107	S	93.1	Very high	94.8	Very high	14 Å²	14	36.3 Å²	36.3	10%	0.098	17%	0.172	C	C	.	.			trans	-121.6	83.8	167.7	-71.4	0	0	0	0	107.7	P60 H102 V105 E109 I110 L111	P60-S107 VanDerWaalsContact CD-OG 3.27Å; P60-S107 WeakPolarHBondContact CD-OG 3.49Å; H102-S107 PolarHBondContact O-OG 3.31Å; V105-S107 VanDerWaalsContact C-N 3.32Å; V105-S107 PolarHBondContact O-N 3.01Å; V105-S107 VanDerWaalsContact O-N 3.13Å; S107-E109 VanDerWaalsContact C-N 3.33Å; S107-E109 PolarHBondContact O-N 3.28Å; S107-I110 CarbonylContact O-C 3.54Å; S107-I110 PolarHBondContact O-N 3.13Å; S107-L111 WeakPolarHBondContact O-CB 3.13Å; S107-L111 PolarHBondContact O-N 3.19Å
108	P	91.4	Very high	94.5	Very high	10 Å²	10	41 Å²	41	7%	0.065	19%	0.192	C	C	.	.	H	α-helix	trans	-53.4	-45.6	-165.6	-23.6	28.3	0	0	0	114	F106 I110 F112 I128 K183	F106-P108 HydrophobicContact CD1-CG 4.26Å; F106-P108 HydrophobicContact CE1-CG 4.3Å; P108-I110 VanDerWaalsContact C-N 3.27Å; P108-I110 PolarHBondContact O-N 2.79Å; P108-F112 HydrophobicContact CB-CD2 3.71Å; P108-F112 HydrophobicContact CB-CE2 3.77Å; P108-F112 HydrophobicContact CB-CG 4.1Å; P108-F112 HydrophobicContact CB-CZ 4.25Å; P108-F112 HydrophobicContact CG-CD2 4.32Å; P108-F112 HydrophobicContact CG-CE2 3.87Å; P108-F112 HydrophobicContact CG-CZ 3.99Å; P108-F112 WeakPolarHBondContact O-CB 3.42Å; P108-F112 PolarHBondContact O-N 3.43Å; P108-I128 HydrophobicContact CB-CD1 4.49Å; P108-K183 WeakPolarHBondContact CG-O 3.28Å
109	E	88.8	Confident	94.3	Very high	164 Å²	164	44.8 Å²	44.8	77%	0.766	22%	0.217	S	C	*	.	H	α-helix	trans	-64.4	-32	-178.8	-58.1	-172.4	163.6	0	0	112.8	S107	S107-E109 VanDerWaalsContact C-N 3.33Å; S107-E109 PolarHBondContact O-N 3.28Å
110	I	92.1	Very high	94.1	Very high	59 Å²	59	45.8 Å²	45.8	30%	0.303	23%	0.231	S	C	.	.	H	α-helix	trans	-95.4	-34.9	-176.4	-55	173.5	0	0	0	111.3	P60 L63 S107 P108 R114	P60-I110 HydrophobicContact CG-CB 4.35Å; P60-I110 HydrophobicContact CG-CD1 4.11Å; P60-I110 HydrophobicContact CG-CG2 3.97Å; L63-I110 HydrophobicContact CD1-CG2 4.17Å; S107-I110 CarbonylContact O-C 3.54Å; S107-I110 PolarHBondContact O-N 3.13Å; P108-I110 VanDerWaalsContact C-N 3.27Å; P108-I110 PolarHBondContact O-N 2.79Å; I110-R114 VanDerWaalsContact O-CD 3.24Å; I110-R114 WeakPolarHBondContact O-CD 3.31Å; I110-R114 VanDerWaalsContact O-CZ 3.3Å; I110-R114 PolarHBondContact O-NH1 3.22Å
111	L	95.8	Very high	93.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-113.7	-40	-163.4	-60.1	-179.2	0	0	0	114	P60 L63 P70 S107 E113 R114 F115 W219	P60-L111 HydrophobicContact CG-CD1 4.11Å; P60-L111 HydrophobicContact CG-CD2 4.11Å; P60-L111 HydrophobicContact CG-CG 4.18Å; L63-L111 HydrophobicContact CD1-CD2 4.31Å; L63-L111 HydrophobicContact CD2-CD2 3.67Å; P70-L111 HydrophobicContact CG-CD1 4.12Å; P70-L111 HydrophobicContact CG-CD2 3.76Å; S107-L111 WeakPolarHBondContact O-CB 3.13Å; S107-L111 PolarHBondContact O-N 3.19Å; L111-E113 VanDerWaalsContact C-N 3.33Å; L111-E113 PolarHBondContact O-N 2.92Å; L111-R114 WeakPolarHBondContact O-CA 3.27Å; L111-R114 WeakPolarHBondContact O-CB 3.39Å; L111-R114 PolarHBondContact O-N 3.03Å; L111-F115 HydrophobicContact CB-CE1 4.07Å; L111-F115 WeakPolarHBondContact O-CD1 3.28Å; L111-F115 PolarHBondContact O-N 2.84Å; L111-W219 HydrophobicContact CB-CH2 3.96Å; L111-W219 HydrophobicContact CB-CZ3 4.19Å; L111-W219 HydrophobicContact CD1-CZ3 4.27Å; L111-W219 HydrophobicContact CD2-CH2 3.76Å; L111-W219 HydrophobicContact CD2-CZ3 4.03Å; L111-W219 HydrophobicContact CG-CH2 4.33Å; L111-W219 HydrophobicContact CG-CZ3 4.39Å
112	F	95.6	Very high	93.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-63.7	-35.3	-167.3	-76.5	11.2	0	0	0	113.3	V105 F106 P108 R114 F115 V127 I128 V150 L173 L213	V105-F112 VanDerWaalsContact O-CE1 3.22Å; V105-F112 WeakPolarHBondContact O-CE1 3.31Å; F106-F112 HydrophobicContact CD1-CE1 4.48Å; F106-F112 AromaticContact CD1-CZ 3.95Å; F106-F112 HydrophobicContact CD1-CZ 3.95Å; F106-F112 AromaticContact CE1-CZ 3.96Å; F106-F112 HydrophobicContact CE1-CZ 3.96Å; P108-F112 HydrophobicContact CB-CD2 3.71Å; P108-F112 HydrophobicContact CB-CE2 3.77Å; P108-F112 HydrophobicContact CB-CG 4.1Å; P108-F112 HydrophobicContact CB-CZ 4.25Å; P108-F112 HydrophobicContact CG-CD2 4.32Å; P108-F112 HydrophobicContact CG-CE2 3.87Å; P108-F112 HydrophobicContact CG-CZ 3.99Å; P108-F112 WeakPolarHBondContact O-CB 3.42Å; P108-F112 PolarHBondContact O-N 3.43Å; F112-R114 PolarHBondContact O-N 2.94Å; F112-F115 AromaticContact CD1-CE1 3.95Å; F112-F115 HydrophobicContact CD1-CE1 3.95Å; F112-F115 HydrophobicContact CD1-CE2 4.02Å; F112-F115 AromaticContact CD1-CZ 3.53Å; F112-F115 HydrophobicContact CD1-CZ 3.53Å; F112-F115 HydrophobicContact CE1-CE2 4.37Å; F112-F115 AromaticContact CE1-CZ 3.86Å; F112-F115 HydrophobicContact CE1-CZ 3.86Å; F112-F115 HydrophobicContact CG-CZ 4.49Å; F112-F115 PolarHBondContact O-N 3.18Å; F112-V127 HydrophobicContact CB-CG2 3.64Å; F112-V127 HydrophobicContact CD2-CG2 4.3Å; F112-V127 HydrophobicContact CG-CG2 4.12Å; F112-V127 WeakPolarHBondContact O-CG2 3.39Å; F112-I128 HydrophobicContact CB-CD1 4.35Å; F112-I128 HydrophobicContact CB-CG1 4.46Å; F112-I128 HydrophobicContact CD2-CD1 3.63Å; F112-I128 HydrophobicContact CD2-CG1 3.65Å; F112-I128 HydrophobicContact CE2-CD1 4.43Å; F112-I128 HydrophobicContact CE2-CG1 4.43Å; F112-I128 HydrophobicContact CG-CD1 4.48Å; F112-V150 HydrophobicContact CD2-CG2 4.26Å; F112-V150 HydrophobicContact CE2-CG2 3.49Å; F112-V150 VanDerWaalsContact CE2-CG2 3.49Å; F112-V150 HydrophobicContact CZ-CG2 4.06Å; F112-L173 HydrophobicContact CE2-CD1 4.42Å; F112-L213 HydrophobicContact CE1-CD1 4.05Å; F112-L213 HydrophobicContact CE1-CD2 4.13Å; F112-L213 HydrophobicContact CZ-CD1 4.13Å; F112-L213 HydrophobicContact CZ-CD2 4.19Å
113	E	93.9	Very high	93.6	Very high	122 Å²	122	54.9 Å²	54.9	57%	0.57	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-72.3	-10.7	175.7	-62.8	-162.8	156.9	0	0	114.4	L111 K122	L111-E113 VanDerWaalsContact C-N 3.33Å; L111-E113 PolarHBondContact O-N 2.92Å; E113-K122 WeakPolarHBondContact O-CE 3.18Å; E113-K122 PolarHBondContact O-NZ 2.72Å
114	R	95.3	Very high	93.4	Very high	86 Å²	86	60.1 Å²	60.1	33%	0.325	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-105.1	-1.5	-177.4	-61.7	176.6	178.2	66.3	0.5	112.4	L63 Y68 I110 L111 F112 W219	L63-R114 VanDerWaalsContact CD1-CD 3.49Å; Y68-R114 HydrophobicContact CG-CB 4.26Å; Y68-R114 HydrophobicContact CG-CG 4.3Å; I110-R114 VanDerWaalsContact O-CD 3.24Å; I110-R114 WeakPolarHBondContact O-CD 3.31Å; I110-R114 VanDerWaalsContact O-CZ 3.3Å; I110-R114 PolarHBondContact O-NH1 3.22Å; L111-R114 WeakPolarHBondContact O-CA 3.27Å; L111-R114 WeakPolarHBondContact O-CB 3.39Å; L111-R114 PolarHBondContact O-N 3.03Å; F112-R114 PolarHBondContact O-N 2.94Å; R114-W219 HydrophobicContact CB-CZ2 4.27Å
115	F	96.9	Very high	93.2	Very high	1 Å²	1	66.2 Å²	66.2	0%	0.004	34%	0.341	C	S	.	.			trans	-58.7	145.8	174.4	-78.1	13.3	0	0	0	111.3	V105 L111 F112 Y123 V127 L213 D216 W219	V105-F115 HydrophobicContact CB-CZ 4.2Å; V105-F115 HydrophobicContact CG1-CZ 4.42Å; L111-F115 HydrophobicContact CB-CE1 4.07Å; L111-F115 WeakPolarHBondContact O-CD1 3.28Å; L111-F115 PolarHBondContact O-N 2.84Å; F112-F115 AromaticContact CD1-CE1 3.95Å; F112-F115 HydrophobicContact CD1-CE1 3.95Å; F112-F115 HydrophobicContact CD1-CE2 4.02Å; F112-F115 AromaticContact CD1-CZ 3.53Å; F112-F115 HydrophobicContact CD1-CZ 3.53Å; F112-F115 HydrophobicContact CE1-CE2 4.37Å; F112-F115 AromaticContact CE1-CZ 3.86Å; F112-F115 HydrophobicContact CE1-CZ 3.86Å; F112-F115 HydrophobicContact CG-CZ 4.49Å; F112-F115 PolarHBondContact O-N 3.18Å; F115-Y123 HydrophobicContact CB-CD2 3.92Å; F115-Y123 HydrophobicContact CB-CE2 3.97Å; F115-V127 HydrophobicContact CB-CG1 4.33Å; F115-V127 HydrophobicContact CD2-CG1 4.3Å; F115-V127 HydrophobicContact CD2-CG2 4.35Å; F115-L213 HydrophobicContact CE2-CD1 3.63Å; F115-L213 HydrophobicContact CE2-CG 4.31Å; F115-L213 HydrophobicContact CZ-CD1 4.03Å; F115-L213 HydrophobicContact CZ-CG 4.33Å; F115-D216 WeakPolarHBondContact CD2-O 3.2Å; F115-W219 AromaticContact CD1-CH2 3.89Å; F115-W219 HydrophobicContact CD1-CH2 3.89Å; F115-W219 HydrophobicContact CD1-CZ2 4.32Å; F115-W219 HydrophobicContact CD1-CZ3 4.2Å; F115-W219 AromaticContact CE1-CH2 3.96Å; F115-W219 HydrophobicContact CE1-CH2 3.96Å; F115-W219 AromaticContact CE1-CZ3 3.88Å; F115-W219 HydrophobicContact CE1-CZ3 3.88Å
116	R	94.9	Very high	93	Very high	54 Å²	54	69.3 Å²	69.3	20%	0.204	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-120.8	139.6	-177.7	-64.6	179.1	176.2	-78.4	0.1	110.1	K66 T67 Y68 G120 N121 Y123 S217 G218	K66-R116 PolarHBondContact O-NH2 3.35Å; T67-R116 PolarHBondContact O-NE 2.85Å; Y68-R116 VanDerWaalsContact CD2-NH2 3.25Å; R116-G120 WeakPolarHBondContact CD-O 3.09Å; R116-G120 PolarHBondContact NH1-O 3.19Å; R116-N121 CarbonylContact C-O 3.56Å; R116-N121 WeakPolarHBondContact CA-O 3.28Å; R116-Y123 VanDerWaalsContact C-CE2 3.48Å; R116-Y123 WeakPolarHBondContact O-CE2 3.22Å; R116-S217 PolarHBondContact N-O 3.38Å; R116-G218 VanDerWaalsContact O-CA 3.32Å; R116-G218 WeakPolarHBondContact O-CA 3.25Å; R116-G218 PolarHBondContact O-N 3.38Å
117	D	93.3	Very high	93	Very high	42 Å²	42	69.6 Å²	69.6	23%	0.225	36%	0.364	C	S	.	.			trans	-69.8	177	172.8	66.7	29.1	0	0	0	111.4	T119 G120 N121 Y123	D117-T119 PolarHBondContact O-N 3.38Å; D117-T119 WeakPolarHBondContact OD1-CA 3.4Å; D117-T119 WeakPolarHBondContact OD1-CB 3.44Å; D117-T119 PolarHBondContact OD1-N 2.95Å; D117-T119 PolarHBondContact OD1-OG1 3.32Å; D117-G120 PolarHBondContact O-N 2.79Å; D117-G120 PolarHBondContact OD1-N 3.04Å; D117-N121 PolarHBondContact N-O 3.25Å; D117-N121 PolarHBondContact OD1-N 2.87Å; D117-Y123 HydrophobicContact CB-CD1 4.34Å; D117-Y123 HydrophobicContact CB-CE1 4.06Å; D117-Y123 HydrophobicContact CB-CE2 4.47Å
118	E	87.7	Confident	93.2	Very high	171 Å²	171	70.7 Å²	70.7	80%	0.799	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.8	179.8	63.2	-167.4	-177.9	0	0	114.7
119	T	90.8	Very high	93.4	Very high	96 Å²	96	71.9 Å²	71.9	59%	0.589	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.1	175	71.8	0	0	0	0	112.8	D117 N121	D117-T119 PolarHBondContact O-N 3.38Å; D117-T119 WeakPolarHBondContact OD1-CA 3.4Å; D117-T119 WeakPolarHBondContact OD1-CB 3.44Å; D117-T119 PolarHBondContact OD1-N 2.95Å; D117-T119 PolarHBondContact OD1-OG1 3.32Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact OG1-ND2 2.89Å
120	G	90.3	Very high	93.7	Very high	36 Å²	36	68.8 Å²	68.8	37%	0.371	36%	0.361	S	S	.	.	S	Bend	trans	83.5	4	-177	0	0	0	0	0	114.1	R116 D117	R116-G120 WeakPolarHBondContact CD-O 3.09Å; R116-G120 PolarHBondContact NH1-O 3.19Å; D117-G120 PolarHBondContact O-N 2.79Å; D117-G120 PolarHBondContact OD1-N 3.04Å
121	N	92.9	Very high	94	Very high	98 Å²	98	67.6 Å²	67.6	52%	0.524	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-86.2	152.9	179.6	-69.8	-53.6	0	0	0	111	R116 D117 T119 Y123	R116-N121 CarbonylContact C-O 3.56Å; R116-N121 WeakPolarHBondContact CA-O 3.28Å; D117-N121 PolarHBondContact N-O 3.25Å; D117-N121 PolarHBondContact OD1-N 2.87Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact OG1-ND2 2.89Å; N121-Y123 PolarHBondContact O-N 3.25Å
122	K	93.3	Very high	94	Very high	130 Å²	130	75 Å²	75	57%	0.565	39%	0.385	S	S	*	.	B	Isolated β-bridge	trans	-63	136.6	171	177.2	171.3	174	158.8	0	108.7	E113 A124	E113-K122 WeakPolarHBondContact O-CE 3.18Å; E113-K122 PolarHBondContact O-NZ 2.72Å; K122-A124 PolarHBondContact O-N 2.89Å
123	Y	93.5	Very high	93.8	Very high	39 Å²	39	75.7 Å²	75.7	15%	0.153	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-52.4	130.1	175.2	-79.3	-85.6	0	0	0	111.6	F115 R116 D117 N121 K125 V127 P153 D216	F115-Y123 HydrophobicContact CB-CD2 3.92Å; F115-Y123 HydrophobicContact CB-CE2 3.97Å; R116-Y123 VanDerWaalsContact C-CE2 3.48Å; R116-Y123 WeakPolarHBondContact O-CE2 3.22Å; D117-Y123 HydrophobicContact CB-CD1 4.34Å; D117-Y123 HydrophobicContact CB-CE1 4.06Å; D117-Y123 HydrophobicContact CB-CE2 4.47Å; N121-Y123 PolarHBondContact O-N 3.25Å; Y123-K125 WeakPolarHBondContact CB-O 3.21Å; Y123-K125 PolarHBondContact O-N 2.95Å; Y123-K125 VanDerWaalsContact O-N 3.16Å; Y123-V127 HydrophobicContact CD2-CG1 3.73Å; Y123-V127 HydrophobicContact CE2-CG1 4.2Å; Y123-V127 HydrophobicContact CG-CG1 3.93Å; Y123-P153 HydrophobicContact CE1-CG 3.92Å; Y123-D216 VanDerWaalsContact CE2-O 3.3Å; Y123-D216 WeakPolarHBondContact CE2-O 3.47Å; Y123-D216 PolarHBondContact OH-O 3.17Å
124	A	91.8	Very high	93.8	Very high	110 Å²	110	71.5 Å²	71.5	91%	0.909	38%	0.377	S	S	*	.	S	Bend	trans	-61.7	-22.9	-179.8	0	0	0	0	0	113.9	K122	K122-A124 PolarHBondContact O-N 2.89Å
125	K	92.3	Very high	93.6	Very high	155 Å²	155	67.9 Å²	67.9	67%	0.674	36%	0.363	S	S	*	.	S	Bend	trans	-126	149	174.8	-63.9	-177.6	179.8	177.7	0	108.6	Y123 V127	Y123-K125 WeakPolarHBondContact CB-O 3.21Å; Y123-K125 PolarHBondContact O-N 2.95Å; Y123-K125 VanDerWaalsContact O-N 3.16Å; K125-V127 PolarHBondContact O-N 3.37Å
126	S	93.7	Very high	93.5	Very high	64 Å²	64	69.2 Å²	69.2	45%	0.448	37%	0.369	S	S	.	.			trans	-51.4	134.9	172.7	179.5	0	0	0	0	110.4	I128 R151	S126-I128 PolarHBondContact O-N 2.81Å; S126-I128 PolarHBondContact OG-N 2.81Å; S126-I128 PolarHBondContact OG-O 2.89Å; S126-R151 VanDerWaalsContact O-CZ 3.28Å; S126-R151 PolarHBondContact O-NE 2.92Å; S126-R151 PolarHBondContact O-NH2 2.75Å
127	V	96.4	Very high	93	Very high	6 Å²	6	69.9 Å²	69.9	4%	0.036	37%	0.372	C	S	.	.	S	Bend	trans	-68.6	-14.2	174.7	-60.5	0	0	0	0	111.6	F112 F115 Y123 K125 V150 R151	F112-V127 HydrophobicContact CB-CG2 3.64Å; F112-V127 HydrophobicContact CD2-CG2 4.3Å; F112-V127 HydrophobicContact CG-CG2 4.12Å; F112-V127 WeakPolarHBondContact O-CG2 3.39Å; F115-V127 HydrophobicContact CB-CG1 4.33Å; F115-V127 HydrophobicContact CD2-CG1 4.3Å; F115-V127 HydrophobicContact CD2-CG2 4.35Å; Y123-V127 HydrophobicContact CD2-CG1 3.73Å; Y123-V127 HydrophobicContact CE2-CG1 4.2Å; Y123-V127 HydrophobicContact CG-CG1 3.93Å; K125-V127 PolarHBondContact O-N 3.37Å; V127-V150 CarbonylContact O-C 3.57Å; V127-V150 WeakPolarHBondContact O-CA 3.22Å; V127-R151 WeakPolarHBondContact O-CG 3.34Å; V127-R151 PolarHBondContact O-N 2.69Å
128	I	96.1	Very high	92.4	Very high	38 Å²	38	68 Å²	68	20%	0.195	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.3	171.8	-53.4	178.8	0	0	0	109.8	P108 F112 S126 M148 F149	P108-I128 HydrophobicContact CB-CD1 4.49Å; F112-I128 HydrophobicContact CB-CD1 4.35Å; F112-I128 HydrophobicContact CB-CG1 4.46Å; F112-I128 HydrophobicContact CD2-CD1 3.63Å; F112-I128 HydrophobicContact CD2-CG1 3.65Å; F112-I128 HydrophobicContact CE2-CD1 4.43Å; F112-I128 HydrophobicContact CE2-CG1 4.43Å; F112-I128 HydrophobicContact CG-CD1 4.48Å; S126-I128 PolarHBondContact O-N 2.81Å; S126-I128 PolarHBondContact OG-N 2.81Å; S126-I128 PolarHBondContact OG-O 2.89Å; I128-M148 HydrophobicContact CG2-CE 3.35Å; I128-F149 CarbonylContact C-O 3.28Å; I128-F149 VanDerWaalsContact CA-O 3.25Å; I128-F149 WeakPolarHBondContact CA-O 3.48Å
129	T	96.2	Very high	91.9	Very high	34 Å²	34	60.9 Å²	60.9	21%	0.209	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.4	166.8	-165.9	0	0	0	0	110.6	V131 F149 R151	T129-V131 HydrophobicContact CG2-CG2 4.41Å; T129-F149 HydrophobicContact CG2-CB 4Å; T129-F149 PolarHBondContact N-O 3.06Å; T129-F149 PolarHBondContact O-N 3.33Å; T129-R151 HydrophobicContact CG2-CB 3.96Å; T129-R151 HydrophobicContact CG2-CG 3.94Å
130	E	96.3	Very high	91.6	Very high	99 Å²	99	63.3 Å²	63.3	46%	0.463	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.2	170	-168.9	179.1	91	0	0	109.7	E146 I147 M148	E130-E146 HydrophobicContact CG-CB 4.2Å; E130-E146 HydrophobicContact CG-CG 4.45Å; E130-I147 CarbonylContact C-O 3.46Å; E130-I147 WeakPolarHBondContact CA-O 3.33Å; E130-M148 HydrophobicContact CB-CE 4.4Å; E130-M148 HydrophobicContact CB-SD 3.48Å; E130-M148 WeakPolarHBondContact CB-SD 3.49Å; E130-M148 HydrophobicContact CG-SD 3.59Å; E130-M148 VanDerWaalsContact CG-SD 3.59Å
131	V	96.5	Very high	91.4	Very high	35 Å²	35	62.7 Å²	62.7	21%	0.212	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.2	173.7	-176.8	0	0	0	0	109.1	T129 R133 I147 F149 E169	T129-V131 HydrophobicContact CG2-CG2 4.41Å; V131-R133 HydrophobicContact CG1-CG 4.21Å; V131-I147 PolarHBondContact N-O 3.32Å; V131-I147 PolarHBondContact O-N 2.94Å; V131-F149 HydrophobicContact CB-CD2 4.28Å; V131-F149 HydrophobicContact CB-CE2 3.87Å; V131-F149 HydrophobicContact CG2-CD2 3.93Å; V131-F149 HydrophobicContact CG2-CE2 3.96Å; V131-E169 HydrophobicContact CG2-CB 4.27Å; V131-E169 HydrophobicContact CG2-CG 4.05Å
132	R	95.9	Very high	91.3	Very high	155 Å²	155	63.5 Å²	63.5	59%	0.585	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.4	173.9	-62	-177.4	71.7	-178.5	4.1	110.2	M144 I145 E146	R132-M144 HydrophobicContact CB-CE 3.66Å; R132-I145 CarbonylContact C-O 3.2Å; R132-I145 VanDerWaalsContact CA-O 3.26Å; R132-I145 WeakPolarHBondContact CA-O 3.33Å; R132-E146 HydrophobicContact CG-CG 3.9Å
133	R	92.5	Very high	91.2	Very high	18 Å²	18	61.6 Å²	61.6	7%	0.068	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.4	178.5	-65.9	-169	-178.1	158.6	-4.7	112.5	V131 M144 I145 I147 E169	V131-R133 HydrophobicContact CG1-CG 4.21Å; R133-M144 VanDerWaalsContact C-CE 3.45Å; R133-M144 WeakPolarHBondContact O-CA 3.25Å; R133-I145 PolarHBondContact N-O 3.24Å; R133-I145 PolarHBondContact O-N 3.37Å; R133-I147 HydrophobicContact CB-CD1 3.87Å; R133-I147 HydrophobicContact CG-CD1 3.89Å; R133-E169 IonicContact CZ-OE1 2.83Å; R133-E169 IonicContact CZ-OE2 3.59Å; R133-E169 IonicContact NE-OE1 3.36Å; R133-E169 PolarHBondContact NE-OE1 3.34Å; R133-E169 IonicContact NH2-OE1 3.81Å; R133-E169 PolarHBondContact NH2-OE1 2.91Å; R133-E169 IonicContact NH2-OE2 3.99Å; R133-E169 PolarHBondContact NH2-OE2 2.74Å
134	G	92.9	Very high	91.2	Very high	34 Å²	34	64.7 Å²	64.7	35%	0.351	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129	169.3	0	0	0	0	0	110.2	R143	G134-R143 CarbonylContact C-O 3.52Å
135	W	92.1	Very high	91.2	Very high	10 Å²	10	59.9 Å²	59.9	4%	0.038	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.1	-177.1	-159.7	-107.4	0	0	0	109.8	Y137 F142 R143 I145 R189 S244 D332	W135-Y137 PolarHBondContact O-N 2.82Å; W135-F142 WeakPolarHBondContact O-CA 3.43Å; W135-R143 HydrophobicContact CB-CG 4Å; W135-R143 WeakPolarHBondContact CB-O 3.45Å; W135-R143 PolarHBondContact N-O 3.1Å; W135-R143 PolarHBondContact O-N 3.35Å; W135-I145 HydrophobicContact CB-CD1 4.1Å; W135-I145 HydrophobicContact CB-CG1 4.1Å; W135-I145 HydrophobicContact CB-CG2 3.85Å; W135-I145 HydrophobicContact CD2-CD1 3.48Å; W135-I145 VanDerWaalsContact CD2-CD1 3.48Å; W135-I145 HydrophobicContact CD2-CG1 4.38Å; W135-I145 HydrophobicContact CE3-CD1 3.35Å; W135-I145 HydrophobicContact CE3-CG1 4.2Å; W135-I145 HydrophobicContact CG-CD1 3.87Å; W135-I145 HydrophobicContact CG-CG1 4.41Å; W135-I145 HydrophobicContact CG-CG2 4.22Å; W135-I145 HydrophobicContact CH2-CD1 4.43Å; W135-I145 HydrophobicContact CZ3-CD1 3.87Å; W135-R189 VanDerWaalsContact CH2-CZ 3.45Å; W135-S244 VanDerWaalsContact CZ2-CA 3.48Å; W135-D332 HydrophobicContact CZ2-CB 4.43Å; W135-D332 WeakPolarHBondContact CZ2-OD2 3.29Å
136	K	93.5	Very high	91.3	Very high	30 Å²	30	57.9 Å²	57.9	13%	0.13	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.9	178.5	-167.8	179.9	-178.5	-175	0	110	G139 G141 F142 S244 R246 E247 D250	K136-G139 VanDerWaalsContact CE-O 3.27Å; K136-G139 WeakPolarHBondContact CE-O 3.36Å; K136-G141 WeakPolarHBondContact CA-O 3.39Å; K136-F142 HydrophobicContact CB-CD1 4.03Å; K136-F142 HydrophobicContact CB-CE1 3.59Å; K136-F142 HydrophobicContact CB-CZ 3.87Å; K136-F142 HydrophobicContact CD-CZ 4.16Å; K136-F142 HydrophobicContact CG-CE1 4.15Å; K136-F142 HydrophobicContact CG-CE2 4.22Å; K136-F142 HydrophobicContact CG-CZ 3.91Å; K136-S244 WeakPolarHBondContact O-CB 3.4Å; K136-S244 PolarHBondContact O-OG 3.49Å; K136-R246 HydrophobicContact CD-CG 4.21Å; K136-R246 HydrophobicContact CG-CG 4.35Å; K136-E247 HydrophobicContact CB-CB 3.92Å; K136-E247 HydrophobicContact CB-CG 4.42Å; K136-E247 HydrophobicContact CD-CB 4Å; K136-E247 HydrophobicContact CD-CG 4.07Å; K136-D250 IonicContact NZ-OD2 3.25Å; K136-D250 PolarHBondContact NZ-OD2 3.04Å
137	Y	85.3	Confident	91.4	Very high	68 Å²	68	54.9 Å²	54.9	27%	0.267	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.7	175.8	73.6	-82.6	0	0	0	113.8	W135 G139 G141 F142 R143 K301	W135-Y137 PolarHBondContact O-N 2.82Å; Y137-G139 PolarHBondContact O-N 3.46Å; Y137-G141 PolarHBondContact N-O 3.1Å; Y137-F142 VanDerWaalsContact CE1-C 3.43Å; Y137-R143 HydrophobicContact CD1-CB 4.15Å; Y137-R143 HydrophobicContact CD1-CG 4.01Å; Y137-R143 HydrophobicContact CE1-CB 3.98Å; Y137-R143 HydrophobicContact CE1-CG 4.35Å; Y137-K301 HydrophobicContact CD2-CD 4.45Å; Y137-K301 HydrophobicContact CD2-CG 4.13Å; Y137-K301 HydrophobicContact CE2-CD 4.2Å; Y137-K301 HydrophobicContact CE2-CG 4.35Å
138	G	80.5	Confident	91.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.01	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-122.3	179.9	0	0	0	0	0	112
139	G	78	Confident	91.5	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-123.8	173.8	0	0	0	0	0	111.8	K136 Y137 G141	K136-G139 VanDerWaalsContact CE-O 3.27Å; K136-G139 WeakPolarHBondContact CE-O 3.36Å; Y137-G139 PolarHBondContact O-N 3.46Å; G139-G141 PolarHBondContact O-N 3.23Å
140	D	83.5	Confident	91.5	Very high	147 Å²	147	53.3 Å²	53.3	79%	0.786	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	16.9	-179.6	-58.8	-44.2	0	0	0	113.8
141	G	86.4	Confident	91.6	Very high	24 Å²	24	51.9 Å²	51.9	25%	0.247	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	145.8	-178.5	0	0	0	0	0	112.7	K136 Y137 G139	K136-G141 WeakPolarHBondContact CA-O 3.39Å; Y137-G141 PolarHBondContact N-O 3.1Å; G139-G141 PolarHBondContact O-N 3.23Å
142	F	91.8	Very high	91.6	Very high	115 Å²	115	50.4 Å²	50.4	50%	0.504	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.1	170.4	-73.4	-98	0	0	0	110.1	W135 K136 Y137	W135-F142 WeakPolarHBondContact O-CA 3.43Å; K136-F142 HydrophobicContact CB-CD1 4.03Å; K136-F142 HydrophobicContact CB-CE1 3.59Å; K136-F142 HydrophobicContact CB-CZ 3.87Å; K136-F142 HydrophobicContact CD-CZ 4.16Å; K136-F142 HydrophobicContact CG-CE1 4.15Å; K136-F142 HydrophobicContact CG-CE2 4.22Å; K136-F142 HydrophobicContact CG-CZ 3.91Å; Y137-F142 VanDerWaalsContact CE1-C 3.43Å
143	R	90.8	Very high	91.6	Very high	89 Å²	89	46.8 Å²	46.8	34%	0.336	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.2	168.5	62.4	-179.8	-93	-123.1	-1.3	109.5	G134 W135 Y137 I145 Q302	G134-R143 CarbonylContact C-O 3.52Å; W135-R143 HydrophobicContact CB-CG 4Å; W135-R143 WeakPolarHBondContact CB-O 3.45Å; W135-R143 PolarHBondContact N-O 3.1Å; W135-R143 PolarHBondContact O-N 3.35Å; Y137-R143 HydrophobicContact CD1-CB 4.15Å; Y137-R143 HydrophobicContact CD1-CG 4.01Å; Y137-R143 HydrophobicContact CE1-CB 3.98Å; Y137-R143 HydrophobicContact CE1-CG 4.35Å; R143-I145 HydrophobicContact CG-CG2 3.99Å; R143-Q302 VanDerWaalsContact NH1-CD 3.26Å
144	M	93.4	Very high	91.9	Very high	104 Å²	104	50.2 Å²	50.2	51%	0.512	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.4	169.3	-67.2	-55.9	-58.7	0	0	108.9	R132 R133	R132-M144 HydrophobicContact CB-CE 3.66Å; R133-M144 VanDerWaalsContact C-CE 3.45Å; R133-M144 WeakPolarHBondContact O-CA 3.25Å
145	I	92	Very high	92.1	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.6	172.3	65.7	169.1	0	0	0	110.1	R132 R133 W135 R143 I147	R132-I145 CarbonylContact C-O 3.2Å; R132-I145 VanDerWaalsContact CA-O 3.26Å; R132-I145 WeakPolarHBondContact CA-O 3.33Å; R133-I145 PolarHBondContact N-O 3.24Å; R133-I145 PolarHBondContact O-N 3.37Å; W135-I145 HydrophobicContact CB-CD1 4.1Å; W135-I145 HydrophobicContact CB-CG1 4.1Å; W135-I145 HydrophobicContact CB-CG2 3.85Å; W135-I145 HydrophobicContact CD2-CD1 3.48Å; W135-I145 VanDerWaalsContact CD2-CD1 3.48Å; W135-I145 HydrophobicContact CD2-CG1 4.38Å; W135-I145 HydrophobicContact CE3-CD1 3.35Å; W135-I145 HydrophobicContact CE3-CG1 4.2Å; W135-I145 HydrophobicContact CG-CD1 3.87Å; W135-I145 HydrophobicContact CG-CG1 4.41Å; W135-I145 HydrophobicContact CG-CG2 4.22Å; W135-I145 HydrophobicContact CH2-CD1 4.43Å; W135-I145 HydrophobicContact CZ3-CD1 3.87Å; R143-I145 HydrophobicContact CG-CG2 3.99Å; I145-I147 HydrophobicContact CD1-CD1 3.76Å; I145-I147 HydrophobicContact CD1-CG1 3.8Å; I145-I147 HydrophobicContact CG1-CD1 3.9Å; I145-I147 HydrophobicContact CG1-CG1 3.89Å
146	E	94.1	Very high	92.4	Very high	112 Å²	112	50.7 Å²	50.7	52%	0.523	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.3	172.8	-75.8	161.1	-168.9	0	0	108.4	E130 R132	E130-E146 HydrophobicContact CG-CB 4.2Å; E130-E146 HydrophobicContact CG-CG 4.45Å; R132-E146 HydrophobicContact CG-CG 3.9Å
147	I	95.3	Very high	92.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131	-175.5	-62	162.9	0	0	0	108.6	E130 V131 R133 I145 F149 E172	E130-I147 CarbonylContact C-O 3.46Å; E130-I147 WeakPolarHBondContact CA-O 3.33Å; V131-I147 PolarHBondContact N-O 3.32Å; V131-I147 PolarHBondContact O-N 2.94Å; R133-I147 HydrophobicContact CB-CD1 3.87Å; R133-I147 HydrophobicContact CG-CD1 3.89Å; I145-I147 HydrophobicContact CD1-CD1 3.76Å; I145-I147 HydrophobicContact CD1-CG1 3.8Å; I145-I147 HydrophobicContact CG1-CD1 3.9Å; I145-I147 HydrophobicContact CG1-CG1 3.89Å; I147-F149 HydrophobicContact CB-CE2 3.73Å; I147-F149 HydrophobicContact CB-CZ 4.13Å; I147-F149 HydrophobicContact CG2-CD2 4.02Å; I147-F149 HydrophobicContact CG2-CE1 4.2Å; I147-F149 HydrophobicContact CG2-CE2 3.25Å; I147-F149 HydrophobicContact CG2-CZ 3.33Å; I147-E172 WeakPolarHBondContact CD1-OE1 3.44Å; I147-E172 HydrophobicContact CG2-CG 3.31Å; I147-E172 WeakPolarHBondContact CG2-OE1 3.36Å
148	M	96.2	Very high	93.3	Very high	44 Å²	44	49.2 Å²	49.2	22%	0.217	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.2	178	-60.3	-58.8	-76	0	0	110.6	I128 E130 L173	I128-M148 HydrophobicContact CG2-CE 3.35Å; E130-M148 HydrophobicContact CB-CE 4.4Å; E130-M148 HydrophobicContact CB-SD 3.48Å; E130-M148 WeakPolarHBondContact CB-SD 3.49Å; E130-M148 HydrophobicContact CG-SD 3.59Å; E130-M148 VanDerWaalsContact CG-SD 3.59Å; M148-L173 HydrophobicContact CB-CB 4.25Å; M148-L173 HydrophobicContact CB-CD1 4.26Å; M148-L173 PolarHBondContact O-N 3.02Å
149	F	97.6	Very high	94.1	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.3	178.2	-64.3	-93.4	0	0	0	111.2	I128 T129 V131 I147 E169 A171 E172	I128-F149 CarbonylContact C-O 3.28Å; I128-F149 VanDerWaalsContact CA-O 3.25Å; I128-F149 WeakPolarHBondContact CA-O 3.48Å; T129-F149 HydrophobicContact CG2-CB 4Å; T129-F149 PolarHBondContact N-O 3.06Å; T129-F149 PolarHBondContact O-N 3.33Å; V131-F149 HydrophobicContact CB-CD2 4.28Å; V131-F149 HydrophobicContact CB-CE2 3.87Å; V131-F149 HydrophobicContact CG2-CD2 3.93Å; V131-F149 HydrophobicContact CG2-CE2 3.96Å; I147-F149 HydrophobicContact CB-CE2 3.73Å; I147-F149 HydrophobicContact CB-CZ 4.13Å; I147-F149 HydrophobicContact CG2-CD2 4.02Å; I147-F149 HydrophobicContact CG2-CE1 4.2Å; I147-F149 HydrophobicContact CG2-CE2 3.25Å; I147-F149 HydrophobicContact CG2-CZ 3.33Å; F149-E169 HydrophobicContact CD1-CB 4.45Å; F149-E169 HydrophobicContact CD2-CB 4.41Å; F149-E169 HydrophobicContact CG-CB 4.31Å; F149-A171 CarbonylContact C-O 3.55Å; F149-A171 VanDerWaalsContact CA-O 3.25Å; F149-A171 WeakPolarHBondContact CA-O 3.41Å; F149-E172 HydrophobicContact CD1-CB 4.12Å; F149-E172 HydrophobicContact CD1-CG 4.44Å; F149-E172 HydrophobicContact CE1-CB 3.82Å; F149-E172 HydrophobicContact CE1-CG 3.9Å; F149-E172 HydrophobicContact CZ-CG 4.12Å
150	V	98	Very high	95.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.6	156	-177.6	0	0	0	0	108.5	F112 V127 V155 G170 A171 L173 W186 L213	F112-V150 HydrophobicContact CD2-CG2 4.26Å; F112-V150 HydrophobicContact CE2-CG2 3.49Å; F112-V150 VanDerWaalsContact CE2-CG2 3.49Å; F112-V150 HydrophobicContact CZ-CG2 4.06Å; V127-V150 CarbonylContact O-C 3.57Å; V127-V150 WeakPolarHBondContact O-CA 3.22Å; V150-V155 HydrophobicContact CB-CG1 4.01Å; V150-V155 HydrophobicContact CG1-CB 4.12Å; V150-V155 HydrophobicContact CG1-CG1 3.89Å; V150-V155 HydrophobicContact CG1-CG2 4.1Å; V150-G170 CarbonylContact O-C 3.56Å; V150-G170 WeakPolarHBondContact O-CA 3.01Å; V150-A171 PolarHBondContact N-O 3.06Å; V150-A171 PolarHBondContact O-N 3.05Å; V150-L173 HydrophobicContact CG2-CD1 4.04Å; V150-L173 HydrophobicContact CG2-CD2 3.75Å; V150-L173 HydrophobicContact CG2-CG 3.98Å; V150-W186 HydrophobicContact CB-CH2 4.02Å; V150-W186 HydrophobicContact CB-CZ3 3.88Å; V150-W186 HydrophobicContact CG1-CH2 4.45Å; V150-W186 HydrophobicContact CG2-CH2 3.92Å; V150-W186 HydrophobicContact CG2-CZ3 3.64Å; V150-L213 HydrophobicContact CG1-CD1 3.95Å
151	R	96.8	Very high	95.8	Very high	70 Å²	70	52.7 Å²	52.7	26%	0.264	26%	0.257	S	S	.	.			trans	-111.8	14	-172.5	66.3	152.8	-179.9	-160.4	-7.5	114	S126 V127 T129 K156 E169	S126-R151 VanDerWaalsContact O-CZ 3.28Å; S126-R151 PolarHBondContact O-NE 2.92Å; S126-R151 PolarHBondContact O-NH2 2.75Å; V127-R151 WeakPolarHBondContact O-CG 3.34Å; V127-R151 PolarHBondContact O-N 2.69Å; T129-R151 HydrophobicContact CG2-CB 3.96Å; T129-R151 HydrophobicContact CG2-CG 3.94Å; R151-K156 PolarHBondContact O-NZ 2.78Å; R151-E169 VanDerWaalsContact CB-O 3.29Å; R151-E169 WeakPolarHBondContact CB-O 3.21Å
152	S	96.9	Very high	96.3	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.021	25%	0.248	C	C	.	.			trans	-58.9	155.1	174.9	60.2	0	0	0	0	110.9	R154 V155 K156 D216	S152-R154 PolarHBondContact O-N 3.08Å; S152-V155 PolarHBondContact O-N 3.38Å; S152-V155 WeakPolarHBondContact OG-CB 3.46Å; S152-V155 VanDerWaalsContact OG-CG2 3.28Å; S152-V155 WeakPolarHBondContact OG-CG2 3.12Å; S152-K156 VanDerWaalsContact O-CB 3.24Å; S152-K156 WeakPolarHBondContact O-CB 3.36Å; S152-K156 PolarHBondContact O-N 2.92Å; S152-D216 WeakPolarHBondContact CB-OD2 3.4Å; S152-D216 WeakPolarHBondContact OG-CB 3.47Å; S152-D216 PolarHBondContact OG-OD2 2.9Å
153	P	97.1	Very high	96.6	Very high	79 Å²	79	46.9 Å²	46.9	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-57.2	-50.9	-164.7	-27.3	36.5	0	0	0	114.9	Y123 A157	Y123-P153 HydrophobicContact CE1-CG 3.92Å; P153-A157 WeakPolarHBondContact O-CB 3.38Å; P153-A157 PolarHBondContact O-N 3.37Å; P153-A157 VanDerWaalsContact O-N 3.07Å
154	R	97.6	Very high	96.9	Very high	91 Å²	91	44.6 Å²	44.6	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-72.4	-40.9	-179.8	-63.1	174.4	170.3	80.7	3.5	111.5	S152 K156 A157 A158 A212 E215 D216	S152-R154 PolarHBondContact O-N 3.08Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.67Å; R154-A157 PolarHBondContact O-N 3.17Å; R154-A158 VanDerWaalsContact O-CB 3.31Å; R154-A158 WeakPolarHBondContact O-CB 3.06Å; R154-A158 PolarHBondContact O-N 3.07Å; R154-A212 HydrophobicContact CB-CB 3.82Å; R154-E215 WeakPolarHBondContact CD-OE2 3.39Å; R154-E215 IonicContact NE-OE2 3.55Å; R154-E215 PolarHBondContact NE-OE2 2.89Å; R154-E215 VanDerWaalsContact NE-OE2 3.17Å; R154-D216 WeakPolarHBondContact CA-OD2 3.35Å; R154-D216 VanDerWaalsContact CB-OD1 3.28Å; R154-D216 WeakPolarHBondContact CB-OD1 3.47Å; R154-D216 WeakPolarHBondContact CB-OD2 3.48Å; R154-D216 VanDerWaalsContact CG-OD1 3.22Å; R154-D216 WeakPolarHBondContact CG-OD1 3.04Å; R154-D216 PolarHBondContact N-OD1 3.38Å; R154-D216 VanDerWaalsContact N-OD1 3.15Å; R154-D216 PolarHBondContact N-OD2 3.32Å; R154-D216 IonicContact NH1-OD1 3.1Å
155	V	98.3	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-44.7	178.2	173.8	0	0	0	0	110.6	V150 S152 A158 A159 A171 W186 A212 L213 D216	V150-V155 HydrophobicContact CB-CG1 4.01Å; V150-V155 HydrophobicContact CG1-CB 4.12Å; V150-V155 HydrophobicContact CG1-CG1 3.89Å; V150-V155 HydrophobicContact CG1-CG2 4.1Å; S152-V155 PolarHBondContact O-N 3.38Å; S152-V155 WeakPolarHBondContact OG-CB 3.46Å; S152-V155 VanDerWaalsContact OG-CG2 3.28Å; S152-V155 WeakPolarHBondContact OG-CG2 3.12Å; V155-A158 PolarHBondContact O-N 3.42Å; V155-A159 VanDerWaalsContact O-CB 3.3Å; V155-A159 WeakPolarHBondContact O-CB 3.33Å; V155-A159 PolarHBondContact O-N 2.67Å; V155-A171 HydrophobicContact CG1-CB 3.46Å; V155-A171 VanDerWaalsContact CG1-CB 3.46Å; V155-W186 HydrophobicContact CG1-CH2 4.04Å; V155-A212 HydrophobicContact CG2-CB 4.04Å; V155-L213 HydrophobicContact CG2-CB 3.93Å; V155-L213 HydrophobicContact CG2-CD1 4.08Å; V155-D216 PolarHBondContact N-OD2 2.87Å
156	K	98.2	Very high	97.4	Very high	53 Å²	53	45.6 Å²	45.6	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-46.2	174.9	177.8	179.4	-74.9	141.9	0	111.6	R151 S152 R154 A159 R160 E169	R151-K156 PolarHBondContact O-NZ 2.78Å; S152-K156 VanDerWaalsContact O-CB 3.24Å; S152-K156 WeakPolarHBondContact O-CB 3.36Å; S152-K156 PolarHBondContact O-N 2.92Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.67Å; K156-A159 PolarHBondContact O-N 2.94Å; K156-R160 WeakPolarHBondContact O-CB 3.46Å; K156-R160 WeakPolarHBondContact O-CD 3.4Å; K156-R160 WeakPolarHBondContact O-CG 3.27Å; K156-R160 PolarHBondContact O-N 3.46Å; K156-E169 WeakPolarHBondContact CE-O 3.5Å
157	A	98.3	Very high	97.4	Very high	56 Å²	56	44.2 Å²	44.2	46%	0.463	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-46.1	178	0	0	0	0	0	111.7	P153 R154 R160 Q161	P153-A157 WeakPolarHBondContact O-CB 3.38Å; P153-A157 PolarHBondContact O-N 3.37Å; P153-A157 VanDerWaalsContact O-N 3.07Å; R154-A157 PolarHBondContact O-N 3.17Å; A157-R160 PolarHBondContact O-N 3.22Å; A157-Q161 WeakPolarHBondContact O-CB 3.37Å; A157-Q161 PolarHBondContact O-N 3.46Å
158	A	98.2	Very high	97.5	Very high	11 Å²	11	44.4 Å²	44.4	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-43.2	178.8	0	0	0	0	0	111.7	R154 V155 Q161 Y162 I209 A212	R154-A158 VanDerWaalsContact O-CB 3.31Å; R154-A158 WeakPolarHBondContact O-CB 3.06Å; R154-A158 PolarHBondContact O-N 3.07Å; V155-A158 PolarHBondContact O-N 3.42Å; A158-Q161 PolarHBondContact O-N 2.87Å; A158-Y162 WeakPolarHBondContact O-CB 3.01Å; A158-Y162 PolarHBondContact O-N 2.05Å; A158-I209 VanDerWaalsContact C-CD1 3.46Å; A158-I209 HydrophobicContact CB-CD1 3.83Å; A158-A212 HydrophobicContact CB-CB 3.89Å
159	A	98.3	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-42.6	177.2	0	0	0	0	0	112.3	V155 K156 T163 L168 A171 I209	V155-A159 VanDerWaalsContact O-CB 3.3Å; V155-A159 WeakPolarHBondContact O-CB 3.33Å; V155-A159 PolarHBondContact O-N 2.67Å; K156-A159 PolarHBondContact O-N 2.94Å; A159-T163 WeakPolarHBondContact O-CB 3.46Å; A159-T163 WeakPolarHBondContact O-CG2 3.42Å; A159-T163 PolarHBondContact O-N 3.14Å; A159-T163 PolarHBondContact O-OG1 3.38Å; A159-L168 HydrophobicContact CB-CD2 4.04Å; A159-A171 HydrophobicContact CB-CB 4.17Å; A159-I209 HydrophobicContact CB-CD1 4.25Å
160	R	98.3	Very high	97.6	Very high	81 Å²	81	44.3 Å²	44.3	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-48.2	175.8	-70.2	170.4	174.6	-158.1	-11.2	111.5	K156 A157 T163 G164 C165 D166 L168	K156-R160 WeakPolarHBondContact O-CB 3.46Å; K156-R160 WeakPolarHBondContact O-CD 3.4Å; K156-R160 WeakPolarHBondContact O-CG 3.27Å; K156-R160 PolarHBondContact O-N 3.46Å; A157-R160 PolarHBondContact O-N 3.22Å; R160-T163 PolarHBondContact O-OG1 2.8Å; R160-G164 WeakPolarHBondContact O-CA 3.35Å; R160-G164 PolarHBondContact O-N 3.06Å; R160-C165 WeakPolarHBondContact CG-O 3.37Å; R160-C165 PolarHBondContact O-N 2.04Å; R160-D166 WeakPolarHBondContact CD-O 3.25Å; R160-D166 PolarHBondContact NE-O 3.05Å; R160-D166 VanDerWaalsContact NE-O 3.07Å; R160-D166 PolarHBondContact NH1-O 3.34Å; R160-L168 HydrophobicContact CG-CB 3.99Å; R160-L168 VanDerWaalsContact CZ-O 3.32Å; R160-L168 PolarHBondContact NE-O 3.12Å; R160-L168 PolarHBondContact NH2-O 3.49Å
161	Q	97.9	Very high	97.6	Very high	163 Å²	163	44.3 Å²	44.3	76%	0.762	23%	0.232	S	C	*	.	H	α-helix	trans	-63	-44.3	178.6	-174.5	-177.8	11.6	0	0	112	A157 A158	A157-Q161 WeakPolarHBondContact O-CB 3.37Å; A157-Q161 PolarHBondContact O-N 3.46Å; A158-Q161 PolarHBondContact O-N 2.87Å
162	Y	98	Very high	97.6	Very high	16 Å²	16	41.2 Å²	41.2	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-49	179.2	162.1	-105.8	0	0	0	111.9	A158 I190 F191 L230 W232 K234 G235	A158-Y162 WeakPolarHBondContact O-CB 3.01Å; A158-Y162 PolarHBondContact O-N 2.05Å; Y162-I190 HydrophobicContact CE1-CG2 4.39Å; Y162-I190 PolarHBondContact OH-O 3.03Å; Y162-F191 HydrophobicContact CD1-CD1 4.16Å; Y162-F191 AromaticContact CD1-CE1 3.82Å; Y162-F191 HydrophobicContact CD1-CE1 3.82Å; Y162-F191 AromaticContact CE1-CD1 3.59Å; Y162-F191 HydrophobicContact CE1-CD1 3.59Å; Y162-F191 AromaticContact CE1-CE1 3.66Å; Y162-F191 HydrophobicContact CE1-CE1 3.66Å; Y162-L230 HydrophobicContact CD2-CD2 4.35Å; Y162-L230 HydrophobicContact CE1-CD2 4.34Å; Y162-L230 HydrophobicContact CE2-CB 3.98Å; Y162-L230 HydrophobicContact CE2-CD2 3.55Å; Y162-L230 HydrophobicContact CE2-CG 3.62Å; Y162-L230 WeakPolarHBondContact CE2-O 3.44Å; Y162-L230 WeakPolarHBondContact OH-CD2 3.21Å; Y162-W232 WeakPolarHBondContact CE2-O 3.39Å; Y162-W232 PolarHBondContact OH-O 3.21Å; Y162-K234 HydrophobicContact CD2-CB 4.1Å; Y162-K234 HydrophobicContact CD2-CG 4.11Å; Y162-K234 HydrophobicContact CE2-CB 3.93Å; Y162-K234 HydrophobicContact CE2-CG 4.45Å; Y162-K234 CarbonylContact O-C 3.6Å; Y162-K234 WeakPolarHBondContact O-CA 3.32Å; Y162-G235 PolarHBondContact O-N 2.83Å
163	T	97.5	Very high	97.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-77.2	-23.7	-177.7	57.6	0	0	0	0	113.1	A159 R160 C165 L168 I190 G235 L236 G237 A241	A159-T163 WeakPolarHBondContact O-CB 3.46Å; A159-T163 WeakPolarHBondContact O-CG2 3.42Å; A159-T163 PolarHBondContact O-N 3.14Å; A159-T163 PolarHBondContact O-OG1 3.38Å; R160-T163 PolarHBondContact O-OG1 2.8Å; T163-C165 VanDerWaalsContact C-N 3.33Å; T163-C165 WeakPolarHBondContact OG1-CB 3.33Å; T163-C165 PolarHBondContact OG1-N 3.28Å; T163-L168 HydrophobicContact CG2-CD2 4.1Å; T163-I190 HydrophobicContact CG2-CG2 4.41Å; T163-G235 CarbonylContact O-C 3.52Å; T163-G235 WeakPolarHBondContact O-CA 3.47Å; T163-L236 PolarHBondContact O-N 3.1Å; T163-G237 WeakPolarHBondContact O-CA 3.5Å; T163-G237 PolarHBondContact O-N 3.03Å; T163-A241 HydrophobicContact CG2-CB 3.91Å
164	G	97.7	Very high	97.6	Very high	42 Å²	42	37.5 Å²	37.5	43%	0.433	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	30.5	-167.6	0	0	0	0	0	112.5	R160	R160-G164 WeakPolarHBondContact O-CA 3.35Å; R160-G164 PolarHBondContact O-N 3.06Å
165	C	98	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.			trans	-120.9	95.8	178.9	-177.2	0	0	0	0	110.3	R160 T163 D167 L168 C238 A241	R160-C165 WeakPolarHBondContact CG-O 3.37Å; R160-C165 PolarHBondContact O-N 2.04Å; T163-C165 VanDerWaalsContact C-N 3.33Å; T163-C165 WeakPolarHBondContact OG1-CB 3.33Å; T163-C165 PolarHBondContact OG1-N 3.28Å; C165-D167 VanDerWaalsContact C-N 3.27Å; C165-D167 PolarHBondContact O-N 3.1Å; C165-D167 PolarHBondContact SG-OD1 2.83Å; C165-L168 HydrophobicContact CB-CB 4.29Å; C165-L168 WeakPolarHBondContact O-CB 3.36Å; C165-L168 PolarHBondContact O-N 2.94Å; C165-C238 WeakPolarHBondContact CA-SG 3.06Å; C165-C238 HydrophobicContact CB-CB 3.98Å; C165-C238 WeakPolarHBondContact CB-SG 3.24Å; C165-C238 WeakPolarHBondContact SG-CA 3.19Å; C165-C238 WeakPolarHBondContact SG-CB 3.45Å; C165-C238 CovalentContact SG-SG 2.04Å; C165-C238 PolarHBondContact SG-SG 2.71Å; C165-A241 HydrophobicContact CB-CB 4.39Å
166	D	97.3	Very high	96.7	Very high	134 Å²	134	36.7 Å²	36.7	72%	0.717	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.4	-168.8	-67.6	-26.8	0	0	0	114.9	R160	R160-D166 WeakPolarHBondContact CD-O 3.25Å; R160-D166 PolarHBondContact NE-O 3.05Å; R160-D166 VanDerWaalsContact NE-O 3.07Å; R160-D166 PolarHBondContact NH1-O 3.34Å
167	D	95	Very high	95.9	Very high	83 Å²	83	36 Å²	36	44%	0.444	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	6.5	-177.8	69.7	-20.4	0	0	0	113.2	C165 C238 R242	C165-D167 VanDerWaalsContact C-N 3.27Å; C165-D167 PolarHBondContact O-N 3.1Å; C165-D167 PolarHBondContact SG-OD1 2.83Å; D167-C238 PolarHBondContact OD1-SG 3.04Å; D167-R242 VanDerWaalsContact C-NH2 3.27Å; D167-R242 VanDerWaalsContact CG-CZ 3.45Å; D167-R242 PolarHBondContact O-NH2 3.38Å; D167-R242 IonicContact OD1-CZ 2.84Å; D167-R242 VanDerWaalsContact OD1-CZ 3.25Å; D167-R242 IonicContact OD1-NH1 2.63Å; D167-R242 PolarHBondContact OD1-NH1 2.91Å; D167-R242 VanDerWaalsContact OD1-NH1 3.1Å; D167-R242 IonicContact OD1-NH2 3.73Å; D167-R242 PolarHBondContact OD1-NH2 3.17Å; D167-R242 IonicContact OD2-CZ 2.89Å; D167-R242 VanDerWaalsContact OD2-CZ 3.3Å; D167-R242 IonicContact OD2-NH1 2.67Å; D167-R242 PolarHBondContact OD2-NH1 2.91Å; D167-R242 IonicContact OD2-NH2 3.33Å; D167-R242 PolarHBondContact OD2-NH2 3.01Å; D167-R242 VanDerWaalsContact OD2-NH2 3.14Å
168	L	96.7	Very high	94.9	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	21%	0.213	C	C	.	.			trans	-57.8	139.8	178	-163.1	67.6	0	0	0	111.9	A159 R160 T163 C165 G170 A241 R242	A159-L168 HydrophobicContact CB-CD2 4.04Å; R160-L168 HydrophobicContact CG-CB 3.99Å; R160-L168 VanDerWaalsContact CZ-O 3.32Å; R160-L168 PolarHBondContact NE-O 3.12Å; R160-L168 PolarHBondContact NH2-O 3.49Å; T163-L168 HydrophobicContact CG2-CD2 4.1Å; C165-L168 HydrophobicContact CB-CB 4.29Å; C165-L168 WeakPolarHBondContact O-CB 3.36Å; C165-L168 PolarHBondContact O-N 2.94Å; L168-G170 WeakPolarHBondContact CD2-O 3.27Å; L168-G170 PolarHBondContact O-N 2.88Å; L168-A241 HydrophobicContact CD1-CB 4.01Å; L168-A241 HydrophobicContact CD2-CB 4.4Å; L168-R242 HydrophobicContact CD1-CG 4.04Å
169	E	97.1	Very high	93.7	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	25%	0.248	C	C	.	.			trans	-77.6	-22.5	-169.4	-64.1	90.9	119.6	0	0	112.9	V131 R133 F149 R151 K156 R242	V131-E169 HydrophobicContact CG2-CB 4.27Å; V131-E169 HydrophobicContact CG2-CG 4.05Å; R133-E169 IonicContact CZ-OE1 2.83Å; R133-E169 IonicContact CZ-OE2 3.59Å; R133-E169 IonicContact NE-OE1 3.36Å; R133-E169 PolarHBondContact NE-OE1 3.34Å; R133-E169 IonicContact NH2-OE1 3.81Å; R133-E169 PolarHBondContact NH2-OE1 2.91Å; R133-E169 IonicContact NH2-OE2 3.99Å; R133-E169 PolarHBondContact NH2-OE2 2.74Å; F149-E169 HydrophobicContact CD1-CB 4.45Å; F149-E169 HydrophobicContact CD2-CB 4.41Å; F149-E169 HydrophobicContact CG-CB 4.31Å; R151-E169 VanDerWaalsContact CB-O 3.29Å; R151-E169 WeakPolarHBondContact CB-O 3.21Å; K156-E169 WeakPolarHBondContact CE-O 3.5Å; E169-R242 IonicContact OE2-CZ 2.72Å; E169-R242 IonicContact OE2-NE 3.58Å; E169-R242 PolarHBondContact OE2-NE 2.89Å; E169-R242 IonicContact OE2-NH2 3.65Å; E169-R242 PolarHBondContact OE2-NH2 3.39Å
170	G	97.7	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	165.4	-165.3	-177.4	0	0	0	0	0	111.4	V150 L168	V150-G170 CarbonylContact O-C 3.56Å; V150-G170 WeakPolarHBondContact O-CA 3.01Å; L168-G170 WeakPolarHBondContact CD2-O 3.27Å; L168-G170 PolarHBondContact O-N 2.88Å
171	A	98.2	Very high	91.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.6	164.7	0	0	0	0	0	109.4	F149 V150 V155 A159 W186 F191 I209	F149-A171 CarbonylContact C-O 3.55Å; F149-A171 VanDerWaalsContact CA-O 3.25Å; F149-A171 WeakPolarHBondContact CA-O 3.41Å; V150-A171 PolarHBondContact N-O 3.06Å; V150-A171 PolarHBondContact O-N 3.05Å; V155-A171 HydrophobicContact CG1-CB 3.46Å; V155-A171 VanDerWaalsContact CG1-CB 3.46Å; A159-A171 HydrophobicContact CB-CB 4.17Å; A171-W186 HydrophobicContact CB-CE3 3.83Å; A171-W186 HydrophobicContact CB-CH2 4.07Å; A171-W186 HydrophobicContact CB-CZ3 3.55Å; A171-F191 HydrophobicContact CB-CE2 4.26Å; A171-F191 HydrophobicContact CB-CZ 3.86Å; A171-I209 HydrophobicContact CB-CG2 3.81Å
172	E	97.5	Very high	90.5	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	134.3	-177.8	-158.1	170	-160.8	0	0	110.2	I147 F149 E187 R189 I190	I147-E172 WeakPolarHBondContact CD1-OE1 3.44Å; I147-E172 HydrophobicContact CG2-CG 3.31Å; I147-E172 WeakPolarHBondContact CG2-OE1 3.36Å; F149-E172 HydrophobicContact CD1-CB 4.12Å; F149-E172 HydrophobicContact CD1-CG 4.44Å; F149-E172 HydrophobicContact CE1-CB 3.82Å; F149-E172 HydrophobicContact CE1-CG 3.9Å; F149-E172 HydrophobicContact CZ-CG 4.12Å; E172-E187 HydrophobicContact CB-CB 3.7Å; E172-E187 HydrophobicContact CB-CG 4.23Å; E172-E187 HydrophobicContact CG-CB 3.91Å; E172-E187 HydrophobicContact CG-CG 4.06Å; E172-E187 WeakPolarHBondContact O-CB 3.44Å; E172-E187 PolarHBondContact O-N 3.41Å; E172-R189 VanDerWaalsContact CD-NH2 3.25Å; E172-R189 IonicContact OE1-NH2 3.68Å; E172-R189 PolarHBondContact OE1-NH2 3.08Å; E172-R189 VanDerWaalsContact OE1-NH2 3.15Å; E172-R189 IonicContact OE2-CZ 3.63Å; E172-R189 IonicContact OE2-NH2 3.8Å; E172-R189 PolarHBondContact OE2-NH2 2.72Å; E172-I190 VanDerWaalsContact OE2-CG1 3.31Å; E172-I190 WeakPolarHBondContact OE2-CG1 3.13Å
173	L	97.2	Very high	90	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-92.1	145.3	174	-68.4	175.2	0	0	0	109.7	F106 F112 M148 V150 N175 H185 W186	F106-L173 HydrophobicContact CE1-CD2 3.85Å; F106-L173 HydrophobicContact CZ-CD2 3.72Å; F112-L173 HydrophobicContact CE2-CD1 4.42Å; M148-L173 HydrophobicContact CB-CB 4.25Å; M148-L173 HydrophobicContact CB-CD1 4.26Å; M148-L173 PolarHBondContact O-N 3.02Å; V150-L173 HydrophobicContact CG2-CD1 4.04Å; V150-L173 HydrophobicContact CG2-CD2 3.75Å; V150-L173 HydrophobicContact CG2-CG 3.98Å; L173-N175 PolarHBondContact O-N 2.92Å; L173-H185 WeakPolarHBondContact CA-O 3.42Å; L173-H185 WeakPolarHBondContact CD2-O 3.32Å; L173-W186 HydrophobicContact CD2-CE3 3.89Å; L173-W186 HydrophobicContact CD2-CZ3 3.81Å
174	E	96.1	Very high	89.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-53.6	130.6	177.7	-178.3	55.7	-116.6	0	0	111.5	G176 T181 S182 K183 H185 K188 L330	E174-G176 WeakPolarHBondContact OE1-CA 3.47Å; E174-G176 PolarHBondContact OE1-N 3.34Å; E174-T181 HydrophobicContact CG-CG2 4.11Å; E174-S182 CarbonylContact O-C 3.56Å; E174-S182 WeakPolarHBondContact O-CA 3.45Å; E174-S182 PolarHBondContact O-OG 3.07Å; E174-K183 PolarHBondContact O-N 2.9Å; E174-H185 HydrophobicContact CB-CB 4.03Å; E174-H185 PolarHBondContact N-O 3.32Å; E174-K188 PolarHBondContact OE2-N 3.07Å; E174-L330 HydrophobicContact CG-CD2 4.27Å
175	N	90.9	Very high	89.6	Confident	59 Å²	59	43 Å²	43	32%	0.316	25%	0.253	S	S	.	.			trans	-115	-7.3	-179	68.7	-5.8	0	0	0	113.3	L173	L173-N175 PolarHBondContact O-N 2.92Å
176	G	85.9	Confident	89.6	Confident	14 Å²	14	43 Å²	43	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	-97.9	-179.2	174.1	0	0	0	0	0	114	E174	E174-G176 WeakPolarHBondContact OE1-CA 3.47Å; E174-G176 PolarHBondContact OE1-N 3.34Å
177	G	81.8	Confident	89.5	Confident	38 Å²	38	36.7 Å²	36.7	39%	0.392	22%	0.219	S	C	.	.	S	Bend	trans	77.2	-162.6	176.1	0	0	0	0	0	114.8	E329	G177-E329 PolarHBondContact N-OE1 2.94Å
178	S	77.8	Confident	89.6	Confident	75 Å²	75	33 Å²	33	52%	0.524	20%	0.199	S	C	.	.			trans	-77.6	171.2	-177.9	73.3	0	0	0	0	112.6	G180 T181 S182	S178-G180 PolarHBondContact O-N 3.02Å; S178-T181 WeakPolarHBondContact O-CA 3.29Å; S178-T181 WeakPolarHBondContact O-CB 3.06Å; S178-T181 PolarHBondContact O-N 2.85Å; S178-T181 PolarHBondContact OG-OG1 2.99Å; S178-T181 VanDerWaalsContact OG-OG1 3.12Å; S178-S182 PolarHBondContact O-N 3.24Å
179	E	72	Confident	89.5	Confident	179 Å²	179	32.7 Å²	32.7	84%	0.836	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.6	174.7	-173.6	175.6	-174.5	0	0	112.7	T181	E179-T181 VanDerWaalsContact C-N 3.28Å; E179-T181 PolarHBondContact O-N 3.21Å
180	G	69.7	Low	89.4	Confident	55 Å²	55	30.9 Å²	30.9	57%	0.567	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.2	175.8	0	0	0	0	0	114.5	S178	S178-G180 PolarHBondContact O-N 3.02Å
181	T	75.3	Confident	89.4	Confident	26 Å²	26	31 Å²	31	16%	0.16	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-50.4	-178	-48.1	0	0	0	0	111.1	E174 S178 E179 S184 H185 L330	E174-T181 HydrophobicContact CG-CG2 4.11Å; S178-T181 WeakPolarHBondContact O-CA 3.29Å; S178-T181 WeakPolarHBondContact O-CB 3.06Å; S178-T181 PolarHBondContact O-N 2.85Å; S178-T181 PolarHBondContact OG-OG1 2.99Å; S178-T181 VanDerWaalsContact OG-OG1 3.12Å; E179-T181 VanDerWaalsContact C-N 3.28Å; E179-T181 PolarHBondContact O-N 3.21Å; T181-S184 PolarHBondContact O-N 3.19Å; T181-H185 PolarHBondContact O-ND1 2.82Å; T181-L330 HydrophobicContact CG2-CD1 3.82Å; T181-L330 HydrophobicContact CG2-CD2 3.82Å
182	S	82.7	Confident	89.2	Confident	30 Å²	30	31.1 Å²	31.1	21%	0.21	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	137.2	-179.3	-171.6	0	0	0	0	110.5	E174 S178 S184	E174-S182 CarbonylContact O-C 3.56Å; E174-S182 WeakPolarHBondContact O-CA 3.45Å; E174-S182 PolarHBondContact O-OG 3.07Å; S178-S182 PolarHBondContact O-N 3.24Å; S182-S184 PolarHBondContact O-N 3.37Å
183	K	87.7	Confident	89.1	Confident	113 Å²	113	32 Å²	32	49%	0.491	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-21.2	180	-54.3	169	-174.5	170.8	0	116	P108 E174 H185	P108-K183 WeakPolarHBondContact CG-O 3.28Å; E174-K183 PolarHBondContact O-N 2.9Å; K183-H185 VanDerWaalsContact C-N 3.34Å
184	S	90.8	Very high	89.1	Confident	26 Å²	26	31.9 Å²	31.9	18%	0.182	20%	0.197	C	C	.	.	S	Bend	trans	-88.5	2.6	-178.3	-62.6	0	0	0	0	114.2	H102 F106 T181 S182	H102-S184 PolarHBondContact CE1-O 3.42Å; H102-S184 VanDerWaalsContact CE1-O 3.24Å; F106-S184 WeakPolarHBondContact CD1-O 3.48Å; F106-S184 WeakPolarHBondContact CE1-O 3.47Å; T181-S184 PolarHBondContact O-N 3.19Å; S182-S184 PolarHBondContact O-N 3.37Å
185	H	95.9	Very high	89.1	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.065	20%	0.198	C	C	.	.	S	Bend	trans	-139.1	162.9	-179.6	-59.7	94.9	0	0	0	111	H98 H102 L173 E174 T181 K183 M196	H98-H185 AromaticContact CE1-CD2 3.47Å; H98-H185 PolarHBondContact CE1-CD2 3.38Å; H98-H185 VanDerWaalsContact CE1-CD2 3.47Å; H98-H185 AromaticContact CE1-NE2 3.63Å; H98-H185 AromaticContact NE2-CD2 3.63Å; H98-H185 AromaticContact NE2-NE2 3.29Å; H98-H185 PolarHBondContact NE2-NE2 2.98Å; H102-H185 AromaticContact CE1-CD2 3.84Å; H102-H185 AromaticContact CE1-NE2 3.41Å; H102-H185 PolarHBondContact CE1-NE2 2.64Å; H102-H185 AromaticContact NE2-CD2 3.99Å; H102-H185 AromaticContact NE2-NE2 3.3Å; H102-H185 PolarHBondContact NE2-NE2 3.31Å; L173-H185 WeakPolarHBondContact CA-O 3.42Å; L173-H185 WeakPolarHBondContact CD2-O 3.32Å; E174-H185 HydrophobicContact CB-CB 4.03Å; E174-H185 PolarHBondContact N-O 3.32Å; T181-H185 PolarHBondContact O-ND1 2.82Å; K183-H185 VanDerWaalsContact C-N 3.34Å; H185-M196 CarbonylContact C-O 3.18Å; H185-M196 WeakPolarHBondContact CA-O 3.35Å; H185-M196 VanDerWaalsContact CB-O 3.28Å; H185-M196 WeakPolarHBondContact CB-O 3.32Å
186	W	97.7	Very high	89.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-70.8	144.6	165.5	-62.5	134.7	0	0	0	111	F106 V150 V155 A171 L173 K188 F191 E194 M196 T197 I209 T210 L213	F106-W186 HydrophobicContact CD2-CZ2 4.43Å; F106-W186 AromaticContact CE2-CD1 3.97Å; F106-W186 AromaticContact CE2-CD2 3.57Å; F106-W186 HydrophobicContact CE2-CD2 3.57Å; F106-W186 AromaticContact CE2-CE2 3.35Å; F106-W186 HydrophobicContact CE2-CE3 4.09Å; F106-W186 AromaticContact CE2-CG 3.94Å; F106-W186 HydrophobicContact CE2-CG 3.94Å; F106-W186 HydrophobicContact CE2-CH2 4.17Å; F106-W186 AromaticContact CE2-CZ2 3.68Å; F106-W186 HydrophobicContact CE2-CZ2 3.68Å; F106-W186 HydrophobicContact CE2-CZ3 4.35Å; F106-W186 AromaticContact CE2-NE1 3.62Å; F106-W186 AromaticContact CZ-CD2 3.78Å; F106-W186 HydrophobicContact CZ-CD2 3.78Å; F106-W186 AromaticContact CZ-CE2 3.99Å; F106-W186 AromaticContact CZ-CE3 3.86Å; F106-W186 HydrophobicContact CZ-CE3 3.86Å; F106-W186 HydrophobicContact CZ-CG 4.28Å; F106-W186 HydrophobicContact CZ-CH2 4.29Å; F106-W186 HydrophobicContact CZ-CZ2 4.24Å; F106-W186 HydrophobicContact CZ-CZ3 4.1Å; V150-W186 HydrophobicContact CB-CH2 4.02Å; V150-W186 HydrophobicContact CB-CZ3 3.88Å; V150-W186 HydrophobicContact CG1-CH2 4.45Å; V150-W186 HydrophobicContact CG2-CH2 3.92Å; V150-W186 HydrophobicContact CG2-CZ3 3.64Å; V155-W186 HydrophobicContact CG1-CH2 4.04Å; A171-W186 HydrophobicContact CB-CE3 3.83Å; A171-W186 HydrophobicContact CB-CH2 4.07Å; A171-W186 HydrophobicContact CB-CZ3 3.55Å; L173-W186 HydrophobicContact CD2-CE3 3.89Å; L173-W186 HydrophobicContact CD2-CZ3 3.81Å; W186-K188 PolarHBondContact O-N 3.04Å; W186-K188 VanDerWaalsContact O-N 3.1Å; W186-F191 HydrophobicContact CB-CB 4.36Å; W186-F191 HydrophobicContact CB-CD2 3.63Å; W186-F191 HydrophobicContact CB-CE2 4.23Å; W186-F191 HydrophobicContact CB-CG 4.2Å; W186-F191 HydrophobicContact CG-CD2 4.34Å; W186-E194 VanDerWaalsContact CD1-OE2 3.28Å; W186-M196 HydrophobicContact CG-CB 4.39Å; W186-M196 PolarHBondContact N-O 3.07Å; W186-T197 HydrophobicContact CB-CG2 4.41Å; W186-I209 HydrophobicContact CD2-CG2 4.09Å; W186-I209 HydrophobicContact CH2-CG2 4.29Å; W186-I209 HydrophobicContact CZ2-CG2 3.75Å; W186-T210 PolarHBondContact NE1-OG1 2.79Å; W186-L213 HydrophobicContact CH2-CB 4.4Å; W186-L213 HydrophobicContact CH2-CD1 4.16Å; W186-L213 HydrophobicContact CH2-CD2 4.09Å; W186-L213 HydrophobicContact CH2-CG 4.46Å; W186-L213 HydrophobicContact CZ2-CB 4Å; W186-L213 HydrophobicContact CZ2-CD2 3.8Å; W186-L213 HydrophobicContact CZ2-CG 4.33Å
187	E	96.7	Very high	89.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.176	C	C	.	.			trans	-55.8	110.4	176.6	175.2	47.3	-117.5	0	0	111.8	E172 R189 I190 F191	E172-E187 HydrophobicContact CB-CB 3.7Å; E172-E187 HydrophobicContact CB-CG 4.23Å; E172-E187 HydrophobicContact CG-CB 3.91Å; E172-E187 HydrophobicContact CG-CG 4.06Å; E172-E187 WeakPolarHBondContact O-CB 3.44Å; E172-E187 PolarHBondContact O-N 3.41Å; E187-R189 VanDerWaalsContact C-N 3.26Å; E187-R189 HydrophobicContact CG-CB 4.13Å; E187-R189 PolarHBondContact O-N 3.4Å; E187-R189 WeakPolarHBondContact OE1-CB 3.25Å; E187-R189 PolarHBondContact OE1-N 3.45Å; E187-I190 HydrophobicContact CG-CB 4.32Å; E187-I190 HydrophobicContact CG-CG1 4.03Å; E187-I190 PolarHBondContact O-N 2.81Å; E187-I190 VanDerWaalsContact O-N 3.12Å; E187-F191 HydrophobicContact CB-CD2 4.42Å; E187-F191 VanDerWaalsContact O-CD2 3.31Å; E187-F191 WeakPolarHBondContact O-CD2 3.19Å; E187-F191 PolarHBondContact O-N 2.99Å
188	K	95.5	Very high	90.1	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-28.5	-172.8	-171.3	179.8	-177.1	63.4	0	112.1	E174 W186 I190 G192 T197 V199 S201 D328 L330 T331	E174-K188 PolarHBondContact OE2-N 3.07Å; W186-K188 PolarHBondContact O-N 3.04Å; W186-K188 VanDerWaalsContact O-N 3.1Å; K188-I190 VanDerWaalsContact C-N 3.28Å; K188-I190 PolarHBondContact O-N 3.47Å; K188-G192 PolarHBondContact NZ-O 3.37Å; K188-G192 WeakPolarHBondContact O-CA 3.27Å; K188-G192 PolarHBondContact O-N 3.07Å; K188-T197 HydrophobicContact CB-CG2 4.25Å; K188-T197 HydrophobicContact CG-CG2 4.28Å; K188-V199 HydrophobicContact CD-CB 4.24Å; K188-V199 PolarHBondContact NZ-O 3.27Å; K188-S201 PolarHBondContact NZ-OG 2.83Å; K188-D328 WeakPolarHBondContact CE-OD2 3.37Å; K188-L330 HydrophobicContact CB-CB 4.16Å; K188-L330 WeakPolarHBondContact CB-O 3.15Å; K188-L330 HydrophobicContact CD-CB 4.07Å; K188-T331 HydrophobicContact CD-CG2 3.94Å; K188-T331 HydrophobicContact CG-CG2 4.06Å
189	R	95	Very high	90.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.7	-41.3	173.3	-179	178.1	50.5	69.8	14.8	112.4	W135 E172 E187 W232 Y262 D332	W135-R189 VanDerWaalsContact CH2-CZ 3.45Å; E172-R189 VanDerWaalsContact CD-NH2 3.25Å; E172-R189 IonicContact OE1-NH2 3.68Å; E172-R189 PolarHBondContact OE1-NH2 3.08Å; E172-R189 VanDerWaalsContact OE1-NH2 3.15Å; E172-R189 IonicContact OE2-CZ 3.63Å; E172-R189 IonicContact OE2-NH2 3.8Å; E172-R189 PolarHBondContact OE2-NH2 2.72Å; E187-R189 VanDerWaalsContact C-N 3.26Å; E187-R189 HydrophobicContact CG-CB 4.13Å; E187-R189 PolarHBondContact O-N 3.4Å; E187-R189 WeakPolarHBondContact OE1-CB 3.25Å; E187-R189 PolarHBondContact OE1-N 3.45Å; R189-W232 PolarHBondContact O-NE1 3.19Å; R189-Y262 HydrophobicContact CG-CE1 4.32Å; R189-Y262 WeakPolarHBondContact CG-OH 3.49Å; R189-Y262 PolarHBondContact O-OH 2.83Å; R189-D332 VanDerWaalsContact CD-OD2 3.27Å; R189-D332 WeakPolarHBondContact CD-OD2 3.43Å; R189-D332 IonicContact CZ-OD2 2.73Å; R189-D332 IonicContact NE-OD2 2.68Å; R189-D332 PolarHBondContact NE-OD2 3.16Å
190	I	96.2	Very high	90.8	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-87.3	-38.7	-176.8	-64.2	-55.8	0	0	0	112.7	Y162 T163 E172 E187 K188 F240	Y162-I190 HydrophobicContact CE1-CG2 4.39Å; Y162-I190 PolarHBondContact OH-O 3.03Å; T163-I190 HydrophobicContact CG2-CG2 4.41Å; E172-I190 VanDerWaalsContact OE2-CG1 3.31Å; E172-I190 WeakPolarHBondContact OE2-CG1 3.13Å; E187-I190 HydrophobicContact CG-CB 4.32Å; E187-I190 HydrophobicContact CG-CG1 4.03Å; E187-I190 PolarHBondContact O-N 2.81Å; E187-I190 VanDerWaalsContact O-N 3.12Å; K188-I190 VanDerWaalsContact C-N 3.28Å; K188-I190 PolarHBondContact O-N 3.47Å; I190-F240 HydrophobicContact CD1-CD1 4.28Å; I190-F240 HydrophobicContact CD1-CE1 3.96Å; I190-F240 HydrophobicContact CD1-CZ 4.27Å; I190-F240 WeakPolarHBondContact CD1-O 3.38Å; I190-F240 HydrophobicContact CG2-CE1 4.39Å
191	F	96.8	Very high	91.6	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-104.8	-7.1	-171.5	-58.2	-70.4	0	0	0	113.9	Y162 A171 W186 E187 P193 E194 T197 I209 L230	Y162-F191 HydrophobicContact CD1-CD1 4.16Å; Y162-F191 AromaticContact CD1-CE1 3.82Å; Y162-F191 HydrophobicContact CD1-CE1 3.82Å; Y162-F191 AromaticContact CE1-CD1 3.59Å; Y162-F191 HydrophobicContact CE1-CD1 3.59Å; Y162-F191 AromaticContact CE1-CE1 3.66Å; Y162-F191 HydrophobicContact CE1-CE1 3.66Å; A171-F191 HydrophobicContact CB-CE2 4.26Å; A171-F191 HydrophobicContact CB-CZ 3.86Å; W186-F191 HydrophobicContact CB-CB 4.36Å; W186-F191 HydrophobicContact CB-CD2 3.63Å; W186-F191 HydrophobicContact CB-CE2 4.23Å; W186-F191 HydrophobicContact CB-CG 4.2Å; W186-F191 HydrophobicContact CG-CD2 4.34Å; E187-F191 HydrophobicContact CB-CD2 4.42Å; E187-F191 VanDerWaalsContact O-CD2 3.31Å; E187-F191 WeakPolarHBondContact O-CD2 3.19Å; E187-F191 PolarHBondContact O-N 2.99Å; F191-P193 VanDerWaalsContact O-CD 3.25Å; F191-P193 WeakPolarHBondContact O-CD 3.37Å; F191-E194 HydrophobicContact CB-CB 3.87Å; F191-E194 WeakPolarHBondContact O-CB 3.45Å; F191-E194 PolarHBondContact O-N 2.5Å; F191-T197 HydrophobicContact CB-CG2 4.01Å; F191-I209 HydrophobicContact CD1-CG1 4.15Å; F191-I209 HydrophobicContact CE1-CD1 4.1Å; F191-I209 HydrophobicContact CE1-CG1 3.8Å; F191-I209 HydrophobicContact CE1-CG2 4.34Å; F191-I209 HydrophobicContact CZ-CG2 4.44Å; F191-L230 HydrophobicContact CB-CD2 4.35Å; F191-L230 HydrophobicContact CD1-CD2 4.15Å
192	G	94.6	Very high	92	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-105.7	167.3	0	0	0	0	0	113.5	K188 T197	K188-G192 PolarHBondContact NZ-O 3.37Å; K188-G192 WeakPolarHBondContact O-CA 3.27Å; K188-G192 PolarHBondContact O-N 3.07Å; G192-T197 PolarHBondContact O-OG1 2.86Å
193	P	94.5	Very high	92.2	Very high	24 Å²	24	21.5 Å²	21.5	16%	0.156	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.5	-179.4	37.2	-37.3	0	0	0	114.7	F191 S201 A204 P205 L230 W232	F191-P193 VanDerWaalsContact O-CD 3.25Å; F191-P193 WeakPolarHBondContact O-CD 3.37Å; P193-S201 WeakPolarHBondContact CA-OG 3.35Å; P193-A204 WeakPolarHBondContact O-CA 3.22Å; P193-P205 WeakPolarHBondContact O-CD 3.42Å; P193-L230 HydrophobicContact CG-CD1 3.91Å; P193-W232 VanDerWaalsContact CD-CB 3.45Å; P193-W232 HydrophobicContact CG-CB 4.18Å
194	E	97.1	Very high	92.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.103	C	C	.	.			trans	-51.9	143.4	-177.9	-149	-79	164.2	0	0	112.5	W186 F191 M196 T197 S207 T210 L230	W186-E194 VanDerWaalsContact CD1-OE2 3.28Å; F191-E194 HydrophobicContact CB-CB 3.87Å; F191-E194 WeakPolarHBondContact O-CB 3.45Å; F191-E194 PolarHBondContact O-N 2.5Å; E194-M196 PolarHBondContact O-N 3.19Å; E194-M196 VanDerWaalsContact O-N 3.12Å; E194-M196 PolarHBondContact OE2-N 3.49Å; E194-T197 HydrophobicContact CB-CG2 4.07Å; E194-T197 PolarHBondContact O-N 3.21Å; E194-T197 VanDerWaalsContact O-N 3.08Å; E194-T197 PolarHBondContact O-OG1 2.82Å; E194-S207 VanDerWaalsContact CD-OG 3.24Å; E194-S207 WeakPolarHBondContact CG-OG 3.5Å; E194-S207 VanDerWaalsContact OE1-CB 3.25Å; E194-S207 WeakPolarHBondContact OE1-CB 3.37Å; E194-S207 PolarHBondContact OE1-N 2.89Å; E194-S207 PolarHBondContact OE1-OG 3.36Å; E194-T210 VanDerWaalsContact CD-OG1 3.25Å; E194-T210 WeakPolarHBondContact OE1-CB 3.47Å; E194-T210 PolarHBondContact OE1-OG1 2.71Å; E194-T210 PolarHBondContact OE2-OG1 3.19Å; E194-T210 VanDerWaalsContact OE2-OG1 3.12Å; E194-L230 HydrophobicContact CB-CD1 4.12Å; E194-L230 HydrophobicContact CB-CD2 3.87Å; E194-L230 HydrophobicContact CG-CD1 4.4Å; E194-L230 HydrophobicContact CG-CD2 3.67Å
195	L	96.4	Very high	92.6	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.031	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.8	-46.3	-176	177.9	68.4	0	0	0	113.5	I97 H98 M101 T197 A204 P205 F206	I97-L195 HydrophobicContact CB-CD1 4.43Å; I97-L195 HydrophobicContact CG2-CD1 4.17Å; I97-L195 HydrophobicContact CG2-CD2 3.78Å; H98-L195 HydrophobicContact CB-CD1 4.15Å; H98-L195 PolarHBondContact ND1-O 3.35Å; M101-L195 HydrophobicContact CG-CD2 4.02Å; L195-T197 PolarHBondContact O-N 2.97Å; L195-A204 HydrophobicContact CD1-CB 4.27Å; L195-P205 WeakPolarHBondContact CB-O 3.34Å; L195-P205 PolarHBondContact N-O 3.18Å; L195-P205 VanDerWaalsContact N-O 3.08Å; L195-F206 HydrophobicContact CD2-CB 4.24Å; L195-F206 HydrophobicContact CD2-CD2 3.82Å
196	M	96.5	Very high	92.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	28.3	-173.7	-63.7	-52.3	-57.3	0	0	113.8	H98 M101 F106 H185 W186 E194 T210	H98-M196 HydrophobicContact CB-SD 4.41Å; M101-M196 HydrophobicContact CB-CE 3.93Å; M101-M196 HydrophobicContact CB-CG 4.27Å; M101-M196 HydrophobicContact CB-SD 3.32Å; M101-M196 WeakPolarHBondContact CB-SD 2.98Å; M101-M196 HydrophobicContact CG-SD 3.84Å; F106-M196 HydrophobicContact CB-CE 3.83Å; F106-M196 HydrophobicContact CD2-CB 3.83Å; F106-M196 HydrophobicContact CD2-CE 3.81Å; F106-M196 HydrophobicContact CD2-CG 3.9Å; F106-M196 HydrophobicContact CE2-CB 3.79Å; F106-M196 HydrophobicContact CE2-CG 4.35Å; F106-M196 HydrophobicContact CG-CE 3.95Å; H185-M196 CarbonylContact C-O 3.18Å; H185-M196 WeakPolarHBondContact CA-O 3.35Å; H185-M196 VanDerWaalsContact CB-O 3.28Å; H185-M196 WeakPolarHBondContact CB-O 3.32Å; W186-M196 HydrophobicContact CG-CB 4.39Å; W186-M196 PolarHBondContact N-O 3.07Å; E194-M196 PolarHBondContact O-N 3.19Å; E194-M196 VanDerWaalsContact O-N 3.12Å; E194-M196 PolarHBondContact OE2-N 3.49Å; M196-T210 HydrophobicContact CG-CG2 3.72Å
197	T	95.1	Very high	92.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-86	149.7	166.6	58.1	0	0	0	0	111	H98 W186 K188 F191 G192 E194 L195 V199	H98-T197 PolarHBondContact CE1-O 3.46Å; W186-T197 HydrophobicContact CB-CG2 4.41Å; K188-T197 HydrophobicContact CB-CG2 4.25Å; K188-T197 HydrophobicContact CG-CG2 4.28Å; F191-T197 HydrophobicContact CB-CG2 4.01Å; G192-T197 PolarHBondContact O-OG1 2.86Å; E194-T197 HydrophobicContact CB-CG2 4.07Å; E194-T197 PolarHBondContact O-N 3.21Å; E194-T197 VanDerWaalsContact O-N 3.08Å; E194-T197 PolarHBondContact O-OG1 2.82Å; L195-T197 PolarHBondContact O-N 2.97Å; T197-V199 PolarHBondContact O-N 3.48Å; T197-V199 PolarHBondContact OG1-O 3Å
198	G	87.5	Confident	92.7	Very high	23 Å²	23	18.5 Å²	18.5	24%	0.237	12%	0.118	C	C	.	.	S	Bend	trans	-67.8	-6.8	-170	0	0	0	0	0	116.6
199	V	84.3	Confident	92.9	Very high	66 Å²	66	18.3 Å²	18.3	40%	0.4	12%	0.117	S	C	.	.	S	Bend	trans	-130.6	119.8	169.7	168.8	0	0	0	0	108.5	K188 T197 S201 L330	K188-V199 HydrophobicContact CD-CB 4.24Å; K188-V199 PolarHBondContact NZ-O 3.27Å; T197-V199 PolarHBondContact O-N 3.48Å; T197-V199 PolarHBondContact OG1-O 3Å; V199-S201 PolarHBondContact O-N 3.16Å; V199-L330 HydrophobicContact CB-CD1 4.38Å; V199-L330 HydrophobicContact CG2-CD1 3.66Å
200	Q	81.5	Confident	93	Very high	62 Å²	62	18.3 Å²	18.3	29%	0.29	12%	0.117	S	C	.	.			trans	-59.5	136.5	-179.5	-169.6	-176.9	30.8	0	0	111.9	S91 S94 T95	S91-Q200 PolarHBondContact O-NE2 2.99Å; S94-Q200 PolarHBondContact OG-NE2 2.92Å; T95-Q200 VanDerWaalsContact OG1-CD 3.28Å; T95-Q200 PolarHBondContact OG1-NE2 2.83Å; T95-Q200 VanDerWaalsContact OG1-NE2 3.08Å; T95-Q200 PolarHBondContact OG1-OE1 2.94Å
201	S	86	Confident	93.1	Very high	21 Å²	21	18.4 Å²	18.4	15%	0.147	12%	0.119	C	C	.	.			trans	-111	153.8	174.1	-57.4	0	0	0	0	110.4	K188 P193 V199 T203 A204	K188-S201 PolarHBondContact NZ-OG 2.83Å; P193-S201 WeakPolarHBondContact CA-OG 3.35Å; V199-S201 PolarHBondContact O-N 3.16Å; S201-T203 PolarHBondContact O-N 3.48Å; S201-T203 VanDerWaalsContact O-N 3.1Å; S201-A204 WeakPolarHBondContact O-CB 3.38Å; S201-A204 PolarHBondContact O-N 3.26Å
202	P	82.6	Confident	93.2	Very high	24 Å²	24	18.6 Å²	18.6	16%	0.156	12%	0.121	C	C	.	.	S	Bend	trans	-62.4	-26.3	-172.1	-22.7	32	0	0	0	115.3	I339 Q341 D351	P202-I339 HydrophobicContact CB-CD1 4.37Å; P202-I339 HydrophobicContact CG-CD1 4.38Å; P202-Q341 HydrophobicContact CG-CG 4.19Å; P202-D351 HydrophobicContact CB-CB 3.73Å
203	T	87.4	Confident	93.3	Very high	57 Å²	57	18.5 Å²	18.5	35%	0.35	12%	0.119	S	C	.	.	S	Bend	trans	-89.6	-31.2	177.1	53.6	0	0	0	0	114	S201 P205 I339 I353	S201-T203 PolarHBondContact O-N 3.48Å; S201-T203 VanDerWaalsContact O-N 3.1Å; T203-P205 VanDerWaalsContact C-CD 3.48Å; T203-P205 WeakPolarHBondContact O-CD 3.25Å; T203-I339 HydrophobicContact CG2-CD1 3.73Å; T203-I353 HydrophobicContact CG2-CD1 3.94Å
204	A	92.9	Very high	93.5	Very high	8 Å²	8	17.8 Å²	17.8	7%	0.066	12%	0.115	C	C	.	.			trans	31.8	53.9	177.5	0	0	0	0	0	117.3	S94 P193 L195 S201 F206	S94-A204 WeakPolarHBondContact OG-CB 3Å; P193-A204 WeakPolarHBondContact O-CA 3.22Å; L195-A204 HydrophobicContact CD1-CB 4.27Å; S201-A204 WeakPolarHBondContact O-CB 3.38Å; S201-A204 PolarHBondContact O-N 3.26Å; A204-F206 PolarHBondContact O-N 2.83Å
205	P	95	Very high	93.5	Very high	11 Å²	11	20.8 Å²	20.8	7%	0.071	13%	0.128	C	C	.	.			trans	-62.2	133.7	-174	25.9	-36.6	0	0	0	111.8	P193 L195 T203 S207 E228 L230	P193-P205 WeakPolarHBondContact O-CD 3.42Å; L195-P205 WeakPolarHBondContact CB-O 3.34Å; L195-P205 PolarHBondContact N-O 3.18Å; L195-P205 VanDerWaalsContact N-O 3.08Å; T203-P205 VanDerWaalsContact C-CD 3.48Å; T203-P205 WeakPolarHBondContact O-CD 3.25Å; P205-S207 PolarHBondContact O-N 2.84Å; P205-E228 WeakPolarHBondContact CA-OE2 3.47Å; P205-E228 HydrophobicContact CB-CB 3.72Å; P205-L230 HydrophobicContact CG-CD1 3.74Å
206	F	96.9	Very high	93.6	Very high	25 Å²	25	20.5 Å²	20.5	11%	0.11	13%	0.127	C	C	.	.			trans	-72.9	92.9	166.3	175	-106.1	0	0	0	109.1	M101 L195 A204 T210 A211 L214 V222 V227 E228	M101-F206 HydrophobicContact CE-CD2 4.35Å; M101-F206 HydrophobicContact CE-CE2 3.97Å; M101-F206 HydrophobicContact SD-CE2 4.24Å; L195-F206 HydrophobicContact CD2-CB 4.24Å; L195-F206 HydrophobicContact CD2-CD2 3.82Å; A204-F206 PolarHBondContact O-N 2.83Å; F206-T210 HydrophobicContact CD2-CG2 4.01Å; F206-T210 HydrophobicContact CE2-CG2 3.7Å; F206-A211 HydrophobicContact CE1-CB 3.96Å; F206-A211 HydrophobicContact CZ-CB 3.88Å; F206-L214 HydrophobicContact CE2-CD1 3.6Å; F206-L214 HydrophobicContact CZ-CD1 3.48Å; F206-L214 VanDerWaalsContact CZ-CD1 3.48Å; F206-V222 HydrophobicContact CE1-CG1 3.97Å; F206-V222 HydrophobicContact CZ-CG1 4.26Å; F206-V227 HydrophobicContact CE1-CG2 4.2Å; F206-E228 PolarHBondContact N-OE2 2.63Å; F206-E228 PolarHBondContact O-N 2.72Å
207	S	97.9	Very high	93.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.014	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-85.2	171.1	-169.4	79.8	0	0	0	0	113.5	E194 P205 I209 T210 A211	E194-S207 VanDerWaalsContact CD-OG 3.24Å; E194-S207 WeakPolarHBondContact CG-OG 3.5Å; E194-S207 VanDerWaalsContact OE1-CB 3.25Å; E194-S207 WeakPolarHBondContact OE1-CB 3.37Å; E194-S207 PolarHBondContact OE1-N 2.89Å; E194-S207 PolarHBondContact OE1-OG 3.36Å; P205-S207 PolarHBondContact O-N 2.84Å; S207-I209 PolarHBondContact O-N 3.24Å; S207-I209 VanDerWaalsContact O-N 3.1Å; S207-I209 WeakPolarHBondContact OG-CB 3.18Å; S207-I209 PolarHBondContact OG-N 2.89Å; S207-I209 VanDerWaalsContact OG-N 3.12Å; S207-T210 PolarHBondContact O-N 2.98Å; S207-A211 WeakPolarHBondContact O-CB 2.96Å; S207-A211 PolarHBondContact O-N 3.38Å
208	A	97.9	Very high	93.7	Very high	45 Å²	45	22.4 Å²	22.4	37%	0.372	15%	0.147	S	C	.	.	H	α-helix	trans	-56.2	-23.2	170.9	0	0	0	0	0	113.4	A212 V227	A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3.42Å; A208-V227 HydrophobicContact CB-CG1 4Å; A208-V227 VanDerWaalsContact N-CG1 3.35Å
209	I	98	Very high	94.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-72	-50.8	179.3	-50.9	-60.8	0	0	0	110.6	A158 A159 A171 W186 F191 S207 A212 L213	A158-I209 VanDerWaalsContact C-CD1 3.46Å; A158-I209 HydrophobicContact CB-CD1 3.83Å; A159-I209 HydrophobicContact CB-CD1 4.25Å; A171-I209 HydrophobicContact CB-CG2 3.81Å; W186-I209 HydrophobicContact CD2-CG2 4.09Å; W186-I209 HydrophobicContact CH2-CG2 4.29Å; W186-I209 HydrophobicContact CZ2-CG2 3.75Å; F191-I209 HydrophobicContact CD1-CG1 4.15Å; F191-I209 HydrophobicContact CE1-CD1 4.1Å; F191-I209 HydrophobicContact CE1-CG1 3.8Å; F191-I209 HydrophobicContact CE1-CG2 4.34Å; F191-I209 HydrophobicContact CZ-CG2 4.44Å; S207-I209 PolarHBondContact O-N 3.24Å; S207-I209 VanDerWaalsContact O-N 3.1Å; S207-I209 WeakPolarHBondContact OG-CB 3.18Å; S207-I209 PolarHBondContact OG-N 2.89Å; S207-I209 VanDerWaalsContact OG-N 3.12Å; I209-A212 PolarHBondContact O-N 3.33Å; I209-L213 PolarHBondContact O-N 3.18Å; I209-L213 VanDerWaalsContact O-N 3.12Å
210	T	98.3	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.3	-37.9	177.2	-59.4	0	0	0	0	111.3	M101 W186 E194 M196 F206 S207 A212 L213 L214	M101-T210 HydrophobicContact CG-CG2 4.4Å; M101-T210 HydrophobicContact SD-CG2 4.15Å; W186-T210 PolarHBondContact NE1-OG1 2.79Å; E194-T210 VanDerWaalsContact CD-OG1 3.25Å; E194-T210 WeakPolarHBondContact OE1-CB 3.47Å; E194-T210 PolarHBondContact OE1-OG1 2.71Å; E194-T210 PolarHBondContact OE2-OG1 3.19Å; E194-T210 VanDerWaalsContact OE2-OG1 3.12Å; M196-T210 HydrophobicContact CG-CG2 3.72Å; F206-T210 HydrophobicContact CD2-CG2 4.01Å; F206-T210 HydrophobicContact CE2-CG2 3.7Å; S207-T210 PolarHBondContact O-N 2.98Å; T210-A212 VanDerWaalsContact C-N 3.33Å; T210-A212 PolarHBondContact O-N 3.25Å; T210-L213 WeakPolarHBondContact O-CB 3.48Å; T210-L213 PolarHBondContact O-N 3.41Å; T210-L214 PolarHBondContact O-N 2.84Å
211	A	98.4	Very high	95.3	Very high	6 Å²	6	24.8 Å²	24.8	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-44.3	171.4	0	0	0	0	0	112.2	F206 S207 L213 L214 E215 V222 V227	F206-A211 HydrophobicContact CE1-CB 3.96Å; F206-A211 HydrophobicContact CZ-CB 3.88Å; S207-A211 WeakPolarHBondContact O-CB 2.96Å; S207-A211 PolarHBondContact O-N 3.38Å; A211-L213 VanDerWaalsContact C-N 3.3Å; A211-L213 PolarHBondContact O-N 3.1Å; A211-L214 WeakPolarHBondContact O-CB 3.4Å; A211-L214 PolarHBondContact O-N 2.96Å; A211-E215 PolarHBondContact O-N 3.37Å; A211-E215 VanDerWaalsContact O-N 3.13Å; A211-V222 HydrophobicContact CB-CB 4.4Å; A211-V222 HydrophobicContact CB-CG1 3.94Å; A211-V222 HydrophobicContact CB-CG2 4.26Å; A211-V227 HydrophobicContact CB-CG2 3.81Å
212	A	98.2	Very high	95.8	Very high	6 Å²	6	25.2 Å²	25.2	5%	0.05	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-34.7	177.7	0	0	0	0	0	112.7	R154 V155 A158 A208 I209 T210 E215 D216	R154-A212 HydrophobicContact CB-CB 3.82Å; V155-A212 HydrophobicContact CG2-CB 4.04Å; A158-A212 HydrophobicContact CB-CB 3.89Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3.42Å; I209-A212 PolarHBondContact O-N 3.33Å; T210-A212 VanDerWaalsContact C-N 3.33Å; T210-A212 PolarHBondContact O-N 3.25Å; A212-E215 PolarHBondContact O-N 3.19Å; A212-D216 WeakPolarHBondContact O-CB 3.38Å; A212-D216 PolarHBondContact O-N 3.09Å
213	L	98	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-40.9	174.7	-174.3	72.3	0	0	0	111.7	V105 F106 F112 F115 V150 V155 W186 I209 T210 A211 E215 D216 S217	V105-L213 HydrophobicContact CB-CD2 4.33Å; V105-L213 HydrophobicContact CB-CG 4.31Å; V105-L213 HydrophobicContact CG2-CD2 3.95Å; V105-L213 HydrophobicContact CG2-CG 4.16Å; F106-L213 HydrophobicContact CB-CD2 4.32Å; F106-L213 HydrophobicContact CD2-CD2 3.62Å; F106-L213 HydrophobicContact CE2-CD2 4.06Å; F106-L213 HydrophobicContact CG-CD2 3.97Å; F112-L213 HydrophobicContact CE1-CD1 4.05Å; F112-L213 HydrophobicContact CE1-CD2 4.13Å; F112-L213 HydrophobicContact CZ-CD1 4.13Å; F112-L213 HydrophobicContact CZ-CD2 4.19Å; F115-L213 HydrophobicContact CE2-CD1 3.63Å; F115-L213 HydrophobicContact CE2-CG 4.31Å; F115-L213 HydrophobicContact CZ-CD1 4.03Å; F115-L213 HydrophobicContact CZ-CG 4.33Å; V150-L213 HydrophobicContact CG1-CD1 3.95Å; V155-L213 HydrophobicContact CG2-CB 3.93Å; V155-L213 HydrophobicContact CG2-CD1 4.08Å; W186-L213 HydrophobicContact CH2-CB 4.4Å; W186-L213 HydrophobicContact CH2-CD1 4.16Å; W186-L213 HydrophobicContact CH2-CD2 4.09Å; W186-L213 HydrophobicContact CH2-CG 4.46Å; W186-L213 HydrophobicContact CZ2-CB 4Å; W186-L213 HydrophobicContact CZ2-CD2 3.8Å; W186-L213 HydrophobicContact CZ2-CG 4.33Å; I209-L213 PolarHBondContact O-N 3.18Å; I209-L213 VanDerWaalsContact O-N 3.12Å; T210-L213 WeakPolarHBondContact O-CB 3.48Å; T210-L213 PolarHBondContact O-N 3.41Å; A211-L213 VanDerWaalsContact C-N 3.3Å; A211-L213 PolarHBondContact O-N 3.1Å; L213-E215 VanDerWaalsContact C-N 3.32Å; L213-E215 PolarHBondContact O-N 3.3Å; L213-D216 PolarHBondContact O-N 2.91Å; L213-S217 PolarHBondContact O-N 3.31Å
214	L	97.9	Very high	96.8	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.052	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-46.3	173.1	-79.8	158.9	0	0	0	111.6	M101 L104 V105 F206 T210 A211 S217 Y220 V222	M101-L214 HydrophobicContact CE-CD1 4.28Å; M101-L214 HydrophobicContact SD-CD1 3.93Å; M101-L214 HydrophobicContact SD-CD2 4.34Å; M101-L214 HydrophobicContact SD-CG 4.4Å; L104-L214 HydrophobicContact CB-CD2 4.09Å; L104-L214 HydrophobicContact CD1-CD2 4.25Å; V105-L214 HydrophobicContact CB-CD2 4.47Å; V105-L214 HydrophobicContact CG1-CD2 3.84Å; V105-L214 HydrophobicContact CG1-CG 4.42Å; V105-L214 HydrophobicContact CG2-CD2 3.8Å; V105-L214 HydrophobicContact CG2-CG 3.92Å; F206-L214 HydrophobicContact CE2-CD1 3.6Å; F206-L214 HydrophobicContact CZ-CD1 3.48Å; F206-L214 VanDerWaalsContact CZ-CD1 3.48Å; T210-L214 PolarHBondContact O-N 2.84Å; A211-L214 WeakPolarHBondContact O-CB 3.4Å; A211-L214 PolarHBondContact O-N 2.96Å; L214-S217 WeakPolarHBondContact O-CB 3.38Å; L214-S217 PolarHBondContact O-N 3.03Å; L214-S217 PolarHBondContact O-OG 2.92Å; L214-Y220 HydrophobicContact CD2-CD2 3.54Å; L214-Y220 HydrophobicContact CD2-CE2 4.05Å; L214-Y220 HydrophobicContact CD2-CG 4.07Å; L214-V222 HydrophobicContact CB-CG2 3.76Å; L214-V222 HydrophobicContact CD1-CG2 4.07Å
215	E	97.4	Very high	97	Very high	63 Å²	63	34.9 Å²	34.9	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-72.1	-41.3	179.6	-64.1	-167.9	143.8	0	0	113.1	R154 A211 A212 L213 S217 G218 V222	R154-E215 WeakPolarHBondContact CD-OE2 3.39Å; R154-E215 IonicContact NE-OE2 3.55Å; R154-E215 PolarHBondContact NE-OE2 2.89Å; R154-E215 VanDerWaalsContact NE-OE2 3.17Å; A211-E215 PolarHBondContact O-N 3.37Å; A211-E215 VanDerWaalsContact O-N 3.13Å; A212-E215 PolarHBondContact O-N 3.19Å; L213-E215 VanDerWaalsContact C-N 3.32Å; L213-E215 PolarHBondContact O-N 3.3Å; E215-S217 PolarHBondContact O-N 3.5Å; E215-G218 PolarHBondContact O-N 2.67Å; E215-G218 VanDerWaalsContact O-N 3.09Å; E215-V222 HydrophobicContact CG-CB 4.27Å; E215-V222 HydrophobicContact CG-CG2 3.9Å; E215-V222 PolarHBondContact OE1-N 3.42Å
216	D	97.5	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.9	-10.2	176.7	-82.5	-16.6	0	0	0	113.3	F115 Y123 S152 R154 V155 A212 L213 G218	F115-D216 WeakPolarHBondContact CD2-O 3.2Å; Y123-D216 VanDerWaalsContact CE2-O 3.3Å; Y123-D216 WeakPolarHBondContact CE2-O 3.47Å; Y123-D216 PolarHBondContact OH-O 3.17Å; S152-D216 WeakPolarHBondContact CB-OD2 3.4Å; S152-D216 WeakPolarHBondContact OG-CB 3.47Å; S152-D216 PolarHBondContact OG-OD2 2.9Å; R154-D216 WeakPolarHBondContact CA-OD2 3.35Å; R154-D216 VanDerWaalsContact CB-OD1 3.28Å; R154-D216 WeakPolarHBondContact CB-OD1 3.47Å; R154-D216 WeakPolarHBondContact CB-OD2 3.48Å; R154-D216 VanDerWaalsContact CG-OD1 3.22Å; R154-D216 WeakPolarHBondContact CG-OD1 3.04Å; R154-D216 PolarHBondContact N-OD1 3.38Å; R154-D216 VanDerWaalsContact N-OD1 3.15Å; R154-D216 PolarHBondContact N-OD2 3.32Å; R154-D216 IonicContact NH1-OD1 3.1Å; V155-D216 PolarHBondContact N-OD2 2.87Å; A212-D216 WeakPolarHBondContact O-CB 3.38Å; A212-D216 PolarHBondContact O-N 3.09Å; L213-D216 PolarHBondContact O-N 2.91Å; D216-G218 PolarHBondContact O-N 2.91Å
217	S	97.3	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.5	169.1	75	0	0	0	0	112.9	R116 L213 L214 E215 W219	R116-S217 PolarHBondContact N-O 3.38Å; L213-S217 PolarHBondContact O-N 3.31Å; L214-S217 WeakPolarHBondContact O-CB 3.38Å; L214-S217 PolarHBondContact O-N 3.03Å; L214-S217 PolarHBondContact O-OG 2.92Å; E215-S217 PolarHBondContact O-N 3.5Å; S217-W219 WeakPolarHBondContact OG-CB 3.24Å; S217-W219 PolarHBondContact OG-N 3.25Å; S217-W219 VanDerWaalsContact OG-N 3.09Å
218	G	96.7	Very high	96.9	Very high	41 Å²	41	43.9 Å²	43.9	42%	0.423	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	8	-170.8	0	0	0	0	0	113.8	R116 E215 D216	R116-G218 VanDerWaalsContact O-CA 3.32Å; R116-G218 WeakPolarHBondContact O-CA 3.25Å; R116-G218 PolarHBondContact O-N 3.38Å; E215-G218 PolarHBondContact O-N 2.67Å; E215-G218 VanDerWaalsContact O-N 3.09Å; D216-G218 PolarHBondContact O-N 2.91Å
219	W	96	Very high	96.7	Very high	30 Å²	30	45.2 Å²	45.2	11%	0.114	27%	0.272	C	S	.	.	S	Bend	trans	-107	-26.1	-175.7	-59.5	-28.9	0	0	0	114.4	T67 Y68 R69 P70 V105 L111 R114 F115 S217	T67-W219 PolarHBondContact O-NE1 2.83Å; Y68-W219 WeakPolarHBondContact O-CZ2 3.35Å; R69-W219 HydrophobicContact CB-CB 4.29Å; R69-W219 HydrophobicContact CB-CD2 4.01Å; R69-W219 HydrophobicContact CB-CG 3.71Å; R69-W219 HydrophobicContact CG-CB 3.76Å; R69-W219 HydrophobicContact CG-CD2 4.07Å; R69-W219 HydrophobicContact CG-CG 3.68Å; P70-W219 VanDerWaalsContact CD-CE3 3.48Å; P70-W219 VanDerWaalsContact CD-CZ3 3.44Å; P70-W219 HydrophobicContact CG-CE3 4.38Å; P70-W219 HydrophobicContact CG-CZ3 4.05Å; V105-W219 HydrophobicContact CG1-CE3 4.24Å; V105-W219 HydrophobicContact CG1-CZ3 4.43Å; L111-W219 HydrophobicContact CB-CH2 3.96Å; L111-W219 HydrophobicContact CB-CZ3 4.19Å; L111-W219 HydrophobicContact CD1-CZ3 4.27Å; L111-W219 HydrophobicContact CD2-CH2 3.76Å; L111-W219 HydrophobicContact CD2-CZ3 4.03Å; L111-W219 HydrophobicContact CG-CH2 4.33Å; L111-W219 HydrophobicContact CG-CZ3 4.39Å; R114-W219 HydrophobicContact CB-CZ2 4.27Å; F115-W219 AromaticContact CD1-CH2 3.89Å; F115-W219 HydrophobicContact CD1-CH2 3.89Å; F115-W219 HydrophobicContact CD1-CZ2 4.32Å; F115-W219 HydrophobicContact CD1-CZ3 4.2Å; F115-W219 AromaticContact CE1-CH2 3.96Å; F115-W219 HydrophobicContact CE1-CH2 3.96Å; F115-W219 AromaticContact CE1-CZ3 3.88Å; F115-W219 HydrophobicContact CE1-CZ3 3.88Å; S217-W219 WeakPolarHBondContact OG-CB 3.24Å; S217-W219 PolarHBondContact OG-N 3.25Å; S217-W219 VanDerWaalsContact OG-N 3.09Å
220	Y	96.4	Very high	96.5	Very high	56 Å²	56	45.5 Å²	45.5	22%	0.22	27%	0.273	C	S	.	.			trans	-131	154.8	-171.4	-48.9	-72.5	0	0	0	111.2	L104 V105 L214	L104-Y220 HydrophobicContact CB-CE2 4.13Å; L104-Y220 HydrophobicContact CD2-CE1 4.05Å; L104-Y220 HydrophobicContact CD2-CE2 4.47Å; L104-Y220 WeakPolarHBondContact CD2-OH 3.4Å; L104-Y220 WeakPolarHBondContact O-CE2 3.3Å; L104-Y220 PolarHBondContact O-OH 3.38Å; V105-Y220 HydrophobicContact CG1-CD2 3.93Å; V105-Y220 HydrophobicContact CG1-CE2 3.7Å; L214-Y220 HydrophobicContact CD2-CD2 3.54Å; L214-Y220 HydrophobicContact CD2-CE2 4.05Å; L214-Y220 HydrophobicContact CD2-CG 4.07Å
221	S	95.4	Very high	96.3	Very high	115 Å²	115	49.5 Å²	49.5	80%	0.804	29%	0.29	S	S	*	.			trans	-116.8	140.1	164.8	56.3	0	0	0	0	107.8
222	V	96.8	Very high	96	Very high	30 Å²	30	50 Å²	50	18%	0.182	29%	0.291	C	S	.	.			trans	-104.6	130.4	-176.2	179.6	0	0	0	0	109.8	F206 A211 L214 E215 S224 V227	F206-V222 HydrophobicContact CE1-CG1 3.97Å; F206-V222 HydrophobicContact CZ-CG1 4.26Å; A211-V222 HydrophobicContact CB-CB 4.4Å; A211-V222 HydrophobicContact CB-CG1 3.94Å; A211-V222 HydrophobicContact CB-CG2 4.26Å; L214-V222 HydrophobicContact CB-CG2 3.76Å; L214-V222 HydrophobicContact CD1-CG2 4.07Å; E215-V222 HydrophobicContact CG-CB 4.27Å; E215-V222 HydrophobicContact CG-CG2 3.9Å; E215-V222 PolarHBondContact OE1-N 3.42Å; V222-S224 PolarHBondContact O-N 2.92Å; V222-V227 HydrophobicContact CG1-CG2 3.86Å
223	N	96.8	Very high	95.8	Very high	99 Å²	99	49.8 Å²	49.8	53%	0.529	29%	0.289	S	S	.	.			trans	-71.9	110.8	169.3	-179	-7.6	0	0	0	108.9	S225 T226	N223-S225 PolarHBondContact ND2-OG 3.14Å; N223-S225 VanDerWaalsContact ND2-OG 3.14Å; N223-S225 PolarHBondContact O-N 3.08Å; N223-S225 PolarHBondContact OD1-N 2.98Å; N223-S225 VanDerWaalsContact OD1-N 3.13Å; N223-S225 PolarHBondContact OD1-OG 3.3Å; N223-T226 HydrophobicContact CB-CG2 4.36Å; N223-T226 PolarHBondContact O-N 2.69Å; N223-T226 PolarHBondContact O-OG1 3.23Å
224	S	93.2	Very high	95.7	Very high	100 Å²	100	55.1 Å²	55.1	70%	0.699	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-57.6	-24	-176.4	58.8	0	0	0	0	114.2	V222 T226 V227	V222-S224 PolarHBondContact O-N 2.92Å; S224-T226 PolarHBondContact O-N 3.02Å; S224-V227 PolarHBondContact O-N 3.23Å
225	S	96.3	Very high	95.7	Very high	93 Å²	93	57.1 Å²	57.1	65%	0.65	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-67.7	-16.5	176.1	64.6	0	0	0	0	114.4	N223	N223-S225 PolarHBondContact ND2-OG 3.14Å; N223-S225 VanDerWaalsContact ND2-OG 3.14Å; N223-S225 PolarHBondContact O-N 3.08Å; N223-S225 PolarHBondContact OD1-N 2.98Å; N223-S225 VanDerWaalsContact OD1-N 3.13Å; N223-S225 PolarHBondContact OD1-OG 3.3Å
226	T	94.1	Very high	95.6	Very high	77 Å²	77	56.5 Å²	56.5	47%	0.472	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-94.1	-5.8	176.2	68.6	0	0	0	0	113	N223 S224	N223-T226 HydrophobicContact CB-CG2 4.36Å; N223-T226 PolarHBondContact O-N 2.69Å; N223-T226 PolarHBondContact O-OG1 3.23Å; S224-T226 PolarHBondContact O-N 3.02Å
227	V	97.1	Very high	95.6	Very high	47 Å²	47	57.4 Å²	57.4	29%	0.285	34%	0.343	S	S	.	.			trans	-79.8	122.3	-178.7	179.9	0	0	0	0	109.6	F206 A208 A211 V222 S224	F206-V227 HydrophobicContact CE1-CG2 4.2Å; A208-V227 HydrophobicContact CB-CG1 4Å; A208-V227 VanDerWaalsContact N-CG1 3.35Å; A211-V227 HydrophobicContact CB-CG2 3.81Å; V222-V227 HydrophobicContact CG1-CG2 3.86Å; S224-V227 PolarHBondContact O-N 3.23Å
228	E	96.2	Very high	95.6	Very high	102 Å²	102	59.3 Å²	59.3	48%	0.477	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-93.1	151.8	-175.4	-63.6	-179.3	91.4	0	0	112.6	P205 F206 L230	P205-E228 WeakPolarHBondContact CA-OE2 3.47Å; P205-E228 HydrophobicContact CB-CB 3.72Å; F206-E228 PolarHBondContact N-OE2 2.63Å; F206-E228 PolarHBondContact O-N 2.72Å; E228-L230 PolarHBondContact O-N 3.21Å
229	D	94	Very high	95.6	Very high	74 Å²	74	61.9 Å²	61.9	40%	0.396	36%	0.36	S	S	.	.			trans	-77.8	104.1	179.1	-176.5	41.4	0	0	0	111.1	K231 K234 K284	D229-K231 PolarHBondContact O-N 3.13Å; D229-K231 WeakPolarHBondContact OD2-CG 3.18Å; D229-K234 IonicContact OD1-NZ 2.8Å; D229-K234 PolarHBondContact OD1-NZ 3.2Å; D229-K284 IonicContact OD2-NZ 3.51Å
230	L	95.5	Very high	95.6	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.037	36%	0.355	C	S	.	.			trans	-74.9	104	168.2	-177.8	62.7	0	0	0	109.8	Y162 F191 P193 E194 P205 E228 W232 K234	Y162-L230 HydrophobicContact CD2-CD2 4.35Å; Y162-L230 HydrophobicContact CE1-CD2 4.34Å; Y162-L230 HydrophobicContact CE2-CB 3.98Å; Y162-L230 HydrophobicContact CE2-CD2 3.55Å; Y162-L230 HydrophobicContact CE2-CG 3.62Å; Y162-L230 WeakPolarHBondContact CE2-O 3.44Å; Y162-L230 WeakPolarHBondContact OH-CD2 3.21Å; F191-L230 HydrophobicContact CB-CD2 4.35Å; F191-L230 HydrophobicContact CD1-CD2 4.15Å; P193-L230 HydrophobicContact CG-CD1 3.91Å; E194-L230 HydrophobicContact CB-CD1 4.12Å; E194-L230 HydrophobicContact CB-CD2 3.87Å; E194-L230 HydrophobicContact CG-CD1 4.4Å; E194-L230 HydrophobicContact CG-CD2 3.67Å; P205-L230 HydrophobicContact CG-CD1 3.74Å; E228-L230 PolarHBondContact O-N 3.21Å; L230-W232 HydrophobicContact CD1-CB 4.2Å; L230-K234 WeakPolarHBondContact O-CD 3.31Å
231	K	92.6	Very high	95.6	Very high	83 Å²	83	57.9 Å²	57.9	36%	0.361	35%	0.345	S	S	.	.			trans	-84.9	-27.2	-176.1	-58.7	170.3	-163.1	159.2	0	113.9	D229 K284 D286	D229-K231 PolarHBondContact O-N 3.13Å; D229-K231 WeakPolarHBondContact OD2-CG 3.18Å; K231-K284 HydrophobicContact CD-CD 4.07Å; K231-D286 IonicContact NZ-OD2 3.85Å; K231-D286 PolarHBondContact NZ-OD2 2.96Å
232	W	93.3	Very high	95.6	Very high	18 Å²	18	55.3 Å²	55.3	7%	0.068	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	143.3	174.8	-176.1	-94.3	0	0	0	109.2	Y162 R189 P193 L230 K234 P261 M336 W337	Y162-W232 WeakPolarHBondContact CE2-O 3.39Å; Y162-W232 PolarHBondContact OH-O 3.21Å; R189-W232 PolarHBondContact O-NE1 3.19Å; P193-W232 VanDerWaalsContact CD-CB 3.45Å; P193-W232 HydrophobicContact CG-CB 4.18Å; L230-W232 HydrophobicContact CD1-CB 4.2Å; W232-K234 PolarHBondContact O-N 3.32Å; W232-P261 HydrophobicContact CD2-CB 3.75Å; W232-P261 HydrophobicContact CD2-CG 4.19Å; W232-P261 HydrophobicContact CE3-CB 3.67Å; W232-P261 HydrophobicContact CH2-CB 3.55Å; W232-P261 HydrophobicContact CH2-CG 4.28Å; W232-P261 VanDerWaalsContact CH2-O 3.28Å; W232-P261 WeakPolarHBondContact CH2-O 3.45Å; W232-P261 HydrophobicContact CZ2-CB 3.62Å; W232-P261 HydrophobicContact CZ2-CG 3.85Å; W232-P261 HydrophobicContact CZ3-CB 3.56Å; W232-M336 HydrophobicContact CH2-CB 3.8Å; W232-M336 HydrophobicContact CH2-CE 4.03Å; W232-M336 HydrophobicContact CH2-CG 3.76Å; W232-M336 HydrophobicContact CH2-SD 3.97Å; W232-M336 HydrophobicContact CZ2-CB 4.31Å; W232-M336 HydrophobicContact CZ2-CE 3.95Å; W232-M336 HydrophobicContact CZ2-CG 3.77Å; W232-M336 HydrophobicContact CZ2-SD 3.52Å; W232-M336 VanDerWaalsContact CZ2-SD 3.52Å; W232-W337 WeakPolarHBondContact CZ3-O 3.01Å
233	G	93.6	Very high	95.5	Very high	1 Å²	1	57 Å²	57	1%	0.01	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	-9.4	170.5	0	0	0	0	0	118.6	G235 L236 F240	G233-G235 PolarHBondContact O-N 3.1Å; G233-L236 WeakPolarHBondContact O-CG 3.43Å; G233-L236 PolarHBondContact O-N 3.22Å; G233-F240 VanDerWaalsContact CA-CE1 3.47Å
234	K	96	Very high	95.4	Very high	111 Å²	111	52.3 Å²	52.3	48%	0.483	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	125.9	-164.7	-173.5	170.5	177.6	167.2	0	111.5	Y162 D229 L230 W232 L236	Y162-K234 HydrophobicContact CD2-CB 4.1Å; Y162-K234 HydrophobicContact CD2-CG 4.11Å; Y162-K234 HydrophobicContact CE2-CB 3.93Å; Y162-K234 HydrophobicContact CE2-CG 4.45Å; Y162-K234 CarbonylContact O-C 3.6Å; Y162-K234 WeakPolarHBondContact O-CA 3.32Å; D229-K234 IonicContact OD1-NZ 2.8Å; D229-K234 PolarHBondContact OD1-NZ 3.2Å; L230-K234 WeakPolarHBondContact O-CD 3.31Å; W232-K234 PolarHBondContact O-N 3.32Å; K234-L236 VanDerWaalsContact C-N 3.3Å; K234-L236 PolarHBondContact O-N 3.17Å
235	G	96.8	Very high	95.4	Very high	53 Å²	53	47.8 Å²	47.8	55%	0.546	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	19.1	177.5	0	0	0	0	0	115.3	Y162 T163 G233 G237	Y162-G235 PolarHBondContact O-N 2.83Å; T163-G235 CarbonylContact O-C 3.52Å; T163-G235 WeakPolarHBondContact O-CA 3.47Å; G233-G235 PolarHBondContact O-N 3.1Å; G235-G237 VanDerWaalsContact C-N 3.28Å; G235-G237 PolarHBondContact O-N 3.27Å
236	L	96.8	Very high	95.3	Very high	50 Å²	50	44.4 Å²	44.4	26%	0.262	24%	0.239	S	C	.	.			trans	-83	-1	-178.9	-62.5	178.1	0	0	0	114.6	T163 G233 K234 F240 P261	T163-L236 PolarHBondContact O-N 3.1Å; G233-L236 WeakPolarHBondContact O-CG 3.43Å; G233-L236 PolarHBondContact O-N 3.22Å; K234-L236 VanDerWaalsContact C-N 3.3Å; K234-L236 PolarHBondContact O-N 3.17Å; L236-F240 HydrophobicContact CB-CB 3.53Å; L236-F240 HydrophobicContact CB-CD1 4.02Å; L236-F240 HydrophobicContact CB-CD2 4.43Å; L236-F240 HydrophobicContact CB-CG 3.75Å; L236-F240 HydrophobicContact CD1-CB 4.47Å; L236-F240 HydrophobicContact CD1-CD1 4.24Å; L236-F240 HydrophobicContact CD1-CD2 3.84Å; L236-F240 HydrophobicContact CD1-CE1 4.49Å; L236-F240 HydrophobicContact CD1-CE2 4.11Å; L236-F240 HydrophobicContact CD1-CG 3.91Å; L236-F240 HydrophobicContact CD1-CZ 4.44Å; L236-F240 HydrophobicContact CG-CG 4.49Å; L236-P261 HydrophobicContact CD1-CG 4.13Å
237	G	97.3	Very high	95.4	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	23%	0.225	C	C	.	.	H	α-helix	trans	75.2	-177.9	173	0	0	0	0	0	114.5	T163 G235 N239 F240 A241	T163-G237 WeakPolarHBondContact O-CA 3.5Å; T163-G237 PolarHBondContact O-N 3.03Å; G235-G237 VanDerWaalsContact C-N 3.28Å; G235-G237 PolarHBondContact O-N 3.27Å; G237-N239 VanDerWaalsContact C-N 3.26Å; G237-N239 PolarHBondContact O-N 2.82Å; G237-F240 PolarHBondContact O-N 2.85Å; G237-F240 VanDerWaalsContact O-N 3.13Å; G237-A241 PolarHBondContact O-N 2.87Å
238	C	97.3	Very high	95.3	Very high	41 Å²	41	40.8 Å²	40.8	28%	0.277	21%	0.213	S	C	.	.	H	α-helix	trans	-63.2	-28.2	-172.6	-61.5	0	0	0	0	114.4	C165 D167 F240 A241 R242	C165-C238 WeakPolarHBondContact CA-SG 3.06Å; C165-C238 HydrophobicContact CB-CB 3.98Å; C165-C238 WeakPolarHBondContact CB-SG 3.24Å; C165-C238 WeakPolarHBondContact SG-CA 3.19Å; C165-C238 WeakPolarHBondContact SG-CB 3.45Å; C165-C238 CovalentContact SG-SG 2.04Å; C165-C238 PolarHBondContact SG-SG 2.71Å; D167-C238 PolarHBondContact OD1-SG 3.04Å; C238-F240 VanDerWaalsContact C-N 3.3Å; C238-F240 PolarHBondContact O-N 2.77Å; C238-A241 PolarHBondContact O-N 3.27Å; C238-R242 VanDerWaalsContact O-CB 3.28Å; C238-R242 WeakPolarHBondContact O-CB 3.38Å; C238-R242 PolarHBondContact O-N 2.81Å
239	N	95.8	Very high	95.3	Very high	94 Å²	94	36.5 Å²	36.5	50%	0.503	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-37.6	176.9	-76.5	-20	0	0	0	111.8	G237 K243	G237-N239 VanDerWaalsContact C-N 3.26Å; G237-N239 PolarHBondContact O-N 2.82Å; N239-K243 HydrophobicContact CB-CD 4.08Å; N239-K243 VanDerWaalsContact O-CB 3.26Å; N239-K243 WeakPolarHBondContact O-CB 3.44Å; N239-K243 PolarHBondContact O-N 2.94Å; N239-K243 WeakPolarHBondContact OD1-CD 3.47Å; N239-K243 WeakPolarHBondContact OD1-CE 3.46Å; N239-K243 PolarHBondContact OD1-NZ 3.45Å
240	F	96.6	Very high	95.2	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-71.7	-46.7	173.4	173.7	-103.3	0	0	0	111.3	I190 G233 L236 G237 C238 R242 Y248 P261 Y262	I190-F240 HydrophobicContact CD1-CD1 4.28Å; I190-F240 HydrophobicContact CD1-CE1 3.96Å; I190-F240 HydrophobicContact CD1-CZ 4.27Å; I190-F240 WeakPolarHBondContact CD1-O 3.38Å; I190-F240 HydrophobicContact CG2-CE1 4.39Å; G233-F240 VanDerWaalsContact CA-CE1 3.47Å; L236-F240 HydrophobicContact CB-CB 3.53Å; L236-F240 HydrophobicContact CB-CD1 4.02Å; L236-F240 HydrophobicContact CB-CD2 4.43Å; L236-F240 HydrophobicContact CB-CG 3.75Å; L236-F240 HydrophobicContact CD1-CB 4.47Å; L236-F240 HydrophobicContact CD1-CD1 4.24Å; L236-F240 HydrophobicContact CD1-CD2 3.84Å; L236-F240 HydrophobicContact CD1-CE1 4.49Å; L236-F240 HydrophobicContact CD1-CE2 4.11Å; L236-F240 HydrophobicContact CD1-CG 3.91Å; L236-F240 HydrophobicContact CD1-CZ 4.44Å; L236-F240 HydrophobicContact CG-CG 4.49Å; G237-F240 PolarHBondContact O-N 2.85Å; G237-F240 VanDerWaalsContact O-N 3.13Å; C238-F240 VanDerWaalsContact C-N 3.3Å; C238-F240 PolarHBondContact O-N 2.77Å; F240-R242 PolarHBondContact O-N 3.08Å; F240-Y248 HydrophobicContact CB-CD2 3.78Å; F240-Y248 HydrophobicContact CB-CE2 3.59Å; F240-Y248 HydrophobicContact CD2-CD2 4.24Å; F240-Y248 HydrophobicContact CD2-CE2 4.04Å; F240-Y248 HydrophobicContact CG-CE2 4.28Å; F240-P261 HydrophobicContact CE2-CG 3.72Å; F240-P261 HydrophobicContact CZ-CG 4.14Å; F240-Y262 AromaticContact CD2-CE2 3.84Å; F240-Y262 HydrophobicContact CD2-CE2 3.84Å; F240-Y262 AromaticContact CE2-CE2 3.61Å; F240-Y262 HydrophobicContact CE2-CE2 3.61Å; F240-Y262 AromaticContact CE2-CZ 3.75Å; F240-Y262 WeakPolarHBondContact CE2-OH 3.48Å
241	A	96.5	Very high	95.2	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-71.7	-25.1	-172.3	0	0	0	0	0	114.4	T163 C165 L168 G237 C238	T163-A241 HydrophobicContact CG2-CB 3.91Å; C165-A241 HydrophobicContact CB-CB 4.39Å; L168-A241 HydrophobicContact CD1-CB 4.01Å; L168-A241 HydrophobicContact CD2-CB 4.4Å; G237-A241 PolarHBondContact O-N 2.87Å; C238-A241 PolarHBondContact O-N 3.27Å
242	R	95.5	Very high	95.4	Very high	61 Å²	61	37.7 Å²	37.7	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-114.9	-27	-171.5	-63.5	-172.3	158.1	162.3	-6.1	116	D167 L168 E169 C238 F240	D167-R242 VanDerWaalsContact C-NH2 3.27Å; D167-R242 VanDerWaalsContact CG-CZ 3.45Å; D167-R242 PolarHBondContact O-NH2 3.38Å; D167-R242 IonicContact OD1-CZ 2.84Å; D167-R242 VanDerWaalsContact OD1-CZ 3.25Å; D167-R242 IonicContact OD1-NH1 2.63Å; D167-R242 PolarHBondContact OD1-NH1 2.91Å; D167-R242 VanDerWaalsContact OD1-NH1 3.1Å; D167-R242 IonicContact OD1-NH2 3.73Å; D167-R242 PolarHBondContact OD1-NH2 3.17Å; D167-R242 IonicContact OD2-CZ 2.89Å; D167-R242 VanDerWaalsContact OD2-CZ 3.3Å; D167-R242 IonicContact OD2-NH1 2.67Å; D167-R242 PolarHBondContact OD2-NH1 2.91Å; D167-R242 IonicContact OD2-NH2 3.33Å; D167-R242 PolarHBondContact OD2-NH2 3.01Å; D167-R242 VanDerWaalsContact OD2-NH2 3.14Å; L168-R242 HydrophobicContact CD1-CG 4.04Å; E169-R242 IonicContact OE2-CZ 2.72Å; E169-R242 IonicContact OE2-NE 3.58Å; E169-R242 PolarHBondContact OE2-NE 2.89Å; E169-R242 IonicContact OE2-NH2 3.65Å; E169-R242 PolarHBondContact OE2-NH2 3.39Å; C238-R242 VanDerWaalsContact O-CB 3.28Å; C238-R242 WeakPolarHBondContact O-CB 3.38Å; C238-R242 PolarHBondContact O-N 2.81Å; F240-R242 PolarHBondContact O-N 3.08Å
243	K	94.7	Very high	95.6	Very high	64 Å²	64	40.5 Å²	40.5	28%	0.278	24%	0.236	S	C	.	.	S	Bend	trans	-99.3	163.3	-171.1	-54.7	176.8	160.3	-159.2	0	110.5	N239 E247	N239-K243 HydrophobicContact CB-CD 4.08Å; N239-K243 VanDerWaalsContact O-CB 3.26Å; N239-K243 WeakPolarHBondContact O-CB 3.44Å; N239-K243 PolarHBondContact O-N 2.94Å; N239-K243 WeakPolarHBondContact OD1-CD 3.47Å; N239-K243 WeakPolarHBondContact OD1-CE 3.46Å; N239-K243 PolarHBondContact OD1-NZ 3.45Å; K243-E247 HydrophobicContact CB-CB 4.05Å; K243-E247 HydrophobicContact CB-CG 4.37Å; K243-E247 VanDerWaalsContact CD-CD 3.42Å; K243-E247 HydrophobicContact CD-CG 3.97Å; K243-E247 VanDerWaalsContact CD-OE1 3.25Å; K243-E247 WeakPolarHBondContact CD-OE1 3.19Å; K243-E247 WeakPolarHBondContact CE-OE1 3.28Å; K243-E247 IonicContact NZ-OE1 3.36Å; K243-E247 PolarHBondContact NZ-OE1 2.98Å
244	S	94.2	Very high	95.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.014	26%	0.26	C	S	.	.			trans	-62.5	151.6	172	71.3	0	0	0	0	110.7	W135 K136 R246 E247 Y248	W135-S244 VanDerWaalsContact CZ2-CA 3.48Å; K136-S244 WeakPolarHBondContact O-CB 3.4Å; K136-S244 PolarHBondContact O-OG 3.49Å; S244-R246 PolarHBondContact O-N 2.81Å; S244-E247 PolarHBondContact O-N 3.37Å; S244-E247 PolarHBondContact OG-N 2.81Å; S244-Y248 PolarHBondContact O-N 2.91Å
245	C	94	Very high	95.6	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.034	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-29.1	174.9	56.3	0	0	0	0	111.8	Y248 I249 Y262 C334	C245-Y248 PolarHBondContact O-N 3.48Å; C245-I249 HydrophobicContact CB-CD1 4.33Å; C245-I249 VanDerWaalsContact O-CB 3.26Å; C245-I249 WeakPolarHBondContact O-CB 2.81Å; C245-I249 VanDerWaalsContact O-CD1 3.27Å; C245-I249 WeakPolarHBondContact O-CD1 3.48Å; C245-I249 WeakPolarHBondContact O-CG1 3.17Å; C245-I249 PolarHBondContact O-N 3.45Å; C245-Y262 HydrophobicContact CB-CD1 4.13Å; C245-Y262 HydrophobicContact CB-CD2 3.94Å; C245-Y262 HydrophobicContact CB-CE1 3.89Å; C245-Y262 HydrophobicContact CB-CE2 3.65Å; C245-Y262 HydrophobicContact CB-CG 4.17Å; C245-C334 HydrophobicContact CB-CB 3.6Å; C245-C334 WeakPolarHBondContact CB-SG 3.28Å; C245-C334 VanDerWaalsContact SG-CA 3.53Å; C245-C334 WeakPolarHBondContact SG-CB 3.35Å; C245-C334 CovalentContact SG-SG 2.01Å; C245-C334 PolarHBondContact SG-SG 3.44Å
246	R	93.8	Very high	95.4	Very high	22 Å²	22	44.6 Å²	44.6	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-53.8	-56.2	169.1	169.9	66.3	-168.3	-136.1	-6	111.3	K136 S244 Y248 I249 D250 V305 F306 Y307	K136-R246 HydrophobicContact CD-CG 4.21Å; K136-R246 HydrophobicContact CG-CG 4.35Å; S244-R246 PolarHBondContact O-N 2.81Å; R246-Y248 VanDerWaalsContact C-N 3.3Å; R246-Y248 PolarHBondContact O-N 3.32Å; R246-I249 PolarHBondContact O-N 2.85Å; R246-D250 IonicContact CZ-OD1 3.24Å; R246-D250 IonicContact CZ-OD2 3.03Å; R246-D250 VanDerWaalsContact NE-CG 3.25Å; R246-D250 IonicContact NE-OD1 3.12Å; R246-D250 PolarHBondContact NE-OD1 2.97Å; R246-D250 VanDerWaalsContact NE-OD1 3.14Å; R246-D250 IonicContact NE-OD2 3.3Å; R246-D250 PolarHBondContact NE-OD2 3.49Å; R246-D250 IonicContact NH2-OD1 2.67Å; R246-D250 IonicContact NH2-OD2 3.14Å; R246-D250 WeakPolarHBondContact O-CB 3.33Å; R246-D250 PolarHBondContact O-N 3.1Å; R246-V305 WeakPolarHBondContact CD-O 3.47Å; R246-V305 PolarHBondContact NH1-O 2.89Å; R246-F306 VanDerWaalsContact NH1-C 3.25Å; R246-Y307 PolarHBondContact NH1-O 3.1Å; R246-Y307 PolarHBondContact NH2-O 3.41Å
247	E	95.2	Very high	95.3	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-37.1	-176.8	-165.2	179.1	162.3	0	0	111.7	K136 K243 S244 G251	K136-E247 HydrophobicContact CB-CB 3.92Å; K136-E247 HydrophobicContact CB-CG 4.42Å; K136-E247 HydrophobicContact CD-CB 4Å; K136-E247 HydrophobicContact CD-CG 4.07Å; K243-E247 HydrophobicContact CB-CB 4.05Å; K243-E247 HydrophobicContact CB-CG 4.37Å; K243-E247 VanDerWaalsContact CD-CD 3.42Å; K243-E247 HydrophobicContact CD-CG 3.97Å; K243-E247 VanDerWaalsContact CD-OE1 3.25Å; K243-E247 WeakPolarHBondContact CD-OE1 3.19Å; K243-E247 WeakPolarHBondContact CE-OE1 3.28Å; K243-E247 IonicContact NZ-OE1 3.36Å; K243-E247 PolarHBondContact NZ-OE1 2.98Å; S244-E247 PolarHBondContact O-N 3.37Å; S244-E247 PolarHBondContact OG-N 2.81Å; E247-G251 PolarHBondContact O-N 3.08Å
248	Y	95.8	Very high	95.2	Very high	9 Å²	9	45 Å²	45	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-49.9	173.1	177.5	-90.8	0	0	0	111.9	F240 S244 C245 R246 G251 K252 A259 Y260 Y262	F240-Y248 HydrophobicContact CB-CD2 3.78Å; F240-Y248 HydrophobicContact CB-CE2 3.59Å; F240-Y248 HydrophobicContact CD2-CD2 4.24Å; F240-Y248 HydrophobicContact CD2-CE2 4.04Å; F240-Y248 HydrophobicContact CG-CE2 4.28Å; S244-Y248 PolarHBondContact O-N 2.91Å; C245-Y248 PolarHBondContact O-N 3.48Å; R246-Y248 VanDerWaalsContact C-N 3.3Å; R246-Y248 PolarHBondContact O-N 3.32Å; Y248-G251 PolarHBondContact O-N 3.23Å; Y248-K252 HydrophobicContact CE1-CG 4.26Å; Y248-K252 WeakPolarHBondContact O-CG 3.17Å; Y248-K252 WeakPolarHBondContact OH-CE 3.47Å; Y248-K252 PolarHBondContact OH-NZ 2.78Å; Y248-A259 WeakPolarHBondContact CE1-O 3.36Å; Y248-Y260 PolarHBondContact OH-O 3.3Å; Y248-Y262 AromaticContact CD1-CD2 3.52Å; Y248-Y262 HydrophobicContact CD1-CD2 3.52Å; Y248-Y262 AromaticContact CD1-CE2 3.89Å; Y248-Y262 HydrophobicContact CD1-CE2 3.89Å; Y248-Y262 AromaticContact CE1-CD2 3.87Å; Y248-Y262 HydrophobicContact CE1-CD2 3.87Å; Y248-Y262 HydrophobicContact CE1-CE2 4.35Å; Y248-Y262 HydrophobicContact CG-CD2 4.37Å; Y248-Y262 HydrophobicContact CG-CE2 4.32Å
249	I	95.6	Very high	95.2	Very high	11 Å²	11	43 Å²	43	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-43.3	-178.9	-69.1	160.2	0	0	0	110.8	C245 R246 G251 K252 A259 Y262 C263 N264 V305 F306 P335	C245-I249 HydrophobicContact CB-CD1 4.33Å; C245-I249 VanDerWaalsContact O-CB 3.26Å; C245-I249 WeakPolarHBondContact O-CB 2.81Å; C245-I249 VanDerWaalsContact O-CD1 3.27Å; C245-I249 WeakPolarHBondContact O-CD1 3.48Å; C245-I249 WeakPolarHBondContact O-CG1 3.17Å; C245-I249 PolarHBondContact O-N 3.45Å; R246-I249 PolarHBondContact O-N 2.85Å; I249-G251 PolarHBondContact O-N 2.92Å; I249-K252 WeakPolarHBondContact O-CB 3.33Å; I249-K252 PolarHBondContact O-N 2.83Å; I249-A259 HydrophobicContact CB-CB 4.5Å; I249-A259 HydrophobicContact CG1-CB 4.05Å; I249-A259 HydrophobicContact CG2-CB 4.35Å; I249-Y262 HydrophobicContact CD1-CG 4.35Å; I249-Y262 HydrophobicContact CG1-CD2 4.35Å; I249-Y262 HydrophobicContact CG1-CG 4.46Å; I249-C263 WeakPolarHBondContact CD1-O 3.48Å; I249-N264 HydrophobicContact CG2-CB 3.75Å; I249-V305 HydrophobicContact CD1-CG1 3.6Å; I249-F306 HydrophobicContact CD1-CE1 4.22Å; I249-F306 HydrophobicContact CG2-CE1 4.23Å; I249-P335 HydrophobicContact CD1-CG 4.48Å
250	D	93.6	Very high	95.2	Very high	50 Å²	50	41.2 Å²	41.2	27%	0.267	23%	0.229	S	C	.	.	H	α-helix	trans	-58.7	-28.9	176.3	-81.4	-16	0	0	0	112.3	K136 R246 K252 K309	K136-D250 IonicContact NZ-OD2 3.25Å; K136-D250 PolarHBondContact NZ-OD2 3.04Å; R246-D250 IonicContact CZ-OD1 3.24Å; R246-D250 IonicContact CZ-OD2 3.03Å; R246-D250 VanDerWaalsContact NE-CG 3.25Å; R246-D250 IonicContact NE-OD1 3.12Å; R246-D250 PolarHBondContact NE-OD1 2.97Å; R246-D250 VanDerWaalsContact NE-OD1 3.14Å; R246-D250 IonicContact NE-OD2 3.3Å; R246-D250 PolarHBondContact NE-OD2 3.49Å; R246-D250 IonicContact NH2-OD1 2.67Å; R246-D250 IonicContact NH2-OD2 3.14Å; R246-D250 WeakPolarHBondContact O-CB 3.33Å; R246-D250 PolarHBondContact O-N 3.1Å; D250-K252 VanDerWaalsContact C-N 3.28Å; D250-K252 PolarHBondContact O-N 3.08Å; D250-K309 IonicContact OD1-NZ 3.68Å
251	G	94.6	Very high	95.1	Very high	66 Å²	66	41.1 Å²	41.1	68%	0.68	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.1	177	0	0	0	0	0	115	E247 Y248 I249	E247-G251 PolarHBondContact O-N 3.08Å; Y248-G251 PolarHBondContact O-N 3.23Å; I249-G251 PolarHBondContact O-N 2.92Å
252	K	96.4	Very high	95.1	Very high	73 Å²	73	41.1 Å²	41.1	32%	0.317	23%	0.228	S	C	.	.	S	Bend	trans	-106.8	155.9	-179.4	-61.7	-65.3	-175.7	177.7	0	111.4	Y248 I249 D250 A259	Y248-K252 HydrophobicContact CE1-CG 4.26Å; Y248-K252 WeakPolarHBondContact O-CG 3.17Å; Y248-K252 WeakPolarHBondContact OH-CE 3.47Å; Y248-K252 PolarHBondContact OH-NZ 2.78Å; I249-K252 WeakPolarHBondContact O-CB 3.33Å; I249-K252 PolarHBondContact O-N 2.83Å; D250-K252 VanDerWaalsContact C-N 3.28Å; D250-K252 PolarHBondContact O-N 3.08Å; K252-A259 HydrophobicContact CB-CB 4.17Å; K252-A259 HydrophobicContact CG-CB 4.09Å
253	P	96.7	Very high	95.2	Very high	77 Å²	77	38.2 Å²	38.2	50%	0.5	22%	0.217	S	C	.	.			trans	-55	143.2	171.5	-24.3	33.9	0	0	0	111.4	L255 A258	P253-L255 HydrophobicContact CB-CB 4.38Å; P253-L255 HydrophobicContact CB-CD1 4.09Å; P253-L255 HydrophobicContact CB-CG 4.15Å; P253-L255 PolarHBondContact O-N 3.12Å; P253-A258 HydrophobicContact CB-CB 4.19Å; P253-A258 WeakPolarHBondContact O-CB 3.41Å
254	D	93.7	Very high	95.3	Very high	93 Å²	93	35.3 Å²	35.3	50%	0.497	21%	0.205	S	C	.	.	S	Bend	trans	-78.6	57.7	172.9	-166.5	34.4	0	0	0	110.9	R266	D254-R266 WeakPolarHBondContact OD1-CB 3.49Å
255	L	96.3	Very high	95.4	Very high	108 Å²	108	35.7 Å²	35.7	57%	0.565	21%	0.206	S	C	*	.	S	Bend	trans	-122.3	148.8	179.1	-67.1	174.6	0	0	0	109	P253 D257 A258 N264	P253-L255 HydrophobicContact CB-CB 4.38Å; P253-L255 HydrophobicContact CB-CD1 4.09Å; P253-L255 HydrophobicContact CB-CG 4.15Å; P253-L255 PolarHBondContact O-N 3.12Å; L255-D257 PolarHBondContact O-N 3.13Å; L255-A258 HydrophobicContact CB-CB 4.04Å; L255-A258 WeakPolarHBondContact O-CB 3.25Å; L255-A258 PolarHBondContact O-N 3Å; L255-A258 VanDerWaalsContact O-N 3.17Å; L255-N264 PolarHBondContact O-ND2 3.14Å
256	P	93.9	Very high	95.5	Very high	51 Å²	51	39.8 Å²	39.8	33%	0.331	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	139.3	179.7	-17.9	30.8	0	0	0	110.8	A258 R266 D267 I270	P256-A258 PolarHBondContact O-N 3.31Å; P256-A258 VanDerWaalsContact O-N 3.08Å; P256-R266 HydrophobicContact CG-CG 3.97Å; P256-D267 WeakPolarHBondContact CA-OD1 3.41Å; P256-I270 HydrophobicContact CB-CD1 3.62Å; P256-I270 HydrophobicContact CG-CD1 3.38Å
257	D	94.1	Very high	95.7	Very high	44 Å²	44	39 Å²	39	24%	0.235	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	1.2	-179.3	-160.4	37.2	0	0	0	116.3	L255 A259 Y260 D267 R289 W337	L255-D257 PolarHBondContact O-N 3.13Å; D257-A259 PolarHBondContact O-N 1.99Å; D257-Y260 PolarHBondContact O-N 2.84Å; D257-D267 PolarHBondContact N-OD1 2.72Å; D257-D267 PolarHBondContact N-OD2 3.22Å; D257-R289 VanDerWaalsContact CG-NH2 3.28Å; D257-R289 IonicContact OD1-CZ 3.47Å; D257-R289 IonicContact OD1-NH1 2.86Å; D257-R289 PolarHBondContact OD1-NH1 2.88Å; D257-R289 IonicContact OD1-NH2 3.37Å; D257-R289 PolarHBondContact OD1-NH2 2.98Å; D257-R289 IonicContact OD2-CZ 3.67Å; D257-R289 IonicContact OD2-NH1 3.77Å; D257-R289 IonicContact OD2-NH2 2.69Å; D257-R289 PolarHBondContact OD2-NH2 2.84Å; D257-W337 PolarHBondContact OD1-NE1 3.29Å
258	A	96.1	Very high	95.7	Very high	32 Å²	32	38.7 Å²	38.7	26%	0.264	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-18.9	-174.9	0	0	0	0	0	114.3	P253 L255 P256	P253-A258 HydrophobicContact CB-CB 4.19Å; P253-A258 WeakPolarHBondContact O-CB 3.41Å; L255-A258 HydrophobicContact CB-CB 4.04Å; L255-A258 WeakPolarHBondContact O-CB 3.25Å; L255-A258 PolarHBondContact O-N 3Å; L255-A258 VanDerWaalsContact O-N 3.17Å; P256-A258 PolarHBondContact O-N 3.31Å; P256-A258 VanDerWaalsContact O-N 3.08Å
259	A	96.5	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	14.4	178.6	0	0	0	0	0	114.3	Y248 I249 K252 D257 Y262 N264	Y248-A259 WeakPolarHBondContact CE1-O 3.36Å; I249-A259 HydrophobicContact CB-CB 4.5Å; I249-A259 HydrophobicContact CG1-CB 4.05Å; I249-A259 HydrophobicContact CG2-CB 4.35Å; K252-A259 HydrophobicContact CB-CB 4.17Å; K252-A259 HydrophobicContact CG-CB 4.09Å; D257-A259 PolarHBondContact O-N 1.99Å; A259-Y262 CarbonylContact C-O 3.6Å; A259-Y262 CarbonylContact O-C 3.59Å; A259-Y262 WeakPolarHBondContact O-CA 3.43Å; A259-Y262 PolarHBondContact O-N 3.22Å; A259-N264 HydrophobicContact CB-CB 3.89Å
260	Y	95.3	Very high	95.7	Very high	55 Å²	55	40 Å²	40	22%	0.216	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	128.8	175.5	-179.5	-91.1	0	0	0	110.9	Y248 D257 Y262 W337	Y248-Y260 PolarHBondContact OH-O 3.3Å; D257-Y260 PolarHBondContact O-N 2.84Å; Y260-Y262 WeakPolarHBondContact CA-O 3.25Å; Y260-Y262 PolarHBondContact N-O 3.36Å; Y260-W337 AromaticContact CD2-CD1 3.85Å; Y260-W337 HydrophobicContact CD2-CG 4.35Å; Y260-W337 HydrophobicContact CE2-CB 4.48Å
261	P	95.3	Very high	95.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.5	-3.4	19.4	38.8	-40.5	0	0	0	115.6	W232 L236 F240 W337	W232-P261 HydrophobicContact CD2-CB 3.75Å; W232-P261 HydrophobicContact CD2-CG 4.19Å; W232-P261 HydrophobicContact CE3-CB 3.67Å; W232-P261 HydrophobicContact CH2-CB 3.55Å; W232-P261 HydrophobicContact CH2-CG 4.28Å; W232-P261 VanDerWaalsContact CH2-O 3.28Å; W232-P261 WeakPolarHBondContact CH2-O 3.45Å; W232-P261 HydrophobicContact CZ2-CB 3.62Å; W232-P261 HydrophobicContact CZ2-CG 3.85Å; W232-P261 HydrophobicContact CZ3-CB 3.56Å; L236-P261 HydrophobicContact CD1-CG 4.13Å; F240-P261 HydrophobicContact CE2-CG 3.72Å; F240-P261 HydrophobicContact CZ-CG 4.14Å; P261-W337 PolarHBondContact O-N 2.97Å; P261-W337 VanDerWaalsContact O-N 3.13Å
262	Y	96.7	Very high	95.8	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-80.6	163.3	169.9	-55.5	-60.8	0	0	0	111.3	R189 F240 C245 Y248 I249 A259 Y260 C334 P335 M336 W337	R189-Y262 HydrophobicContact CG-CE1 4.32Å; R189-Y262 WeakPolarHBondContact CG-OH 3.49Å; R189-Y262 PolarHBondContact O-OH 2.83Å; F240-Y262 AromaticContact CD2-CE2 3.84Å; F240-Y262 HydrophobicContact CD2-CE2 3.84Å; F240-Y262 AromaticContact CE2-CE2 3.61Å; F240-Y262 HydrophobicContact CE2-CE2 3.61Å; F240-Y262 AromaticContact CE2-CZ 3.75Å; F240-Y262 WeakPolarHBondContact CE2-OH 3.48Å; C245-Y262 HydrophobicContact CB-CD1 4.13Å; C245-Y262 HydrophobicContact CB-CD2 3.94Å; C245-Y262 HydrophobicContact CB-CE1 3.89Å; C245-Y262 HydrophobicContact CB-CE2 3.65Å; C245-Y262 HydrophobicContact CB-CG 4.17Å; Y248-Y262 AromaticContact CD1-CD2 3.52Å; Y248-Y262 HydrophobicContact CD1-CD2 3.52Å; Y248-Y262 AromaticContact CD1-CE2 3.89Å; Y248-Y262 HydrophobicContact CD1-CE2 3.89Å; Y248-Y262 AromaticContact CE1-CD2 3.87Å; Y248-Y262 HydrophobicContact CE1-CD2 3.87Å; Y248-Y262 HydrophobicContact CE1-CE2 4.35Å; Y248-Y262 HydrophobicContact CG-CD2 4.37Å; Y248-Y262 HydrophobicContact CG-CE2 4.32Å; I249-Y262 HydrophobicContact CD1-CG 4.35Å; I249-Y262 HydrophobicContact CG1-CD2 4.35Å; I249-Y262 HydrophobicContact CG1-CG 4.46Å; A259-Y262 CarbonylContact C-O 3.6Å; A259-Y262 CarbonylContact O-C 3.59Å; A259-Y262 WeakPolarHBondContact O-CA 3.43Å; A259-Y262 PolarHBondContact O-N 3.22Å; Y260-Y262 WeakPolarHBondContact CA-O 3.25Å; Y260-Y262 PolarHBondContact N-O 3.36Å; Y262-C334 HydrophobicContact CD1-CB 3.68Å; Y262-C334 HydrophobicContact CE1-CB 3.5Å; Y262-C334 VanDerWaalsContact CE1-CB 3.5Å; Y262-P335 CarbonylContact C-O 3.57Å; Y262-P335 VanDerWaalsContact CA-O 3.24Å; Y262-P335 WeakPolarHBondContact CA-O 3.34Å; Y262-P335 WeakPolarHBondContact CB-O 3.37Å; Y262-M336 HydrophobicContact CD1-CG 3.56Å; Y262-M336 HydrophobicContact CD1-SD 4.47Å; Y262-M336 HydrophobicContact CE1-CG 3.85Å; Y262-M336 HydrophobicContact CE1-SD 4.16Å; Y262-W337 PolarHBondContact O-NE1 3.4Å
263	C	96.7	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.			trans	-92.9	150.7	164.2	-35.8	0	0	0	0	109.3	I249 D267 C291 F293 P335	I249-C263 WeakPolarHBondContact CD1-O 3.48Å; C263-D267 HydrophobicContact CB-CB 4.19Å; C263-C291 HydrophobicContact CB-CB 3.94Å; C263-C291 WeakPolarHBondContact CB-SG 3.15Å; C263-C291 VanDerWaalsContact SG-CA 3.58Å; C263-C291 WeakPolarHBondContact SG-CB 3.46Å; C263-C291 CovalentContact SG-SG 1.99Å; C263-C291 PolarHBondContact SG-SG 3.39Å; C263-F293 HydrophobicContact CB-CE1 3.87Å; C263-F293 HydrophobicContact CB-CZ 3.62Å; C263-P335 HydrophobicContact CB-CB 4.27Å; C263-P335 PolarHBondContact N-O 2.88Å
264	N	96.5	Very high	95.5	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	18%	0.176	C	C	.	.			trans	-107.3	179.5	174.8	65.6	18.5	0	0	0	112.2	I249 L255 A259 R266 D267 Y268 F306	I249-N264 HydrophobicContact CG2-CB 3.75Å; L255-N264 PolarHBondContact O-ND2 3.14Å; A259-N264 HydrophobicContact CB-CB 3.89Å; N264-R266 PolarHBondContact O-N 3.21Å; N264-R266 WeakPolarHBondContact OD1-CB 3.38Å; N264-R266 PolarHBondContact OD1-N 2.59Å; N264-R266 VanDerWaalsContact OD1-N 3.14Å; N264-D267 PolarHBondContact N-OD2 3.29Å; N264-D267 VanDerWaalsContact N-OD2 3.08Å; N264-D267 WeakPolarHBondContact O-CB 3.45Å; N264-D267 PolarHBondContact O-N 3.47Å; N264-D267 PolarHBondContact OD1-N 3.06Å; N264-D267 PolarHBondContact OD1-OD2 2.94Å; N264-D267 VanDerWaalsContact OD1-OD2 3.09Å; N264-Y268 PolarHBondContact O-N 2.94Å; N264-F306 VanDerWaalsContact C-CZ 3.43Å
265	F	96.2	Very high	95.5	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.039	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-32.5	179	-173.5	-115.7	0	0	0	112.1	D267 Y268 V269 F306 K309 E311	F265-D267 VanDerWaalsContact C-N 3.34Å; F265-D267 PolarHBondContact O-N 3.05Å; F265-Y268 HydrophobicContact CD2-CD1 4.02Å; F265-Y268 AromaticContact CE2-CD1 3.74Å; F265-Y268 HydrophobicContact CE2-CD1 3.74Å; F265-Y268 HydrophobicContact CE2-CE1 4.2Å; F265-Y268 WeakPolarHBondContact O-CB 3.47Å; F265-Y268 PolarHBondContact O-N 3.25Å; F265-V269 HydrophobicContact CD1-CG2 4Å; F265-V269 HydrophobicContact CE1-CG2 3.74Å; F265-V269 HydrophobicContact CE2-CG2 4.45Å; F265-V269 HydrophobicContact CG-CG2 4.5Å; F265-V269 HydrophobicContact CZ-CG2 3.98Å; F265-V269 WeakPolarHBondContact O-CG2 3.2Å; F265-V269 PolarHBondContact O-N 3.08Å; F265-F306 HydrophobicContact CB-CD1 4.04Å; F265-F306 HydrophobicContact CB-CE1 4.33Å; F265-F306 HydrophobicContact CB-CG 4.16Å; F265-F306 HydrophobicContact CD2-CB 3.87Å; F265-F306 AromaticContact CD2-CD2 3.97Å; F265-F306 HydrophobicContact CD2-CD2 3.97Å; F265-F306 AromaticContact CD2-CG 3.93Å; F265-F306 HydrophobicContact CD2-CG 3.93Å; F265-F306 HydrophobicContact CG-CG 4.49Å; F265-K309 HydrophobicContact CB-CB 4.48Å; F265-K309 HydrophobicContact CB-CG 4.49Å; F265-K309 HydrophobicContact CD1-CB 3.68Å; F265-K309 HydrophobicContact CD1-CG 4.39Å; F265-K309 HydrophobicContact CD2-CB 3.9Å; F265-K309 HydrophobicContact CE1-CB 3.73Å; F265-K309 HydrophobicContact CE2-CB 3.97Å; F265-K309 HydrophobicContact CG-CB 3.75Å; F265-K309 HydrophobicContact CG-CG 4.27Å; F265-K309 HydrophobicContact CZ-CB 3.89Å; F265-E311 HydrophobicContact CE1-CB 3.96Å; F265-E311 HydrophobicContact CZ-CB 4.28Å
266	R	96.9	Very high	95.3	Very high	92 Å²	92	33.3 Å²	33.3	35%	0.347	16%	0.16	S	C	.	.	H	α-helix	trans	-63.3	-38.8	175.2	-169.4	62.7	177.7	176.1	2.7	112.6	D254 P256 N264 V269 I270 E311	D254-R266 WeakPolarHBondContact OD1-CB 3.49Å; P256-R266 HydrophobicContact CG-CG 3.97Å; N264-R266 PolarHBondContact O-N 3.21Å; N264-R266 WeakPolarHBondContact OD1-CB 3.38Å; N264-R266 PolarHBondContact OD1-N 2.59Å; N264-R266 VanDerWaalsContact OD1-N 3.14Å; R266-V269 PolarHBondContact O-N 3.12Å; R266-I270 HydrophobicContact CG-CD1 4.43Å; R266-I270 WeakPolarHBondContact O-CG1 3.36Å; R266-I270 PolarHBondContact O-N 3.17Å; R266-E311 IonicContact NH1-OE2 3.59Å
267	D	97	Very high	95.2	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.027	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-45	173.3	-65.6	-50.6	0	0	0	110.9	P256 D257 C263 N264 F265 V269 I270 E271 R280 F293	P256-D267 WeakPolarHBondContact CA-OD1 3.41Å; D257-D267 PolarHBondContact N-OD1 2.72Å; D257-D267 PolarHBondContact N-OD2 3.22Å; C263-D267 HydrophobicContact CB-CB 4.19Å; N264-D267 PolarHBondContact N-OD2 3.29Å; N264-D267 VanDerWaalsContact N-OD2 3.08Å; N264-D267 WeakPolarHBondContact O-CB 3.45Å; N264-D267 PolarHBondContact O-N 3.47Å; N264-D267 PolarHBondContact OD1-N 3.06Å; N264-D267 PolarHBondContact OD1-OD2 2.94Å; N264-D267 VanDerWaalsContact OD1-OD2 3.09Å; F265-D267 VanDerWaalsContact C-N 3.34Å; F265-D267 PolarHBondContact O-N 3.05Å; D267-V269 PolarHBondContact O-N 2.83Å; D267-I270 PolarHBondContact O-N 3.44Å; D267-E271 PolarHBondContact O-N 3.02Å; D267-R280 IonicContact OD1-NH2 3.88Å; D267-F293 HydrophobicContact CB-CZ 4.08Å
268	Y	96.4	Very high	95.3	Very high	33 Å²	33	34.1 Å²	34.1	13%	0.129	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-43.4	175.4	172.2	-103.2	0	0	0	112.8	N264 F265 I270 E271 T272 F293 V319 V324	N264-Y268 PolarHBondContact O-N 2.94Å; F265-Y268 HydrophobicContact CD2-CD1 4.02Å; F265-Y268 AromaticContact CE2-CD1 3.74Å; F265-Y268 HydrophobicContact CE2-CD1 3.74Å; F265-Y268 HydrophobicContact CE2-CE1 4.2Å; F265-Y268 WeakPolarHBondContact O-CB 3.47Å; F265-Y268 PolarHBondContact O-N 3.25Å; Y268-I270 VanDerWaalsContact C-N 3.33Å; Y268-I270 PolarHBondContact O-N 3.09Å; Y268-E271 PolarHBondContact O-N 2.7Å; Y268-T272 WeakPolarHBondContact CE2-OG1 3.39Å; Y268-T272 WeakPolarHBondContact O-CB 3.35Å; Y268-T272 PolarHBondContact O-N 2.65Å; Y268-T272 PolarHBondContact O-OG1 2.83Å; Y268-F293 HydrophobicContact CD2-CB 4.35Å; Y268-F293 HydrophobicContact CD2-CD1 4.3Å; Y268-F293 HydrophobicContact CD2-CD2 4.07Å; Y268-F293 HydrophobicContact CD2-CE2 4.42Å; Y268-F293 AromaticContact CD2-CG 3.99Å; Y268-F293 HydrophobicContact CD2-CG 3.99Å; Y268-V319 HydrophobicContact CE1-CB 4.46Å; Y268-V324 HydrophobicContact CD1-CG2 4.29Å; Y268-V324 HydrophobicContact CD2-CG1 3.71Å; Y268-V324 HydrophobicContact CD2-CG2 4.22Å; Y268-V324 HydrophobicContact CE1-CG2 3.75Å; Y268-V324 HydrophobicContact CE2-CB 4.47Å; Y268-V324 HydrophobicContact CE2-CG1 3.9Å; Y268-V324 HydrophobicContact CE2-CG2 3.67Å; Y268-V324 HydrophobicContact CG-CG1 4.07Å; Y268-V324 HydrophobicContact CG-CG2 4.5Å; Y268-V324 VanDerWaalsContact CZ-CG2 3.4Å
269	V	96.7	Very high	95.3	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-45.6	176.7	164.2	0	0	0	0	110.6	F265 R266 D267 T272 N273 E311 L313	F265-V269 HydrophobicContact CD1-CG2 4Å; F265-V269 HydrophobicContact CE1-CG2 3.74Å; F265-V269 HydrophobicContact CE2-CG2 4.45Å; F265-V269 HydrophobicContact CG-CG2 4.5Å; F265-V269 HydrophobicContact CZ-CG2 3.98Å; F265-V269 WeakPolarHBondContact O-CG2 3.2Å; F265-V269 PolarHBondContact O-N 3.08Å; R266-V269 PolarHBondContact O-N 3.12Å; D267-V269 PolarHBondContact O-N 2.83Å; V269-T272 PolarHBondContact O-N 3.26Å; V269-N273 VanDerWaalsContact O-CB 3.25Å; V269-N273 WeakPolarHBondContact O-CB 3.2Å; V269-N273 PolarHBondContact O-N 2.76Å; V269-E311 HydrophobicContact CB-CG 4.5Å; V269-E311 HydrophobicContact CG1-CB 4.48Å; V269-E311 HydrophobicContact CG1-CG 3.78Å; V269-E311 HydrophobicContact CG2-CB 3.67Å; V269-E311 HydrophobicContact CG2-CG 3.83Å; V269-L313 HydrophobicContact CG1-CD2 4.13Å
270	I	95.2	Very high	95.3	Very high	38 Å²	38	34.7 Å²	34.7	20%	0.195	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-50.7	178.8	-73	161.9	0	0	0	111	P256 R266 D267 Y268 T272 N273 I274 K278	P256-I270 HydrophobicContact CB-CD1 3.62Å; P256-I270 HydrophobicContact CG-CD1 3.38Å; R266-I270 HydrophobicContact CG-CD1 4.43Å; R266-I270 WeakPolarHBondContact O-CG1 3.36Å; R266-I270 PolarHBondContact O-N 3.17Å; D267-I270 PolarHBondContact O-N 3.44Å; Y268-I270 VanDerWaalsContact C-N 3.33Å; Y268-I270 PolarHBondContact O-N 3.09Å; I270-T272 VanDerWaalsContact C-N 3.31Å; I270-T272 PolarHBondContact O-N 2.85Å; I270-N273 PolarHBondContact O-N 3.1Å; I270-I274 HydrophobicContact CG2-CD1 4.1Å; I270-I274 VanDerWaalsContact O-CG1 3.32Å; I270-I274 WeakPolarHBondContact O-CG1 3.2Å; I270-I274 PolarHBondContact O-N 2.8Å; I270-I274 VanDerWaalsContact O-N 3.08Å; I270-K278 HydrophobicContact CG2-CB 4.43Å; I270-K278 HydrophobicContact CG2-CG 4.38Å
271	E	95	Very high	95.3	Very high	18 Å²	18	32.2 Å²	32.2	8%	0.084	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-39.8	-179.8	-67.6	-165.6	161.4	0	0	112.1	D267 Y268 R275 L276 K278 F293	D267-E271 PolarHBondContact O-N 3.02Å; Y268-E271 PolarHBondContact O-N 2.7Å; E271-R275 VanDerWaalsContact O-CA 3.29Å; E271-R275 WeakPolarHBondContact O-CA 3.5Å; E271-R275 PolarHBondContact O-N 2.77Å; E271-L276 WeakPolarHBondContact CA-O 3.41Å; E271-L276 WeakPolarHBondContact CB-O 3.34Å; E271-L276 PolarHBondContact O-N 3.3Å; E271-K278 HydrophobicContact CG-CB 3.78Å; E271-K278 PolarHBondContact OE1-N 2.94Å; E271-F293 WeakPolarHBondContact OE2-CD2 3.37Å
272	T	95	Very high	95.3	Very high	28 Å²	28	32.4 Å²	32.4	17%	0.172	15%	0.147	C	C	.	.	H	α-helix	trans	-71.5	-32.8	179.9	-48.7	0	0	0	0	112.6	Y268 V269 I270 L313 R317 V319	Y268-T272 WeakPolarHBondContact CE2-OG1 3.39Å; Y268-T272 WeakPolarHBondContact O-CB 3.35Å; Y268-T272 PolarHBondContact O-N 2.65Å; Y268-T272 PolarHBondContact O-OG1 2.83Å; V269-T272 PolarHBondContact O-N 3.26Å; I270-T272 VanDerWaalsContact C-N 3.31Å; I270-T272 PolarHBondContact O-N 2.85Å; T272-L313 HydrophobicContact CG2-CD1 3.9Å; T272-R317 PolarHBondContact O-NH2 2.72Å; T272-V319 HydrophobicContact CG2-CG1 3.8Å
273	N	94.2	Very high	95	Very high	41 Å²	41	43.2 Å²	43.2	22%	0.219	19%	0.188	C	C	.	.	H	α-helix	trans	-66.9	-49.6	176.1	-166.8	43.4	0	0	0	111	V269 I270 R275 L313 D314	V269-N273 VanDerWaalsContact O-CB 3.25Å; V269-N273 WeakPolarHBondContact O-CB 3.2Å; V269-N273 PolarHBondContact O-N 2.76Å; I270-N273 PolarHBondContact O-N 3.1Å; N273-R275 VanDerWaalsContact C-N 3.33Å; N273-L313 HydrophobicContact CB-CD2 4.26Å; N273-D314 VanDerWaalsContact ND2-CG 3.3Å; N273-D314 PolarHBondContact ND2-OD2 3.4Å; N273-D314 WeakPolarHBondContact OD1-CB 3.1Å; N273-D314 PolarHBondContact OD1-N 3.3Å; N273-D314 VanDerWaalsContact OD1-N 3.09Å
274	I	91.7	Very high	94.8	Very high	58 Å²	58	49 Å²	49	30%	0.297	21%	0.213	S	C	.	.	H	α-helix	trans	-81.5	-12.6	-179.8	71.3	-164.9	0	0	0	113.3	I270 L276 K278 F407	I270-I274 HydrophobicContact CG2-CD1 4.1Å; I270-I274 VanDerWaalsContact O-CG1 3.32Å; I270-I274 WeakPolarHBondContact O-CG1 3.2Å; I270-I274 PolarHBondContact O-N 2.8Å; I270-I274 VanDerWaalsContact O-N 3.08Å; I274-L276 HydrophobicContact CD1-CB 4.43Å; I274-L276 HydrophobicContact CG1-CB 4.01Å; I274-L276 WeakPolarHBondContact O-CG 3.29Å; I274-L276 PolarHBondContact O-N 3.19Å; I274-K278 HydrophobicContact CD1-CB 4.34Å; I274-K278 HydrophobicContact CD1-CD 4.41Å; I274-F407 HydrophobicContact CD1-CE1 3.56Å; I274-F407 HydrophobicContact CD1-CZ 3.95Å; I274-F407 HydrophobicContact CG1-CE1 4.24Å
275	R	93.3	Very high	94.7	Very high	162 Å²	162	50.1 Å²	50.1	61%	0.611	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	34.1	-177	-52	-178.4	-173.5	-179.2	3.1	113.3	E271 N273 D315 R317	E271-R275 VanDerWaalsContact O-CA 3.29Å; E271-R275 WeakPolarHBondContact O-CA 3.5Å; E271-R275 PolarHBondContact O-N 2.77Å; N273-R275 VanDerWaalsContact C-N 3.33Å; R275-D315 IonicContact CZ-OD2 2.71Å; R275-D315 IonicContact NE-OD2 3.33Å; R275-D315 IonicContact NH2-OD2 2.78Å; R275-D315 PolarHBondContact NH2-OD2 3.25Å; R275-R317 VanDerWaalsContact NH2-CZ 3.32Å
276	L	92.7	Very high	94.6	Very high	20 Å²	20	51 Å²	51	11%	0.105	22%	0.222	C	C	.	.	S	Bend	trans	-142.7	153.2	-179.3	-55	166.9	0	0	0	109	E271 I274 K278 L384 Y403 K405 F407	E271-L276 WeakPolarHBondContact CA-O 3.41Å; E271-L276 WeakPolarHBondContact CB-O 3.34Å; E271-L276 PolarHBondContact O-N 3.3Å; I274-L276 HydrophobicContact CD1-CB 4.43Å; I274-L276 HydrophobicContact CG1-CB 4.01Å; I274-L276 WeakPolarHBondContact O-CG 3.29Å; I274-L276 PolarHBondContact O-N 3.19Å; L276-K278 PolarHBondContact O-N 3.33Å; L276-L384 HydrophobicContact CD1-CD1 4.12Å; L276-L384 HydrophobicContact CD1-CD2 4.2Å; L276-Y403 HydrophobicContact CD2-CD2 4.36Å; L276-Y403 HydrophobicContact CD2-CE2 3.91Å; L276-K405 WeakPolarHBondContact CA-O 3.44Å; L276-K405 HydrophobicContact CD2-CB 4.28Å; L276-K405 HydrophobicContact CD2-CG 4.36Å; L276-F407 HydrophobicContact CB-CD1 3.94Å; L276-F407 HydrophobicContact CB-CE1 3.99Å; L276-F407 HydrophobicContact CD1-CD1 3.55Å; L276-F407 HydrophobicContact CD1-CE1 3.48Å; L276-F407 VanDerWaalsContact CD1-CE1 3.48Å; L276-F407 HydrophobicContact CG-CD1 4.37Å; L276-F407 HydrophobicContact CG-CE1 4.35Å
277	N	92.6	Very high	94.6	Very high	74 Å²	74	48.5 Å²	48.5	40%	0.396	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126	172.3	-64	-6.5	0	0	0	109.1	L279 K405 A406 F407	N277-L279 PolarHBondContact O-N 2.03Å; N277-K405 PolarHBondContact N-O 3.2Å; N277-A406 HydrophobicContact CB-CB 4.02Å; N277-A406 WeakPolarHBondContact O-CA 3.46Å; N277-F407 PolarHBondContact O-N 3.4Å
278	K	95.4	Very high	94.5	Very high	38 Å²	38	48.4 Å²	48.4	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.6	-179.7	-176.7	65.8	-175.2	179	0	108.8	I270 E271 I274 L276 F407	I270-K278 HydrophobicContact CG2-CB 4.43Å; I270-K278 HydrophobicContact CG2-CG 4.38Å; E271-K278 HydrophobicContact CG-CB 3.78Å; E271-K278 PolarHBondContact OE1-N 2.94Å; I274-K278 HydrophobicContact CD1-CB 4.34Å; I274-K278 HydrophobicContact CD1-CD 4.41Å; L276-K278 PolarHBondContact O-N 3.33Å; K278-F407 WeakPolarHBondContact CA-O 3.5Å
279	L	95.8	Very high	94.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	21%	0.208	C	C	.	.			trans	-77.6	147.1	172.4	-55	-177.2	0	0	0	110	N277 V288 R289 N340 A406 F407 G408 A409	N277-L279 PolarHBondContact O-N 2.03Å; L279-V288 HydrophobicContact CB-CG1 3.77Å; L279-V288 HydrophobicContact CD1-CG1 3.95Å; L279-V288 HydrophobicContact CD2-CG1 4.27Å; L279-V288 HydrophobicContact CG-CG1 4.21Å; L279-R289 WeakPolarHBondContact CA-O 3.31Å; L279-N340 HydrophobicContact CD2-CB 4.18Å; L279-N340 WeakPolarHBondContact CD2-OD1 3.35Å; L279-A406 HydrophobicContact CD1-CB 3.97Å; L279-A406 HydrophobicContact CD2-CB 4.17Å; L279-A406 HydrophobicContact CG-CB 4.08Å; L279-F407 PolarHBondContact N-O 2.95Å; L279-G408 CarbonylContact O-C 3.52Å; L279-G408 VanDerWaalsContact O-C 3.28Å; L279-G408 WeakPolarHBondContact O-CA 3.1Å; L279-A409 HydrophobicContact CB-CB 4.11Å
280	R	96.1	Very high	94.4	Very high	42 Å²	42	47.2 Å²	47.2	16%	0.158	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.8	173.4	-63.9	-172.8	-178.2	-81	-1.7	110.1	D267 R289 W337 A409	D267-R280 IonicContact OD1-NH2 3.88Å; R280-R289 HydrophobicContact CB-CG 4.14Å; R280-R289 PolarHBondContact N-O 3.23Å; R280-R289 WeakPolarHBondContact O-CG 3.44Å; R280-R289 PolarHBondContact O-N 2.79Å; R280-W337 HydrophobicContact CB-CH2 4.47Å; R280-W337 HydrophobicContact CB-CZ3 4.28Å; R280-W337 VanDerWaalsContact CD-CH2 3.44Å; R280-W337 HydrophobicContact CG-CH2 3.83Å; R280-W337 HydrophobicContact CG-CZ3 4.07Å; R280-A409 VanDerWaalsContact C-CB 3.47Å
281	C	96.9	Very high	94.4	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	147	168.4	-66.2	0	0	0	0	112	R285 R289 C378 F379 E380	C281-R285 HydrophobicContact CB-CG 4.43Å; C281-R289 PolarHBondContact O-NE 3.19Å; C281-R289 PolarHBondContact O-NH2 3.05Å; C281-C378 WeakPolarHBondContact CA-SG 3.35Å; C281-C378 HydrophobicContact CB-CB 3.7Å; C281-C378 WeakPolarHBondContact CB-SG 3.48Å; C281-C378 WeakPolarHBondContact SG-CB 3.44Å; C281-C378 PolarHBondContact SG-O 3.21Å; C281-C378 CovalentContact SG-SG 2.05Å; C281-C378 PolarHBondContact SG-SG 3.35Å; C281-F379 PolarHBondContact SG-N 2.82Å; C281-F379 VanDerWaalsContact SG-N 3.37Å; C281-E380 WeakPolarHBondContact CB-OE1 3Å; C281-E380 PolarHBondContact N-OE1 2.96Å
282	S	94.7	Very high	94.3	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.028	21%	0.205	C	C	.	.			trans	-59.2	158.3	162.2	75.8	0	0	0	0	110.3	K284 R285 D286 Y287	S282-K284 PolarHBondContact O-N 3.42Å; S282-R285 PolarHBondContact O-N 2.91Å; S282-R285 PolarHBondContact OG-N 2.84Å; S282-R285 VanDerWaalsContact OG-N 3.1Å; S282-D286 WeakPolarHBondContact CB-OD1 3.41Å; S282-D286 PolarHBondContact OG-N 3.06Å; S282-D286 VanDerWaalsContact OG-N 3.1Å; S282-D286 PolarHBondContact OG-OD1 3.06Å; S282-Y287 VanDerWaalsContact CB-CE2 3.48Å; S282-Y287 VanDerWaalsContact CB-CZ 3.41Å; S282-Y287 PolarHBondContact N-O 3.39Å
283	R	90.3	Very high	94.2	Very high	228 Å²	228	47.4 Å²	47.4	86%	0.86	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.9	179.3	-174.7	176.2	175.2	124	-1.2	113.3
284	K	91.5	Very high	94.2	Very high	120 Å²	120	50.2 Å²	50.2	52%	0.522	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4.1	176.8	-65.6	-162.4	-177.1	178.2	0	113.1	D229 K231 S282 D286	D229-K284 IonicContact OD2-NZ 3.51Å; K231-K284 HydrophobicContact CD-CD 4.07Å; S282-K284 PolarHBondContact O-N 3.42Å; K284-D286 PolarHBondContact O-N 3.44Å; K284-D286 VanDerWaalsContact O-N 3.14Å
285	R	95.7	Very high	94.3	Very high	28 Å²	28	51.8 Å²	51.8	11%	0.106	23%	0.229	C	C	.	.	S	Bend	trans	53.6	29.1	-177.4	-58.7	-175.8	173.2	-81.5	-7.6	114.3	C281 S282 R377 C378 E474	C281-R285 HydrophobicContact CB-CG 4.43Å; S282-R285 PolarHBondContact O-N 2.91Å; S282-R285 PolarHBondContact OG-N 2.84Å; S282-R285 VanDerWaalsContact OG-N 3.1Å; R285-R377 HydrophobicContact CB-CB 4.38Å; R285-R377 CarbonylContact O-C 3.55Å; R285-R377 WeakPolarHBondContact O-CA 3.06Å; R285-R377 WeakPolarHBondContact O-CD 3.48Å; R285-C378 HydrophobicContact CB-CB 4.31Å; R285-C378 WeakPolarHBondContact CB-O 3.11Å; R285-C378 WeakPolarHBondContact CD-O 2.82Å; R285-C378 PolarHBondContact NH1-O 3.19Å; R285-C378 PolarHBondContact O-N 3.46Å; R285-E474 IonicContact CZ-OE1 3.46Å; R285-E474 IonicContact NE-OE1 2.76Å; R285-E474 PolarHBondContact NE-OE1 2.83Å; R285-E474 IonicContact NE-OE2 3.8Å; R285-E474 IonicContact NH2-OE1 3.83Å; R285-E474 PolarHBondContact NH2-OE1 2.91Å; R285-E474 IonicContact NH2-OE2 2.79Å
286	D	94.5	Very high	94.3	Very high	29 Å²	29	45.8 Å²	45.8	16%	0.155	21%	0.209	C	C	.	.	S	Bend	trans	-87.3	-21.1	178.8	47.3	3.2	0	0	0	113.1	K231 S282 K284 C354	K231-D286 IonicContact NZ-OD2 3.85Å; K231-D286 PolarHBondContact NZ-OD2 2.96Å; S282-D286 WeakPolarHBondContact CB-OD1 3.41Å; S282-D286 PolarHBondContact OG-N 3.06Å; S282-D286 VanDerWaalsContact OG-N 3.1Å; S282-D286 PolarHBondContact OG-OD1 3.06Å; K284-D286 PolarHBondContact O-N 3.44Å; K284-D286 VanDerWaalsContact O-N 3.14Å; D286-C354 PolarHBondContact O-N 2.96Å
287	Y	95.3	Very high	94.2	Very high	38 Å²	38	51.9 Å²	51.9	15%	0.149	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-152.7	162.8	177.4	57.1	-95	0	0	0	112.3	S282 R289 I339 G352	S282-Y287 VanDerWaalsContact CB-CE2 3.48Å; S282-Y287 VanDerWaalsContact CB-CZ 3.41Å; S282-Y287 PolarHBondContact N-O 3.39Å; Y287-R289 HydrophobicContact CD2-CB 4.34Å; Y287-R289 HydrophobicContact CE2-CB 4.13Å; Y287-I339 HydrophobicContact CD1-CD1 4.45Å; Y287-I339 HydrophobicContact CD1-CG1 4.45Å; Y287-I339 HydrophobicContact CD2-CB 4.23Å; Y287-I339 HydrophobicContact CD2-CD1 4.47Å; Y287-I339 HydrophobicContact CD2-CG1 3.65Å; Y287-I339 HydrophobicContact CD2-CG2 4.11Å; Y287-I339 HydrophobicContact CE2-CG1 3.69Å; Y287-I339 HydrophobicContact CG-CD1 4.41Å; Y287-I339 HydrophobicContact CG-CG1 4.05Å; Y287-I339 HydrophobicContact CG-CG2 4.28Å; Y287-G352 WeakPolarHBondContact CB-O 3.09Å
288	V	95.7	Very high	94.1	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.8	168.9	-179	0	0	0	0	108.8	L279 N340 A409	L279-V288 HydrophobicContact CB-CG1 3.77Å; L279-V288 HydrophobicContact CD1-CG1 3.95Å; L279-V288 HydrophobicContact CD2-CG1 4.27Å; L279-V288 HydrophobicContact CG-CG1 4.21Å; V288-N340 HydrophobicContact CB-CB 4.29Å; V288-N340 HydrophobicContact CG1-CB 3.99Å; V288-N340 PolarHBondContact O-N 2.8Å; V288-A409 HydrophobicContact CG1-CB 4.12Å
289	R	95.1	Very high	93.6	Very high	11 Å²	11	53.6 Å²	53.6	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	154	176.9	54.6	172.4	173.4	140.8	-0.3	112	D257 L279 R280 C281 Y287 W337 K338	D257-R289 VanDerWaalsContact CG-NH2 3.28Å; D257-R289 IonicContact OD1-CZ 3.47Å; D257-R289 IonicContact OD1-NH1 2.86Å; D257-R289 PolarHBondContact OD1-NH1 2.88Å; D257-R289 IonicContact OD1-NH2 3.37Å; D257-R289 PolarHBondContact OD1-NH2 2.98Å; D257-R289 IonicContact OD2-CZ 3.67Å; D257-R289 IonicContact OD2-NH1 3.77Å; D257-R289 IonicContact OD2-NH2 2.69Å; D257-R289 PolarHBondContact OD2-NH2 2.84Å; L279-R289 WeakPolarHBondContact CA-O 3.31Å; R280-R289 HydrophobicContact CB-CG 4.14Å; R280-R289 PolarHBondContact N-O 3.23Å; R280-R289 WeakPolarHBondContact O-CG 3.44Å; R280-R289 PolarHBondContact O-N 2.79Å; C281-R289 PolarHBondContact O-NE 3.19Å; C281-R289 PolarHBondContact O-NH2 3.05Å; Y287-R289 HydrophobicContact CD2-CB 4.34Å; Y287-R289 HydrophobicContact CE2-CB 4.13Å; R289-W337 HydrophobicContact CB-CE3 4.2Å; R289-W337 HydrophobicContact CG-CE3 3.9Å; R289-W337 VanDerWaalsContact NH1-CG 3.31Å; R289-K338 CarbonylContact C-O 3.5Å; R289-K338 WeakPolarHBondContact CA-O 3.42Å; R289-K338 VanDerWaalsContact CB-O 3.25Å; R289-K338 WeakPolarHBondContact CB-O 3.43Å
290	T	94.9	Very high	93.2	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.5	178.2	-179.8	0	0	0	0	109.1	M292 W337 K338 N340	T290-M292 HydrophobicContact CG2-CE 3.53Å; T290-M292 HydrophobicContact CG2-SD 4.35Å; T290-W337 VanDerWaalsContact C-CE3 3.47Å; T290-W337 WeakPolarHBondContact O-CA 3.14Å; T290-K338 PolarHBondContact N-O 3.12Å; T290-K338 PolarHBondContact O-N 3Å; T290-N340 HydrophobicContact CG2-CB 3.94Å
291	C	95.4	Very high	92.7	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.1	171.3	-172.6	0	0	0	0	110.5	C263 F293 W337	C263-C291 HydrophobicContact CB-CB 3.94Å; C263-C291 WeakPolarHBondContact CB-SG 3.15Å; C263-C291 VanDerWaalsContact SG-CA 3.58Å; C263-C291 WeakPolarHBondContact SG-CB 3.46Å; C263-C291 CovalentContact SG-SG 1.99Å; C263-C291 PolarHBondContact SG-SG 3.39Å; C291-F293 HydrophobicContact CB-CD2 4.16Å; C291-F293 HydrophobicContact CB-CE2 3.66Å; C291-F293 HydrophobicContact CB-CZ 4.05Å; C291-F293 VanDerWaalsContact SG-CE1 3.5Å; C291-F293 WeakPolarHBondContact SG-CE2 3.02Å; C291-F293 WeakPolarHBondContact SG-CZ 3.36Å; C291-W337 HydrophobicContact CB-CE3 4.24Å; C291-W337 HydrophobicContact CB-CH2 4.22Å; C291-W337 HydrophobicContact CB-CZ3 4.08Å
292	M	92.7	Very high	92.1	Very high	46 Å²	46	61.9 Å²	61.9	23%	0.227	29%	0.294	C	S	.	.			trans	-97.3	100.2	175	-55.3	-75.7	72.5	0	0	110.9	T290 D327 M336 K338	T290-M292 HydrophobicContact CG2-CE 3.53Å; T290-M292 HydrophobicContact CG2-SD 4.35Å; M292-D327 HydrophobicContact CB-CB 4.03Å; M292-D327 WeakPolarHBondContact CB-OD1 3.49Å; M292-M336 PolarHBondContact N-O 3.08Å; M292-K338 HydrophobicContact CG-CB 4.2Å; M292-K338 HydrophobicContact CG-CD 3.78Å; M292-K338 HydrophobicContact CG-CG 3.94Å
293	F	94.8	Very high	91.8	Very high	40 Å²	40	64.3 Å²	64.3	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.6	168.6	-60.2	-65.8	0	0	0	110.7	C263 D267 Y268 E271 C291 F306 V324 I325 P335	C263-F293 HydrophobicContact CB-CE1 3.87Å; C263-F293 HydrophobicContact CB-CZ 3.62Å; D267-F293 HydrophobicContact CB-CZ 4.08Å; Y268-F293 HydrophobicContact CD2-CB 4.35Å; Y268-F293 HydrophobicContact CD2-CD1 4.3Å; Y268-F293 HydrophobicContact CD2-CD2 4.07Å; Y268-F293 HydrophobicContact CD2-CE2 4.42Å; Y268-F293 AromaticContact CD2-CG 3.99Å; Y268-F293 HydrophobicContact CD2-CG 3.99Å; E271-F293 WeakPolarHBondContact OE2-CD2 3.37Å; C291-F293 HydrophobicContact CB-CD2 4.16Å; C291-F293 HydrophobicContact CB-CE2 3.66Å; C291-F293 HydrophobicContact CB-CZ 4.05Å; C291-F293 VanDerWaalsContact SG-CE1 3.5Å; C291-F293 WeakPolarHBondContact SG-CE2 3.02Å; C291-F293 WeakPolarHBondContact SG-CZ 3.36Å; F293-F306 HydrophobicContact CD1-CE2 4.16Å; F293-F306 AromaticContact CE1-CE2 3.68Å; F293-F306 HydrophobicContact CE1-CE2 3.68Å; F293-F306 HydrophobicContact CE1-CZ 4.07Å; F293-V324 HydrophobicContact CB-CG1 4.3Å; F293-V324 HydrophobicContact CD1-CG1 3.81Å; F293-V324 HydrophobicContact CG-CG1 4.32Å; F293-I325 CarbonylContact C-O 3.58Å; F293-I325 WeakPolarHBondContact CA-O 3.11Å; F293-P335 HydrophobicContact CD1-CB 3.74Å; F293-P335 HydrophobicContact CE1-CB 3.65Å; F293-P335 HydrophobicContact CE1-CG 4.31Å
294	K	94.1	Very high	91.8	Very high	100 Å²	100	54.9 Å²	54.9	44%	0.435	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.2	170.7	-176.9	176	-177.8	178.4	0	108.7	I325 D327	K294-I325 HydrophobicContact CB-CG1 4.18Å; K294-I325 PolarHBondContact N-O 3Å; K294-I325 VanDerWaalsContact O-CG1 3.29Å; K294-I325 WeakPolarHBondContact O-CG1 3.46Å; K294-I325 PolarHBondContact O-N 2.98Å; K294-D327 HydrophobicContact CB-CB 4.44Å
295	T	93.5	Very high	91.9	Very high	92 Å²	92	49.4 Å²	49.4	56%	0.564	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.5	170.2	-52.8	0	0	0	0	108.9	H323	T295-H323 CarbonylContact C-O 3.52Å; T295-H323 VanDerWaalsContact CA-O 3.28Å; T295-H323 WeakPolarHBondContact CA-O 3.29Å; T295-H323 HydrophobicContact CG2-CB 3.94Å
296	N	92.5	Very high	91.8	Very high	36 Å²	36	48.2 Å²	48.2	19%	0.193	24%	0.24	C	C	.	.			trans	-140.4	108.9	176.2	-172.4	-15.6	0	0	0	110.2	T298 I299 H323 I325	N296-T298 PolarHBondContact OD1-N 3.49Å; N296-T298 VanDerWaalsContact OD1-N 3.09Å; N296-T298 PolarHBondContact OD1-OG1 3.05Å; N296-I299 HydrophobicContact CB-CB 4Å; N296-I299 HydrophobicContact CB-CG2 4.34Å; N296-I299 VanDerWaalsContact O-CG2 3.26Å; N296-I299 WeakPolarHBondContact O-CG2 3.33Å; N296-I299 PolarHBondContact OD1-N 2.8Å; N296-H323 PolarHBondContact N-O 2.85Å; N296-I325 HydrophobicContact CB-CD1 3.71Å; N296-I325 HydrophobicContact CB-CG1 4.31Å
297	E	90.2	Very high	91.7	Very high	147 Å²	147	50.4 Å²	50.4	69%	0.687	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.8	-177.8	-67.1	-176.5	-177	0	0	112.9	H323	E297-H323 WeakPolarHBondContact CA-ND1 3.07Å; E297-H323 HydrophobicContact CG-CB 4.45Å
298	T	91.2	Very high	91.6	Very high	130 Å²	130	50.9 Å²	50.9	80%	0.798	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.1	-175.7	61.6	0	0	0	0	113.2	N296	N296-T298 PolarHBondContact OD1-N 3.49Å; N296-T298 VanDerWaalsContact OD1-N 3.09Å; N296-T298 PolarHBondContact OD1-OG1 3.05Å
299	I	85.8	Confident	91.5	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.097	28%	0.278	C	S	.	.	S	Bend	trans	-64.2	140.5	179.7	-161.6	68.8	0	0	0	110.6	N296 K301 Y303 K304 I325 Y333	N296-I299 HydrophobicContact CB-CB 4Å; N296-I299 HydrophobicContact CB-CG2 4.34Å; N296-I299 VanDerWaalsContact O-CG2 3.26Å; N296-I299 WeakPolarHBondContact O-CG2 3.33Å; N296-I299 PolarHBondContact OD1-N 2.8Å; I299-K301 PolarHBondContact O-N 3.26Å; I299-Y303 HydrophobicContact CD1-CD2 3.89Å; I299-Y303 HydrophobicContact CG1-CD2 3.89Å; I299-Y303 HydrophobicContact CG1-CG 4.26Å; I299-K304 HydrophobicContact CG2-CG 3.95Å; I299-K304 WeakPolarHBondContact O-CE 3.39Å; I299-I325 HydrophobicContact CB-CD1 4.34Å; I299-I325 HydrophobicContact CD1-CD1 4.15Å; I299-I325 HydrophobicContact CG1-CD1 3.99Å; I299-I325 HydrophobicContact CG2-CG2 4.06Å; I299-Y333 HydrophobicContact CD1-CE1 4.37Å; I299-Y333 HydrophobicContact CD1-CE2 4.19Å
300	D	86.4	Confident	91.6	Very high	89 Å²	89	59.5 Å²	59.5	48%	0.476	30%	0.302	S	S	.	.			trans	-54.3	140.1	173.8	-169.5	-47.5	0	0	0	109.9	Q302 Y303	D300-Q302 HydrophobicContact CB-CG 3.93Å; D300-Q302 PolarHBondContact O-N 3.31Å; D300-Q302 WeakPolarHBondContact OD1-CG 3.5Å; D300-Q302 PolarHBondContact OD1-N 2.82Å; D300-Y303 HydrophobicContact CB-CD2 4.04Å; D300-Y303 HydrophobicContact CB-CE2 4.3Å; D300-Y303 PolarHBondContact O-N 3.04Å
301	K	84.8	Confident	91.7	Very high	91 Å²	91	62.2 Å²	62.2	40%	0.396	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-51.7	-27.5	177.2	-169.5	177.9	176.7	178.7	0	112.3	Y137 I299 Y303 K304	Y137-K301 HydrophobicContact CD2-CD 4.45Å; Y137-K301 HydrophobicContact CD2-CG 4.13Å; Y137-K301 HydrophobicContact CE2-CD 4.2Å; Y137-K301 HydrophobicContact CE2-CG 4.35Å; I299-K301 PolarHBondContact O-N 3.26Å; K301-Y303 PolarHBondContact O-N 2.9Å; K301-K304 HydrophobicContact CG-CD 4.46Å; K301-K304 PolarHBondContact O-N 2.89Å
302	Q	85.3	Confident	91.8	Very high	41 Å²	41	65.9 Å²	65.9	19%	0.192	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-59.8	-27.3	178.1	73.7	-166	-9	0	0	114.7	R143 D300	R143-Q302 VanDerWaalsContact NH1-CD 3.26Å; D300-Q302 HydrophobicContact CB-CG 3.93Å; D300-Q302 PolarHBondContact O-N 3.31Å; D300-Q302 WeakPolarHBondContact OD1-CG 3.5Å; D300-Q302 PolarHBondContact OD1-N 2.82Å
303	Y	88.2	Confident	91.9	Very high	54 Å²	54	64 Å²	64	21%	0.212	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-101.8	1.9	-177.5	-57.1	-60.9	0	0	0	113.3	I299 D300 K301 V305 I325 Y333	I299-Y303 HydrophobicContact CD1-CD2 3.89Å; I299-Y303 HydrophobicContact CG1-CD2 3.89Å; I299-Y303 HydrophobicContact CG1-CG 4.26Å; D300-Y303 HydrophobicContact CB-CD2 4.04Å; D300-Y303 HydrophobicContact CB-CE2 4.3Å; D300-Y303 PolarHBondContact O-N 3.04Å; K301-Y303 PolarHBondContact O-N 2.9Å; Y303-V305 VanDerWaalsContact C-N 3.32Å; Y303-V305 WeakPolarHBondContact O-CG2 3.09Å; Y303-V305 PolarHBondContact O-N 3.1Å; Y303-I325 WeakPolarHBondContact O-CG2 3.46Å; Y303-Y333 AromaticContact CD1-CD2 3.53Å; Y303-Y333 HydrophobicContact CD1-CD2 3.53Å; Y303-Y333 HydrophobicContact CD1-CE2 4.29Å; Y303-Y333 HydrophobicContact CD1-CG 4.43Å; Y303-Y333 AromaticContact CD2-CD2 3.98Å; Y303-Y333 HydrophobicContact CD2-CD2 3.98Å; Y303-Y333 HydrophobicContact CD2-CE2 4.12Å; Y303-Y333 AromaticContact CE1-CD2 3.85Å; Y303-Y333 HydrophobicContact CE1-CD2 3.85Å; Y303-Y333 HydrophobicContact CE1-CE2 4.28Å; Y303-Y333 HydrophobicContact CE2-CD2 4.27Å; Y303-Y333 HydrophobicContact CE2-CE2 4.1Å; Y303-Y333 AromaticContact CG-CD2 3.59Å; Y303-Y333 HydrophobicContact CG-CD2 3.59Å; Y303-Y333 HydrophobicContact CG-CE2 4.2Å; Y303-Y333 HydrophobicContact CG-CG 4.37Å
304	K	90.3	Very high	91.9	Very high	30 Å²	30	69.2 Å²	69.2	13%	0.13	36%	0.357	C	S	.	.			trans	-76.5	80.1	-178.7	-65.4	-176	172.1	-165.1	0	111.2	I299 K301 F306 Y307 D322	I299-K304 HydrophobicContact CG2-CG 3.95Å; I299-K304 WeakPolarHBondContact O-CE 3.39Å; K301-K304 HydrophobicContact CG-CD 4.46Å; K301-K304 PolarHBondContact O-N 2.89Å; K304-F306 VanDerWaalsContact C-N 3.28Å; K304-F306 PolarHBondContact O-N 2.92Å; K304-Y307 HydrophobicContact CB-CD2 4.24Å; K304-Y307 HydrophobicContact CD-CD2 3.94Å; K304-Y307 WeakPolarHBondContact O-CB 3.35Å; K304-Y307 PolarHBondContact O-N 2.8Å; K304-D322 WeakPolarHBondContact CD-O 3.34Å; K304-D322 WeakPolarHBondContact CE-O 3.16Å; K304-D322 VanDerWaalsContact CG-O 3.25Å; K304-D322 WeakPolarHBondContact CG-O 3.27Å
305	V	92.8	Very high	91.9	Very high	5 Å²	5	68.1 Å²	68.1	3%	0.03	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.8	-174	-173.7	0	0	0	0	113	R246 I249 Y303 P335	R246-V305 WeakPolarHBondContact CD-O 3.47Å; R246-V305 PolarHBondContact NH1-O 2.89Å; I249-V305 HydrophobicContact CD1-CG1 3.6Å; Y303-V305 VanDerWaalsContact C-N 3.32Å; Y303-V305 WeakPolarHBondContact O-CG2 3.09Å; Y303-V305 PolarHBondContact O-N 3.1Å; V305-P335 HydrophobicContact CG1-CG 4.28Å
306	F	94.5	Very high	92	Very high	3 Å²	3	66 Å²	66	1%	0.013	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	24.4	178.1	-53.1	-42.1	0	0	0	114.2	R246 I249 N264 F265 F293 K304 G308 K309 G321 V324 P335	R246-F306 VanDerWaalsContact NH1-C 3.25Å; I249-F306 HydrophobicContact CD1-CE1 4.22Å; I249-F306 HydrophobicContact CG2-CE1 4.23Å; N264-F306 VanDerWaalsContact C-CZ 3.43Å; F265-F306 HydrophobicContact CB-CD1 4.04Å; F265-F306 HydrophobicContact CB-CE1 4.33Å; F265-F306 HydrophobicContact CB-CG 4.16Å; F265-F306 HydrophobicContact CD2-CB 3.87Å; F265-F306 AromaticContact CD2-CD2 3.97Å; F265-F306 HydrophobicContact CD2-CD2 3.97Å; F265-F306 AromaticContact CD2-CG 3.93Å; F265-F306 HydrophobicContact CD2-CG 3.93Å; F265-F306 HydrophobicContact CG-CG 4.49Å; F293-F306 HydrophobicContact CD1-CE2 4.16Å; F293-F306 AromaticContact CE1-CE2 3.68Å; F293-F306 HydrophobicContact CE1-CE2 3.68Å; F293-F306 HydrophobicContact CE1-CZ 4.07Å; K304-F306 VanDerWaalsContact C-N 3.28Å; K304-F306 PolarHBondContact O-N 2.92Å; F306-G308 PolarHBondContact O-N 3.31Å; F306-K309 HydrophobicContact CB-CB 4.32Å; F306-K309 HydrophobicContact CB-CG 4.31Å; F306-K309 VanDerWaalsContact O-CB 3.25Å; F306-K309 WeakPolarHBondContact O-CB 3.47Å; F306-K309 WeakPolarHBondContact O-CG 3.17Å; F306-K309 PolarHBondContact O-N 2.91Å; F306-G321 CarbonylContact C-O 3.57Å; F306-G321 WeakPolarHBondContact CB-O 3.47Å; F306-G321 CarbonylContact O-C 3.46Å; F306-V324 HydrophobicContact CD2-CB 3.9Å; F306-V324 HydrophobicContact CD2-CG1 3.7Å; F306-V324 HydrophobicContact CE2-CG1 3.87Å; F306-P335 HydrophobicContact CE1-CG 4.27Å; F306-P335 HydrophobicContact CE2-CG 4.02Å; F306-P335 HydrophobicContact CZ-CB 4.41Å; F306-P335 HydrophobicContact CZ-CG 3.52Å
307	Y	92.7	Very high	92.1	Very high	76 Å²	76	68.6 Å²	68.6	30%	0.298	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	132	174.1	-170.4	-87.6	0	0	0	113.2	R246 K304 K309 D322	R246-Y307 PolarHBondContact NH1-O 3.1Å; R246-Y307 PolarHBondContact NH2-O 3.41Å; K304-Y307 HydrophobicContact CB-CD2 4.24Å; K304-Y307 HydrophobicContact CD-CD2 3.94Å; K304-Y307 WeakPolarHBondContact O-CB 3.35Å; K304-Y307 PolarHBondContact O-N 2.8Å; Y307-K309 PolarHBondContact O-N 3.37Å; Y307-D322 VanDerWaalsContact CA-OD1 3.29Å; Y307-D322 WeakPolarHBondContact CA-OD1 3.42Å
308	G	92.6	Very high	92.4	Very high	48 Å²	48	70.1 Å²	70.1	50%	0.495	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-0.3	-178.4	0	0	0	0	0	115.1	F306 D322	F306-G308 PolarHBondContact O-N 3.31Å; G308-D322 PolarHBondContact N-OD1 3.18Å
309	K	94.6	Very high	92.6	Very high	76 Å²	76	64.9 Å²	64.9	33%	0.33	33%	0.332	S	S	.	.			trans	-88.6	128.5	177.5	-59.6	-74.5	-172.7	170.9	0	109.8	D250 F265 F306 Y307 G321	D250-K309 IonicContact OD1-NZ 3.68Å; F265-K309 HydrophobicContact CB-CB 4.48Å; F265-K309 HydrophobicContact CB-CG 4.49Å; F265-K309 HydrophobicContact CD1-CB 3.68Å; F265-K309 HydrophobicContact CD1-CG 4.39Å; F265-K309 HydrophobicContact CD2-CB 3.9Å; F265-K309 HydrophobicContact CE1-CB 3.73Å; F265-K309 HydrophobicContact CE2-CB 3.97Å; F265-K309 HydrophobicContact CG-CB 3.75Å; F265-K309 HydrophobicContact CG-CG 4.27Å; F265-K309 HydrophobicContact CZ-CB 3.89Å; F306-K309 HydrophobicContact CB-CB 4.32Å; F306-K309 HydrophobicContact CB-CG 4.31Å; F306-K309 VanDerWaalsContact O-CB 3.25Å; F306-K309 WeakPolarHBondContact O-CB 3.47Å; F306-K309 WeakPolarHBondContact O-CG 3.17Å; F306-K309 PolarHBondContact O-N 2.91Å; Y307-K309 PolarHBondContact O-N 3.37Å; K309-G321 PolarHBondContact O-N 3.46Å
310	H	96.2	Very high	93	Very high	120 Å²	120	65.8 Å²	65.8	56%	0.556	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.5	178.1	-54.9	-36.1	0	0	0	110	V319 S320 D322	H310-V319 VanDerWaalsContact CA-O 3.29Å; H310-V319 WeakPolarHBondContact CA-O 3.28Å; H310-S320 PolarHBondContact CE1-OG 3.44Å; H310-S320 WeakPolarHBondContact ND1-CB 3.29Å; H310-S320 PolarHBondContact ND1-OG 2.68Å; H310-D322 IonicContact CE1-OD2 2.88Å; H310-D322 PolarHBondContact CE1-OD2 3.43Å
311	E	97.1	Very high	93.4	Very high	61 Å²	61	61.6 Å²	61.6	29%	0.285	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.9	176.5	-170.7	67.4	-92.8	0	0	110	F265 R266 V269 K318 V319	F265-E311 HydrophobicContact CE1-CB 3.96Å; F265-E311 HydrophobicContact CZ-CB 4.28Å; R266-E311 IonicContact NH1-OE2 3.59Å; V269-E311 HydrophobicContact CB-CG 4.5Å; V269-E311 HydrophobicContact CG1-CB 4.48Å; V269-E311 HydrophobicContact CG1-CG 3.78Å; V269-E311 HydrophobicContact CG2-CB 3.67Å; V269-E311 HydrophobicContact CG2-CG 3.83Å; E311-K318 WeakPolarHBondContact O-CA 3.38Å; E311-V319 HydrophobicContact CB-CG2 3.9Å; E311-V319 PolarHBondContact N-O 3.27Å; E311-V319 VanDerWaalsContact N-O 3.09Å; E311-V319 PolarHBondContact O-N 3.41Å
312	T	96.8	Very high	93.8	Very high	80 Å²	80	58.8 Å²	58.8	49%	0.491	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.8	166.1	-55.9	0	0	0	0	108.5
313	L	95.7	Very high	94.2	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.037	31%	0.312	C	S	.	.			trans	-72.4	167.8	179.9	-55.1	-175.5	0	0	0	111.4	V269 T272 N273 D315 G316 R317 V319	V269-L313 HydrophobicContact CG1-CD2 4.13Å; T272-L313 HydrophobicContact CG2-CD1 3.9Å; N273-L313 HydrophobicContact CB-CD2 4.26Å; L313-D315 PolarHBondContact O-N 3.4Å; L313-G316 PolarHBondContact O-N 3.07Å; L313-R317 HydrophobicContact CD1-CB 4.22Å; L313-R317 PolarHBondContact N-O 3.29Å; L313-V319 HydrophobicContact CD1-CG1 3.68Å; L313-V319 HydrophobicContact CD2-CG1 4.15Å; L313-V319 HydrophobicContact CD2-CG2 3.81Å; L313-V319 HydrophobicContact CG-CG1 3.91Å; L313-V319 HydrophobicContact CG-CG2 4.28Å
314	D	94	Very high	94.5	Very high	148 Å²	148	57.3 Å²	57.3	79%	0.791	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.5	-178.4	-63.5	-15.1	0	0	0	112.5	N273 G316	N273-D314 VanDerWaalsContact ND2-CG 3.3Å; N273-D314 PolarHBondContact ND2-OD2 3.4Å; N273-D314 WeakPolarHBondContact OD1-CB 3.1Å; N273-D314 PolarHBondContact OD1-N 3.3Å; N273-D314 VanDerWaalsContact OD1-N 3.09Å; D314-G316 VanDerWaalsContact C-N 3.29Å
315	D	94.5	Very high	94.7	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	8.2	175.5	69.7	7.6	0	0	0	114.1	R275 L313 R317	R275-D315 IonicContact CZ-OD2 2.71Å; R275-D315 IonicContact NE-OD2 3.33Å; R275-D315 IonicContact NH2-OD2 2.78Å; R275-D315 PolarHBondContact NH2-OD2 3.25Å; L313-D315 PolarHBondContact O-N 3.4Å; D315-R317 VanDerWaalsContact C-N 3.29Å; D315-R317 PolarHBondContact O-N 3.28Å; D315-R317 WeakPolarHBondContact OD1-CB 3.2Å; D315-R317 WeakPolarHBondContact OD1-CG 3.13Å; D315-R317 IonicContact OD1-CZ 3.07Å; D315-R317 PolarHBondContact OD1-N 3.3Å; D315-R317 IonicContact OD1-NE 3.91Å; D315-R317 PolarHBondContact OD1-NE 3.47Å; D315-R317 IonicContact OD1-NH2 2.67Å; D315-R317 IonicContact OD2-CZ 3.22Å; D315-R317 IonicContact OD2-NE 3.05Å; D315-R317 PolarHBondContact OD2-NE 3.41Å; D315-R317 IonicContact OD2-NH2 3.42Å; D315-R317 PolarHBondContact OD2-NH2 3.03Å
316	G	95.3	Very high	94.8	Very high	49 Å²	49	55.6 Å²	55.6	51%	0.505	30%	0.295	S	S	.	.	S	Bend	trans	81.8	-5	176.7	0	0	0	0	0	115.2	L313 D314	L313-G316 PolarHBondContact O-N 3.07Å; D314-G316 VanDerWaalsContact C-N 3.29Å
317	R	95.5	Very high	94.6	Very high	90 Å²	90	58.4 Å²	58.4	34%	0.34	31%	0.31	S	S	.	.			trans	-64.4	141.3	172	-68.8	179.4	-65.6	150.4	3.5	110.1	T272 R275 L313 D315	T272-R317 PolarHBondContact O-NH2 2.72Å; R275-R317 VanDerWaalsContact NH2-CZ 3.32Å; L313-R317 HydrophobicContact CD1-CB 4.22Å; L313-R317 PolarHBondContact N-O 3.29Å; D315-R317 VanDerWaalsContact C-N 3.29Å; D315-R317 PolarHBondContact O-N 3.28Å; D315-R317 WeakPolarHBondContact OD1-CB 3.2Å; D315-R317 WeakPolarHBondContact OD1-CG 3.13Å; D315-R317 IonicContact OD1-CZ 3.07Å; D315-R317 PolarHBondContact OD1-N 3.3Å; D315-R317 IonicContact OD1-NE 3.91Å; D315-R317 PolarHBondContact OD1-NE 3.47Å; D315-R317 IonicContact OD1-NH2 2.67Å; D315-R317 IonicContact OD2-CZ 3.22Å; D315-R317 IonicContact OD2-NE 3.05Å; D315-R317 PolarHBondContact OD2-NE 3.41Å; D315-R317 IonicContact OD2-NH2 3.42Å; D315-R317 PolarHBondContact OD2-NH2 3.03Å
318	K	95.6	Very high	94.5	Very high	179 Å²	179	55.7 Å²	55.7	78%	0.778	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.8	171.5	-64.7	-177.3	179.1	-177.9	0	109.7	E311	E311-K318 WeakPolarHBondContact O-CA 3.38Å
319	V	95	Very high	94.5	Very high	19 Å²	19	57.8 Å²	57.8	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.7	176	-64.3	0	0	0	0	110.5	Y268 T272 H310 E311 L313	Y268-V319 HydrophobicContact CE1-CB 4.46Å; T272-V319 HydrophobicContact CG2-CG1 3.8Å; H310-V319 VanDerWaalsContact CA-O 3.29Å; H310-V319 WeakPolarHBondContact CA-O 3.28Å; E311-V319 HydrophobicContact CB-CG2 3.9Å; E311-V319 PolarHBondContact N-O 3.27Å; E311-V319 VanDerWaalsContact N-O 3.09Å; E311-V319 PolarHBondContact O-N 3.41Å; L313-V319 HydrophobicContact CD1-CG1 3.68Å; L313-V319 HydrophobicContact CD2-CG1 4.15Å; L313-V319 HydrophobicContact CD2-CG2 3.81Å; L313-V319 HydrophobicContact CG-CG1 3.91Å; L313-V319 HydrophobicContact CG-CG2 4.28Å
320	S	95.2	Very high	94.4	Very high	39 Å²	39	54.8 Å²	54.8	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.6	172.9	178.2	0	0	0	0	110.5	H310 D322	H310-S320 PolarHBondContact CE1-OG 3.44Å; H310-S320 WeakPolarHBondContact ND1-CB 3.29Å; H310-S320 PolarHBondContact ND1-OG 2.68Å; S320-D322 VanDerWaalsContact C-N 3.33Å; S320-D322 WeakPolarHBondContact OG-CB 3.46Å; S320-D322 PolarHBondContact OG-N 3.24Å; S320-D322 VanDerWaalsContact OG-N 3.07Å; S320-D322 PolarHBondContact OG-OD2 2.76Å
321	G	94.5	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-82.7	-4.2	170.6	0	0	0	0	0	114.2	F306 K309 H323 V324	F306-G321 CarbonylContact C-O 3.57Å; F306-G321 WeakPolarHBondContact CB-O 3.47Å; F306-G321 CarbonylContact O-C 3.46Å; K309-G321 PolarHBondContact O-N 3.46Å; G321-H323 PolarHBondContact O-N 3.02Å; G321-V324 PolarHBondContact O-N 3.09Å
322	D	93.6	Very high	94	Very high	33 Å²	33	47 Å²	47	18%	0.176	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.5	-171.9	-68.2	-36.1	0	0	0	114.5	K304 Y307 G308 H310 S320	K304-D322 WeakPolarHBondContact CD-O 3.34Å; K304-D322 WeakPolarHBondContact CE-O 3.16Å; K304-D322 VanDerWaalsContact CG-O 3.25Å; K304-D322 WeakPolarHBondContact CG-O 3.27Å; Y307-D322 VanDerWaalsContact CA-OD1 3.29Å; Y307-D322 WeakPolarHBondContact CA-OD1 3.42Å; G308-D322 PolarHBondContact N-OD1 3.18Å; H310-D322 IonicContact CE1-OD2 2.88Å; H310-D322 PolarHBondContact CE1-OD2 3.43Å; S320-D322 VanDerWaalsContact C-N 3.33Å; S320-D322 WeakPolarHBondContact OG-CB 3.46Å; S320-D322 PolarHBondContact OG-N 3.24Å; S320-D322 VanDerWaalsContact OG-N 3.07Å; S320-D322 PolarHBondContact OG-OD2 2.76Å
323	H	93.2	Very high	93.8	Very high	62 Å²	62	45 Å²	45	29%	0.287	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	5.5	-178.6	-56.7	-65.1	0	0	0	112.3	T295 N296 E297 G321	T295-H323 CarbonylContact C-O 3.52Å; T295-H323 VanDerWaalsContact CA-O 3.28Å; T295-H323 WeakPolarHBondContact CA-O 3.29Å; T295-H323 HydrophobicContact CG2-CB 3.94Å; N296-H323 PolarHBondContact N-O 2.85Å; E297-H323 WeakPolarHBondContact CA-ND1 3.07Å; E297-H323 HydrophobicContact CG-CB 4.45Å; G321-H323 PolarHBondContact O-N 3.02Å
324	V	94.6	Very high	93.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.6	-177.7	-178	0	0	0	0	108.9	Y268 F293 F306 G321	Y268-V324 HydrophobicContact CD1-CG2 4.29Å; Y268-V324 HydrophobicContact CD2-CG1 3.71Å; Y268-V324 HydrophobicContact CD2-CG2 4.22Å; Y268-V324 HydrophobicContact CE1-CG2 3.75Å; Y268-V324 HydrophobicContact CE2-CB 4.47Å; Y268-V324 HydrophobicContact CE2-CG1 3.9Å; Y268-V324 HydrophobicContact CE2-CG2 3.67Å; Y268-V324 HydrophobicContact CG-CG1 4.07Å; Y268-V324 HydrophobicContact CG-CG2 4.5Å; Y268-V324 VanDerWaalsContact CZ-CG2 3.4Å; F293-V324 HydrophobicContact CB-CG1 4.3Å; F293-V324 HydrophobicContact CD1-CG1 3.81Å; F293-V324 HydrophobicContact CG-CG1 4.32Å; F306-V324 HydrophobicContact CD2-CB 3.9Å; F306-V324 HydrophobicContact CD2-CG1 3.7Å; F306-V324 HydrophobicContact CE2-CG1 3.87Å; G321-V324 PolarHBondContact O-N 3.09Å
325	I	94.7	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	171.9	-178.3	61.9	169	0	0	0	110	F293 K294 N296 I299 Y303 Y333	F293-I325 CarbonylContact C-O 3.58Å; F293-I325 WeakPolarHBondContact CA-O 3.11Å; K294-I325 HydrophobicContact CB-CG1 4.18Å; K294-I325 PolarHBondContact N-O 3Å; K294-I325 VanDerWaalsContact O-CG1 3.29Å; K294-I325 WeakPolarHBondContact O-CG1 3.46Å; K294-I325 PolarHBondContact O-N 2.98Å; N296-I325 HydrophobicContact CB-CD1 3.71Å; N296-I325 HydrophobicContact CB-CG1 4.31Å; I299-I325 HydrophobicContact CB-CD1 4.34Å; I299-I325 HydrophobicContact CD1-CD1 4.15Å; I299-I325 HydrophobicContact CG1-CD1 3.99Å; I299-I325 HydrophobicContact CG2-CG2 4.06Å; Y303-I325 WeakPolarHBondContact O-CG2 3.46Å; I325-Y333 HydrophobicContact CD1-CD1 3.71Å; I325-Y333 HydrophobicContact CD1-CE1 4.24Å; I325-Y333 HydrophobicContact CD1-CG 4.28Å
326	G	94.6	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	162.9	164.1	0	0	0	0	0	112.2	Y333	G326-Y333 WeakPolarHBondContact CA-O 3.36Å; G326-Y333 PolarHBondContact N-O 2.79Å
327	D	91.6	Very high	93.8	Very high	61 Å²	61	32.3 Å²	32.3	33%	0.326	15%	0.153	S	C	.	.	S	Bend	trans	-85	-6.5	-176.6	73	-33.2	0	0	0	114.6	M292 K294 K338	M292-D327 HydrophobicContact CB-CB 4.03Å; M292-D327 WeakPolarHBondContact CB-OD1 3.49Å; K294-D327 HydrophobicContact CB-CB 4.44Å; D327-K338 IonicContact OD1-NZ 2.71Å; D327-K338 PolarHBondContact OD1-NZ 3.37Å; D327-K338 IonicContact OD2-NZ 3.59Å
328	D	90.4	Very high	93.7	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.102	15%	0.147	C	C	.	.			trans	-127.7	115.5	-162.2	-170.2	-12.5	0	0	0	111.7	K188 L330 T331 Y333 K338	K188-D328 WeakPolarHBondContact CE-OD2 3.37Å; D328-L330 VanDerWaalsContact C-N 3.33Å; D328-L330 PolarHBondContact O-N 3.17Å; D328-L330 PolarHBondContact OD1-N 2.94Å; D328-T331 HydrophobicContact CB-CG2 3.85Å; D328-T331 PolarHBondContact O-N 3.37Å; D328-T331 PolarHBondContact O-OG1 2.87Å; D328-Y333 WeakPolarHBondContact O-CA 3.45Å; D328-Y333 PolarHBondContact O-N 3.27Å; D328-K338 VanDerWaalsContact CB-NZ 3.31Å; D328-K338 IonicContact OD2-NZ 3.18Å; D328-K338 PolarHBondContact OD2-NZ 3.31Å
329	E	91.3	Very high	93.5	Very high	93 Å²	93	23 Å²	23	44%	0.435	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-61.9	-39	-177.6	-178.9	-179.8	156.4	0	0	112.4	G177 T331 D332 Y333	G177-E329 PolarHBondContact N-OE1 2.94Å; E329-T331 PolarHBondContact O-N 2.83Å; E329-D332 PolarHBondContact O-N 2.87Å; E329-D332 VanDerWaalsContact O-N 3.08Å; E329-Y333 HydrophobicContact CB-CE1 4.2Å; E329-Y333 HydrophobicContact CB-CE2 4.12Å; E329-Y333 HydrophobicContact CG-CE2 3.87Å
330	L	92	Very high	93.4	Very high	12 Å²	12	23 Å²	23	6%	0.063	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-69.2	-5	-179.2	-57.7	-169.4	0	0	0	112.8	E174 T181 K188 V199 D328	E174-L330 HydrophobicContact CG-CD2 4.27Å; T181-L330 HydrophobicContact CG2-CD1 3.82Å; T181-L330 HydrophobicContact CG2-CD2 3.82Å; K188-L330 HydrophobicContact CB-CB 4.16Å; K188-L330 WeakPolarHBondContact CB-O 3.15Å; K188-L330 HydrophobicContact CD-CB 4.07Å; V199-L330 HydrophobicContact CB-CD1 4.38Å; V199-L330 HydrophobicContact CG2-CD1 3.66Å; D328-L330 VanDerWaalsContact C-N 3.33Å; D328-L330 PolarHBondContact O-N 3.17Å; D328-L330 PolarHBondContact OD1-N 2.94Å
331	T	93.2	Very high	92.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-103	17.6	177.1	69.9	0	0	0	0	111.5	K188 D328 E329 Y333 C334 M336	K188-T331 HydrophobicContact CD-CG2 3.94Å; K188-T331 HydrophobicContact CG-CG2 4.06Å; D328-T331 HydrophobicContact CB-CG2 3.85Å; D328-T331 PolarHBondContact O-N 3.37Å; D328-T331 PolarHBondContact O-OG1 2.87Å; E329-T331 PolarHBondContact O-N 2.83Å; T331-Y333 PolarHBondContact O-N 3.21Å; T331-C334 WeakPolarHBondContact O-CB 3.32Å; T331-C334 PolarHBondContact O-N 2.73Å; T331-C334 PolarHBondContact O-SG 3.07Å; T331-C334 PolarHBondContact OG1-N 3.28Å; T331-C334 PolarHBondContact OG1-O 2.78Å; T331-M336 VanDerWaalsContact CB-SD 3.58Å; T331-M336 HydrophobicContact CG2-CE 3.33Å; T331-M336 HydrophobicContact CG2-SD 3.52Å; T331-M336 VanDerWaalsContact CG2-SD 3.52Å
332	D	92	Very high	92.1	Very high	18 Å²	18	25.2 Å²	25.2	10%	0.096	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	31.8	-166.1	-67.5	-51.2	0	0	0	112.8	W135 R189 E329 C334	W135-D332 HydrophobicContact CZ2-CB 4.43Å; W135-D332 WeakPolarHBondContact CZ2-OD2 3.29Å; R189-D332 VanDerWaalsContact CD-OD2 3.27Å; R189-D332 WeakPolarHBondContact CD-OD2 3.43Å; R189-D332 IonicContact CZ-OD2 2.73Å; R189-D332 IonicContact NE-OD2 2.68Å; R189-D332 PolarHBondContact NE-OD2 3.16Å; E329-D332 PolarHBondContact O-N 2.87Å; E329-D332 VanDerWaalsContact O-N 3.08Å; D332-C334 PolarHBondContact O-N 3.34Å
333	Y	93.2	Very high	91	Very high	37 Å²	37	25.1 Å²	25.1	15%	0.145	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	30.8	-171.4	-61.4	-85.1	0	0	0	113.9	I299 Y303 I325 G326 D328 E329 T331	I299-Y333 HydrophobicContact CD1-CE1 4.37Å; I299-Y333 HydrophobicContact CD1-CE2 4.19Å; Y303-Y333 AromaticContact CD1-CD2 3.53Å; Y303-Y333 HydrophobicContact CD1-CD2 3.53Å; Y303-Y333 HydrophobicContact CD1-CE2 4.29Å; Y303-Y333 HydrophobicContact CD1-CG 4.43Å; Y303-Y333 AromaticContact CD2-CD2 3.98Å; Y303-Y333 HydrophobicContact CD2-CD2 3.98Å; Y303-Y333 HydrophobicContact CD2-CE2 4.12Å; Y303-Y333 AromaticContact CE1-CD2 3.85Å; Y303-Y333 HydrophobicContact CE1-CD2 3.85Å; Y303-Y333 HydrophobicContact CE1-CE2 4.28Å; Y303-Y333 HydrophobicContact CE2-CD2 4.27Å; Y303-Y333 HydrophobicContact CE2-CE2 4.1Å; Y303-Y333 AromaticContact CG-CD2 3.59Å; Y303-Y333 HydrophobicContact CG-CD2 3.59Å; Y303-Y333 HydrophobicContact CG-CE2 4.2Å; Y303-Y333 HydrophobicContact CG-CG 4.37Å; I325-Y333 HydrophobicContact CD1-CD1 3.71Å; I325-Y333 HydrophobicContact CD1-CE1 4.24Å; I325-Y333 HydrophobicContact CD1-CG 4.28Å; G326-Y333 WeakPolarHBondContact CA-O 3.36Å; G326-Y333 PolarHBondContact N-O 2.79Å; D328-Y333 WeakPolarHBondContact O-CA 3.45Å; D328-Y333 PolarHBondContact O-N 3.27Å; E329-Y333 HydrophobicContact CB-CE1 4.2Å; E329-Y333 HydrophobicContact CB-CE2 4.12Å; E329-Y333 HydrophobicContact CG-CE2 3.87Å; T331-Y333 PolarHBondContact O-N 3.21Å
334	C	95.2	Very high	89.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.			trans	-72.7	127.1	173.3	-62.3	0	0	0	0	110.3	C245 Y262 T331 D332 M336	C245-C334 HydrophobicContact CB-CB 3.6Å; C245-C334 WeakPolarHBondContact CB-SG 3.28Å; C245-C334 VanDerWaalsContact SG-CA 3.53Å; C245-C334 WeakPolarHBondContact SG-CB 3.35Å; C245-C334 CovalentContact SG-SG 2.01Å; C245-C334 PolarHBondContact SG-SG 3.44Å; Y262-C334 HydrophobicContact CD1-CB 3.68Å; Y262-C334 HydrophobicContact CE1-CB 3.5Å; Y262-C334 VanDerWaalsContact CE1-CB 3.5Å; T331-C334 WeakPolarHBondContact O-CB 3.32Å; T331-C334 PolarHBondContact O-N 2.73Å; T331-C334 PolarHBondContact O-SG 3.07Å; T331-C334 PolarHBondContact OG1-N 3.28Å; T331-C334 PolarHBondContact OG1-O 2.78Å; D332-C334 PolarHBondContact O-N 3.34Å; C334-M336 HydrophobicContact CB-CG 4.44Å; C334-M336 WeakPolarHBondContact O-CG 3.41Å; C334-M336 PolarHBondContact O-N 3.12Å
335	P	96	Very high	87.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.			trans	-67.3	121	174.5	26.7	-31.3	0	0	0	108.9	I249 Y262 C263 F293 V305 F306	I249-P335 HydrophobicContact CD1-CG 4.48Å; Y262-P335 CarbonylContact C-O 3.57Å; Y262-P335 VanDerWaalsContact CA-O 3.24Å; Y262-P335 WeakPolarHBondContact CA-O 3.34Å; Y262-P335 WeakPolarHBondContact CB-O 3.37Å; C263-P335 HydrophobicContact CB-CB 4.27Å; C263-P335 PolarHBondContact N-O 2.88Å; F293-P335 HydrophobicContact CD1-CB 3.74Å; F293-P335 HydrophobicContact CE1-CB 3.65Å; F293-P335 HydrophobicContact CE1-CG 4.31Å; V305-P335 HydrophobicContact CG1-CG 4.28Å; F306-P335 HydrophobicContact CE1-CG 4.27Å; F306-P335 HydrophobicContact CE2-CG 4.02Å; F306-P335 HydrophobicContact CZ-CB 4.41Å; F306-P335 HydrophobicContact CZ-CG 3.52Å
336	M	94.8	Very high	85.6	Confident	6 Å²	6	43 Å²	43	3%	0.03	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-126.9	145.2	-168	-81.2	-178.9	2.3	0	0	111.3	W232 Y262 M292 T331 C334 K338	W232-M336 HydrophobicContact CH2-CB 3.8Å; W232-M336 HydrophobicContact CH2-CE 4.03Å; W232-M336 HydrophobicContact CH2-CG 3.76Å; W232-M336 HydrophobicContact CH2-SD 3.97Å; W232-M336 HydrophobicContact CZ2-CB 4.31Å; W232-M336 HydrophobicContact CZ2-CE 3.95Å; W232-M336 HydrophobicContact CZ2-CG 3.77Å; W232-M336 HydrophobicContact CZ2-SD 3.52Å; W232-M336 VanDerWaalsContact CZ2-SD 3.52Å; Y262-M336 HydrophobicContact CD1-CG 3.56Å; Y262-M336 HydrophobicContact CD1-SD 4.47Å; Y262-M336 HydrophobicContact CE1-CG 3.85Å; Y262-M336 HydrophobicContact CE1-SD 4.16Å; M292-M336 PolarHBondContact N-O 3.08Å; T331-M336 VanDerWaalsContact CB-SD 3.58Å; T331-M336 HydrophobicContact CG2-CE 3.33Å; T331-M336 HydrophobicContact CG2-SD 3.52Å; T331-M336 VanDerWaalsContact CG2-SD 3.52Å; C334-M336 HydrophobicContact CB-CG 4.44Å; C334-M336 WeakPolarHBondContact O-CG 3.41Å; C334-M336 PolarHBondContact O-N 3.12Å; M336-K338 PolarHBondContact O-N 2.99Å
337	W	94.7	Very high	83.9	Confident	9 Å²	9	47.5 Å²	47.5	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.4	165.9	-72.1	103.3	0	0	0	109.5	W232 D257 Y260 P261 Y262 R280 R289 T290 C291	W232-W337 WeakPolarHBondContact CZ3-O 3.01Å; D257-W337 PolarHBondContact OD1-NE1 3.29Å; Y260-W337 AromaticContact CD2-CD1 3.85Å; Y260-W337 HydrophobicContact CD2-CG 4.35Å; Y260-W337 HydrophobicContact CE2-CB 4.48Å; P261-W337 PolarHBondContact O-N 2.97Å; P261-W337 VanDerWaalsContact O-N 3.13Å; Y262-W337 PolarHBondContact O-NE1 3.4Å; R280-W337 HydrophobicContact CB-CH2 4.47Å; R280-W337 HydrophobicContact CB-CZ3 4.28Å; R280-W337 VanDerWaalsContact CD-CH2 3.44Å; R280-W337 HydrophobicContact CG-CH2 3.83Å; R280-W337 HydrophobicContact CG-CZ3 4.07Å; R289-W337 HydrophobicContact CB-CE3 4.2Å; R289-W337 HydrophobicContact CG-CE3 3.9Å; R289-W337 VanDerWaalsContact NH1-CG 3.31Å; T290-W337 VanDerWaalsContact C-CE3 3.47Å; T290-W337 WeakPolarHBondContact O-CA 3.14Å; C291-W337 HydrophobicContact CB-CE3 4.24Å; C291-W337 HydrophobicContact CB-CH2 4.22Å; C291-W337 HydrophobicContact CB-CZ3 4.08Å
338	K	92	Very high	82.5	Confident	49 Å²	49	52.8 Å²	52.8	21%	0.213	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	158.7	173.5	-60.9	-166.9	-172	169	0	110.4	R289 T290 M292 D327 D328 M336 N340	R289-K338 CarbonylContact C-O 3.5Å; R289-K338 WeakPolarHBondContact CA-O 3.42Å; R289-K338 VanDerWaalsContact CB-O 3.25Å; R289-K338 WeakPolarHBondContact CB-O 3.43Å; T290-K338 PolarHBondContact N-O 3.12Å; T290-K338 PolarHBondContact O-N 3Å; M292-K338 HydrophobicContact CG-CB 4.2Å; M292-K338 HydrophobicContact CG-CD 3.78Å; M292-K338 HydrophobicContact CG-CG 3.94Å; D327-K338 IonicContact OD1-NZ 2.71Å; D327-K338 PolarHBondContact OD1-NZ 3.37Å; D327-K338 IonicContact OD2-NZ 3.59Å; D328-K338 VanDerWaalsContact CB-NZ 3.31Å; D328-K338 IonicContact OD2-NZ 3.18Å; D328-K338 PolarHBondContact OD2-NZ 3.31Å; M336-K338 PolarHBondContact O-N 2.99Å; K338-N340 PolarHBondContact O-N 3.46Å
339	I	92.2	Very high	81.2	Confident	24 Å²	24	55.8 Å²	55.8	12%	0.123	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.4	171	-57.2	173.6	0	0	0	108.1	P202 T203 Y287 Q341 D351	P202-I339 HydrophobicContact CB-CD1 4.37Å; P202-I339 HydrophobicContact CG-CD1 4.38Å; T203-I339 HydrophobicContact CG2-CD1 3.73Å; Y287-I339 HydrophobicContact CD1-CD1 4.45Å; Y287-I339 HydrophobicContact CD1-CG1 4.45Å; Y287-I339 HydrophobicContact CD2-CB 4.23Å; Y287-I339 HydrophobicContact CD2-CD1 4.47Å; Y287-I339 HydrophobicContact CD2-CG1 3.65Å; Y287-I339 HydrophobicContact CD2-CG2 4.11Å; Y287-I339 HydrophobicContact CE2-CG1 3.69Å; Y287-I339 HydrophobicContact CG-CD1 4.41Å; Y287-I339 HydrophobicContact CG-CG1 4.05Å; Y287-I339 HydrophobicContact CG-CG2 4.28Å; I339-Q341 PolarHBondContact O-N 3.4Å; I339-D351 WeakPolarHBondContact CG2-O 3.48Å
340	N	91.4	Very high	80.6	Confident	20 Å²	20	51.7 Å²	51.7	11%	0.107	24%	0.243	C	C	.	.			trans	-77.3	94.9	179.5	-177.8	79.4	0	0	0	110	L279 V288 T290 K338	L279-N340 HydrophobicContact CD2-CB 4.18Å; L279-N340 WeakPolarHBondContact CD2-OD1 3.35Å; V288-N340 HydrophobicContact CB-CB 4.29Å; V288-N340 HydrophobicContact CG1-CB 3.99Å; V288-N340 PolarHBondContact O-N 2.8Å; T290-N340 HydrophobicContact CG2-CB 3.94Å; K338-N340 PolarHBondContact O-N 3.46Å
341	Q	84.7	Confident	80.1	Confident	61 Å²	61	51.1 Å²	51.1	29%	0.285	24%	0.241	S	C	.	.			trans	-82.5	134.1	172.8	-60.3	-175	-70	0	0	110.3	P202 I339 S350	P202-Q341 HydrophobicContact CG-CG 4.19Å; I339-Q341 PolarHBondContact O-N 3.4Å; Q341-S350 VanDerWaalsContact CB-O 3.27Å; Q341-S350 WeakPolarHBondContact CB-O 3.48Å; Q341-S350 WeakPolarHBondContact CG-O 3.31Å
342	R	79.8	Confident	79.8	Confident	25 Å²	25	51.3 Å²	51.3	9%	0.094	24%	0.243	C	C	.	.			trans	-112.6	151.1	173.5	-62.4	-165.5	-168.9	152.8	18.3	111.1	E349 S350 L361 L364 E370 E404	R342-E349 PolarHBondContact O-N 3.38Å; R342-S350 WeakPolarHBondContact O-CB 3.25Å; R342-S350 PolarHBondContact O-N 3.31Å; R342-L361 HydrophobicContact CB-CD2 4.45Å; R342-L364 HydrophobicContact CB-CD1 4.4Å; R342-E370 IonicContact CZ-OE2 3.59Å; R342-E370 IonicContact NH1-OE2 3.1Å; R342-E370 PolarHBondContact NH1-OE2 3.13Å; R342-E370 IonicContact NH2-OE1 2.94Å; R342-E370 IonicContact NH2-OE2 2.67Å; R342-E370 PolarHBondContact NH2-OE2 3.38Å; R342-E404 IonicContact CZ-OE1 3.8Å; R342-E404 IonicContact CZ-OE2 2.74Å; R342-E404 IonicContact NE-OE1 2.89Å; R342-E404 IonicContact NH1-OE1 3.64Å; R342-E404 IonicContact NH1-OE2 2.72Å; R342-E404 PolarHBondContact NH1-OE2 3.23Å
343	G	70.2	Confident	79.9	Confident	30 Å²	30	51.4 Å²	51.4	31%	0.309	24%	0.243	S	C	.	.	S	Bend	trans	162.3	177.5	178.3	0	0	0	0	0	111.6	K347	G343-K347 CarbonylContact C-O 3.54Å; G343-K347 VanDerWaalsContact CA-O 3.24Å; G343-K347 WeakPolarHBondContact CA-O 3.24Å
344	S	58.9	Low	80	Confident	56 Å²	56	49.6 Å²	49.6	39%	0.392	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-69.7	156.3	168.3	74.6	0	0	0	0	109.8	K346 K347	S344-K346 PolarHBondContact O-N 3.28Å; S344-K347 PolarHBondContact N-O 3.12Å; S344-K347 CarbonylContact O-C 3.36Å; S344-K347 PolarHBondContact O-N 2.96Å; S344-K347 VanDerWaalsContact O-O 3.07Å; S344-K347 PolarHBondContact OG-N 3.4Å
345	E	55.6	Low	79.9	Confident	205 Å²	205	51.5 Å²	51.5	96%	0.958	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-28.3	-179.6	-72.8	-178.4	166.1	0	0	113.5
346	K	53.9	Low	79.7	Confident	177 Å²	177	54 Å²	54	77%	0.77	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-17.6	179.7	-64.4	-173	178.2	-177.3	0	114.3	S344	S344-K346 PolarHBondContact O-N 3.28Å
347	K	58.4	Low	79.5	Confident	95 Å²	95	57.8 Å²	57.8	41%	0.413	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-139.4	93.6	-176.2	-62.2	-176.7	-178.4	179.9	0	108.9	G343 S344 E349	G343-K347 CarbonylContact C-O 3.54Å; G343-K347 VanDerWaalsContact CA-O 3.24Å; G343-K347 WeakPolarHBondContact CA-O 3.24Å; S344-K347 PolarHBondContact N-O 3.12Å; S344-K347 CarbonylContact O-C 3.36Å; S344-K347 PolarHBondContact O-N 2.96Å; S344-K347 VanDerWaalsContact O-O 3.07Å; S344-K347 PolarHBondContact OG-N 3.4Å; K347-E349 VanDerWaalsContact C-N 3.29Å; K347-E349 HydrophobicContact CB-CG 4.09Å; K347-E349 PolarHBondContact O-N 3.38Å
348	R	62.2	Low	79	Confident	173 Å²	173	61 Å²	61	65%	0.653	30%	0.303	S	S	*	.			trans	-73.1	89.9	165.3	-68.6	-174.2	-177.7	-177.7	3.1	107.6
349	E	62.6	Low	78.8	Confident	81 Å²	81	58.8 Å²	58.8	38%	0.379	29%	0.293	S	S	.	.			trans	-76.1	-27.1	-175	-60.7	-169.2	153.7	0	0	112.9	R342 K347	R342-E349 PolarHBondContact O-N 3.38Å; K347-E349 VanDerWaalsContact C-N 3.29Å; K347-E349 HydrophobicContact CB-CG 4.09Å; K347-E349 PolarHBondContact O-N 3.38Å
350	S	78.7	Confident	78.7	Confident	7 Å²	7	60 Å²	60	5%	0.049	30%	0.299	C	S	.	.			trans	-101.7	131.7	-175.3	175.3	0	0	0	0	111.9	Q341 R342 G352 N359	Q341-S350 VanDerWaalsContact CB-O 3.27Å; Q341-S350 WeakPolarHBondContact CB-O 3.48Å; Q341-S350 WeakPolarHBondContact CG-O 3.31Å; R342-S350 WeakPolarHBondContact O-CB 3.25Å; R342-S350 PolarHBondContact O-N 3.31Å; S350-G352 PolarHBondContact OG-N 3.01Å; S350-N359 WeakPolarHBondContact CA-OD1 3.48Å; S350-N359 WeakPolarHBondContact CB-OD1 3.39Å; S350-N359 VanDerWaalsContact OG-CG 3.23Å; S350-N359 PolarHBondContact OG-OD1 3.47Å; S350-N359 VanDerWaalsContact OG-OD1 3.06Å
351	D	82.2	Confident	78.2	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.3	C	S	.	.			trans	-79.9	-6.7	166.9	65.5	29	0	0	0	113.2	P202 I339 I353 H356 H358 N359	P202-D351 HydrophobicContact CB-CB 3.73Å; I339-D351 WeakPolarHBondContact CG2-O 3.48Å; D351-I353 VanDerWaalsContact C-N 3.26Å; D351-I353 PolarHBondContact O-N 3.17Å; D351-I353 VanDerWaalsContact OD1-CB 3.27Å; D351-I353 WeakPolarHBondContact OD1-CB 3Å; D351-I353 WeakPolarHBondContact OD1-CG1 3.27Å; D351-I353 PolarHBondContact OD1-N 3.19Å; D351-H356 IonicContact OD1-ND1 3.09Å; D351-H356 PolarHBondContact OD1-ND1 3.47Å; D351-H356 IonicContact OD2-CE1 2.8Å; D351-H356 PolarHBondContact OD2-CE1 3.17Å; D351-H356 IonicContact OD2-CG 3.15Å; D351-H356 IonicContact OD2-ND1 3.79Å; D351-H356 PolarHBondContact OD2-ND1 2.86Å; D351-H358 IonicContact OD2-CE1 3.25Å; D351-H358 PolarHBondContact OD2-CE1 2.68Å; D351-H358 IonicContact OD2-NE2 2.74Å; D351-H358 PolarHBondContact OD2-NE2 2.67Å; D351-N359 PolarHBondContact N-OD1 2.76Å; D351-N359 PolarHBondContact OD1-ND2 3.19Å; D351-N359 PolarHBondContact OD1-OD1 3.08Å
352	G	87.7	Confident	77.9	Confident	4 Å²	4	65.7 Å²	65.7	4%	0.041	32%	0.322	C	S	.	.			trans	77.1	0.7	177.1	0	0	0	0	0	115.4	Y287 S350 N359	Y287-G352 WeakPolarHBondContact CB-O 3.09Å; S350-G352 PolarHBondContact OG-N 3.01Å; G352-N359 PolarHBondContact N-ND2 3.02Å
353	I	92.6	Very high	77.6	Confident	19 Å²	19	70.2 Å²	70.2	10%	0.097	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-78.9	125.1	179.3	-59.4	170.3	0	0	0	109.9	T203 D351 S355 H356 N359 F372	T203-I353 HydrophobicContact CG2-CD1 3.94Å; D351-I353 VanDerWaalsContact C-N 3.26Å; D351-I353 PolarHBondContact O-N 3.17Å; D351-I353 VanDerWaalsContact OD1-CB 3.27Å; D351-I353 WeakPolarHBondContact OD1-CB 3Å; D351-I353 WeakPolarHBondContact OD1-CG1 3.27Å; D351-I353 PolarHBondContact OD1-N 3.19Å; I353-S355 VanDerWaalsContact C-N 3.27Å; I353-S355 WeakPolarHBondContact CG2-OG 3.16Å; I353-S355 PolarHBondContact O-N 3.43Å; I353-H356 HydrophobicContact CB-CB 4.34Å; I353-H356 PolarHBondContact O-N 2.93Å; I353-N359 PolarHBondContact N-ND2 3.2Å; I353-N359 VanDerWaalsContact N-ND2 3.17Å; I353-N359 PolarHBondContact O-ND2 2.69Å; I353-F372 WeakPolarHBondContact O-CD1 3.21Å
354	C	95.6	Very high	77.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-34	-173.3	-64.3	0	0	0	0	112.7	D286 H356 F372 G373 S376 C378 C411	D286-C354 PolarHBondContact O-N 2.96Å; C354-H356 PolarHBondContact O-N 3.24Å; C354-F372 WeakPolarHBondContact O-CA 3.46Å; C354-G373 PolarHBondContact O-N 2.84Å; C354-S376 WeakPolarHBondContact CB-O 3.26Å; C354-S376 VanDerWaalsContact O-CB 3.28Å; C354-S376 WeakPolarHBondContact O-CB 3.39Å; C354-C378 PolarHBondContact SG-N 2.83Å; C354-C411 WeakPolarHBondContact CA-SG 3.42Å; C354-C411 HydrophobicContact CB-CB 3.63Å; C354-C411 WeakPolarHBondContact CB-SG 3.14Å; C354-C411 WeakPolarHBondContact SG-CB 3.5Å; C354-C411 CovalentContact SG-SG 2.04Å; C354-C411 PolarHBondContact SG-SG 2.78Å
355	S	94.3	Very high	79.2	Confident	39 Å²	39	70.4 Å²	70.4	27%	0.273	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.2	-178	61.9	0	0	0	0	114.1	I353 S357 G373 K374	I353-S355 VanDerWaalsContact C-N 3.27Å; I353-S355 WeakPolarHBondContact CG2-OG 3.16Å; I353-S355 PolarHBondContact O-N 3.43Å; S355-S357 PolarHBondContact O-N 2.81Å; S355-G373 CarbonylContact C-O 3.5Å; S355-G373 WeakPolarHBondContact CA-O 3.49Å; S355-G373 CarbonylContact O-C 3.53Å; S355-K374 PolarHBondContact O-N 2.89Å
356	H	90.9	Very high	80.9	Confident	53 Å²	53	60.8 Å²	60.8	25%	0.245	29%	0.289	C	S	.	.			trans	-91.9	102.6	-170.5	-74	-174.1	0	0	0	111.8	D351 I353 C354 H358 N359 F372	D351-H356 IonicContact OD1-ND1 3.09Å; D351-H356 PolarHBondContact OD1-ND1 3.47Å; D351-H356 IonicContact OD2-CE1 2.8Å; D351-H356 PolarHBondContact OD2-CE1 3.17Å; D351-H356 IonicContact OD2-CG 3.15Å; D351-H356 IonicContact OD2-ND1 3.79Å; D351-H356 PolarHBondContact OD2-ND1 2.86Å; I353-H356 HydrophobicContact CB-CB 4.34Å; I353-H356 PolarHBondContact O-N 2.93Å; C354-H356 PolarHBondContact O-N 3.24Å; H356-H358 AromaticContact CG-CE1 3.86Å; H356-H358 AromaticContact ND1-CE1 3.59Å; H356-H358 PolarHBondContact O-N 3.21Å; H356-N359 VanDerWaalsContact O-CB 3.31Å; H356-N359 WeakPolarHBondContact O-CB 3.38Å; H356-N359 PolarHBondContact O-N 2.94Å; H356-F372 WeakPolarHBondContact O-CB 3.15Å
357	S	90.1	Very high	82.7	Confident	86 Å²	86	54.3 Å²	54.3	60%	0.601	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58.1	-20.7	-177.9	61.1	0	0	0	0	115.7	S355 N359 Q360	S355-S357 PolarHBondContact O-N 2.81Å; S357-N359 PolarHBondContact O-N 3.31Å; S357-Q360 WeakPolarHBondContact O-CB 3.44Å; S357-Q360 PolarHBondContact O-N 3.01Å
358	H	85.3	Confident	84.4	Confident	76 Å²	76	50 Å²	50	35%	0.352	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-70	-19.2	176.8	71.3	-95.7	0	0	0	112.8	D351 H356 Q360	D351-H358 IonicContact OD2-CE1 3.25Å; D351-H358 PolarHBondContact OD2-CE1 2.68Å; D351-H358 IonicContact OD2-NE2 2.74Å; D351-H358 PolarHBondContact OD2-NE2 2.67Å; H356-H358 AromaticContact CG-CE1 3.86Å; H356-H358 AromaticContact ND1-CE1 3.59Å; H356-H358 PolarHBondContact O-N 3.21Å; H358-Q360 PolarHBondContact O-N 3.46Å
359	N	87.9	Confident	85.9	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-73.6	-4.8	175.4	-69.1	-25.7	0	0	0	114	S350 D351 G352 I353 H356 S357 L361 F372	S350-N359 WeakPolarHBondContact CA-OD1 3.48Å; S350-N359 WeakPolarHBondContact CB-OD1 3.39Å; S350-N359 VanDerWaalsContact OG-CG 3.23Å; S350-N359 PolarHBondContact OG-OD1 3.47Å; S350-N359 VanDerWaalsContact OG-OD1 3.06Å; D351-N359 PolarHBondContact N-OD1 2.76Å; D351-N359 PolarHBondContact OD1-ND2 3.19Å; D351-N359 PolarHBondContact OD1-OD1 3.08Å; G352-N359 PolarHBondContact N-ND2 3.02Å; I353-N359 PolarHBondContact N-ND2 3.2Å; I353-N359 VanDerWaalsContact N-ND2 3.17Å; I353-N359 PolarHBondContact O-ND2 2.69Å; H356-N359 VanDerWaalsContact O-CB 3.31Å; H356-N359 WeakPolarHBondContact O-CB 3.38Å; H356-N359 PolarHBondContact O-N 2.94Å; S357-N359 PolarHBondContact O-N 3.31Å; N359-L361 PolarHBondContact O-N 3.18Å; N359-L361 VanDerWaalsContact O-N 3.13Å; N359-F372 HydrophobicContact CB-CB 4.18Å; N359-F372 HydrophobicContact CB-CD1 3.34Å; N359-F372 HydrophobicContact CB-CD2 4.18Å; N359-F372 HydrophobicContact CB-CE1 3.63Å; N359-F372 HydrophobicContact CB-CE2 4.43Å; N359-F372 HydrophobicContact CB-CG 3.64Å; N359-F372 HydrophobicContact CB-CZ 4.18Å
360	Q	88.9	Confident	87.5	Confident	50 Å²	50	38 Å²	38	23%	0.234	19%	0.194	C	C	.	.	S	Bend	trans	-58.9	120.9	179.4	-172.4	60.9	53.8	0	0	110.4	S357 H358 K362 E370 F372	S357-Q360 WeakPolarHBondContact O-CB 3.44Å; S357-Q360 PolarHBondContact O-N 3.01Å; H358-Q360 PolarHBondContact O-N 3.46Å; Q360-K362 PolarHBondContact O-N 2.03Å; Q360-E370 PolarHBondContact NE2-O 3.09Å; Q360-F372 VanDerWaalsContact OE1-N 3.14Å
361	L	82.8	Confident	88.2	Confident	26 Å²	26	39 Å²	39	14%	0.136	20%	0.199	C	C	.	.			trans	-64.8	102.7	-175.5	-55.6	174.1	0	0	0	110.6	R342 N359 N366	R342-L361 HydrophobicContact CB-CD2 4.45Å; N359-L361 PolarHBondContact O-N 3.18Å; N359-L361 VanDerWaalsContact O-N 3.13Å; L361-N366 HydrophobicContact CB-CB 4.43Å; L361-N366 HydrophobicContact CD1-CB 4.14Å
362	K	77.2	Confident	88.8	Confident	173 Å²	173	40 Å²	40	75%	0.752	20%	0.203	S	C	*	.	S	Bend	trans	-100.7	-41.6	177.7	-69.7	174.8	-173.5	173.5	0	112.1	Q360	Q360-K362 PolarHBondContact O-N 2.03Å
363	E	73.1	Confident	89.1	Confident	121 Å²	121	40.5 Å²	40.5	57%	0.565	21%	0.208	S	C	*	.	S	Bend	trans	-92.8	-9.4	-177.4	-56.1	-162.2	163.3	0	0	113.4
364	L	77.7	Confident	89.2	Confident	72 Å²	72	49.2 Å²	49.2	38%	0.377	25%	0.245	S	C	.	.	S	Bend	trans	-120.6	147.6	-178.7	-61.7	175.6	0	0	0	110.6	R342 N366	R342-L364 HydrophobicContact CB-CD1 4.4Å; L364-N366 PolarHBondContact O-N 2.85Å
365	D	85.4	Confident	89.2	Confident	18 Å²	18	51.9 Å²	51.9	10%	0.096	26%	0.264	C	S	.	.			trans	-60.7	124.9	171.5	-76.1	9.7	0	0	0	110.2	Y367 K387 D455 S456	D365-Y367 HydrophobicContact CB-CD2 3.77Å; D365-Y367 HydrophobicContact CB-CE2 3.37Å; D365-Y367 WeakPolarHBondContact O-CD2 3.31Å; D365-Y367 PolarHBondContact O-N 3.12Å; D365-Y367 PolarHBondContact OD2-OH 3.24Å; D365-K387 IonicContact OD2-NZ 3.04Å; D365-K387 PolarHBondContact OD2-NZ 3.26Å; D365-D455 WeakPolarHBondContact OD1-CB 3.44Å; D365-S456 WeakPolarHBondContact OD1-CB 3.08Å; D365-S456 PolarHBondContact OD1-N 2.78Å; D365-S456 PolarHBondContact OD1-OG 3.39Å
366	N	91	Very high	89.3	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	25%	0.252	C	S	.	.			trans	-80.6	67.9	178.2	-171.8	2.1	0	0	0	111.6	L361 L364 G368 L369 E370	L361-N366 HydrophobicContact CB-CB 4.43Å; L361-N366 HydrophobicContact CD1-CB 4.14Å; L364-N366 PolarHBondContact O-N 2.85Å; N366-G368 VanDerWaalsContact C-N 3.31Å; N366-G368 PolarHBondContact O-N 3.24Å; N366-L369 PolarHBondContact O-N 2.94Å; N366-L369 VanDerWaalsContact O-N 3.11Å; N366-L369 PolarHBondContact OD1-N 2.69Å; N366-E370 PolarHBondContact ND2-N 2.85Å; N366-E370 PolarHBondContact ND2-O 3.16Å; N366-E370 PolarHBondContact OD1-N 3.47Å
367	Y	92.6	Very high	89.6	Confident	40 Å²	40	50.9 Å²	50.9	16%	0.157	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-46.2	-178.7	-72.8	-83.4	0	0	0	112.6	D365 L369 F385 K387 A402 E404 Y463	D365-Y367 HydrophobicContact CB-CD2 3.77Å; D365-Y367 HydrophobicContact CB-CE2 3.37Å; D365-Y367 WeakPolarHBondContact O-CD2 3.31Å; D365-Y367 PolarHBondContact O-N 3.12Å; D365-Y367 PolarHBondContact OD2-OH 3.24Å; Y367-L369 PolarHBondContact O-N 3.09Å; Y367-F385 VanDerWaalsContact O-CB 3.3Å; Y367-F385 WeakPolarHBondContact O-CB 3.48Å; Y367-F385 VanDerWaalsContact O-CD1 3.29Å; Y367-F385 WeakPolarHBondContact O-CD1 3.2Å; Y367-K387 HydrophobicContact CD1-CB 3.92Å; Y367-K387 HydrophobicContact CE1-CB 3.62Å; Y367-K387 HydrophobicContact CE1-CD 4.34Å; Y367-A402 HydrophobicContact CE1-CB 4.04Å; Y367-E404 HydrophobicContact CD2-CB 3.92Å; Y367-E404 HydrophobicContact CG-CB 4.1Å; Y367-Y463 HydrophobicContact CD1-CE1 4.14Å; Y367-Y463 HydrophobicContact CG-CE1 4.46Å
368	G	93.4	Very high	90	Very high	4 Å²	4	46.8 Å²	46.8	4%	0.041	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-1	-179.6	0	0	0	0	0	115.4	N366 E370 F385 Y412	N366-G368 VanDerWaalsContact C-N 3.31Å; N366-G368 PolarHBondContact O-N 3.24Å; G368-E370 PolarHBondContact O-N 2.77Å; G368-F385 WeakPolarHBondContact O-CE1 3.27Å; G368-Y412 VanDerWaalsContact O-CE1 3.27Å; G368-Y412 WeakPolarHBondContact O-CE1 3.18Å; G368-Y412 PolarHBondContact O-OH 3.41Å
369	L	94.6	Very high	90.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.			trans	53.8	38	-173.6	-62.5	174	0	0	0	113	N366 Y367 F385 A425 S426 L449 R451 Q453 Y463	N366-L369 PolarHBondContact O-N 2.94Å; N366-L369 VanDerWaalsContact O-N 3.11Å; N366-L369 PolarHBondContact OD1-N 2.69Å; Y367-L369 PolarHBondContact O-N 3.09Å; L369-F385 HydrophobicContact CB-CE1 4.25Å; L369-F385 HydrophobicContact CD1-CD1 4.33Å; L369-F385 HydrophobicContact CD1-CE1 4.01Å; L369-F385 HydrophobicContact CG-CD1 4.31Å; L369-F385 HydrophobicContact CG-CE1 4.24Å; L369-A425 HydrophobicContact CB-CB 4.05Å; L369-A425 WeakPolarHBondContact O-CB 3.37Å; L369-S426 WeakPolarHBondContact O-CB 3.4Å; L369-S426 PolarHBondContact O-N 3.4Å; L369-L449 HydrophobicContact CD1-CB 4.29Å; L369-L449 HydrophobicContact CD1-CD1 4.39Å; L369-R451 HydrophobicContact CD1-CB 3.64Å; L369-R451 HydrophobicContact CD1-CG 3.81Å; L369-R451 HydrophobicContact CD2-CB 4.08Å; L369-Q453 HydrophobicContact CD2-CB 4.43Å; L369-Q453 VanDerWaalsContact CD2-OE1 3.23Å; L369-Y463 HydrophobicContact CD2-CD1 4.46Å; L369-Y463 HydrophobicContact CD2-CD2 4.45Å; L369-Y463 HydrophobicContact CD2-CG 3.97Å; L369-Y463 HydrophobicContact CG-CG 4.49Å
370	E	94.5	Very high	91.1	Very high	2 Å²	2	45 Å²	45	1%	0.009	22%	0.215	C	C	.	.			trans	-75.8	146.9	-173.3	-65.4	177	84.4	0	0	112.3	R342 Q360 N366 G368 F372 G410 C411	R342-E370 IonicContact CZ-OE2 3.59Å; R342-E370 IonicContact NH1-OE2 3.1Å; R342-E370 PolarHBondContact NH1-OE2 3.13Å; R342-E370 IonicContact NH2-OE1 2.94Å; R342-E370 IonicContact NH2-OE2 2.67Å; R342-E370 PolarHBondContact NH2-OE2 3.38Å; Q360-E370 PolarHBondContact NE2-O 3.09Å; N366-E370 PolarHBondContact ND2-N 2.85Å; N366-E370 PolarHBondContact ND2-O 3.16Å; N366-E370 PolarHBondContact OD1-N 3.47Å; G368-E370 PolarHBondContact O-N 2.77Å; E370-F372 HydrophobicContact CB-CD2 4.49Å; E370-F372 HydrophobicContact CB-CE2 3.88Å; E370-G410 VanDerWaalsContact OE1-CA 3.28Å; E370-G410 WeakPolarHBondContact OE1-CA 3.45Å; E370-C411 CarbonylContact C-O 3.55Å; E370-C411 WeakPolarHBondContact CA-O 3.39Å; E370-C411 VanDerWaalsContact CB-O 3.31Å; E370-C411 WeakPolarHBondContact CB-O 3.41Å; E370-C411 PolarHBondContact OE1-N 2.9Å
371	L	94.7	Very high	91.5	Very high	30 Å²	30	43 Å²	43	16%	0.157	21%	0.206	C	C	.	.			trans	-125.4	126.6	172.3	-71.3	175.9	0	0	0	108.7	S376 C411 D413 R424	L371-S376 WeakPolarHBondContact O-CB 3.27Å; L371-S376 PolarHBondContact O-OG 3.05Å; L371-C411 PolarHBondContact N-O 3.03Å; L371-C411 CarbonylContact O-C 3.52Å; L371-D413 HydrophobicContact CB-CB 4.23Å; L371-D413 HydrophobicContact CD1-CB 4.03Å; L371-R424 HydrophobicContact CD1-CG 3.92Å
372	F	93.9	Very high	92.1	Very high	22 Å²	22	46 Å²	46	10%	0.096	22%	0.222	C	C	.	.			trans	-108.2	135.6	175.8	-67.1	-94.4	0	0	0	110.7	I353 C354 H356 N359 Q360 E370 C411	I353-F372 WeakPolarHBondContact O-CD1 3.21Å; C354-F372 WeakPolarHBondContact O-CA 3.46Å; H356-F372 WeakPolarHBondContact O-CB 3.15Å; N359-F372 HydrophobicContact CB-CB 4.18Å; N359-F372 HydrophobicContact CB-CD1 3.34Å; N359-F372 HydrophobicContact CB-CD2 4.18Å; N359-F372 HydrophobicContact CB-CE1 3.63Å; N359-F372 HydrophobicContact CB-CE2 4.43Å; N359-F372 HydrophobicContact CB-CG 3.64Å; N359-F372 HydrophobicContact CB-CZ 4.18Å; Q360-F372 VanDerWaalsContact OE1-N 3.14Å; E370-F372 HydrophobicContact CB-CD2 4.49Å; E370-F372 HydrophobicContact CB-CE2 3.88Å; F372-C411 HydrophobicContact CD1-CB 4.05Å; F372-C411 HydrophobicContact CE1-CB 3.74Å; F372-C411 WeakPolarHBondContact CE1-SG 3.39Å; F372-C411 HydrophobicContact CE2-CB 4.41Å; F372-C411 HydrophobicContact CZ-CB 3.93Å
373	G	94.4	Very high	92.9	Very high	14 Å²	14	40.2 Å²	40.2	14%	0.144	20%	0.201	C	C	.	.	S	Bend	trans	163.8	169	-176.4	0	0	0	0	0	111.9	C354 S355 S375 S376	C354-G373 PolarHBondContact O-N 2.84Å; S355-G373 CarbonylContact C-O 3.5Å; S355-G373 WeakPolarHBondContact CA-O 3.49Å; S355-G373 CarbonylContact O-C 3.53Å; G373-S375 PolarHBondContact O-N 3.24Å; G373-S376 PolarHBondContact N-OG 2.73Å; G373-S376 VanDerWaalsContact O-CB 3.28Å; G373-S376 WeakPolarHBondContact O-CB 3.34Å; G373-S376 PolarHBondContact O-N 3.08Å
374	K	95	Very high	93.9	Very high	202 Å²	202	36.8 Å²	36.8	88%	0.878	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.5	-169.4	-66.6	-175.5	177.2	-176.3	0	115	S355	S355-K374 PolarHBondContact O-N 2.89Å
375	S	95.3	Very high	94.8	Very high	56 Å²	56	33.6 Å²	33.6	39%	0.392	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	18.6	178.7	48.9	0	0	0	0	113.4	G373 D413 H414	G373-S375 PolarHBondContact O-N 3.24Å; S375-D413 VanDerWaalsContact CB-OD1 3.23Å; S375-D413 WeakPolarHBondContact CB-OD1 3.27Å; S375-D413 PolarHBondContact OG-OD1 3.29Å; S375-H414 PolarHBondContact O-CE1 3.42Å; S375-H414 PolarHBondContact O-N 3.14Å; S375-H414 PolarHBondContact O-ND1 3.45Å
376	S	97.3	Very high	95.2	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.9	177.2	-67.3	0	0	0	0	112.2	C354 L371 G373 Y412	C354-S376 WeakPolarHBondContact CB-O 3.26Å; C354-S376 VanDerWaalsContact O-CB 3.28Å; C354-S376 WeakPolarHBondContact O-CB 3.39Å; L371-S376 WeakPolarHBondContact O-CB 3.27Å; L371-S376 PolarHBondContact O-OG 3.05Å; G373-S376 PolarHBondContact N-OG 2.73Å; G373-S376 VanDerWaalsContact O-CB 3.28Å; G373-S376 WeakPolarHBondContact O-CB 3.34Å; G373-S376 PolarHBondContact O-N 3.08Å; S376-Y412 CarbonylContact C-O 3.56Å; S376-Y412 WeakPolarHBondContact CA-O 3.03Å
377	R	97.5	Very high	95.4	Very high	67 Å²	67	35 Å²	35	25%	0.253	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	162.9	176	-65.8	-73.5	-175.3	-150.3	-1.6	110.3	R285 F379 C411 Y412 H414 I475 E479	R285-R377 HydrophobicContact CB-CB 4.38Å; R285-R377 CarbonylContact O-C 3.55Å; R285-R377 WeakPolarHBondContact O-CA 3.06Å; R285-R377 WeakPolarHBondContact O-CD 3.48Å; R377-F379 HydrophobicContact CB-CE2 3.95Å; R377-F379 WeakPolarHBondContact O-CD2 3.33Å; R377-C411 WeakPolarHBondContact O-CA 3.05Å; R377-Y412 PolarHBondContact N-O 2.89Å; R377-Y412 PolarHBondContact O-N 2.8Å; R377-H414 WeakPolarHBondContact CG-CE1 3.44Å; R377-H414 WeakPolarHBondContact CG-ND1 3.4Å; R377-I475 HydrophobicContact CB-CD1 4.46Å; R377-E479 IonicContact CZ-OE1 2.69Å; R377-E479 VanDerWaalsContact CZ-OE1 3.25Å; R377-E479 IonicContact NE-OE1 2.69Å; R377-E479 PolarHBondContact NE-OE1 3.07Å; R377-E479 IonicContact NH2-OE1 3.14Å; R377-E479 PolarHBondContact NH2-OE1 2.82Å
378	C	98	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.7	174.2	-176.2	0	0	0	0	111.1	C281 R285 C354 G410	C281-C378 WeakPolarHBondContact CA-SG 3.35Å; C281-C378 HydrophobicContact CB-CB 3.7Å; C281-C378 WeakPolarHBondContact CB-SG 3.48Å; C281-C378 WeakPolarHBondContact SG-CB 3.44Å; C281-C378 PolarHBondContact SG-O 3.21Å; C281-C378 CovalentContact SG-SG 2.05Å; C281-C378 PolarHBondContact SG-SG 3.35Å; R285-C378 HydrophobicContact CB-CB 4.31Å; R285-C378 WeakPolarHBondContact CB-O 3.11Å; R285-C378 WeakPolarHBondContact CD-O 2.82Å; R285-C378 PolarHBondContact NH1-O 3.19Å; R285-C378 PolarHBondContact O-N 3.46Å; C354-C378 PolarHBondContact SG-N 2.83Å; C378-G410 WeakPolarHBondContact CA-O 3.22Å
379	F	98.2	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.5	170.4	-63.6	-115.5	0	0	0	109.9	C281 R377 A409 G410 Y412 H414 L421 L423 I467 P470 I475	C281-F379 PolarHBondContact SG-N 2.82Å; C281-F379 VanDerWaalsContact SG-N 3.37Å; R377-F379 HydrophobicContact CB-CE2 3.95Å; R377-F379 WeakPolarHBondContact O-CD2 3.33Å; F379-A409 CarbonylContact O-C 3.49Å; F379-A409 VanDerWaalsContact O-CA 3.25Å; F379-A409 WeakPolarHBondContact O-CA 3.26Å; F379-G410 PolarHBondContact N-O 3.02Å; F379-G410 PolarHBondContact O-N 3.13Å; F379-Y412 HydrophobicContact CB-CD2 3.65Å; F379-Y412 HydrophobicContact CB-CE2 3.92Å; F379-Y412 AromaticContact CD2-CD2 3.78Å; F379-Y412 HydrophobicContact CD2-CD2 3.78Å; F379-Y412 HydrophobicContact CD2-CG 4.37Å; F379-Y412 AromaticContact CG-CD2 3.98Å; F379-Y412 HydrophobicContact CG-CD2 3.98Å; F379-H414 HydrophobicContact CE2-CB 4.35Å; F379-H414 HydrophobicContact CZ-CB 4.04Å; F379-L421 HydrophobicContact CE1-CD2 4.12Å; F379-L421 HydrophobicContact CZ-CD2 4.46Å; F379-L423 HydrophobicContact CD1-CD2 3.9Å; F379-L423 HydrophobicContact CE1-CB 4.03Å; F379-L423 HydrophobicContact CE1-CD2 3.95Å; F379-L423 HydrophobicContact CZ-CB 4.05Å; F379-I467 HydrophobicContact CB-CG2 3.48Å; F379-I467 VanDerWaalsContact CB-CG2 3.48Å; F379-I467 HydrophobicContact CD1-CG2 4.17Å; F379-I467 HydrophobicContact CG-CG2 4.15Å; F379-P470 HydrophobicContact CD1-CG 4.05Å; F379-P470 VanDerWaalsContact CE1-CD 3.42Å; F379-P470 HydrophobicContact CE1-CG 3.81Å; F379-I475 HydrophobicContact CE1-CD1 4.34Å; F379-I475 HydrophobicContact CE2-CD1 4.49Å; F379-I475 HydrophobicContact CZ-CD1 3.92Å
380	E	97.6	Very high	94.9	Very high	42 Å²	42	37.6 Å²	37.6	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.8	174.8	-58.9	-69.2	164.9	0	0	108.9	C281 G408 I467 L468	C281-E380 WeakPolarHBondContact CB-OE1 3Å; C281-E380 PolarHBondContact N-OE1 2.96Å; E380-G408 CarbonylContact C-O 3.55Å; E380-G408 WeakPolarHBondContact CA-O 3.32Å; E380-I467 WeakPolarHBondContact O-CG2 3.42Å; E380-L468 HydrophobicContact CB-CB 4.28Å; E380-L468 PolarHBondContact O-N 2.89Å
381	Q	97	Very high	94.4	Very high	8 Å²	8	41 Å²	41	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.3	175	-64.1	168.5	-26.9	0	0	108.7	F385 G408 Y412 T466	Q381-F385 HydrophobicContact CB-CD2 4.45Å; Q381-F385 HydrophobicContact CB-CE2 4.08Å; Q381-F385 HydrophobicContact CG-CD2 4.17Å; Q381-F385 HydrophobicContact CG-CE2 3.67Å; Q381-G408 PolarHBondContact N-O 3.1Å; Q381-G408 VanDerWaalsContact OE1-N 3.08Å; Q381-Y412 WeakPolarHBondContact CG-OH 3.43Å; Q381-Y412 PolarHBondContact NE2-OH 3.26Å; Q381-T466 WeakPolarHBondContact CA-O 3.24Å
382	D	95.1	Very high	93.5	Very high	88 Å²	88	41.9 Å²	41.9	47%	0.471	23%	0.234	S	C	.	.	S	Bend	trans	-76	-43.7	177.6	-171.8	48.3	0	0	0	111.1	T466 L468	D382-T466 HydrophobicContact CB-CG2 3.92Å; D382-T466 PolarHBondContact N-O 3.12Å; D382-L468 HydrophobicContact CB-CD1 4.21Å; D382-L468 HydrophobicContact CB-CD2 3.77Å; D382-L468 HydrophobicContact CB-CG 3.77Å
383	T	94.8	Very high	92.3	Very high	52 Å²	52	45.5 Å²	45.5	32%	0.319	26%	0.26	S	S	.	.	S	Bend	trans	-112.9	155.2	-175.4	61.1	0	0	0	0	111.8	F385 T466	T383-F385 PolarHBondContact O-N 2.79Å; T383-T466 WeakPolarHBondContact OG1-CB 3.38Å; T383-T466 PolarHBondContact OG1-N 2.99Å; T383-T466 PolarHBondContact OG1-OG1 2.01Å
384	L	94.4	Very high	90.7	Very high	49 Å²	49	53.4 Å²	53.4	26%	0.257	29%	0.285	S	S	.	.			trans	-61.7	125.3	166	178.8	63.4	0	0	0	109.2	L276 V386 Y403 F407	L276-L384 HydrophobicContact CD1-CD1 4.12Å; L276-L384 HydrophobicContact CD1-CD2 4.2Å; L384-V386 HydrophobicContact CG-CG1 4.48Å; L384-Y403 HydrophobicContact CD1-CD2 4.28Å; L384-Y403 HydrophobicContact CD1-CG 4.5Å; L384-Y403 HydrophobicContact CD2-CD1 4.2Å; L384-Y403 HydrophobicContact CD2-CD2 3.76Å; L384-Y403 HydrophobicContact CD2-CE2 4.33Å; L384-Y403 HydrophobicContact CD2-CG 3.7Å; L384-Y403 HydrophobicContact CG-CD2 4.49Å; L384-Y403 HydrophobicContact CG-CG 4.35Å; L384-F407 HydrophobicContact CB-CD2 4.38Å; L384-F407 HydrophobicContact CB-CG 4.5Å; L384-F407 HydrophobicContact CD1-CB 3.71Å; L384-F407 HydrophobicContact CD1-CD1 4.06Å; L384-F407 HydrophobicContact CD1-CG 3.84Å
385	F	95.2	Very high	89.2	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.026	28%	0.283	C	S	.	.			trans	-75	133.1	173.6	-85.1	-117.1	0	0	0	110.4	Y367 G368 L369 Q381 T383 L449 K464 I467	Y367-F385 VanDerWaalsContact O-CB 3.3Å; Y367-F385 WeakPolarHBondContact O-CB 3.48Å; Y367-F385 VanDerWaalsContact O-CD1 3.29Å; Y367-F385 WeakPolarHBondContact O-CD1 3.2Å; G368-F385 WeakPolarHBondContact O-CE1 3.27Å; L369-F385 HydrophobicContact CB-CE1 4.25Å; L369-F385 HydrophobicContact CD1-CD1 4.33Å; L369-F385 HydrophobicContact CD1-CE1 4.01Å; L369-F385 HydrophobicContact CG-CD1 4.31Å; L369-F385 HydrophobicContact CG-CE1 4.24Å; Q381-F385 HydrophobicContact CB-CD2 4.45Å; Q381-F385 HydrophobicContact CB-CE2 4.08Å; Q381-F385 HydrophobicContact CG-CD2 4.17Å; Q381-F385 HydrophobicContact CG-CE2 3.67Å; T383-F385 PolarHBondContact O-N 2.79Å; F385-L449 HydrophobicContact CE1-CD1 4.36Å; F385-L449 HydrophobicContact CZ-CD1 4.4Å; F385-K464 WeakPolarHBondContact CA-O 3.2Å; F385-I467 HydrophobicContact CE2-CG1 4.41Å; F385-I467 HydrophobicContact CZ-CD1 4.44Å; F385-I467 HydrophobicContact CZ-CG1 3.87Å
386	V	95.4	Very high	87.9	Confident	30 Å²	30	57 Å²	57	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.6	-177.4	-61.8	0	0	0	0	111	L384 L388 A402 Y463 K464	L384-V386 HydrophobicContact CG-CG1 4.48Å; V386-L388 HydrophobicContact CG2-CD2 4.01Å; V386-L388 HydrophobicContact CG2-CG 4.24Å; V386-A402 CarbonylContact C-O 3.48Å; V386-A402 WeakPolarHBondContact CA-O 3.43Å; V386-Y463 VanDerWaalsContact O-CA 3.31Å; V386-Y463 WeakPolarHBondContact O-CA 3.45Å; V386-K464 HydrophobicContact CG2-CB 4Å; V386-K464 PolarHBondContact N-O 3.22Å; V386-K464 PolarHBondContact O-N 3.26Å
387	K	94.4	Very high	86.6	Confident	21 Å²	21	57.9 Å²	57.9	9%	0.091	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.4	165.8	-177.6	176.2	78.7	171.7	0	108.5	D365 Y367 Y401 A402 D455 N461 Y463	D365-K387 IonicContact OD2-NZ 3.04Å; D365-K387 PolarHBondContact OD2-NZ 3.26Å; Y367-K387 HydrophobicContact CD1-CB 3.92Å; Y367-K387 HydrophobicContact CE1-CB 3.62Å; Y367-K387 HydrophobicContact CE1-CD 4.34Å; K387-Y401 CarbonylContact O-C 3.47Å; K387-Y401 WeakPolarHBondContact O-CA 3.49Å; K387-A402 HydrophobicContact CB-CB 4.46Å; K387-A402 PolarHBondContact N-O 2.8Å; K387-A402 PolarHBondContact O-N 2.96Å; K387-D455 HydrophobicContact CD-CB 4.34Å; K387-D455 IonicContact NZ-OD2 3.61Å; K387-N461 HydrophobicContact CD-CB 4.08Å; K387-N461 HydrophobicContact CG-CB 3.69Å; K387-Y463 HydrophobicContact CB-CD1 4.05Å; K387-Y463 HydrophobicContact CB-CE1 3.68Å; K387-Y463 HydrophobicContact CD-CE1 4.06Å; K387-Y463 HydrophobicContact CD-CE2 4.27Å; K387-Y463 WeakPolarHBondContact CD-OH 3.35Å; K387-Y463 HydrophobicContact CG-CD1 4.45Å; K387-Y463 HydrophobicContact CG-CE1 3.87Å; K387-Y463 HydrophobicContact CG-CE2 4.02Å
388	L	93.6	Very high	85.9	Confident	33 Å²	33	64.2 Å²	64.2	17%	0.173	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.7	177.1	-55.6	177	0	0	0	109.1	V386 V399 D400 L462 P501	V386-L388 HydrophobicContact CG2-CD2 4.01Å; V386-L388 HydrophobicContact CG2-CG 4.24Å; L388-V399 HydrophobicContact CB-CG1 3.98Å; L388-V399 HydrophobicContact CD2-CG1 4.15Å; L388-D400 WeakPolarHBondContact CA-O 3.25Å; L388-L462 WeakPolarHBondContact CA-O 3.4Å; L388-L462 HydrophobicContact CB-CB 4.34Å; L388-L462 WeakPolarHBondContact CB-O 3.45Å; L388-L462 HydrophobicContact CD1-CD2 4.27Å; L388-L462 PolarHBondContact N-O 2.82Å; L388-L462 PolarHBondContact O-N 3.41Å; L388-P501 HydrophobicContact CB-CB 4.03Å; L388-P501 HydrophobicContact CB-CG 4.43Å
389	S	90.7	Very high	85.4	Confident	23 Å²	23	67.6 Å²	67.6	16%	0.161	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.6	-176.5	-44.7	0	0	0	0	109.4	V399 D400 N461	S389-V399 WeakPolarHBondContact O-CA 3.08Å; S389-D400 PolarHBondContact N-O 3.23Å; S389-D400 PolarHBondContact O-N 3.35Å; S389-N461 WeakPolarHBondContact CA-OD1 3.48Å; S389-N461 VanDerWaalsContact CB-OD1 3.31Å; S389-N461 WeakPolarHBondContact CB-OD1 3.48Å; S389-N461 PolarHBondContact OG-OD1 3.22Å; S389-N461 VanDerWaalsContact OG-OD1 3.11Å
390	C	86.9	Confident	85	Confident	42 Å²	42	71.6 Å²	71.6	28%	0.284	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117	176.2	-166.8	0	0	0	0	110	C502	C390-C502 HydrophobicContact CB-CB 4.01Å; C390-C502 WeakPolarHBondContact CB-SG 3.26Å; C390-C502 VanDerWaalsContact SG-CA 3.53Å; C390-C502 WeakPolarHBondContact SG-CB 3.36Å; C390-C502 CovalentContact SG-SG 2.05Å; C390-C502 PolarHBondContact SG-SG 3.3Å
391	V	82.8	Confident	84.8	Confident	74 Å²	74	77.5 Å²	77.5	45%	0.448	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.1	-179.6	-180	0	0	0	0	110.3	G397 R398 D400	V391-G397 CarbonylContact O-C 3.57Å; V391-G397 WeakPolarHBondContact O-CA 3.19Å; V391-R398 PolarHBondContact N-O 3.09Å; V391-R398 PolarHBondContact O-N 2.87Å; V391-D400 HydrophobicContact CG2-CB 4.02Å; V391-D400 VanDerWaalsContact CG2-OD2 3.26Å; V391-D400 WeakPolarHBondContact CG2-OD2 3.29Å
392	G	75.8	Confident	84.6	Confident	48 Å²	48	78.6 Å²	78.6	50%	0.495	41%	0.409	S	S	.	.	S	Bend	trans	97.5	-179.4	-178.4	0	0	0	0	0	114	R394	G392-R394 PolarHBondContact O-N 2.59Å
393	P	68.3	Low	84.5	Confident	97 Å²	97	79.5 Å²	79.5	63%	0.63	41%	0.406	S	S	*	.	S	Bend	trans	-63.2	129.9	-178.7	23.8	-30.8	0	0	0	110.5	L395 F396 G397	P393-L395 PolarHBondContact O-N 3.05Å; P393-F396 CarbonylContact O-C 3.39Å; P393-F396 PolarHBondContact O-N 3.38Å; P393-G397 PolarHBondContact O-N 3.01Å
394	R	62.1	Low	84.2	Confident	180 Å²	180	79.4 Å²	79.4	68%	0.679	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-29.3	-164.5	-65.3	-179.7	179.7	150.6	-0	116.7	G392	G392-R394 PolarHBondContact O-N 2.59Å
395	L	63.4	Low	83.9	Confident	158 Å²	158	85 Å²	85	83%	0.827	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-27.3	176.8	-96.2	128.4	0	0	0	113.9	P393	P393-L395 PolarHBondContact O-N 3.05Å
396	F	67.5	Low	83.7	Confident	175 Å²	175	85.4 Å²	85.4	77%	0.768	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	16.3	-177.8	-55.1	-71.8	0	0	0	111.7	P393	P393-F396 CarbonylContact O-C 3.39Å; P393-F396 PolarHBondContact O-N 3.38Å
397	G	70	Confident	83.6	Confident	22 Å²	22	85 Å²	85	23%	0.227	43%	0.425	C	S	.	.			trans	-67.6	139	-176	0	0	0	0	0	110.8	V391 P393	V391-G397 CarbonylContact O-C 3.57Å; V391-G397 WeakPolarHBondContact O-CA 3.19Å; P393-G397 PolarHBondContact O-N 3.01Å
398	R	83.2	Confident	83.6	Confident	200 Å²	200	84 Å²	84	76%	0.755	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	148	168.9	-66.5	-177.9	179.1	177.1	-0.5	108.8	V391	V391-R398 PolarHBondContact N-O 3.09Å; V391-R398 PolarHBondContact O-N 2.87Å
399	V	86.7	Confident	83.8	Confident	71 Å²	71	82.4 Å²	82.4	43%	0.43	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.5	174.1	-179.1	0	0	0	0	107.7	L388 S389 P501	L388-V399 HydrophobicContact CB-CG1 3.98Å; L388-V399 HydrophobicContact CD2-CG1 4.15Å; S389-V399 WeakPolarHBondContact O-CA 3.08Å; V399-P501 HydrophobicContact CB-CG 4.47Å; V399-P501 HydrophobicContact CG1-CG 3.94Å; V399-P501 HydrophobicContact CG2-CG 3.62Å
400	D	91	Very high	84.1	Confident	85 Å²	85	81.3 Å²	81.3	46%	0.455	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	152.7	168.3	-76.4	-8	0	0	0	109.4	L388 S389 V391	L388-D400 WeakPolarHBondContact CA-O 3.25Å; S389-D400 PolarHBondContact N-O 3.23Å; S389-D400 PolarHBondContact O-N 3.35Å; V391-D400 HydrophobicContact CG2-CB 4.02Å; V391-D400 VanDerWaalsContact CG2-OD2 3.26Å; V391-D400 WeakPolarHBondContact CG2-OD2 3.29Å
401	Y	92.2	Very high	84.6	Confident	165 Å²	165	79.3 Å²	79.3	65%	0.647	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.6	179.4	67.4	-86.2	0	0	0	112	K387 Y403	K387-Y401 CarbonylContact O-C 3.47Å; K387-Y401 WeakPolarHBondContact O-CA 3.49Å; Y401-Y403 HydrophobicContact CD2-CD1 4.26Å; Y401-Y403 HydrophobicContact CE2-CD1 4.37Å; Y401-Y403 HydrophobicContact CE2-CE1 4.16Å
402	A	93.8	Very high	85.3	Confident	31 Å²	31	75.8 Å²	75.8	26%	0.256	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155	172.9	0	0	0	0	0	109.7	Y367 V386 K387	Y367-A402 HydrophobicContact CE1-CB 4.04Å; V386-A402 CarbonylContact C-O 3.48Å; V386-A402 WeakPolarHBondContact CA-O 3.43Å; K387-A402 HydrophobicContact CB-CB 4.46Å; K387-A402 PolarHBondContact N-O 2.8Å; K387-A402 PolarHBondContact O-N 2.96Å
403	Y	93	Very high	86.3	Confident	108 Å²	108	73.9 Å²	73.9	42%	0.424	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.5	-179.7	58.5	-94	0	0	0	110.7	L276 L384 Y401	L276-Y403 HydrophobicContact CD2-CD2 4.36Å; L276-Y403 HydrophobicContact CD2-CE2 3.91Å; L384-Y403 HydrophobicContact CD1-CD2 4.28Å; L384-Y403 HydrophobicContact CD1-CG 4.5Å; L384-Y403 HydrophobicContact CD2-CD1 4.2Å; L384-Y403 HydrophobicContact CD2-CD2 3.76Å; L384-Y403 HydrophobicContact CD2-CE2 4.33Å; L384-Y403 HydrophobicContact CD2-CG 3.7Å; L384-Y403 HydrophobicContact CG-CD2 4.49Å; L384-Y403 HydrophobicContact CG-CG 4.35Å; Y401-Y403 HydrophobicContact CD2-CD1 4.26Å; Y401-Y403 HydrophobicContact CE2-CD1 4.37Å; Y401-Y403 HydrophobicContact CE2-CE1 4.16Å
404	E	87.8	Confident	87.7	Confident	49 Å²	49	69.8 Å²	69.8	23%	0.229	32%	0.32	C	S	.	.			trans	-88.1	144.3	176.6	-167.7	168.4	-179.9	0	0	110.8	R342 Y367 A406	R342-E404 IonicContact CZ-OE1 3.8Å; R342-E404 IonicContact CZ-OE2 2.74Å; R342-E404 IonicContact NE-OE1 2.89Å; R342-E404 IonicContact NH1-OE1 3.64Å; R342-E404 IonicContact NH1-OE2 2.72Å; R342-E404 PolarHBondContact NH1-OE2 3.23Å; Y367-E404 HydrophobicContact CD2-CB 3.92Å; Y367-E404 HydrophobicContact CG-CB 4.1Å; E404-A406 PolarHBondContact O-N 3.15Å; E404-A406 VanDerWaalsContact O-N 3.08Å
405	K	89.1	Confident	89.3	Confident	166 Å²	166	64.5 Å²	64.5	72%	0.722	30%	0.302	S	S	*	.	S	Bend	trans	-73.2	7.2	179.4	-72.5	-172	178	-179.8	0	114.4	L276 N277	L276-K405 WeakPolarHBondContact CA-O 3.44Å; L276-K405 HydrophobicContact CD2-CB 4.28Å; L276-K405 HydrophobicContact CD2-CG 4.36Å; N277-K405 PolarHBondContact N-O 3.2Å
406	A	90.7	Very high	91	Very high	15 Å²	15	58.8 Å²	58.8	12%	0.124	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.7	175.9	0	0	0	0	0	109.2	N277 L279 E404	N277-A406 HydrophobicContact CB-CB 4.02Å; N277-A406 WeakPolarHBondContact O-CA 3.46Å; L279-A406 HydrophobicContact CD1-CB 3.97Å; L279-A406 HydrophobicContact CD2-CB 4.17Å; L279-A406 HydrophobicContact CG-CB 4.08Å; E404-A406 PolarHBondContact O-N 3.15Å; E404-A406 VanDerWaalsContact O-N 3.08Å
407	F	92.9	Very high	92.3	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.096	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	167.5	178.1	85.7	-74.8	0	0	0	111.5	I274 L276 N277 K278 L279 L384	I274-F407 HydrophobicContact CD1-CE1 3.56Å; I274-F407 HydrophobicContact CD1-CZ 3.95Å; I274-F407 HydrophobicContact CG1-CE1 4.24Å; L276-F407 HydrophobicContact CB-CD1 3.94Å; L276-F407 HydrophobicContact CB-CE1 3.99Å; L276-F407 HydrophobicContact CD1-CD1 3.55Å; L276-F407 HydrophobicContact CD1-CE1 3.48Å; L276-F407 VanDerWaalsContact CD1-CE1 3.48Å; L276-F407 HydrophobicContact CG-CD1 4.37Å; L276-F407 HydrophobicContact CG-CE1 4.35Å; N277-F407 PolarHBondContact O-N 3.4Å; K278-F407 WeakPolarHBondContact CA-O 3.5Å; L279-F407 PolarHBondContact N-O 2.95Å; L384-F407 HydrophobicContact CB-CD2 4.38Å; L384-F407 HydrophobicContact CB-CG 4.5Å; L384-F407 HydrophobicContact CD1-CB 3.71Å; L384-F407 HydrophobicContact CD1-CD1 4.06Å; L384-F407 HydrophobicContact CD1-CG 3.84Å
408	G	95.2	Very high	93.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	124.8	-15.2	172.4	0	0	0	0	0	113.1	L279 E380 Q381	L279-G408 CarbonylContact O-C 3.52Å; L279-G408 VanDerWaalsContact O-C 3.28Å; L279-G408 WeakPolarHBondContact O-CA 3.1Å; E380-G408 CarbonylContact C-O 3.55Å; E380-G408 WeakPolarHBondContact CA-O 3.32Å; Q381-G408 PolarHBondContact N-O 3.1Å; Q381-G408 VanDerWaalsContact OE1-N 3.08Å
409	A	97.1	Very high	94.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	154.3	172	0	0	0	0	0	110.1	L279 R280 V288 F379	L279-A409 HydrophobicContact CB-CB 4.11Å; R280-A409 VanDerWaalsContact C-CB 3.47Å; V288-A409 HydrophobicContact CG1-CB 4.12Å; F379-A409 CarbonylContact O-C 3.49Å; F379-A409 VanDerWaalsContact O-CA 3.25Å; F379-A409 WeakPolarHBondContact O-CA 3.26Å
410	G	96.4	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.3	177.1	0	0	0	0	0	112.2	E370 C378 F379 Y412	E370-G410 VanDerWaalsContact OE1-CA 3.28Å; E370-G410 WeakPolarHBondContact OE1-CA 3.45Å; C378-G410 WeakPolarHBondContact CA-O 3.22Å; F379-G410 PolarHBondContact N-O 3.02Å; F379-G410 PolarHBondContact O-N 3.13Å; G410-Y412 VanDerWaalsContact C-CE2 3.48Å; G410-Y412 VanDerWaalsContact O-CD2 3.22Å; G410-Y412 WeakPolarHBondContact O-CD2 2.85Å; G410-Y412 WeakPolarHBondContact O-CE2 3.36Å
411	C	97.5	Very high	95	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128	177.4	-64.8	0	0	0	0	111.8	C354 E370 L371 F372 R377	C354-C411 WeakPolarHBondContact CA-SG 3.42Å; C354-C411 HydrophobicContact CB-CB 3.63Å; C354-C411 WeakPolarHBondContact CB-SG 3.14Å; C354-C411 WeakPolarHBondContact SG-CB 3.5Å; C354-C411 CovalentContact SG-SG 2.04Å; C354-C411 PolarHBondContact SG-SG 2.78Å; E370-C411 CarbonylContact C-O 3.55Å; E370-C411 WeakPolarHBondContact CA-O 3.39Å; E370-C411 VanDerWaalsContact CB-O 3.31Å; E370-C411 WeakPolarHBondContact CB-O 3.41Å; E370-C411 PolarHBondContact OE1-N 2.9Å; L371-C411 PolarHBondContact N-O 3.03Å; L371-C411 CarbonylContact O-C 3.52Å; F372-C411 HydrophobicContact CD1-CB 4.05Å; F372-C411 HydrophobicContact CE1-CB 3.74Å; F372-C411 WeakPolarHBondContact CE1-SG 3.39Å; F372-C411 HydrophobicContact CE2-CB 4.41Å; F372-C411 HydrophobicContact CZ-CB 3.93Å; R377-C411 WeakPolarHBondContact O-CA 3.05Å
412	Y	97.5	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.3	179.3	-53	-84.1	0	0	0	110.5	G368 S376 R377 F379 Q381 G410 A425 I467	G368-Y412 VanDerWaalsContact O-CE1 3.27Å; G368-Y412 WeakPolarHBondContact O-CE1 3.18Å; G368-Y412 PolarHBondContact O-OH 3.41Å; S376-Y412 CarbonylContact C-O 3.56Å; S376-Y412 WeakPolarHBondContact CA-O 3.03Å; R377-Y412 PolarHBondContact N-O 2.89Å; R377-Y412 PolarHBondContact O-N 2.8Å; F379-Y412 HydrophobicContact CB-CD2 3.65Å; F379-Y412 HydrophobicContact CB-CE2 3.92Å; F379-Y412 AromaticContact CD2-CD2 3.78Å; F379-Y412 HydrophobicContact CD2-CD2 3.78Å; F379-Y412 HydrophobicContact CD2-CG 4.37Å; F379-Y412 AromaticContact CG-CD2 3.98Å; F379-Y412 HydrophobicContact CG-CD2 3.98Å; Q381-Y412 WeakPolarHBondContact CG-OH 3.43Å; Q381-Y412 PolarHBondContact NE2-OH 3.26Å; G410-Y412 VanDerWaalsContact C-CE2 3.48Å; G410-Y412 VanDerWaalsContact O-CD2 3.22Å; G410-Y412 WeakPolarHBondContact O-CD2 2.85Å; G410-Y412 WeakPolarHBondContact O-CE2 3.36Å; Y412-A425 HydrophobicContact CD1-CB 3.79Å; Y412-A425 HydrophobicContact CE1-CB 4.08Å; Y412-I467 HydrophobicContact CD1-CD1 3.65Å; Y412-I467 HydrophobicContact CD2-CD1 4.04Å; Y412-I467 HydrophobicContact CE1-CD1 3.3Å; Y412-I467 HydrophobicContact CE1-CG1 4.19Å; Y412-I467 HydrophobicContact CE2-CD1 3.72Å; Y412-I467 HydrophobicContact CE2-CG1 4.07Å; Y412-I467 HydrophobicContact CE2-CG2 4.28Å; Y412-I467 HydrophobicContact CG-CD1 3.98Å
413	D	97.1	Very high	95.4	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140	175.5	-179.9	44.6	0	0	0	110	L371 S375 L423 R424 F437	L371-D413 HydrophobicContact CB-CB 4.23Å; L371-D413 HydrophobicContact CD1-CB 4.03Å; S375-D413 VanDerWaalsContact CB-OD1 3.23Å; S375-D413 WeakPolarHBondContact CB-OD1 3.27Å; S375-D413 PolarHBondContact OG-OD1 3.29Å; D413-L423 CarbonylContact O-C 3.57Å; D413-L423 WeakPolarHBondContact O-CA 3.44Å; D413-R424 HydrophobicContact CB-CB 4.25Å; D413-R424 PolarHBondContact N-O 3.42Å; D413-R424 VanDerWaalsContact N-O 3.11Å; D413-R424 PolarHBondContact O-N 3.13Å; D413-R424 IonicContact OD2-CZ 2.96Å; D413-R424 IonicContact OD2-NE 3.21Å; D413-R424 PolarHBondContact OD2-NE 3.26Å; D413-R424 IonicContact OD2-NH2 3.62Å; D413-R424 PolarHBondContact OD2-NH2 3.15Å; D413-F437 WeakPolarHBondContact OD2-CZ 2.83Å
414	H	97.2	Very high	95.5	Very high	10 Å²	10	39 Å²	39	5%	0.046	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.8	179.1	79.6	-85.1	0	0	0	112.3	S375 R377 F379 L421 F422 E479	S375-H414 PolarHBondContact O-CE1 3.42Å; S375-H414 PolarHBondContact O-N 3.14Å; S375-H414 PolarHBondContact O-ND1 3.45Å; R377-H414 WeakPolarHBondContact CG-CE1 3.44Å; R377-H414 WeakPolarHBondContact CG-ND1 3.4Å; F379-H414 HydrophobicContact CE2-CB 4.35Å; F379-H414 HydrophobicContact CZ-CB 4.04Å; H414-L421 HydrophobicContact CB-CD1 4.01Å; H414-F422 CarbonylContact C-O 3.5Å; H414-F422 WeakPolarHBondContact CA-O 3.41Å; H414-F422 WeakPolarHBondContact CB-O 3.42Å; H414-E479 IonicContact CD2-OE2 3.17Å; H414-E479 IonicContact CE1-OE1 2.61Å; H414-E479 PolarHBondContact CE1-OE1 3.41Å; H414-E479 IonicContact CE1-OE2 2.79Å; H414-E479 VanDerWaalsContact NE2-CD 3.28Å; H414-E479 IonicContact NE2-OE1 3.54Å; H414-E479 PolarHBondContact NE2-OE1 3.09Å; H414-E479 VanDerWaalsContact NE2-OE1 3.1Å; H414-E479 IonicContact NE2-OE2 3.16Å; H414-E479 PolarHBondContact NE2-OE2 2.73Å
415	K	97	Very high	95.9	Very high	69 Å²	69	36.7 Å²	36.7	30%	0.3	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152	165.9	66.8	174.5	-177.6	158.3	0	110.7	E417 F422 F437	K415-E417 IonicContact NZ-OE2 2.9Å; K415-E417 PolarHBondContact NZ-OE2 3.46Å; K415-F422 HydrophobicContact CG-CB 3.75Å; K415-F422 HydrophobicContact CG-CD2 4.37Å; K415-F422 HydrophobicContact CG-CG 4.3Å; K415-F422 PolarHBondContact N-O 3.21Å; K415-F422 PolarHBondContact O-N 3.35Å; K415-F437 HydrophobicContact CB-CE1 4.17Å; K415-F437 HydrophobicContact CB-CZ 4.48Å; K415-F437 HydrophobicContact CD-CD1 4.1Å; K415-F437 HydrophobicContact CD-CD2 4.24Å; K415-F437 HydrophobicContact CD-CE1 3.97Å; K415-F437 HydrophobicContact CD-CE2 4.11Å; K415-F437 HydrophobicContact CD-CG 4.24Å; K415-F437 HydrophobicContact CD-CZ 3.98Å; K415-F437 HydrophobicContact CG-CD1 3.82Å; K415-F437 HydrophobicContact CG-CE1 3.64Å; K415-F437 HydrophobicContact CG-CG 4.43Å; K415-F437 HydrophobicContact CG-CZ 4.09Å
416	C	97.3	Very high	96.1	Very high	39 Å²	39	29.2 Å²	29.2	26%	0.264	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.7	175.2	-60.7	0	0	0	0	108	R420 C476 F483	C416-R420 WeakPolarHBondContact CA-O 3.44Å; C416-C476 HydrophobicContact CB-CB 3.64Å; C416-C476 WeakPolarHBondContact CB-SG 3.39Å; C416-C476 WeakPolarHBondContact SG-CA 3.31Å; C416-C476 WeakPolarHBondContact SG-CB 3.4Å; C416-C476 CovalentContact SG-SG 2.03Å; C416-C476 PolarHBondContact SG-SG 3.06Å; C416-F483 HydrophobicContact CB-CD1 4.43Å; C416-F483 HydrophobicContact CB-CD2 4Å; C416-F483 HydrophobicContact CB-CE1 4.1Å; C416-F483 HydrophobicContact CB-CE2 3.65Å; C416-F483 HydrophobicContact CB-CG 4.36Å; C416-F483 HydrophobicContact CB-CZ 3.68Å
417	E	96	Very high	96	Very high	66 Å²	66	28.9 Å²	28.9	31%	0.308	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	142.8	-177.2	-153.5	-162.8	137.7	0	0	109.5	K415 G419 R420 F422	K415-E417 IonicContact NZ-OE2 2.9Å; K415-E417 PolarHBondContact NZ-OE2 3.46Å; E417-G419 PolarHBondContact O-N 2.6Å; E417-G419 VanDerWaalsContact O-N 3.09Å; E417-R420 PolarHBondContact N-O 3.46Å; E417-R420 PolarHBondContact O-N 2.82Å; E417-R420 VanDerWaalsContact O-O 3.13Å; E417-F422 HydrophobicContact CB-CD2 4.29Å; E417-F422 HydrophobicContact CB-CE2 3.96Å; E417-F422 WeakPolarHBondContact O-CE2 3.07Å
418	R	95.1	Very high	95.5	Very high	208 Å²	208	30.4 Å²	30.4	79%	0.785	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.8	173.7	-55.8	170.6	-163.7	-154.2	-3.6	113.4	R420	R418-R420 PolarHBondContact O-N 2.88Å
419	G	96.6	Very high	94.1	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	17.5	-178.4	0	0	0	0	0	115	E417 F483 K484 C485 A486	E417-G419 PolarHBondContact O-N 2.6Å; E417-G419 VanDerWaalsContact O-N 3.09Å; G419-F483 VanDerWaalsContact CA-CZ 3.47Å; G419-K484 VanDerWaalsContact CA-O 3.24Å; G419-K484 WeakPolarHBondContact CA-O 3.44Å; G419-C485 WeakPolarHBondContact O-CA 3.32Å; G419-A486 PolarHBondContact O-N 2.91Å
420	R	97.1	Very high	92.3	Very high	44 Å²	44	38.4 Å²	38.4	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.4	179.9	-62.7	-70.3	-175.8	-171.9	-9.6	111.3	C416 E417 R418 F422 V439 W441 P487	C416-R420 WeakPolarHBondContact CA-O 3.44Å; E417-R420 PolarHBondContact N-O 3.46Å; E417-R420 PolarHBondContact O-N 2.82Å; E417-R420 VanDerWaalsContact O-O 3.13Å; R418-R420 PolarHBondContact O-N 2.88Å; R420-F422 HydrophobicContact CB-CD2 4.34Å; R420-F422 HydrophobicContact CB-CE2 3.77Å; R420-F422 HydrophobicContact CB-CZ 4.37Å; R420-F422 WeakPolarHBondContact O-CD2 3.33Å; R420-V439 HydrophobicContact CB-CG1 4.25Å; R420-V439 HydrophobicContact CG-CG1 4.38Å; R420-W441 PolarHBondContact NH1-O 2.94Å; R420-P487 VanDerWaalsContact CZ-O 3.31Å; R420-P487 PolarHBondContact NH1-O 3.43Å; R420-P487 PolarHBondContact NH2-O 2.82Å
421	L	97.9	Very high	90.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.3	165.9	173.7	65	0	0	0	109.1	F379 H414 C440 P470 C472 I475	F379-L421 HydrophobicContact CE1-CD2 4.12Å; F379-L421 HydrophobicContact CZ-CD2 4.46Å; H414-L421 HydrophobicContact CB-CD1 4.01Å; L421-C440 HydrophobicContact CB-CB 4.06Å; L421-C440 HydrophobicContact CD2-CB 4.04Å; L421-C440 HydrophobicContact CG-CB 4.07Å; L421-C440 WeakPolarHBondContact O-CB 3.49Å; L421-C440 PolarHBondContact O-N 2.9Å; L421-P470 HydrophobicContact CD2-CG 3.72Å; L421-C472 HydrophobicContact CB-CB 4.3Å; L421-I475 HydrophobicContact CD1-CB 4.35Å; L421-I475 HydrophobicContact CD1-CD1 4.35Å; L421-I475 HydrophobicContact CD1-CG2 4.16Å; L421-I475 HydrophobicContact CD2-CD1 3.99Å
422	F	97.7	Very high	88.6	Confident	32 Å²	32	44.2 Å²	44.2	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.4	171	-64.3	-107.8	0	0	0	109.5	H414 K415 E417 R420 F437 K438 V439	H414-F422 CarbonylContact C-O 3.5Å; H414-F422 WeakPolarHBondContact CA-O 3.41Å; H414-F422 WeakPolarHBondContact CB-O 3.42Å; K415-F422 HydrophobicContact CG-CB 3.75Å; K415-F422 HydrophobicContact CG-CD2 4.37Å; K415-F422 HydrophobicContact CG-CG 4.3Å; K415-F422 PolarHBondContact N-O 3.21Å; K415-F422 PolarHBondContact O-N 3.35Å; E417-F422 HydrophobicContact CB-CD2 4.29Å; E417-F422 HydrophobicContact CB-CE2 3.96Å; E417-F422 WeakPolarHBondContact O-CE2 3.07Å; R420-F422 HydrophobicContact CB-CD2 4.34Å; R420-F422 HydrophobicContact CB-CE2 3.77Å; R420-F422 HydrophobicContact CB-CZ 4.37Å; R420-F422 WeakPolarHBondContact O-CD2 3.33Å; F422-F437 HydrophobicContact CB-CB 4.12Å; F422-F437 HydrophobicContact CB-CD1 3.74Å; F422-F437 HydrophobicContact CB-CG 4.3Å; F422-F437 HydrophobicContact CD1-CB 4.17Å; F422-K438 CarbonylContact C-O 3.11Å; F422-K438 WeakPolarHBondContact CA-O 3.02Å; F422-V439 HydrophobicContact CD1-CB 4.47Å; F422-V439 HydrophobicContact CD1-CG2 3.75Å; F422-V439 HydrophobicContact CE1-CB 4.39Å; F422-V439 HydrophobicContact CE1-CG2 3.31Å; F422-V439 HydrophobicContact CZ-CG2 3.92Å
423	L	96.8	Very high	86.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.9	172.2	75.5	81.4	0	0	0	111.3	F379 D413 F437 K438 V447 I467	F379-L423 HydrophobicContact CD1-CD2 3.9Å; F379-L423 HydrophobicContact CE1-CB 4.03Å; F379-L423 HydrophobicContact CE1-CD2 3.95Å; F379-L423 HydrophobicContact CZ-CB 4.05Å; D413-L423 CarbonylContact O-C 3.57Å; D413-L423 WeakPolarHBondContact O-CA 3.44Å; L423-F437 CarbonylContact O-C 3.57Å; L423-F437 VanDerWaalsContact O-CA 3.31Å; L423-F437 WeakPolarHBondContact O-CA 3.33Å; L423-K438 PolarHBondContact N-O 3.17Å; L423-K438 PolarHBondContact O-N 3.44Å; L423-V447 HydrophobicContact CD1-CG1 4.05Å; L423-V447 HydrophobicContact CD2-CB 4.18Å; L423-V447 HydrophobicContact CD2-CG2 3.73Å; L423-V447 HydrophobicContact CG-CG1 4.49Å; L423-V447 HydrophobicContact CG-CG2 4.22Å; L423-I467 HydrophobicContact CD1-CD1 3.87Å; L423-I467 HydrophobicContact CD2-CB 4.35Å; L423-I467 HydrophobicContact CD2-CD1 4.43Å; L423-I467 HydrophobicContact CD2-CG2 3.87Å
424	R	95.8	Very high	85.5	Confident	79 Å²	79	44.4 Å²	44.4	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.3	174.9	175	173.2	67.2	163	3.5	108.9	L371 D413 Q435 F437	L371-R424 HydrophobicContact CD1-CG 3.92Å; D413-R424 HydrophobicContact CB-CB 4.25Å; D413-R424 PolarHBondContact N-O 3.42Å; D413-R424 VanDerWaalsContact N-O 3.11Å; D413-R424 PolarHBondContact O-N 3.13Å; D413-R424 IonicContact OD2-CZ 2.96Å; D413-R424 IonicContact OD2-NE 3.21Å; D413-R424 PolarHBondContact OD2-NE 3.26Å; D413-R424 IonicContact OD2-NH2 3.62Å; D413-R424 PolarHBondContact OD2-NH2 3.15Å; R424-Q435 WeakPolarHBondContact CD-O 3.48Å; R424-Q435 WeakPolarHBondContact CG-O 3.19Å; R424-F437 HydrophobicContact CB-CD1 3.61Å; R424-F437 HydrophobicContact CB-CD2 4.3Å; R424-F437 HydrophobicContact CB-CE1 3.52Å; R424-F437 HydrophobicContact CB-CE2 4.23Å; R424-F437 HydrophobicContact CB-CG 4.01Å; R424-F437 HydrophobicContact CB-CZ 3.86Å
425	A	95.5	Very high	84.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	27%	0.265	C	S	.	.			trans	-105.3	163.4	172.4	0	0	0	0	0	110.6	L369 Y412 L449	L369-A425 HydrophobicContact CB-CB 4.05Å; L369-A425 WeakPolarHBondContact O-CB 3.37Å; Y412-A425 HydrophobicContact CD1-CB 3.79Å; Y412-A425 HydrophobicContact CE1-CB 4.08Å; A425-L449 HydrophobicContact CB-CD1 3.39Å
426	S	93.7	Very high	84.2	Confident	9 Å²	9	46 Å²	46	6%	0.063	27%	0.267	C	S	.	.			trans	-61.8	155.4	177.2	178.9	0	0	0	0	112	L369 Q453	L369-S426 WeakPolarHBondContact O-CB 3.4Å; L369-S426 PolarHBondContact O-N 3.4Å; S426-Q453 VanDerWaalsContact OG-CD 3.26Å; S426-Q453 PolarHBondContact OG-NE2 3.47Å; S426-Q453 VanDerWaalsContact OG-NE2 3.16Å; S426-Q453 PolarHBondContact OG-OE1 2.9Å
427	G	88.8	Confident	84	Confident	7 Å²	7	47 Å²	47	7%	0.072	27%	0.267	C	S	.	.			trans	162.1	-176.1	172.9	0	0	0	0	0	110	G434 Q435 Y452	G427-G434 CarbonylContact C-O 3.47Å; G427-G434 WeakPolarHBondContact CA-O 3.28Å; G427-G434 PolarHBondContact N-O 3.23Å; G427-Q435 VanDerWaalsContact O-CG 3.24Å; G427-Q435 WeakPolarHBondContact O-CG 3.39Å; G427-Q435 PolarHBondContact O-NE2 3.43Å; G427-Y452 WeakPolarHBondContact CA-O 3.38Å
428	I	81.5	Confident	84	Confident	54 Å²	54	45.4 Å²	45.4	28%	0.277	26%	0.259	S	S	.	.			trans	-86.3	122.1	-170.4	-68.6	158.5	0	0	0	112.3	G430 A431 G434 Y452 M460	I428-G430 PolarHBondContact O-N 2.87Å; I428-A431 WeakPolarHBondContact O-CB 3.3Å; I428-A431 PolarHBondContact O-N 3.17Å; I428-G434 PolarHBondContact N-O 3.07Å; I428-G434 WeakPolarHBondContact O-CA 3.26Å; I428-Y452 WeakPolarHBondContact CD1-O 3.28Å; I428-Y452 WeakPolarHBondContact CG1-O 3.22Å; I428-Y452 PolarHBondContact N-O 3.46Å; I428-Y452 VanDerWaalsContact N-O 3.15Å; I428-M460 HydrophobicContact CD1-CE 3.24Å; I428-M460 HydrophobicContact CD1-SD 3.08Å; I428-M460 WeakPolarHBondContact CD1-SD 3.45Å
429	S	66.2	Low	84.1	Confident	82 Å²	82	36.9 Å²	36.9	57%	0.573	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	135.4	170.3	-45.9	0	0	0	0	110.9	A431 Q435	S429-A431 VanDerWaalsContact C-N 3.32Å; S429-A431 PolarHBondContact O-N 3.03Å; S429-Q435 VanDerWaalsContact OG-CD 3.24Å; S429-Q435 PolarHBondContact OG-NE2 3.4Å; S429-Q435 PolarHBondContact OG-OE1 2.8Å
430	G	60.5	Low	84.2	Confident	86 Å²	86	36.6 Å²	36.6	89%	0.887	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-13.8	-179.5	0	0	0	0	0	115.3	I428 S432	I428-G430 PolarHBondContact O-N 2.87Å; G430-S432 PolarHBondContact O-N 3.37Å
431	A	61.5	Low	84.2	Confident	24 Å²	24	38 Å²	38	20%	0.198	23%	0.231	C	C	.	.	S	Bend	trans	-70.1	131.2	159.4	0	0	0	0	0	108	I428 S429 S433 G434 K505	I428-A431 WeakPolarHBondContact O-CB 3.3Å; I428-A431 PolarHBondContact O-N 3.17Å; S429-A431 VanDerWaalsContact C-N 3.32Å; S429-A431 PolarHBondContact O-N 3.03Å; A431-S433 CarbonylContact O-C 3.52Å; A431-S433 PolarHBondContact O-N 3.41Å; A431-G434 PolarHBondContact O-N 2.89Å; A431-K505 VanDerWaalsContact CA-NZ 3.28Å
432	S	54.2	Low	84.1	Confident	98 Å²	98	38.1 Å²	38.1	69%	0.685	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-39.8	-6.3	175.8	48.6	0	0	0	0	118.4	G430 K505	G430-S432 PolarHBondContact O-N 3.37Å; S432-K505 VanDerWaalsContact OG-CE 3.31Å; S432-K505 WeakPolarHBondContact OG-CE 3.39Å; S432-K505 PolarHBondContact OG-NZ 2.83Å
433	S	62	Low	84.1	Confident	12 Å²	12	43.3 Å²	43.3	8%	0.084	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	-11.2	170	63.5	0	0	0	0	113.3	A431 Q435 A436 R451	A431-S433 CarbonylContact O-C 3.52Å; A431-S433 PolarHBondContact O-N 3.41Å; S433-Q435 PolarHBondContact O-N 3.23Å; S433-A436 WeakPolarHBondContact O-CB 3.36Å; S433-A436 PolarHBondContact O-N 2.73Å; S433-R451 PolarHBondContact O-NE 3.24Å; S433-R451 PolarHBondContact O-NH1 3.42Å; S433-R451 PolarHBondContact O-NH2 2.04Å; S433-R451 VanDerWaalsContact O-NH2 3.14Å; S433-R451 PolarHBondContact OG-NH1 2.87Å
434	G	66.8	Low	84.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.8	-151.3	0	0	0	0	0	117.9	G427 I428 A431 R451	G427-G434 CarbonylContact C-O 3.47Å; G427-G434 WeakPolarHBondContact CA-O 3.28Å; G427-G434 PolarHBondContact N-O 3.23Å; I428-G434 PolarHBondContact N-O 3.07Å; I428-G434 WeakPolarHBondContact O-CA 3.26Å; A431-G434 PolarHBondContact O-N 2.89Å; G434-R451 WeakPolarHBondContact O-CD 3.49Å
435	Q	78.2	Confident	84.2	Confident	70 Å²	70	42.3 Å²	42.3	33%	0.327	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.9	26.8	170.7	-63.6	-177.8	-22.3	0	0	111.7	R424 G427 S429 S433	R424-Q435 WeakPolarHBondContact CD-O 3.48Å; R424-Q435 WeakPolarHBondContact CG-O 3.19Å; G427-Q435 VanDerWaalsContact O-CG 3.24Å; G427-Q435 WeakPolarHBondContact O-CG 3.39Å; G427-Q435 PolarHBondContact O-NE2 3.43Å; S429-Q435 VanDerWaalsContact OG-CD 3.24Å; S429-Q435 PolarHBondContact OG-NE2 3.4Å; S429-Q435 PolarHBondContact OG-OE1 2.8Å; S433-Q435 PolarHBondContact O-N 3.23Å
436	A	88.8	Confident	84.3	Confident	42 Å²	42	43.4 Å²	43.4	35%	0.347	28%	0.275	S	S	.	.			trans	-72	135.7	-178.5	0	0	0	0	0	110.8	S433 R451	S433-A436 WeakPolarHBondContact O-CB 3.36Å; S433-A436 PolarHBondContact O-N 2.73Å; A436-R451 PolarHBondContact O-NH2 3.32Å
437	F	94.3	Very high	84.5	Confident	62 Å²	62	43 Å²	43	27%	0.272	27%	0.272	S	S	.	.			trans	-63.6	142.8	168.4	-80.3	-85.8	0	0	0	110.7	D413 K415 F422 L423 R424	D413-F437 WeakPolarHBondContact OD2-CZ 2.83Å; K415-F437 HydrophobicContact CB-CE1 4.17Å; K415-F437 HydrophobicContact CB-CZ 4.48Å; K415-F437 HydrophobicContact CD-CD1 4.1Å; K415-F437 HydrophobicContact CD-CD2 4.24Å; K415-F437 HydrophobicContact CD-CE1 3.97Å; K415-F437 HydrophobicContact CD-CE2 4.11Å; K415-F437 HydrophobicContact CD-CG 4.24Å; K415-F437 HydrophobicContact CD-CZ 3.98Å; K415-F437 HydrophobicContact CG-CD1 3.82Å; K415-F437 HydrophobicContact CG-CE1 3.64Å; K415-F437 HydrophobicContact CG-CG 4.43Å; K415-F437 HydrophobicContact CG-CZ 4.09Å; F422-F437 HydrophobicContact CB-CB 4.12Å; F422-F437 HydrophobicContact CB-CD1 3.74Å; F422-F437 HydrophobicContact CB-CG 4.3Å; F422-F437 HydrophobicContact CD1-CB 4.17Å; L423-F437 CarbonylContact O-C 3.57Å; L423-F437 VanDerWaalsContact O-CA 3.31Å; L423-F437 WeakPolarHBondContact O-CA 3.33Å; R424-F437 HydrophobicContact CB-CD1 3.61Å; R424-F437 HydrophobicContact CB-CD2 4.3Å; R424-F437 HydrophobicContact CB-CE1 3.52Å; R424-F437 HydrophobicContact CB-CE2 4.23Å; R424-F437 HydrophobicContact CB-CG 4.01Å; R424-F437 HydrophobicContact CB-CZ 3.86Å
438	K	95.6	Very high	84.8	Confident	32 Å²	32	43.9 Å²	43.9	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.2	174.3	-63.5	-65.3	179.5	171.7	0	109.1	F422 L423 V447 L449 A494 T495 D496	F422-K438 CarbonylContact C-O 3.11Å; F422-K438 WeakPolarHBondContact CA-O 3.02Å; L423-K438 PolarHBondContact N-O 3.17Å; L423-K438 PolarHBondContact O-N 3.44Å; K438-V447 HydrophobicContact CB-CG1 3.55Å; K438-V447 HydrophobicContact CB-CG2 4.36Å; K438-V447 HydrophobicContact CG-CG1 3.72Å; K438-L449 HydrophobicContact CG-CD2 4.47Å; K438-A494 HydrophobicContact CB-CB 4.13Å; K438-A494 HydrophobicContact CD-CB 4.44Å; K438-T495 PolarHBondContact NZ-O 3.21Å; K438-D496 WeakPolarHBondContact CE-OD1 3.44Å; K438-D496 IonicContact NZ-OD1 2.81Å; K438-D496 PolarHBondContact NZ-OD1 3.19Å
439	V	96.8	Very high	85.5	Confident	28 Å²	28	41.4 Å²	41.4	17%	0.17	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.2	-179.5	-176.4	0	0	0	0	109.4	R420 F422 W441 A494	R420-V439 HydrophobicContact CB-CG1 4.25Å; R420-V439 HydrophobicContact CG-CG1 4.38Å; F422-V439 HydrophobicContact CD1-CB 4.47Å; F422-V439 HydrophobicContact CD1-CG2 3.75Å; F422-V439 HydrophobicContact CE1-CB 4.39Å; F422-V439 HydrophobicContact CE1-CG2 3.31Å; F422-V439 HydrophobicContact CZ-CG2 3.92Å; V439-W441 HydrophobicContact CB-CD2 4.44Å; V439-W441 HydrophobicContact CB-CZ2 4.24Å; V439-W441 HydrophobicContact CG1-CD2 3.85Å; V439-W441 HydrophobicContact CG1-CE3 4.22Å; V439-W441 HydrophobicContact CG1-CG 4.22Å; V439-W441 HydrophobicContact CG1-CZ2 4.15Å; V439-W441 HydrophobicContact CG2-CZ2 4.39Å; V439-A494 WeakPolarHBondContact O-CB 3.4Å
440	C	97.8	Very high	86.8	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.8	161	-77.3	0	0	0	0	109.3	L421 C469	L421-C440 HydrophobicContact CB-CB 4.06Å; L421-C440 HydrophobicContact CD2-CB 4.04Å; L421-C440 HydrophobicContact CG-CB 4.07Å; L421-C440 WeakPolarHBondContact O-CB 3.49Å; L421-C440 PolarHBondContact O-N 2.9Å; C440-C469 WeakPolarHBondContact CA-SG 3.25Å; C440-C469 HydrophobicContact CB-CB 3.47Å; C440-C469 VanDerWaalsContact CB-CB 3.47Å; C440-C469 WeakPolarHBondContact CB-SG 2.97Å; C440-C469 WeakPolarHBondContact SG-CB 3.16Å; C440-C469 CovalentContact SG-SG 2.04Å; C440-C469 PolarHBondContact SG-SG 3.17Å
441	W	97.3	Very high	88.2	Confident	73 Å²	73	34.4 Å²	34.4	28%	0.277	20%	0.198	S	C	.	.			trans	-83.9	-36.8	-172.1	-71.3	103.7	0	0	0	113.1	R420 V439 S445 E488 V489 I492	R420-W441 PolarHBondContact NH1-O 2.94Å; V439-W441 HydrophobicContact CB-CD2 4.44Å; V439-W441 HydrophobicContact CB-CZ2 4.24Å; V439-W441 HydrophobicContact CG1-CD2 3.85Å; V439-W441 HydrophobicContact CG1-CE3 4.22Å; V439-W441 HydrophobicContact CG1-CG 4.22Å; V439-W441 HydrophobicContact CG1-CZ2 4.15Å; V439-W441 HydrophobicContact CG2-CZ2 4.39Å; W441-S445 PolarHBondContact N-OG 3.3Å; W441-E488 WeakPolarHBondContact O-CA 3.34Å; W441-V489 WeakPolarHBondContact CB-O 3.34Å; W441-V489 HydrophobicContact CE3-CB 4.2Å; W441-V489 HydrophobicContact CE3-CG2 4.4Å; W441-V489 PolarHBondContact O-N 3.24Å; W441-I492 HydrophobicContact CB-CB 4.07Å; W441-I492 HydrophobicContact CD2-CB 4.24Å; W441-I492 HydrophobicContact CD2-CD1 4.09Å; W441-I492 HydrophobicContact CD2-CG2 4.07Å; W441-I492 HydrophobicContact CE3-CD1 4.17Å; W441-I492 HydrophobicContact CG-CB 3.75Å; W441-I492 HydrophobicContact CG-CD1 4.43Å; W441-I492 HydrophobicContact CG-CG2 3.8Å; W441-I492 VanDerWaalsContact NE1-CG2 3.34Å
442	A	97.4	Very high	89.6	Confident	4 Å²	4	35.1 Å²	35.1	3%	0.033	20%	0.196	C	C	.	.	S	Bend	trans	-153.4	163.9	177.6	0	0	0	0	0	110.3	G444 S445 E488 E490	A442-G444 PolarHBondContact O-N 3.27Å; A442-S445 PolarHBondContact N-OG 2.84Å; A442-S445 VanDerWaalsContact N-OG 3.14Å; A442-S445 VanDerWaalsContact O-CB 3.25Å; A442-S445 WeakPolarHBondContact O-CB 3.44Å; A442-S445 PolarHBondContact O-N 2.96Å; A442-S445 PolarHBondContact O-OG 3.08Å; A442-E488 HydrophobicContact CB-CB 3.83Å; A442-E488 HydrophobicContact CB-CG 4.48Å; A442-E490 HydrophobicContact CB-CG 4.08Å
443	K	97.3	Very high	91.2	Very high	141 Å²	141	31.7 Å²	31.7	61%	0.613	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	130.8	166.8	-176	176.4	177.3	174.7	0	110	S445 C469 E488	K443-S445 PolarHBondContact O-N 2.89Å; K443-C469 WeakPolarHBondContact CA-O 3.37Å; K443-E488 VanDerWaalsContact N-CD 3.33Å; K443-E488 PolarHBondContact N-OE1 2.81Å; K443-E488 PolarHBondContact N-OE2 3.14Å
444	G	96.3	Very high	92.5	Very high	44 Å²	44	37.4 Å²	37.4	45%	0.454	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-4.6	-176.1	0	0	0	0	0	114.7	A442 C469	A442-G444 PolarHBondContact O-N 3.27Å; G444-C469 PolarHBondContact N-O 2.98Å
445	S	97.3	Very high	93.5	Very high	13 Å²	13	38.3 Å²	38.3	9%	0.091	20%	0.197	C	C	.	.			trans	-61.9	145.2	170.3	65.2	0	0	0	0	110.8	W441 A442 K443 C469	W441-S445 PolarHBondContact N-OG 3.3Å; A442-S445 PolarHBondContact N-OG 2.84Å; A442-S445 VanDerWaalsContact N-OG 3.14Å; A442-S445 VanDerWaalsContact O-CB 3.25Å; A442-S445 WeakPolarHBondContact O-CB 3.44Å; A442-S445 PolarHBondContact O-N 2.96Å; A442-S445 PolarHBondContact O-OG 3.08Å; K443-S445 PolarHBondContact O-N 2.89Å; S445-C469 WeakPolarHBondContact O-CB 3.4Å; S445-C469 PolarHBondContact O-N 3.25Å; S445-C469 WeakPolarHBondContact OG-CB 3.42Å
446	S	97.7	Very high	93.8	Very high	25 Å²	25	37.7 Å²	37.7	18%	0.175	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.8	-175.1	-74.1	0	0	0	0	112.1	I467 T493 A494	S446-I467 CarbonylContact C-O 3.02Å; S446-I467 WeakPolarHBondContact CA-O 3.08Å; S446-T493 WeakPolarHBondContact O-CA 3.4Å; S446-T493 WeakPolarHBondContact O-CG2 3.34Å; S446-A494 PolarHBondContact O-N 3.1Å
447	V	97.4	Very high	93.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.6	165.4	-177.9	0	0	0	0	108.9	L423 K438 L449 T466 I467 C469 A494	L423-V447 HydrophobicContact CD1-CG1 4.05Å; L423-V447 HydrophobicContact CD2-CB 4.18Å; L423-V447 HydrophobicContact CD2-CG2 3.73Å; L423-V447 HydrophobicContact CG-CG1 4.49Å; L423-V447 HydrophobicContact CG-CG2 4.22Å; K438-V447 HydrophobicContact CB-CG1 3.55Å; K438-V447 HydrophobicContact CB-CG2 4.36Å; K438-V447 HydrophobicContact CG-CG1 3.72Å; V447-L449 HydrophobicContact CG1-CD2 3.9Å; V447-L449 HydrophobicContact CG1-CG 4.28Å; V447-T466 WeakPolarHBondContact O-CA 3.4Å; V447-I467 HydrophobicContact CB-CB 4.37Å; V447-I467 PolarHBondContact N-O 3.41Å; V447-I467 PolarHBondContact O-N 3.28Å; V447-C469 VanDerWaalsContact CG2-SG 3.59Å; V447-A494 CarbonylContact C-O 3.56Å; V447-A494 VanDerWaalsContact CA-O 3.26Å; V447-A494 WeakPolarHBondContact CA-O 3.24Å; V447-A494 HydrophobicContact CG2-CB 4.23Å
448	V	96.6	Very high	93.3	Very high	26 Å²	26	42.4 Å²	42.4	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119	-177.6	-177	0	0	0	0	109.6	F450 T466 T493 A494 T495 D496	V448-F450 HydrophobicContact CG1-CD2 4.32Å; V448-F450 HydrophobicContact CG1-CE2 3.54Å; V448-F450 HydrophobicContact CG1-CZ 4.03Å; V448-T466 HydrophobicContact CG2-CG2 4.12Å; V448-T493 HydrophobicContact CG2-CG2 3.68Å; V448-A494 PolarHBondContact N-O 3.44Å; V448-T495 HydrophobicContact CB-CG2 3.87Å; V448-T495 HydrophobicContact CG1-CG2 4.09Å; V448-T495 CarbonylContact O-C 3.56Å; V448-T495 WeakPolarHBondContact O-CA 2.87Å; V448-D496 PolarHBondContact O-N 3.36Å
449	L	95.2	Very high	92.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.6	-172.9	-62.6	175.2	0	0	0	112.3	L369 F385 A425 K438 V447 R451 K464 G465 I467 D496	L369-L449 HydrophobicContact CD1-CB 4.29Å; L369-L449 HydrophobicContact CD1-CD1 4.39Å; F385-L449 HydrophobicContact CE1-CD1 4.36Å; F385-L449 HydrophobicContact CZ-CD1 4.4Å; A425-L449 HydrophobicContact CB-CD1 3.39Å; K438-L449 HydrophobicContact CG-CD2 4.47Å; V447-L449 HydrophobicContact CG1-CD2 3.9Å; V447-L449 HydrophobicContact CG1-CG 4.28Å; L449-R451 HydrophobicContact CB-CG 4.49Å; L449-K464 WeakPolarHBondContact O-CA 3.04Å; L449-G465 PolarHBondContact N-O 3.34Å; L449-G465 PolarHBondContact O-N 3.1Å; L449-I467 HydrophobicContact CD1-CD1 3.53Å; L449-I467 HydrophobicContact CD1-CG1 4.21Å; L449-D496 WeakPolarHBondContact CA-OD2 3.08Å; L449-D496 WeakPolarHBondContact CD2-OD2 3.25Å
450	F	92.9	Very high	92.5	Very high	21 Å²	21	47 Å²	47	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	99.7	169.6	-62.2	-87.4	0	0	0	107.7	V448 L462 Y463 K464 T495 D496 L498 V499	V448-F450 HydrophobicContact CG1-CD2 4.32Å; V448-F450 HydrophobicContact CG1-CE2 3.54Å; V448-F450 HydrophobicContact CG1-CZ 4.03Å; F450-L462 HydrophobicContact CB-CD1 4.33Å; F450-Y463 WeakPolarHBondContact CA-O 3.2Å; F450-K464 HydrophobicContact CD1-CB 4.3Å; F450-K464 HydrophobicContact CD1-CD 4.35Å; F450-K464 HydrophobicContact CD1-CG 3.99Å; F450-K464 HydrophobicContact CE1-CB 4.4Å; F450-K464 HydrophobicContact CE1-CD 3.64Å; F450-K464 HydrophobicContact CE1-CG 3.66Å; F450-K464 HydrophobicContact CZ-CD 4.32Å; F450-K464 HydrophobicContact CZ-CG 4.29Å; F450-T495 HydrophobicContact CE2-CG2 4.1Å; F450-D496 HydrophobicContact CB-CB 4.03Å; F450-D496 HydrophobicContact CD2-CB 3.99Å; F450-D496 PolarHBondContact N-OD2 3.02Å; F450-L498 HydrophobicContact CD2-CD2 4.15Å; F450-L498 HydrophobicContact CE1-CD2 3.89Å; F450-L498 HydrophobicContact CE2-CD2 3.5Å; F450-L498 HydrophobicContact CZ-CD2 3.36Å; F450-V499 HydrophobicContact CB-CG2 3.87Å
451	R	91.7	Very high	92.1	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129	-169.2	-67.2	-84.6	-177.5	-98.4	-3.3	110.8	L369 S433 G434 A436 L449 Y463 D496	L369-R451 HydrophobicContact CD1-CB 3.64Å; L369-R451 HydrophobicContact CD1-CG 3.81Å; L369-R451 HydrophobicContact CD2-CB 4.08Å; S433-R451 PolarHBondContact O-NE 3.24Å; S433-R451 PolarHBondContact O-NH1 3.42Å; S433-R451 PolarHBondContact O-NH2 2.04Å; S433-R451 VanDerWaalsContact O-NH2 3.14Å; S433-R451 PolarHBondContact OG-NH1 2.87Å; G434-R451 WeakPolarHBondContact O-CD 3.49Å; A436-R451 PolarHBondContact O-NH2 3.32Å; L449-R451 HydrophobicContact CB-CG 4.49Å; R451-Y463 PolarHBondContact N-O 3.24Å; R451-Y463 PolarHBondContact O-N 2.85Å; R451-D496 VanDerWaalsContact CZ-CG 3.42Å; R451-D496 IonicContact CZ-OD1 2.83Å; R451-D496 IonicContact CZ-OD2 2.72Å; R451-D496 IonicContact NE-OD2 3.16Å; R451-D496 IonicContact NH1-OD1 2.74Å; R451-D496 PolarHBondContact NH1-OD1 3.2Å; R451-D496 IonicContact NH1-OD2 2.71Å; R451-D496 PolarHBondContact NH1-OD2 2.95Å; R451-D496 IonicContact NH2-OD1 2.98Å; R451-D496 PolarHBondContact NH2-OD1 3.07Å; R451-D496 IonicContact NH2-OD2 3.63Å; R451-D496 PolarHBondContact NH2-OD2 3.35Å
452	Y	89.9	Confident	91.9	Very high	38 Å²	38	44 Å²	44	15%	0.149	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.7	167.2	-78.7	-77.3	0	0	0	110.2	G427 I428 M460 N461 L462 V499 S500 W503	G427-Y452 WeakPolarHBondContact CA-O 3.38Å; I428-Y452 WeakPolarHBondContact CD1-O 3.28Å; I428-Y452 WeakPolarHBondContact CG1-O 3.22Å; I428-Y452 PolarHBondContact N-O 3.46Å; I428-Y452 VanDerWaalsContact N-O 3.15Å; Y452-M460 HydrophobicContact CD1-CG 3.97Å; Y452-M460 HydrophobicContact CD1-SD 4.23Å; Y452-N461 WeakPolarHBondContact CA-O 3.36Å; Y452-L462 HydrophobicContact CD1-CB 4.36Å; Y452-L462 HydrophobicContact CE1-CB 4.13Å; Y452-V499 HydrophobicContact CE2-CB 4.1Å; Y452-V499 HydrophobicContact CE2-CG2 4.04Å; Y452-S500 PolarHBondContact OH-O 3.36Å; Y452-W503 PolarHBondContact OH-O 2.94Å
453	Q	88.2	Confident	91.7	Very high	27 Å²	27	43.8 Å²	43.8	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.1	175.5	179.8	151.8	-1.4	0	0	110.1	L369 S426 N461 Y463	L369-Q453 HydrophobicContact CD2-CB 4.43Å; L369-Q453 VanDerWaalsContact CD2-OE1 3.23Å; S426-Q453 VanDerWaalsContact OG-CD 3.26Å; S426-Q453 PolarHBondContact OG-NE2 3.47Å; S426-Q453 VanDerWaalsContact OG-NE2 3.16Å; S426-Q453 PolarHBondContact OG-OE1 2.9Å; Q453-N461 PolarHBondContact N-O 2.65Å; Q453-N461 PolarHBondContact O-N 2.76Å; Q453-Y463 HydrophobicContact CB-CD2 3.87Å; Q453-Y463 HydrophobicContact CB-CE2 3.83Å; Q453-Y463 HydrophobicContact CG-CE2 4.46Å
454	K	88.2	Confident	91.6	Very high	131 Å²	131	41.5 Å²	41.5	57%	0.57	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.6	168.6	-68.1	-175.4	177.8	-177.1	0	109.5	S459 M460	K454-S459 CarbonylContact C-O 3.52Å; K454-S459 VanDerWaalsContact CA-O 3.28Å; K454-S459 WeakPolarHBondContact CA-O 3.48Å; K454-M460 HydrophobicContact CG-CE 3.76Å
455	D	88.2	Confident	91.6	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.102	21%	0.211	C	C	.	.			trans	-74.6	179.2	166.5	67.8	15.7	0	0	0	111.6	D365 K387 H457 G458 S459 N461	D365-D455 WeakPolarHBondContact OD1-CB 3.44Å; K387-D455 HydrophobicContact CD-CB 4.34Å; K387-D455 IonicContact NZ-OD2 3.61Å; D455-H457 PolarHBondContact O-N 3.24Å; D455-H457 WeakPolarHBondContact OD1-CA 3.2Å; D455-H457 PolarHBondContact OD1-N 3Å; D455-G458 WeakPolarHBondContact O-CA 3.3Å; D455-G458 PolarHBondContact O-N 3.24Å; D455-G458 PolarHBondContact OD1-N 3Å; D455-G458 VanDerWaalsContact OD1-N 3.12Å; D455-S459 PolarHBondContact N-O 2.85Å; D455-S459 WeakPolarHBondContact OD1-CB 3.4Å; D455-S459 PolarHBondContact OD1-N 2.87Å; D455-N461 PolarHBondContact OD2-ND2 3.02Å
456	S	84.5	Confident	91.6	Very high	58 Å²	58	39.6 Å²	39.6	41%	0.406	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.3	178.6	51.2	0	0	0	0	113.8	D365 G458	D365-S456 WeakPolarHBondContact OD1-CB 3.08Å; D365-S456 PolarHBondContact OD1-N 2.78Å; D365-S456 PolarHBondContact OD1-OG 3.39Å; S456-G458 VanDerWaalsContact C-N 3.35Å
457	H	86.6	Confident	91.6	Very high	164 Å²	164	38.4 Å²	38.4	76%	0.759	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	2.3	173.9	-61	-64.7	0	0	0	113.1	D455 S459	D455-H457 PolarHBondContact O-N 3.24Å; D455-H457 WeakPolarHBondContact OD1-CA 3.2Å; D455-H457 PolarHBondContact OD1-N 3Å; H457-S459 VanDerWaalsContact C-N 3.31Å
458	G	86.4	Confident	91.6	Very high	39 Å²	39	40.7 Å²	40.7	40%	0.402	22%	0.215	S	C	.	.	S	Bend	trans	82.1	3.4	-179	0	0	0	0	0	114.6	D455 S456	D455-G458 WeakPolarHBondContact O-CA 3.3Å; D455-G458 PolarHBondContact O-N 3.24Å; D455-G458 PolarHBondContact OD1-N 3Å; D455-G458 VanDerWaalsContact OD1-N 3.12Å; S456-G458 VanDerWaalsContact C-N 3.35Å
459	S	87.6	Confident	91.7	Very high	64 Å²	64	39.7 Å²	39.7	45%	0.448	21%	0.209	S	C	.	.			trans	-77.2	138.7	-178.6	-64.4	0	0	0	0	111.4	K454 D455 H457 N461	K454-S459 CarbonylContact C-O 3.52Å; K454-S459 VanDerWaalsContact CA-O 3.28Å; K454-S459 WeakPolarHBondContact CA-O 3.48Å; D455-S459 PolarHBondContact N-O 2.85Å; D455-S459 WeakPolarHBondContact OD1-CB 3.4Å; D455-S459 PolarHBondContact OD1-N 2.87Å; H457-S459 VanDerWaalsContact C-N 3.31Å; S459-N461 PolarHBondContact O-N 3.01Å; S459-N461 PolarHBondContact O-ND2 3.21Å
460	M	87.7	Confident	91.8	Very high	93 Å²	93	39.7 Å²	39.7	46%	0.458	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.4	-177.8	-169.5	58.9	56.9	0	0	111.2	I428 Y452 K454	I428-M460 HydrophobicContact CD1-CE 3.24Å; I428-M460 HydrophobicContact CD1-SD 3.08Å; I428-M460 WeakPolarHBondContact CD1-SD 3.45Å; Y452-M460 HydrophobicContact CD1-CG 3.97Å; Y452-M460 HydrophobicContact CD1-SD 4.23Å; K454-M460 HydrophobicContact CG-CE 3.76Å
461	N	90.4	Very high	91.9	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158.4	179	-60.3	-61.9	0	0	0	111.3	K387 S389 Y452 Q453 D455 S459 Y463	K387-N461 HydrophobicContact CD-CB 4.08Å; K387-N461 HydrophobicContact CG-CB 3.69Å; S389-N461 WeakPolarHBondContact CA-OD1 3.48Å; S389-N461 VanDerWaalsContact CB-OD1 3.31Å; S389-N461 WeakPolarHBondContact CB-OD1 3.48Å; S389-N461 PolarHBondContact OG-OD1 3.22Å; S389-N461 VanDerWaalsContact OG-OD1 3.11Å; Y452-N461 WeakPolarHBondContact CA-O 3.36Å; Q453-N461 PolarHBondContact N-O 2.65Å; Q453-N461 PolarHBondContact O-N 2.76Å; D455-N461 PolarHBondContact OD2-ND2 3.02Å; S459-N461 PolarHBondContact O-N 3.01Å; S459-N461 PolarHBondContact O-ND2 3.21Å; N461-Y463 HydrophobicContact CB-CE2 4Å
462	L	91.9	Very high	92.2	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.6	174.7	175.1	63.8	0	0	0	109.4	L388 F450 Y452 V499 P501	L388-L462 WeakPolarHBondContact CA-O 3.4Å; L388-L462 HydrophobicContact CB-CB 4.34Å; L388-L462 WeakPolarHBondContact CB-O 3.45Å; L388-L462 HydrophobicContact CD1-CD2 4.27Å; L388-L462 PolarHBondContact N-O 2.82Å; L388-L462 PolarHBondContact O-N 3.41Å; F450-L462 HydrophobicContact CB-CD1 4.33Å; Y452-L462 HydrophobicContact CD1-CB 4.36Å; Y452-L462 HydrophobicContact CE1-CB 4.13Å; L462-V499 HydrophobicContact CD1-CG2 3.45Å; L462-V499 VanDerWaalsContact CD1-CG2 3.45Å; L462-V499 HydrophobicContact CD2-CG2 4.05Å; L462-V499 WeakPolarHBondContact CD2-O 3.48Å; L462-V499 HydrophobicContact CG-CG2 4.41Å; L462-P501 HydrophobicContact CB-CB 3.99Å; L462-P501 HydrophobicContact CD2-CB 4.04Å; L462-P501 HydrophobicContact CD2-CG 4.42Å
463	Y	93.8	Very high	92.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.7	174.7	-68.6	-106.3	0	0	0	109.8	Y367 L369 V386 K387 F450 R451 Q453 N461	Y367-Y463 HydrophobicContact CD1-CE1 4.14Å; Y367-Y463 HydrophobicContact CG-CE1 4.46Å; L369-Y463 HydrophobicContact CD2-CD1 4.46Å; L369-Y463 HydrophobicContact CD2-CD2 4.45Å; L369-Y463 HydrophobicContact CD2-CG 3.97Å; L369-Y463 HydrophobicContact CG-CG 4.49Å; V386-Y463 VanDerWaalsContact O-CA 3.31Å; V386-Y463 WeakPolarHBondContact O-CA 3.45Å; K387-Y463 HydrophobicContact CB-CD1 4.05Å; K387-Y463 HydrophobicContact CB-CE1 3.68Å; K387-Y463 HydrophobicContact CD-CE1 4.06Å; K387-Y463 HydrophobicContact CD-CE2 4.27Å; K387-Y463 WeakPolarHBondContact CD-OH 3.35Å; K387-Y463 HydrophobicContact CG-CD1 4.45Å; K387-Y463 HydrophobicContact CG-CE1 3.87Å; K387-Y463 HydrophobicContact CG-CE2 4.02Å; F450-Y463 WeakPolarHBondContact CA-O 3.2Å; R451-Y463 PolarHBondContact N-O 3.24Å; R451-Y463 PolarHBondContact O-N 2.85Å; Q453-Y463 HydrophobicContact CB-CD2 3.87Å; Q453-Y463 HydrophobicContact CB-CE2 3.83Å; Q453-Y463 HydrophobicContact CG-CE2 4.46Å; N461-Y463 HydrophobicContact CB-CE2 4Å
464	K	94.6	Very high	92.8	Very high	94 Å²	94	45.3 Å²	45.3	41%	0.409	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.2	-178.6	179	-169.5	177.8	-172.7	0	110.2	F385 V386 L449 F450	F385-K464 WeakPolarHBondContact CA-O 3.2Å; V386-K464 HydrophobicContact CG2-CB 4Å; V386-K464 PolarHBondContact N-O 3.22Å; V386-K464 PolarHBondContact O-N 3.26Å; L449-K464 WeakPolarHBondContact O-CA 3.04Å; F450-K464 HydrophobicContact CD1-CB 4.3Å; F450-K464 HydrophobicContact CD1-CD 4.35Å; F450-K464 HydrophobicContact CD1-CG 3.99Å; F450-K464 HydrophobicContact CE1-CB 4.4Å; F450-K464 HydrophobicContact CE1-CD 3.64Å; F450-K464 HydrophobicContact CE1-CG 3.66Å; F450-K464 HydrophobicContact CZ-CD 4.32Å; F450-K464 HydrophobicContact CZ-CG 4.29Å
465	G	96.1	Very high	93.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	174	172.5	0	0	0	0	0	112.3	L449	L449-G465 PolarHBondContact N-O 3.34Å; L449-G465 PolarHBondContact O-N 3.1Å
466	T	97.6	Very high	93.6	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.7	-178.5	-53.5	0	0	0	0	110	Q381 D382 T383 V447 V448	Q381-T466 WeakPolarHBondContact CA-O 3.24Å; D382-T466 HydrophobicContact CB-CG2 3.92Å; D382-T466 PolarHBondContact N-O 3.12Å; T383-T466 WeakPolarHBondContact OG1-CB 3.38Å; T383-T466 PolarHBondContact OG1-N 2.99Å; T383-T466 PolarHBondContact OG1-OG1 2.01Å; V447-T466 WeakPolarHBondContact O-CA 3.4Å; V448-T466 HydrophobicContact CG2-CG2 4.12Å
467	I	98.1	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.2	175.5	-56.7	171.2	0	0	0	108.9	F379 E380 F385 Y412 L423 S446 V447 L449	F379-I467 HydrophobicContact CB-CG2 3.48Å; F379-I467 VanDerWaalsContact CB-CG2 3.48Å; F379-I467 HydrophobicContact CD1-CG2 4.17Å; F379-I467 HydrophobicContact CG-CG2 4.15Å; E380-I467 WeakPolarHBondContact O-CG2 3.42Å; F385-I467 HydrophobicContact CE2-CG1 4.41Å; F385-I467 HydrophobicContact CZ-CD1 4.44Å; F385-I467 HydrophobicContact CZ-CG1 3.87Å; Y412-I467 HydrophobicContact CD1-CD1 3.65Å; Y412-I467 HydrophobicContact CD2-CD1 4.04Å; Y412-I467 HydrophobicContact CE1-CD1 3.3Å; Y412-I467 HydrophobicContact CE1-CG1 4.19Å; Y412-I467 HydrophobicContact CE2-CD1 3.72Å; Y412-I467 HydrophobicContact CE2-CG1 4.07Å; Y412-I467 HydrophobicContact CE2-CG2 4.28Å; Y412-I467 HydrophobicContact CG-CD1 3.98Å; L423-I467 HydrophobicContact CD1-CD1 3.87Å; L423-I467 HydrophobicContact CD2-CB 4.35Å; L423-I467 HydrophobicContact CD2-CD1 4.43Å; L423-I467 HydrophobicContact CD2-CG2 3.87Å; S446-I467 CarbonylContact C-O 3.02Å; S446-I467 WeakPolarHBondContact CA-O 3.08Å; V447-I467 HydrophobicContact CB-CB 4.37Å; V447-I467 PolarHBondContact N-O 3.41Å; V447-I467 PolarHBondContact O-N 3.28Å; L449-I467 HydrophobicContact CD1-CD1 3.53Å; L449-I467 HydrophobicContact CD1-CG1 4.21Å
468	L	97.7	Very high	94.3	Very high	48 Å²	48	35.5 Å²	35.5	25%	0.251	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.8	170.3	-63.4	177	0	0	0	110.2	E380 D382	E380-L468 HydrophobicContact CB-CB 4.28Å; E380-L468 PolarHBondContact O-N 2.89Å; D382-L468 HydrophobicContact CB-CD1 4.21Å; D382-L468 HydrophobicContact CB-CD2 3.77Å; D382-L468 HydrophobicContact CB-CG 3.77Å
469	C	98.1	Very high	94.5	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.034	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-77.9	135.1	178.3	-77.1	0	0	0	0	112.3	C440 K443 G444 S445 V447	C440-C469 WeakPolarHBondContact CA-SG 3.25Å; C440-C469 HydrophobicContact CB-CB 3.47Å; C440-C469 VanDerWaalsContact CB-CB 3.47Å; C440-C469 WeakPolarHBondContact CB-SG 2.97Å; C440-C469 WeakPolarHBondContact SG-CB 3.16Å; C440-C469 CovalentContact SG-SG 2.04Å; C440-C469 PolarHBondContact SG-SG 3.17Å; K443-C469 WeakPolarHBondContact CA-O 3.37Å; G444-C469 PolarHBondContact N-O 2.98Å; S445-C469 WeakPolarHBondContact O-CB 3.4Å; S445-C469 PolarHBondContact O-N 3.25Å; S445-C469 WeakPolarHBondContact OG-CB 3.42Å; V447-C469 VanDerWaalsContact CG2-SG 3.59Å
470	P	97.3	Very high	94.8	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.013	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-68.2	172.8	159	25.8	-26	0	0	0	111.2	F379 L421 E474 I475	F379-P470 HydrophobicContact CD1-CG 4.05Å; F379-P470 VanDerWaalsContact CE1-CD 3.42Å; F379-P470 HydrophobicContact CE1-CG 3.81Å; L421-P470 HydrophobicContact CD2-CG 3.72Å; P470-E474 WeakPolarHBondContact CB-OE2 3.46Å; P470-I475 HydrophobicContact CB-CD1 4.39Å; P470-I475 HydrophobicContact CG-CD1 3.47Å; P470-I475 VanDerWaalsContact CG-CD1 3.47Å; P470-I475 HydrophobicContact CG-CG1 4.09Å
471	S	96.5	Very high	94.8	Very high	17 Å²	17	40.1 Å²	40.1	12%	0.119	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-67	152.3	168.4	70.9	0	0	0	0	110.2	Q473 E474 E488	S471-Q473 PolarHBondContact O-N 3.23Å; S471-E474 PolarHBondContact O-N 2.83Å; S471-E474 WeakPolarHBondContact OG-CB 3.41Å; S471-E474 PolarHBondContact OG-N 2.85Å; S471-E474 VanDerWaalsContact OG-N 3.1Å; S471-E488 WeakPolarHBondContact CA-OE1 3.25Å; S471-E488 WeakPolarHBondContact CB-OE1 3.12Å
472	C	97.5	Very high	95	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-40.7	172.7	175	0	0	0	0	111	L421 E474 I475 C476 C485	L421-C472 HydrophobicContact CB-CB 4.3Å; C472-E474 VanDerWaalsContact C-N 3.32Å; C472-E474 PolarHBondContact O-N 3.33Å; C472-I475 PolarHBondContact O-N 3.44Å; C472-C476 VanDerWaalsContact O-CB 3.31Å; C472-C476 WeakPolarHBondContact O-CB 3.37Å; C472-C476 PolarHBondContact O-N 2.89Å; C472-C485 HydrophobicContact CB-CB 3.66Å; C472-C485 WeakPolarHBondContact CB-SG 3.28Å; C472-C485 PolarHBondContact O-SG 2.59Å; C472-C485 WeakPolarHBondContact SG-CB 3.45Å; C472-C485 CovalentContact SG-SG 2.04Å; C472-C485 PolarHBondContact SG-SG 2.9Å
473	Q	95.8	Very high	95.3	Very high	112 Å²	112	47.7 Å²	47.7	52%	0.523	25%	0.246	S	C	.	.	I	π-helix	trans	-64.2	-36.6	-177.7	-57.2	-175.6	-58.2	0	0	112.5	S471 I475 E477 C485	S471-Q473 PolarHBondContact O-N 3.23Å; Q473-I475 PolarHBondContact O-N 3.46Å; Q473-E477 WeakPolarHBondContact CG-OE2 3.47Å; Q473-E477 PolarHBondContact NE2-OE2 2.75Å; Q473-C485 HydrophobicContact CG-CB 4.01Å; Q473-C485 PolarHBondContact N-SG 2.94Å; Q473-C485 VanDerWaalsContact N-SG 3.41Å
474	E	94.6	Very high	95.4	Very high	66 Å²	66	54.4 Å²	54.4	31%	0.308	28%	0.275	S	S	.	.	I	π-helix	trans	-62.5	-26.9	-178.6	-178.9	-179.1	170.8	0	0	113	R285 P470 S471 C472 V478	R285-E474 IonicContact CZ-OE1 3.46Å; R285-E474 IonicContact NE-OE1 2.76Å; R285-E474 PolarHBondContact NE-OE1 2.83Å; R285-E474 IonicContact NE-OE2 3.8Å; R285-E474 IonicContact NH2-OE1 3.83Å; R285-E474 PolarHBondContact NH2-OE1 2.91Å; R285-E474 IonicContact NH2-OE2 2.79Å; P470-E474 WeakPolarHBondContact CB-OE2 3.46Å; S471-E474 PolarHBondContact O-N 2.83Å; S471-E474 WeakPolarHBondContact OG-CB 3.41Å; S471-E474 PolarHBondContact OG-N 2.85Å; S471-E474 VanDerWaalsContact OG-N 3.1Å; C472-E474 VanDerWaalsContact C-N 3.32Å; C472-E474 PolarHBondContact O-N 3.33Å; E474-V478 WeakPolarHBondContact O-CG2 3.27Å
475	I	95.7	Very high	95.5	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.036	26%	0.263	C	S	.	.	I	π-helix	trans	-109.7	-58.8	178.8	-63.1	-172.6	0	0	0	110.9	R377 F379 L421 P470 C472 Q473 V478 E479	R377-I475 HydrophobicContact CB-CD1 4.46Å; F379-I475 HydrophobicContact CE1-CD1 4.34Å; F379-I475 HydrophobicContact CE2-CD1 4.49Å; F379-I475 HydrophobicContact CZ-CD1 3.92Å; L421-I475 HydrophobicContact CD1-CB 4.35Å; L421-I475 HydrophobicContact CD1-CD1 4.35Å; L421-I475 HydrophobicContact CD1-CG2 4.16Å; L421-I475 HydrophobicContact CD2-CD1 3.99Å; P470-I475 HydrophobicContact CB-CD1 4.39Å; P470-I475 HydrophobicContact CG-CD1 3.47Å; P470-I475 VanDerWaalsContact CG-CD1 3.47Å; P470-I475 HydrophobicContact CG-CG1 4.09Å; C472-I475 PolarHBondContact O-N 3.44Å; Q473-I475 PolarHBondContact O-N 3.46Å; I475-V478 PolarHBondContact O-N 3.49Å; I475-E479 WeakPolarHBondContact O-CG 3.17Å; I475-E479 PolarHBondContact O-N 2.88Å; I475-E479 VanDerWaalsContact O-N 3.1Å
476	C	96.9	Very high	95.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	28%	0.276	C	S	.	.	I	π-helix	trans	-72.1	-43.9	-165.1	-63.6	0	0	0	0	113.5	C416 C472 V478 E479 D480 F483	C416-C476 HydrophobicContact CB-CB 3.64Å; C416-C476 WeakPolarHBondContact CB-SG 3.39Å; C416-C476 WeakPolarHBondContact SG-CA 3.31Å; C416-C476 WeakPolarHBondContact SG-CB 3.4Å; C416-C476 CovalentContact SG-SG 2.03Å; C416-C476 PolarHBondContact SG-SG 3.06Å; C472-C476 VanDerWaalsContact O-CB 3.31Å; C472-C476 WeakPolarHBondContact O-CB 3.37Å; C472-C476 PolarHBondContact O-N 2.89Å; C476-V478 VanDerWaalsContact C-N 3.28Å; C476-V478 PolarHBondContact O-N 3.34Å; C476-E479 PolarHBondContact O-N 2.99Å; C476-D480 PolarHBondContact O-N 3.28Å; C476-F483 HydrophobicContact CB-CD1 3.44Å; C476-F483 VanDerWaalsContact CB-CD1 3.44Å; C476-F483 HydrophobicContact CB-CE1 3.61Å; C476-F483 HydrophobicContact CB-CG 4.17Å; C476-F483 HydrophobicContact CB-CZ 4.46Å
477	E	94.7	Very high	95.5	Very high	46 Å²	46	57.1 Å²	57.1	22%	0.215	31%	0.305	C	S	.	.	I	π-helix	trans	-77.2	-18	-178.8	-58.2	-173.3	161.4	0	0	112.2	Q473 N481 C485	Q473-E477 WeakPolarHBondContact CG-OE2 3.47Å; Q473-E477 PolarHBondContact NE2-OE2 2.75Å; E477-N481 PolarHBondContact O-OD1 3.22Å; E477-C485 PolarHBondContact OE1-N 3.05Å
478	V	91	Very high	95.4	Very high	111 Å²	111	60.7 Å²	60.7	67%	0.673	32%	0.322	S	S	*	.	H	α-helix	trans	-79	-35.1	172.4	176.8	0	0	0	0	111.2	E474 I475 C476	E474-V478 WeakPolarHBondContact O-CG2 3.27Å; I475-V478 PolarHBondContact O-N 3.49Å; C476-V478 VanDerWaalsContact C-N 3.28Å; C476-V478 PolarHBondContact O-N 3.34Å
479	E	90.3	Very high	95.4	Very high	86 Å²	86	61 Å²	61	40%	0.402	33%	0.326	S	S	.	.	H	α-helix	trans	-78.7	-38.2	178.3	-74.1	-179.5	170.2	0	0	112.8	R377 H414 I475 C476	R377-E479 IonicContact CZ-OE1 2.69Å; R377-E479 VanDerWaalsContact CZ-OE1 3.25Å; R377-E479 IonicContact NE-OE1 2.69Å; R377-E479 PolarHBondContact NE-OE1 3.07Å; R377-E479 IonicContact NH2-OE1 3.14Å; R377-E479 PolarHBondContact NH2-OE1 2.82Å; H414-E479 IonicContact CD2-OE2 3.17Å; H414-E479 IonicContact CE1-OE1 2.61Å; H414-E479 PolarHBondContact CE1-OE1 3.41Å; H414-E479 IonicContact CE1-OE2 2.79Å; H414-E479 VanDerWaalsContact NE2-CD 3.28Å; H414-E479 IonicContact NE2-OE1 3.54Å; H414-E479 PolarHBondContact NE2-OE1 3.09Å; H414-E479 VanDerWaalsContact NE2-OE1 3.1Å; H414-E479 IonicContact NE2-OE2 3.16Å; H414-E479 PolarHBondContact NE2-OE2 2.73Å; I475-E479 WeakPolarHBondContact O-CG 3.17Å; I475-E479 PolarHBondContact O-N 2.88Å; I475-E479 VanDerWaalsContact O-N 3.1Å; C476-E479 PolarHBondContact O-N 2.99Å
480	D	93.9	Very high	95.2	Very high	81 Å²	81	68.5 Å²	68.5	43%	0.433	36%	0.36	S	S	.	.			trans	-139.3	107.8	179	-179.2	2.1	0	0	0	109.7	C476 D482 F483	C476-D480 PolarHBondContact O-N 3.28Å; D480-D482 PolarHBondContact O-N 2.89Å; D480-D482 VanDerWaalsContact O-N 3.15Å; D480-D482 WeakPolarHBondContact OD1-CB 3.12Å; D480-D482 PolarHBondContact OD1-N 2.86Å; D480-F483 HydrophobicContact CB-CB 4.13Å; D480-F483 WeakPolarHBondContact O-CB 3.3Å; D480-F483 PolarHBondContact O-N 3.06Å
481	N	89.7	Confident	95	Very high	127 Å²	127	72.5 Å²	72.5	68%	0.679	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.6	179.8	-70.6	-36.5	0	0	0	112.9	E477 K484	E477-N481 PolarHBondContact O-OD1 3.22Å; N481-K484 PolarHBondContact O-NZ 2.68Å
482	D	94.6	Very high	94.9	Very high	142 Å²	142	74.8 Å²	74.8	76%	0.759	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.8	178.3	-66.6	-29.6	0	0	0	112.2	D480	D480-D482 PolarHBondContact O-N 2.89Å; D480-D482 VanDerWaalsContact O-N 3.15Å; D480-D482 WeakPolarHBondContact OD1-CB 3.12Å; D480-D482 PolarHBondContact OD1-N 2.86Å
483	F	96.3	Very high	94.9	Very high	30 Å²	30	77.6 Å²	77.6	13%	0.132	43%	0.429	C	S	.	.			trans	-67.9	136.3	171.5	-165	-91.3	0	0	0	110	C416 G419 C476 D480	C416-F483 HydrophobicContact CB-CD1 4.43Å; C416-F483 HydrophobicContact CB-CD2 4Å; C416-F483 HydrophobicContact CB-CE1 4.1Å; C416-F483 HydrophobicContact CB-CE2 3.65Å; C416-F483 HydrophobicContact CB-CG 4.36Å; C416-F483 HydrophobicContact CB-CZ 3.68Å; G419-F483 VanDerWaalsContact CA-CZ 3.47Å; C476-F483 HydrophobicContact CB-CD1 3.44Å; C476-F483 VanDerWaalsContact CB-CD1 3.44Å; C476-F483 HydrophobicContact CB-CE1 3.61Å; C476-F483 HydrophobicContact CB-CG 4.17Å; C476-F483 HydrophobicContact CB-CZ 4.46Å; D480-F483 HydrophobicContact CB-CB 4.13Å; D480-F483 WeakPolarHBondContact O-CB 3.3Å; D480-F483 PolarHBondContact O-N 3.06Å
484	K	97.1	Very high	94.9	Very high	141 Å²	141	72.9 Å²	72.9	61%	0.613	41%	0.409	S	S	*	.			trans	-122.1	116.5	176.2	-61.9	-61.3	171.1	-137.9	0	110.1	G419 N481	G419-K484 VanDerWaalsContact CA-O 3.24Å; G419-K484 WeakPolarHBondContact CA-O 3.44Å; N481-K484 PolarHBondContact O-NZ 2.68Å
485	C	97.4	Very high	94.8	Very high	25 Å²	25	72.9 Å²	72.9	17%	0.169	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-70.9	132.5	177.8	-71.9	0	0	0	0	110.8	G419 C472 Q473 E477	G419-C485 WeakPolarHBondContact O-CA 3.32Å; C472-C485 HydrophobicContact CB-CB 3.66Å; C472-C485 WeakPolarHBondContact CB-SG 3.28Å; C472-C485 PolarHBondContact O-SG 2.59Å; C472-C485 WeakPolarHBondContact SG-CB 3.45Å; C472-C485 CovalentContact SG-SG 2.04Å; C472-C485 PolarHBondContact SG-SG 2.9Å; Q473-C485 HydrophobicContact CG-CB 4.01Å; Q473-C485 PolarHBondContact N-SG 2.94Å; Q473-C485 VanDerWaalsContact N-SG 3.41Å; E477-C485 PolarHBondContact OE1-N 3.05Å
486	A	96.8	Very high	94.6	Very high	32 Å²	32	72.7 Å²	72.7	26%	0.264	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.8	154.9	168	0	0	0	0	0	109.8	G419 E488	G419-A486 PolarHBondContact O-N 2.91Å; A486-E488 PolarHBondContact O-N 3.03Å
487	P	96.7	Very high	94.1	Very high	110 Å²	110	76.1 Å²	76.1	71%	0.714	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-51.5	137.5	176.6	-27.5	35.1	0	0	0	112.5	R420	R420-P487 VanDerWaalsContact CZ-O 3.31Å; R420-P487 PolarHBondContact NH1-O 3.43Å; R420-P487 PolarHBondContact NH2-O 2.82Å
488	E	95.9	Very high	93.5	Very high	76 Å²	76	80.7 Å²	80.7	36%	0.355	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-60.8	141.4	176	-62.5	-154.1	152.6	0	0	110.7	W441 A442 K443 S471 A486	W441-E488 WeakPolarHBondContact O-CA 3.34Å; A442-E488 HydrophobicContact CB-CB 3.83Å; A442-E488 HydrophobicContact CB-CG 4.48Å; K443-E488 VanDerWaalsContact N-CD 3.33Å; K443-E488 PolarHBondContact N-OE1 2.81Å; K443-E488 PolarHBondContact N-OE2 3.14Å; S471-E488 WeakPolarHBondContact CA-OE1 3.25Å; S471-E488 WeakPolarHBondContact CB-OE1 3.12Å; A486-E488 PolarHBondContact O-N 3.03Å
489	V	96	Very high	93.1	Very high	53 Å²	53	77.5 Å²	77.5	32%	0.321	44%	0.441	S	S	.	.			trans	-119.6	99.3	178.3	-173.1	0	0	0	0	108.1	W441 I492	W441-V489 WeakPolarHBondContact CB-O 3.34Å; W441-V489 HydrophobicContact CE3-CB 4.2Å; W441-V489 HydrophobicContact CE3-CG2 4.4Å; W441-V489 PolarHBondContact O-N 3.24Å; V489-I492 HydrophobicContact CB-CD1 4.22Å; V489-I492 HydrophobicContact CG1-CD1 3.44Å; V489-I492 VanDerWaalsContact CG1-CD1 3.44Å; V489-I492 HydrophobicContact CG1-CG1 4.04Å
490	E	94.1	Very high	92.5	Very high	164 Å²	164	75.9 Å²	75.9	77%	0.766	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	161.6	-179	-62	-178.2	-178.4	0	0	112.1	A442 I492	A442-E490 HydrophobicContact CB-CG 4.08Å; E490-I492 VanDerWaalsContact C-N 3.26Å; E490-I492 PolarHBondContact O-N 2.67Å
491	G	93.1	Very high	91.8	Very high	85 Å²	85	73.4 Å²	73.4	88%	0.876	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-4.2	175.8	0	0	0	0	0	116.1
492	I	95.8	Very high	91.2	Very high	65 Å²	65	68.1 Å²	68.1	33%	0.333	40%	0.4	S	S	.	.			trans	-95	127.1	176.9	-52.9	-177	0	0	0	110.8	W441 V489 E490	W441-I492 HydrophobicContact CB-CB 4.07Å; W441-I492 HydrophobicContact CD2-CB 4.24Å; W441-I492 HydrophobicContact CD2-CD1 4.09Å; W441-I492 HydrophobicContact CD2-CG2 4.07Å; W441-I492 HydrophobicContact CE3-CD1 4.17Å; W441-I492 HydrophobicContact CG-CB 3.75Å; W441-I492 HydrophobicContact CG-CD1 4.43Å; W441-I492 HydrophobicContact CG-CG2 3.8Å; W441-I492 VanDerWaalsContact NE1-CG2 3.34Å; V489-I492 HydrophobicContact CB-CD1 4.22Å; V489-I492 HydrophobicContact CG1-CD1 3.44Å; V489-I492 VanDerWaalsContact CG1-CD1 3.44Å; V489-I492 HydrophobicContact CG1-CG1 4.04Å; E490-I492 VanDerWaalsContact C-N 3.26Å; E490-I492 PolarHBondContact O-N 2.67Å
493	T	96.2	Very high	89.9	Confident	70 Å²	70	69 Å²	69	43%	0.429	39%	0.393	S	S	.	.			trans	-106.2	129.4	171.9	-62.8	0	0	0	0	109.8	S446 V448	S446-T493 WeakPolarHBondContact O-CA 3.4Å; S446-T493 WeakPolarHBondContact O-CG2 3.34Å; V448-T493 HydrophobicContact CG2-CG2 3.68Å
494	A	95.5	Very high	87.9	Confident	12 Å²	12	70.2 Å²	70.2	10%	0.099	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.5	174.6	0	0	0	0	0	110.2	K438 V439 S446 V447 V448	K438-A494 HydrophobicContact CB-CB 4.13Å; K438-A494 HydrophobicContact CD-CB 4.44Å; V439-A494 WeakPolarHBondContact O-CB 3.4Å; S446-A494 PolarHBondContact O-N 3.1Å; V447-A494 CarbonylContact C-O 3.56Å; V447-A494 VanDerWaalsContact CA-O 3.26Å; V447-A494 WeakPolarHBondContact CA-O 3.24Å; V447-A494 HydrophobicContact CG2-CB 4.23Å; V448-A494 PolarHBondContact N-O 3.44Å
495	T	93.9	Very high	85.6	Confident	66 Å²	66	69 Å²	69	41%	0.405	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.5	-173.6	-51.6	0	0	0	0	111.7	K438 V448 F450	K438-T495 PolarHBondContact NZ-O 3.21Å; V448-T495 HydrophobicContact CB-CG2 3.87Å; V448-T495 HydrophobicContact CG1-CG2 4.09Å; V448-T495 CarbonylContact O-C 3.56Å; V448-T495 WeakPolarHBondContact O-CA 2.87Å; F450-T495 HydrophobicContact CE2-CG2 4.1Å
496	D	91.6	Very high	83	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.016	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-70.3	150.7	162	-81.1	-36.7	0	0	0	112.5	K438 V448 L449 F450 R451 L498	K438-D496 WeakPolarHBondContact CE-OD1 3.44Å; K438-D496 IonicContact NZ-OD1 2.81Å; K438-D496 PolarHBondContact NZ-OD1 3.19Å; V448-D496 PolarHBondContact O-N 3.36Å; L449-D496 WeakPolarHBondContact CA-OD2 3.08Å; L449-D496 WeakPolarHBondContact CD2-OD2 3.25Å; F450-D496 HydrophobicContact CB-CB 4.03Å; F450-D496 HydrophobicContact CD2-CB 3.99Å; F450-D496 PolarHBondContact N-OD2 3.02Å; R451-D496 VanDerWaalsContact CZ-CG 3.42Å; R451-D496 IonicContact CZ-OD1 2.83Å; R451-D496 IonicContact CZ-OD2 2.72Å; R451-D496 IonicContact NE-OD2 3.16Å; R451-D496 IonicContact NH1-OD1 2.74Å; R451-D496 PolarHBondContact NH1-OD1 3.2Å; R451-D496 IonicContact NH1-OD2 2.71Å; R451-D496 PolarHBondContact NH1-OD2 2.95Å; R451-D496 IonicContact NH2-OD1 2.98Å; R451-D496 PolarHBondContact NH2-OD1 3.07Å; R451-D496 IonicContact NH2-OD2 3.63Å; R451-D496 PolarHBondContact NH2-OD2 3.35Å; D496-L498 PolarHBondContact O-N 3.27Å
497	P	86.1	Confident	80.2	Confident	74 Å²	74	77 Å²	77	48%	0.481	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-55.1	131.6	167.9	-21.1	32.3	0	0	0	109.9	V499	P497-V499 PolarHBondContact O-N 2.78Å
498	L	80.7	Confident	77.2	Confident	142 Å²	142	81.4 Å²	81.4	74%	0.743	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-59.2	134.1	175.7	-69.5	171.3	0	0	0	110.1	F450 D496	F450-L498 HydrophobicContact CD2-CD2 4.15Å; F450-L498 HydrophobicContact CE1-CD2 3.89Å; F450-L498 HydrophobicContact CE2-CD2 3.5Å; F450-L498 HydrophobicContact CZ-CD2 3.36Å; D496-L498 PolarHBondContact O-N 3.27Å
499	V	82.5	Confident	74.5	Confident	43 Å²	43	81.5 Å²	81.5	26%	0.261	45%	0.454	S	S	.	.			trans	-133.1	146.7	177.3	-70.8	0	0	0	0	109.2	F450 Y452 L462 P497	F450-V499 HydrophobicContact CB-CG2 3.87Å; Y452-V499 HydrophobicContact CE2-CB 4.1Å; Y452-V499 HydrophobicContact CE2-CG2 4.04Å; L462-V499 HydrophobicContact CD1-CG2 3.45Å; L462-V499 VanDerWaalsContact CD1-CG2 3.45Å; L462-V499 HydrophobicContact CD2-CG2 4.05Å; L462-V499 WeakPolarHBondContact CD2-O 3.48Å; L462-V499 HydrophobicContact CG-CG2 4.41Å; P497-V499 PolarHBondContact O-N 2.78Å
500	S	79.6	Confident	71.6	Confident	52 Å²	52	85.8 Å²	85.8	36%	0.364	47%	0.47	S	S	.	.			trans	-92.5	133.2	178.2	166.1	0	0	0	0	110.5	Y452 C502 W503	Y452-S500 PolarHBondContact OH-O 3.36Å; S500-C502 PolarHBondContact O-N 3.03Å; S500-C502 PolarHBondContact OG-N 3.18Å; S500-W503 PolarHBondContact O-N 3.35Å; S500-W503 VanDerWaalsContact OG-CD1 3.3Å
501	P	78.8	Confident	69.1	Low	30 Å²	30	83.8 Å²	83.8	20%	0.195	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.6	179.5	25.5	-34.1	0	0	0	113.9	L388 V399 L462	L388-P501 HydrophobicContact CB-CB 4.03Å; L388-P501 HydrophobicContact CB-CG 4.43Å; V399-P501 HydrophobicContact CB-CG 4.47Å; V399-P501 HydrophobicContact CG1-CG 3.94Å; V399-P501 HydrophobicContact CG2-CG 3.62Å; L462-P501 HydrophobicContact CB-CB 3.99Å; L462-P501 HydrophobicContact CD2-CB 4.04Å; L462-P501 HydrophobicContact CD2-CG 4.42Å
502	C	77.5	Confident	66.5	Low	15 Å²	15	82 Å²	82	10%	0.101	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.4	-178.4	-72.7	0	0	0	0	114.3	C390 S500	C390-C502 HydrophobicContact CB-CB 4.01Å; C390-C502 WeakPolarHBondContact CB-SG 3.26Å; C390-C502 VanDerWaalsContact SG-CA 3.53Å; C390-C502 WeakPolarHBondContact SG-CB 3.36Å; C390-C502 CovalentContact SG-SG 2.05Å; C390-C502 PolarHBondContact SG-SG 3.3Å; S500-C502 PolarHBondContact O-N 3.03Å; S500-C502 PolarHBondContact OG-N 3.18Å
503	W	66.6	Low	63.8	Low	161 Å²	161	84.9 Å²	84.9	61%	0.61	46%	0.456	S	S	*	.			trans	-116.8	112.1	-173.7	-70.6	52.4	0	0	0	111.2	Y452 S500	Y452-W503 PolarHBondContact OH-O 2.94Å; S500-W503 PolarHBondContact O-N 3.35Å; S500-W503 VanDerWaalsContact OG-CD1 3.3Å
504	S	54.7	Low	61.3	Low	55 Å²	55	84.8 Å²	84.8	39%	0.385	46%	0.458	S	S	.	.			trans	-84.8	149.7	172.1	88.7	0	0	0	0	111	S506 L507	S504-S506 PolarHBondContact O-N 2.85Å; S504-L507 PolarHBondContact O-N 2.92Å
505	K	49	Very low	58.7	Low	115 Å²	115	89.3 Å²	89.3	50%	0.5	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-2.9	-178	-74.3	178.7	173.2	175.5	0	116.9	A431 S432 L507	A431-K505 VanDerWaalsContact CA-NZ 3.28Å; S432-K505 VanDerWaalsContact OG-CE 3.31Å; S432-K505 WeakPolarHBondContact OG-CE 3.39Å; S432-K505 PolarHBondContact OG-NZ 2.83Å; K505-L507 PolarHBondContact O-N 2.93Å
506	S	41.4	Very low	56.3	Low	105 Å²	105	91.4 Å²	91.4	73%	0.734	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.5	176.4	103	0	0	0	0	113.4	S504	S504-S506 PolarHBondContact O-N 2.85Å
507	L	38	Very low	54	Low	121 Å²	121	96.6 Å²	96.6	63%	0.634	52%	0.515	S	S	*	.			trans	-114.1	84.5	169.6	-77.8	120	0	0	0	108.9	S504 K505	S504-L507 PolarHBondContact O-N 2.92Å; K505-L507 PolarHBondContact O-N 2.93Å
508	R	34.6	Very low	52.2	Low	203 Å²	203	97 Å²	97	77%	0.766	52%	0.516	S	S	*	.			trans	-57.1	129.6	153.8	-81	-171.1	-177.3	-156.2	1.7	106.4	H510	R508-H510 PolarHBondContact O-N 2.9Å
509	P	37.8	Very low	50.5	Low	78 Å²	78	97.6 Å²	97.6	51%	0.506	52%	0.515	S	S	.	.			trans	-74.7	85.1	168.7	32.6	-30.8	0	0	0	106.9	I511 A512	P509-I511 PolarHBondContact O-N 2.75Å; P509-I511 VanDerWaalsContact O-N 3.15Å; P509-A512 HydrophobicContact CB-CB 3.87Å; P509-A512 HydrophobicContact CG-CB 4.1Å; P509-A512 PolarHBondContact O-N 2.98Å
510	H	36.3	Very low	48.8	Very low	143 Å²	143	101 Å²	101	66%	0.662	53%	0.531	S	S	*	.	H	α-helix	trans	-58.8	-12	152.7	-86.8	-70.7	0	0	0	110.9	R508 S514	R508-H510 PolarHBondContact O-N 2.9Å; H510-S514 WeakPolarHBondContact O-CB 3.35Å; H510-S514 PolarHBondContact O-N 2.8Å; H510-S514 PolarHBondContact O-OG 3.34Å
511	I	40.9	Very low	47.3	Very low	121 Å²	121	101.8 Å²	101.8	62%	0.621	53%	0.534	S	S	*	.	H	α-helix	trans	-83.5	-23.5	179.4	-59.3	176.6	0	0	0	112.6	P509 L515	P509-I511 PolarHBondContact O-N 2.75Å; P509-I511 VanDerWaalsContact O-N 3.15Å; I511-L515 HydrophobicContact CG2-CD1 3.47Å; I511-L515 VanDerWaalsContact CG2-CD1 3.47Å; I511-L515 HydrophobicContact CG2-CG 4.25Å; I511-L515 WeakPolarHBondContact O-CB 3.48Å; I511-L515 PolarHBondContact O-N 2.82Å; I511-L515 VanDerWaalsContact O-N 3.12Å
512	A	39.7	Very low	45.8	Very low	49 Å²	49	107 Å²	107	41%	0.405	56%	0.555	S	S	.	*	H	α-helix	trans	-77.6	-34.6	179.1	0	0	0	0	0	113.2	P509	P509-A512 HydrophobicContact CB-CB 3.87Å; P509-A512 HydrophobicContact CG-CB 4.1Å; P509-A512 PolarHBondContact O-N 2.98Å
513	N	38.6	Very low	44.4	Very low	125 Å²	125	115.1 Å²	115.1	67%	0.668	59%	0.589	S	S	*	*	H	α-helix	trans	-80.9	-19	172.4	-80.5	-2	0	0	0	113.1
514	S	43	Very low	43.5	Very low	67 Å²	67	111.9 Å²	111.9	47%	0.469	59%	0.587	S	S	.	*	H	α-helix	trans	-85.6	-29	178	-54.1	0	0	0	0	112.7	H510 V518	H510-S514 WeakPolarHBondContact O-CB 3.35Å; H510-S514 PolarHBondContact O-N 2.8Å; H510-S514 PolarHBondContact O-OG 3.34Å; S514-V518 WeakPolarHBondContact O-CG2 3.41Å; S514-V518 PolarHBondContact O-N 3.46Å; S514-V518 VanDerWaalsContact O-N 3.12Å
515	L	40.8	Very low	43.3	Very low	107 Å²	107	114.9 Å²	114.9	56%	0.56	60%	0.598	S	S	*	*	H	α-helix	trans	-80.7	-26.2	178.1	-78.7	162.4	0	0	0	113.9	I511 Q519	I511-L515 HydrophobicContact CG2-CD1 3.47Å; I511-L515 VanDerWaalsContact CG2-CD1 3.47Å; I511-L515 HydrophobicContact CG2-CG 4.25Å; I511-L515 WeakPolarHBondContact O-CB 3.48Å; I511-L515 PolarHBondContact O-N 2.82Å; I511-L515 VanDerWaalsContact O-N 3.12Å; L515-Q519 PolarHBondContact O-N 2.87Å
516	I	45.2	Very low	43.1	Very low	111 Å²	111	117.2 Å²	117.2	57%	0.569	62%	0.615	S	S	*	*	H	α-helix	trans	-76.4	-29.5	172.5	-64.4	170.5	0	0	0	110.7	L520	I516-L520 HydrophobicContact CG2-CD1 4.18Å; I516-L520 PolarHBondContact O-N 2.81Å
517	L	43.1	Very low	43.4	Very low	111 Å²	111	116 Å²	116	58%	0.581	61%	0.612	S	S	*	*	H	α-helix	trans	-73.3	-31.8	170.9	-95	153.2	0	0	0	112.7	L520 V521	L517-L520 PolarHBondContact O-N 3.36Å; L517-V521 WeakPolarHBondContact O-CB 3.22Å; L517-V521 WeakPolarHBondContact O-CG2 3.29Å; L517-V521 PolarHBondContact O-N 3.28Å
518	V	47.9	Very low	43.9	Very low	84 Å²	84	119.9 Å²	119.9	51%	0.509	62%	0.619	S	S	.	*	H	α-helix	trans	-74.7	-27.8	177.7	173.2	0	0	0	0	112.6	S514 H522	S514-V518 WeakPolarHBondContact O-CG2 3.41Å; S514-V518 PolarHBondContact O-N 3.46Å; S514-V518 VanDerWaalsContact O-N 3.12Å; V518-H522 PolarHBondContact O-N 2.82Å
519	Q	45.1	Very low	44.5	Very low	153 Å²	153	121 Å²	121	72%	0.715	63%	0.625	S	S	*	*	H	α-helix	trans	-80.8	-23.3	172.9	-72.5	-165.1	-20.9	0	0	114.2	L515	L515-Q519 PolarHBondContact O-N 2.87Å
520	L	45.4	Very low	44.6	Very low	115 Å²	115	130.4 Å²	130.4	60%	0.602	66%	0.658	S	S	*	*	H	α-helix	trans	-85.7	-23.7	174.3	-75.6	162.9	0	0	0	113.3	I516 L517 T524	I516-L520 HydrophobicContact CG2-CD1 4.18Å; I516-L520 PolarHBondContact O-N 2.81Å; L517-L520 PolarHBondContact O-N 3.36Å; L520-T524 PolarHBondContact O-OG1 3.16Å; L520-T524 VanDerWaalsContact O-OG1 3.1Å
521	V	49.9	Very low	45	Very low	69 Å²	69	129.8 Å²	129.8	42%	0.418	66%	0.658	S	S	.	*	H	α-helix	trans	-83.7	-20.4	176.4	175.1	0	0	0	0	112.5	L517 I525	L517-V521 WeakPolarHBondContact O-CB 3.22Å; L517-V521 WeakPolarHBondContact O-CG2 3.29Å; L517-V521 PolarHBondContact O-N 3.28Å; V521-I525 HydrophobicContact CG1-CD1 4.16Å
522	H	47	Very low	45.3	Very low	139 Å²	139	130.3 Å²	130.3	64%	0.644	66%	0.66	S	S	*	*	S	Bend	trans	-83.2	-14.3	172.8	-89.9	28.2	0	0	0	114.9	V518	V518-H522 PolarHBondContact O-N 2.82Å
523	F	47.2	Very low	45.6	Very low	185 Å²	185	134.8 Å²	134.8	81%	0.811	67%	0.674	S	S	*	*	S	Bend	trans	-92.9	-5.8	174.5	-95.7	-83.5	0	0	0	114.5
524	T	47.9	Very low	46	Very low	94 Å²	94	135.4 Å²	135.4	58%	0.577	68%	0.675	S	S	*	*	S	Bend	trans	-105.6	-6.9	-179.2	38.8	0	0	0	0	114.4	L520	L520-T524 PolarHBondContact O-OG1 3.16Å; L520-T524 VanDerWaalsContact O-OG1 3.1Å
525	I	50.5	Low	46.2	Very low	117 Å²	117	139.6 Å²	139.6	60%	0.6	69%	0.688	S	S	*	*	S	Bend	trans	-98.2	-8.3	-178.4	-64.2	176.4	0	0	0	113.1	V521	V521-I525 HydrophobicContact CG1-CD1 4.16Å
526	L	45.7	Very low	46.5	Very low	164 Å²	164	141.8 Å²	141.8	86%	0.859	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	5.9	174.1	-85.8	156.7	0	0	0	114.6
527	A	47.6	Very low	46.6	Very low	81 Å²	81	144 Å²	144	67%	0.669	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	4.5	178	0	0	0	0	0	114.3
528	Y	47.7	Very low	46.9	Very low	201 Å²	201	146.5 Å²	146.5	79%	0.788	72%	0.715	S	S	*	*			trans	-124.7	61.7	178.4	-95.7	-91.3	0	0	0	110.4
529	Y	48	Very low	46.8	Very low	227 Å²	227	151.8 Å²	151.8	89%	0.89	73%	0.732	S	S	*	*			trans	-139.1	70.7	154.4	-92.3	-81.8	0	0	0	107
530	F	39.9	Very low	47	Very low	276 Å²	276	151.6 Å²	151.6	100%	1.211	73%	0.734	S	S	*	*			trans	-144.1	0	155.3	-105.1	-75.9	0	0	0	107.3

Retrieved 530 of 530 residues in 347.4 ms (Link to these results)

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